A0A087XYS0_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase 15

AlphaFold DB , UniProt , Accession A0A087XYS0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,039 aa.

						>A0A087XYS0_POEFO|A0A087XYS0
MAEGGAADLDTQRGEIAALLKTQLRKGDTWYLVDSRWFKQWKKYVGFDSWDKYQMGDQNVYPGPVDNSGLLKDGDVLAIKEHLIDELDYILVPTEGWNKLVSWYGLTEGQEPIARKVVEQGMFVKHCKVEVYLTELKLCEDSNMDNMITRRFSKADTIDMIEKEMRKLFSIPDEKETRLWNRYMSNTFEPLNKPDSTIQDAGLYQGQVLVIEQKNEDGTWPRGSMASKSSGASNLSALPKISPSSLTNNHNSSFNSRNVKNSSYSLPSSYPTYSNSYDYSEQSRHSERSGLCGLSNLGNTCFMNSAVQCLSNITPLTEYFLKDKYRDELNEDNPLGMKGEIARAYAELIKQLWSGKYSYVTPRPFKTQVGRFAPQFSGYQQQDSHELLAFLLDGLHEDLNRIRKKPYIQLKDANGRPDKVVAEEAWENHIKRNDSIIVDIFHGLFKSTLVCPVCAKVSVTFDPFCYLTLPLPMKKERTLEVYLVRLDPVAKPTQYKLTVPKVGYISDLCTSLSSLSGVPAEKMIVTDIYNHRFHRIFATNENLSSIMERDDIYVFEVAVNRVEDADHVVIPVHLREKYKQSGYNHTSTPLFGLPFLIAVPRTLSEDKLYNMLLSRLCRFVRSPVEEDEEDSEETQPPTQHTINGNATNGLLEEGSPSEMETDEQDDESSQDQELPSENENSQSEDSVGGDNELENGVVAPQLSTKGQQTAGLNRKRLFTFQFNNMGKTDFSLIKEDSKLIRFDEGHLRLSDRSYLSLDWEPEIKKKYFDETVVEDYDKHESMEYKPQKKAFFKLKDCIELFTTKEKLGAEDPWYCPNCKQHQQATKKLDLWSLPPVLVVHLKRFSYSRYMRDKLDSLVDFPLRDLDMSEFLINPNAGPCRYDLIAVSNHYGGMGGGHYTAYAKNKEDGKWYNFDDSSVSPASEDQIVSKAGYVLFYQRQDTVKGTGYFALDREEEEEEEEEEEGEDDENEAEELVERRTVSSSQGACAAAQSDEEDEPVQNKSSKKDLNQEEEEEEEEEEEEEEEEEQVSNRDITMKTN
					

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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	41	Very low	60.4	Low	250 Å²	250	96.3 Å²	96.3	100%	1.232	61%	0.612	S	S	*	*				0	120.5	0	-72.3	172.2	172.7	0	0	108.1
2	A	30.6	Very low	62.6	Low	103 Å²	103	88.6 Å²	88.6	85%	0.851	56%	0.563	S	S	*	*			trans	-142.2	126.6	158.9	0	0	0	0	0	104.6
3	E	38.6	Very low	64.4	Low	208 Å²	208	85.8 Å²	85.8	97%	0.972	54%	0.535	S	S	*	.			trans	-83.7	120.4	-173.9	-66.3	175.6	130	0	0	109.5
4	G	36.4	Very low	65.8	Low	70 Å²	70	82.6 Å²	82.6	72%	0.722	53%	0.526	S	S	*	.			trans	-154.1	79.6	-178.6	0	0	0	0	0	109.8
5	G	50.9	Low	67.3	Low	78 Å²	78	81.6 Å²	81.6	80%	0.804	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-64.1	146.1	169.2	0	0	0	0	0	110.3
6	A	61.5	Low	68.7	Low	53 Å²	53	76.6 Å²	76.6	44%	0.438	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-57.3	148.7	173.4	0	0	0	0	0	110.8	W103	A6-W103 HydrophobicContact CB-CB 3.98Å; A6-W103 HydrophobicContact CB-CG 4.15Å
7	A	73	Confident	69.7	Low	30 Å²	30	73.6 Å²	73.6	25%	0.248	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-60.6	158.3	175.8	0	0	0	0	0	111	T11 Q12 W103	A7-T11 HydrophobicContact CB-CG2 3.96Å; A7-Q12 HydrophobicContact CB-CG 4.08Å; A7-Q12 PolarHBondContact O-NE2 3.48Å; A7-W103 HydrophobicContact CB-CZ2 4.12Å
8	D	82.9	Confident	70.6	Confident	90 Å²	90	73 Å²	73	48%	0.481	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-60.4	153.8	174.3	69.5	87.5	0	0	0	111.4	D10 T11 Q12	D8-D10 VanDerWaalsContact C-N 3.27Å; D8-D10 PolarHBondContact O-N 2.74Å; D8-D10 PolarHBondContact OD1-N 3.45Å; D8-T11 VanDerWaalsContact CG-OG1 3.27Å; D8-T11 WeakPolarHBondContact O-CB 3.37Å; D8-T11 PolarHBondContact O-N 3Å; D8-T11 VanDerWaalsContact O-N 3.15Å; D8-T11 PolarHBondContact OD1-N 3.25Å; D8-T11 PolarHBondContact OD1-OG1 2.65Å; D8-T11 WeakPolarHBondContact OD2-CB 3.46Å; D8-T11 PolarHBondContact OD2-OG1 3.06Å; D8-Q12 WeakPolarHBondContact O-CG 3.22Å; D8-Q12 PolarHBondContact O-N 3.12Å
9	L	84.6	Confident	71.5	Confident	33 Å²	33	70.4 Å²	70.4	17%	0.173	45%	0.45	C	S	.	.	H	α-helix	trans	-64.9	-30.1	-170	-56.8	178.1	0	0	0	113	R13 Y44 V45 M55	L9-R13 WeakPolarHBondContact O-CB 3.34Å; L9-R13 PolarHBondContact O-N 2.75Å; L9-Y44 HydrophobicContact CD2-CD1 4.04Å; L9-Y44 HydrophobicContact CD2-CE1 3.46Å; L9-Y44 VanDerWaalsContact CD2-CE1 3.46Å; L9-V45 HydrophobicContact CD2-CG1 4.25Å; L9-M55 HydrophobicContact CB-CE 3.58Å; L9-M55 HydrophobicContact CD1-CE 4.45Å; L9-M55 HydrophobicContact CD1-CG 4.16Å
10	D	80.4	Confident	72.1	Confident	88 Å²	88	69.8 Å²	69.8	47%	0.471	44%	0.442	S	S	.	.	H	α-helix	trans	-71.7	-40.1	175.9	-72.6	-63.2	0	0	0	111.4	D8 R13 G14	D8-D10 VanDerWaalsContact C-N 3.27Å; D8-D10 PolarHBondContact O-N 2.74Å; D8-D10 PolarHBondContact OD1-N 3.45Å; D10-R13 IonicContact OD1-CZ 3.67Å; D10-R13 IonicContact OD1-NH1 2.66Å; D10-R13 PolarHBondContact OD1-NH1 3.42Å; D10-R13 IonicContact OD1-NH2 2.67Å; D10-R13 PolarHBondContact OD1-NH2 3.39Å; D10-G14 PolarHBondContact O-N 2.95Å
11	T	84.4	Confident	72.7	Confident	56 Å²	56	74.5 Å²	74.5	34%	0.344	46%	0.457	S	S	.	.	H	α-helix	trans	-63.2	-47.8	170.3	-65.4	0	0	0	0	111.4	A7 D8 R13 G14 E15	A7-T11 HydrophobicContact CB-CG2 3.96Å; D8-T11 VanDerWaalsContact CG-OG1 3.27Å; D8-T11 WeakPolarHBondContact O-CB 3.37Å; D8-T11 PolarHBondContact O-N 3Å; D8-T11 VanDerWaalsContact O-N 3.15Å; D8-T11 PolarHBondContact OD1-N 3.25Å; D8-T11 PolarHBondContact OD1-OG1 2.65Å; D8-T11 WeakPolarHBondContact OD2-CB 3.46Å; D8-T11 PolarHBondContact OD2-OG1 3.06Å; T11-R13 VanDerWaalsContact C-N 3.35Å; T11-R13 PolarHBondContact O-N 3.01Å; T11-G14 PolarHBondContact O-N 3.43Å; T11-G14 VanDerWaalsContact O-N 3.14Å; T11-E15 HydrophobicContact CG2-CG 4.12Å; T11-E15 WeakPolarHBondContact O-CG 3.43Å; T11-E15 PolarHBondContact O-N 3.16Å
12	Q	86.6	Confident	74.9	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.019	42%	0.415	C	S	.	.	H	α-helix	trans	-57.1	-47.7	177.8	-69.5	-169.9	35.7	0	0	111.8	A7 D8 I16 W41 V45 W103 Y104	A7-Q12 HydrophobicContact CB-CG 4.08Å; A7-Q12 PolarHBondContact O-NE2 3.48Å; D8-Q12 WeakPolarHBondContact O-CG 3.22Å; D8-Q12 PolarHBondContact O-N 3.12Å; Q12-I16 WeakPolarHBondContact O-CB 3.38Å; Q12-I16 WeakPolarHBondContact O-CG1 3.48Å; Q12-I16 PolarHBondContact O-N 3.07Å; Q12-W41 HydrophobicContact CB-CZ2 4.47Å; Q12-V45 HydrophobicContact CB-CG1 4.28Å; Q12-W103 HydrophobicContact CB-CE3 4.19Å; Q12-W103 HydrophobicContact CB-CH2 4Å; Q12-W103 HydrophobicContact CB-CZ3 3.74Å; Q12-W103 HydrophobicContact CG-CD2 3.9Å; Q12-W103 HydrophobicContact CG-CE3 3.68Å; Q12-W103 HydrophobicContact CG-CH2 3.86Å; Q12-W103 HydrophobicContact CG-CZ2 4.06Å; Q12-W103 HydrophobicContact CG-CZ3 3.66Å; Q12-Y104 VanDerWaalsContact OE1-CE2 3.27Å; Q12-Y104 PolarHBondContact OE1-OH 2.96Å
13	R	85.8	Confident	77.4	Confident	53 Å²	53	68.2 Å²	68.2	20%	0.2	41%	0.41	C	S	.	.	H	α-helix	trans	-60	-47.6	175.1	-175.6	-176.2	68.3	-122.4	-7.4	111	L9 D10 T11 A17 V45 G46 F47	L9-R13 WeakPolarHBondContact O-CB 3.34Å; L9-R13 PolarHBondContact O-N 2.75Å; D10-R13 IonicContact OD1-CZ 3.67Å; D10-R13 IonicContact OD1-NH1 2.66Å; D10-R13 PolarHBondContact OD1-NH1 3.42Å; D10-R13 IonicContact OD1-NH2 2.67Å; D10-R13 PolarHBondContact OD1-NH2 3.39Å; T11-R13 VanDerWaalsContact C-N 3.35Å; T11-R13 PolarHBondContact O-N 3.01Å; R13-A17 WeakPolarHBondContact O-CB 3.46Å; R13-A17 PolarHBondContact O-N 3.17Å; R13-V45 HydrophobicContact CB-CB 4.31Å; R13-V45 HydrophobicContact CB-CG2 4.05Å; R13-V45 HydrophobicContact CG-CG2 4.37Å; R13-V45 PolarHBondContact NH1-O 3.32Å; R13-G46 WeakPolarHBondContact CD-O 3.33Å; R13-F47 HydrophobicContact CG-CB 4.43Å; R13-F47 HydrophobicContact CG-CD2 3.83Å; R13-F47 HydrophobicContact CG-CE2 4.45Å; R13-F47 HydrophobicContact CG-CG 4.28Å
14	G	84.4	Confident	79.7	Confident	40 Å²	40	61 Å²	61	41%	0.412	38%	0.379	S	S	.	.	H	α-helix	trans	-62.7	-48	-176.8	0	0	0	0	0	113.7	D10 T11 A18	D10-G14 PolarHBondContact O-N 2.95Å; T11-G14 PolarHBondContact O-N 3.43Å; T11-G14 VanDerWaalsContact O-N 3.14Å; G14-A18 WeakPolarHBondContact O-CB 3.38Å; G14-A18 PolarHBondContact O-N 3Å; G14-A18 VanDerWaalsContact O-N 3.1Å
15	E	87.9	Confident	82	Confident	68 Å²	68	65.9 Å²	65.9	32%	0.318	38%	0.375	S	S	.	.	H	α-helix	trans	-66.4	-47.8	-179.7	-68.6	-169.1	126.1	0	0	111.9	T11 A18 L19 K99 W103	T11-E15 HydrophobicContact CG2-CG 4.12Å; T11-E15 WeakPolarHBondContact O-CG 3.43Å; T11-E15 PolarHBondContact O-N 3.16Å; E15-A18 PolarHBondContact O-N 3.48Å; E15-L19 WeakPolarHBondContact O-CB 3.42Å; E15-L19 WeakPolarHBondContact O-CG 3.31Å; E15-L19 PolarHBondContact O-N 3.37Å; E15-K99 HydrophobicContact CB-CD 4.41Å; E15-K99 IonicContact OE1-NZ 2.59Å; E15-K99 PolarHBondContact OE1-NZ 3.03Å; E15-K99 WeakPolarHBondContact OE2-CE 3.37Å; E15-K99 IonicContact OE2-NZ 2.63Å; E15-K99 PolarHBondContact OE2-NZ 3.06Å; E15-W103 VanDerWaalsContact OE2-CZ2 3.31Å; E15-W103 WeakPolarHBondContact OE2-CZ2 3.43Å
16	I	90.3	Very high	83.5	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.005	36%	0.363	C	S	.	.	H	α-helix	trans	-68	-38.6	179.7	-61.1	-63.5	0	0	0	111.1	Q12 A18 L19 L20 F38 W41 K99 L100 W103	Q12-I16 WeakPolarHBondContact O-CB 3.38Å; Q12-I16 WeakPolarHBondContact O-CG1 3.48Å; Q12-I16 PolarHBondContact O-N 3.07Å; I16-A18 PolarHBondContact O-N 3Å; I16-L19 PolarHBondContact O-N 2.89Å; I16-L20 HydrophobicContact CG2-CD1 4Å; I16-L20 HydrophobicContact CG2-CG 4.18Å; I16-L20 WeakPolarHBondContact O-CB 3.35Å; I16-L20 WeakPolarHBondContact O-CG 3.43Å; I16-L20 PolarHBondContact O-N 3.12Å; I16-F38 HydrophobicContact CG2-CE2 4.46Å; I16-F38 HydrophobicContact CG2-CZ 4.17Å; I16-W41 HydrophobicContact CB-CH2 3.64Å; I16-W41 HydrophobicContact CB-CZ2 4.12Å; I16-W41 HydrophobicContact CG1-CH2 3.98Å; I16-W41 HydrophobicContact CG1-CZ2 3.94Å; I16-W41 HydrophobicContact CG2-CH2 3.59Å; I16-W41 HydrophobicContact CG2-CZ2 4.35Å; I16-W41 HydrophobicContact CG2-CZ3 3.99Å; I16-K99 HydrophobicContact CD1-CB 4.26Å; I16-L100 HydrophobicContact CD1-CD2 4.2Å; I16-L100 HydrophobicContact CD1-CG 4.07Å; I16-L100 HydrophobicContact CG1-CD2 4.3Å; I16-W103 HydrophobicContact CD1-CH2 4.41Å; I16-W103 HydrophobicContact CD1-CZ3 4.08Å; I16-W103 HydrophobicContact CG1-CH2 4.17Å; I16-W103 HydrophobicContact CG1-CZ3 3.76Å
17	A	85.3	Confident	84.4	Confident	26 Å²	26	67.6 Å²	67.6	22%	0.215	36%	0.362	C	S	.	.	H	α-helix	trans	-68.5	-19.3	175.6	0	0	0	0	0	114.1	R13 K21 F47	R13-A17 WeakPolarHBondContact O-CB 3.46Å; R13-A17 PolarHBondContact O-N 3.17Å; A17-K21 WeakPolarHBondContact O-CD 3.3Å; A17-K21 VanDerWaalsContact O-CE 3.32Å; A17-K21 WeakPolarHBondContact O-CE 3.3Å; A17-F47 HydrophobicContact CB-CE2 3.81Å; A17-F47 HydrophobicContact CB-CZ 3.73Å
18	A	85.8	Confident	85.1	Confident	63 Å²	63	68.7 Å²	68.7	52%	0.521	36%	0.364	S	S	.	.	H	α-helix	trans	-80.9	-46.6	167.7	0	0	0	0	0	111	G14 E15 I16 L20 K21	G14-A18 WeakPolarHBondContact O-CB 3.38Å; G14-A18 PolarHBondContact O-N 3Å; G14-A18 VanDerWaalsContact O-N 3.1Å; E15-A18 PolarHBondContact O-N 3.48Å; I16-A18 PolarHBondContact O-N 3Å; A18-L20 PolarHBondContact O-N 2.78Å; A18-K21 WeakPolarHBondContact O-CB 3.24Å; A18-K21 PolarHBondContact O-N 2.92Å
19	L	87.8	Confident	85.4	Confident	23 Å²	23	66.1 Å²	66.1	12%	0.12	35%	0.351	C	S	.	.	H	α-helix	trans	-65	-36.2	-177.8	-72.6	167.6	0	0	0	113.1	E15 I16 K21 T22 P93 E95 K99	E15-L19 WeakPolarHBondContact O-CB 3.42Å; E15-L19 WeakPolarHBondContact O-CG 3.31Å; E15-L19 PolarHBondContact O-N 3.37Å; I16-L19 PolarHBondContact O-N 2.89Å; L19-K21 PolarHBondContact O-N 2.94Å; L19-K21 VanDerWaalsContact O-N 3.08Å; L19-T22 WeakPolarHBondContact O-CB 3.46Å; L19-T22 PolarHBondContact O-N 2.91Å; L19-T22 PolarHBondContact O-OG1 3.24Å; L19-P93 HydrophobicContact CB-CG 4.03Å; L19-E95 HydrophobicContact CD1-CB 4.24Å; L19-E95 HydrophobicContact CD2-CB 4Å; L19-K99 HydrophobicContact CD1-CD 3.86Å
20	L	84.6	Confident	85.8	Confident	58 Å²	58	65.2 Å²	65.2	30%	0.304	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-12.1	173	-72.7	173	0	0	0	114.1	I16 A18 F38 F47 I90 L91 V92	I16-L20 HydrophobicContact CG2-CD1 4Å; I16-L20 HydrophobicContact CG2-CG 4.18Å; I16-L20 WeakPolarHBondContact O-CB 3.35Å; I16-L20 WeakPolarHBondContact O-CG 3.43Å; I16-L20 PolarHBondContact O-N 3.12Å; A18-L20 PolarHBondContact O-N 2.78Å; L20-F38 HydrophobicContact CD1-CE1 4.42Å; L20-F38 HydrophobicContact CD1-CZ 4.01Å; L20-F47 HydrophobicContact CD1-CZ 4.12Å; L20-I90 HydrophobicContact CD2-CG2 4.44Å; L20-L91 WeakPolarHBondContact CD2-O 3.35Å; L20-V92 HydrophobicContact CD2-CG2 4.37Å
21	K	83.7	Confident	86.4	Confident	170 Å²	170	62.8 Å²	62.8	74%	0.739	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	7	174.8	-60.5	172.7	-176.1	171.4	0	112.9	A17 A18 L19 Q23	A17-K21 WeakPolarHBondContact O-CD 3.3Å; A17-K21 VanDerWaalsContact O-CE 3.32Å; A17-K21 WeakPolarHBondContact O-CE 3.3Å; A18-K21 WeakPolarHBondContact O-CB 3.24Å; A18-K21 PolarHBondContact O-N 2.92Å; L19-K21 PolarHBondContact O-N 2.94Å; L19-K21 VanDerWaalsContact O-N 3.08Å; K21-Q23 PolarHBondContact O-N 3.29Å
22	T	87.7	Confident	86.7	Confident	60 Å²	60	60.1 Å²	60.1	37%	0.368	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-65.5	125.6	176.1	-55.7	0	0	0	0	110.2	L19 W30	L19-T22 WeakPolarHBondContact O-CB 3.46Å; L19-T22 PolarHBondContact O-N 2.91Å; L19-T22 PolarHBondContact O-OG1 3.24Å; T22-W30 HydrophobicContact CG2-CZ2 4.25Å; T22-W30 WeakPolarHBondContact O-CH2 3.21Å
23	Q	83	Confident	86.9	Confident	160 Å²	160	59.9 Å²	59.9	75%	0.748	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-69.3	132.5	173.6	-68.4	179.1	-15.1	0	0	110.9	K21	K21-Q23 PolarHBondContact O-N 3.29Å
24	L	86.9	Confident	87.2	Confident	58 Å²	58	57.9 Å²	57.9	30%	0.304	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-61.7	131.8	176.7	-63.4	168.5	0	0	0	111.5	W30 V117 C127 V129	L24-W30 HydrophobicContact CD2-CD2 3.77Å; L24-W30 HydrophobicContact CD2-CE3 4.26Å; L24-W30 HydrophobicContact CD2-CG 4.26Å; L24-W30 HydrophobicContact CD2-CH2 4.07Å; L24-W30 HydrophobicContact CD2-CZ2 3.57Å; L24-W30 HydrophobicContact CD2-CZ3 4.38Å; L24-W30 HydrophobicContact CG-CZ2 4.41Å; L24-V117 HydrophobicContact CB-CG1 4.07Å; L24-V117 HydrophobicContact CD2-CG2 3.81Å; L24-C127 HydrophobicContact CB-CB 3.74Å; L24-C127 VanDerWaalsContact CD1-O 3.28Å; L24-C127 WeakPolarHBondContact CD1-O 3.26Å; L24-C127 VanDerWaalsContact O-CB 3.32Å; L24-C127 WeakPolarHBondContact O-CB 3.36Å; L24-V129 HydrophobicContact CD2-CG2 3.87Å
25	R	85.1	Confident	87.5	Confident	172 Å²	172	56.1 Å²	56.1	65%	0.649	29%	0.288	S	S	*	.			trans	-125.7	142.7	173.4	-52.8	174.7	177.7	176.7	-1.2	111.3	G27 D28 V117	R25-G27 PolarHBondContact O-N 3.41Å; R25-D28 WeakPolarHBondContact CB-OD2 3.38Å; R25-D28 PolarHBondContact N-OD2 3.45Å; R25-D28 VanDerWaalsContact O-CB 3.28Å; R25-D28 WeakPolarHBondContact O-CB 3.44Å; R25-D28 PolarHBondContact O-N 2.87Å; R25-D28 VanDerWaalsContact O-N 3.07Å; R25-V117 WeakPolarHBondContact O-CB 3.27Å; R25-V117 WeakPolarHBondContact O-CG1 3.34Å
26	K	81.3	Confident	87.5	Confident	126 Å²	126	61.8 Å²	61.8	55%	0.548	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	127.3	179.8	-171.1	-170.3	-162.7	163.2	0	111.4	E119 C127	K26-E119 HydrophobicContact CB-CG 4.28Å; K26-E119 HydrophobicContact CD-CG 3.85Å; K26-E119 WeakPolarHBondContact CD-OE1 3.24Å; K26-E119 WeakPolarHBondContact CE-OE2 3.25Å; K26-E119 HydrophobicContact CG-CG 4.08Å; K26-E119 IonicContact NZ-OE1 2.85Å; K26-E119 IonicContact NZ-OE2 2.72Å; K26-E119 PolarHBondContact NZ-OE2 2.76Å; K26-C127 PolarHBondContact N-SG 2.96Å; K26-C127 VanDerWaalsContact N-SG 3.41Å
27	G	80.4	Confident	87.7	Confident	41 Å²	41	62.4 Å²	62.4	42%	0.423	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	-10	179.1	0	0	0	0	0	115.2	R25 K116 V117	R25-G27 PolarHBondContact O-N 3.41Å; G27-K116 PolarHBondContact O-NZ 3.29Å; G27-V117 PolarHBondContact N-O 3.46Å
28	D	88.7	Confident	88	Confident	53 Å²	53	61.5 Å²	61.5	28%	0.283	30%	0.299	S	S	.	.			trans	-56.9	150.7	171.6	-70.7	-15.7	0	0	0	111.1	R25 K116 V117	R25-D28 WeakPolarHBondContact CB-OD2 3.38Å; R25-D28 PolarHBondContact N-OD2 3.45Å; R25-D28 VanDerWaalsContact O-CB 3.28Å; R25-D28 WeakPolarHBondContact O-CB 3.44Å; R25-D28 PolarHBondContact O-N 2.87Å; R25-D28 VanDerWaalsContact O-N 3.07Å; D28-K116 WeakPolarHBondContact O-CD 3.3Å; D28-V117 HydrophobicContact CB-CB 4.21Å; D28-V117 HydrophobicContact CB-CG2 3.86Å; D28-V117 PolarHBondContact O-N 2.88Å
29	T	89.4	Confident	88.1	Confident	35 Å²	35	62.5 Å²	62.5	22%	0.215	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.7	167.2	-51.8	0	0	0	0	109.7	Y31 T94 A114 K116	T29-Y31 HydrophobicContact CG2-CD2 4.44Å; T29-Y31 HydrophobicContact CG2-CE2 3.75Å; T29-T94 PolarHBondContact O-N 3.09Å; T29-T94 PolarHBondContact O-OG1 2.82Å; T29-A114 HydrophobicContact CG2-CB 3.83Å; T29-K116 PolarHBondContact OG1-NZ 3.05Å
30	W	92.8	Very high	88.1	Confident	14 Å²	14	65.3 Å²	65.3	5%	0.053	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	154.1	172.5	-75.7	62.8	0	0	0	108.9	T22 L24 L91 V92 P93 R115 V117 V129	T22-W30 HydrophobicContact CG2-CZ2 4.25Å; T22-W30 WeakPolarHBondContact O-CH2 3.21Å; L24-W30 HydrophobicContact CD2-CD2 3.77Å; L24-W30 HydrophobicContact CD2-CE3 4.26Å; L24-W30 HydrophobicContact CD2-CG 4.26Å; L24-W30 HydrophobicContact CD2-CH2 4.07Å; L24-W30 HydrophobicContact CD2-CZ2 3.57Å; L24-W30 HydrophobicContact CD2-CZ3 4.38Å; L24-W30 HydrophobicContact CG-CZ2 4.41Å; W30-L91 HydrophobicContact CE3-CB 4.08Å; W30-V92 VanDerWaalsContact CE3-C 3.49Å; W30-P93 HydrophobicContact CD2-CB 4.07Å; W30-P93 HydrophobicContact CE3-CB 4.23Å; W30-P93 HydrophobicContact CH2-CB 4.04Å; W30-P93 HydrophobicContact CH2-CG 4.24Å; W30-P93 HydrophobicContact CZ2-CB 3.84Å; W30-P93 HydrophobicContact CZ2-CG 4.49Å; W30-P93 HydrophobicContact CZ3-CB 4.23Å; W30-P93 HydrophobicContact CZ3-CG 4.34Å; W30-R115 PolarHBondContact N-O 2.96Å; W30-R115 PolarHBondContact O-N 3.38Å; W30-R115 VanDerWaalsContact O-O 3.12Å; W30-V117 HydrophobicContact CG-CG2 4.28Å; W30-V129 HydrophobicContact CB-CG1 4.47Å; W30-V129 HydrophobicContact CB-CG2 3.78Å; W30-V129 HydrophobicContact CD2-CG2 4.44Å; W30-V129 HydrophobicContact CG-CG2 3.98Å
31	Y	92	Very high	88.5	Confident	37 Å²	37	62.5 Å²	62.5	15%	0.145	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.7	-172.3	-66.9	-98.5	0	0	0	110	T29 V92 T94 W97 P112 I113 A114	T29-Y31 HydrophobicContact CG2-CD2 4.44Å; T29-Y31 HydrophobicContact CG2-CE2 3.75Å; Y31-V92 PolarHBondContact N-O 3.02Å; Y31-V92 PolarHBondContact O-N 2.81Å; Y31-T94 HydrophobicContact CE2-CG2 4.19Å; Y31-W97 HydrophobicContact CD1-CB 4.43Å; Y31-W97 AromaticContact CD1-CD1 3.75Å; Y31-W97 AromaticContact CD1-CD2 3.73Å; Y31-W97 HydrophobicContact CD1-CD2 3.73Å; Y31-W97 AromaticContact CD1-CE2 3.84Å; Y31-W97 HydrophobicContact CD1-CE3 4.36Å; Y31-W97 AromaticContact CD1-CG 3.71Å; Y31-W97 HydrophobicContact CD1-CG 3.71Å; Y31-W97 AromaticContact CD1-NE1 3.82Å; Y31-W97 HydrophobicContact CD2-CB 3.62Å; Y31-W97 AromaticContact CD2-CG 3.78Å; Y31-W97 HydrophobicContact CD2-CG 3.78Å; Y31-W97 AromaticContact CE1-CD1 3.78Å; Y31-W97 HydrophobicContact CE1-CD2 4.48Å; Y31-W97 HydrophobicContact CE1-CG 4.18Å; Y31-W97 AromaticContact CE1-NE1 3.85Å; Y31-W97 HydrophobicContact CE2-CB 4.27Å; Y31-W97 HydrophobicContact CE2-CG 4.27Å; Y31-W97 HydrophobicContact CG-CB 3.73Å; Y31-W97 AromaticContact CG-CD1 3.92Å; Y31-W97 AromaticContact CG-CD2 3.74Å; Y31-W97 HydrophobicContact CG-CD2 3.74Å; Y31-W97 HydrophobicContact CG-CE3 4.2Å; Y31-W97 AromaticContact CG-CG 3.49Å; Y31-W97 HydrophobicContact CG-CG 3.49Å; Y31-W97 VanDerWaalsContact CG-CG 3.49Å; Y31-W97 AromaticContact CZ-CD1 3.99Å; Y31-P112 HydrophobicContact CD1-CB 3.78Å; Y31-P112 HydrophobicContact CE1-CB 3.58Å; Y31-I113 WeakPolarHBondContact CA-O 3.48Å; Y31-A114 HydrophobicContact CD1-CB 4.09Å; Y31-A114 HydrophobicContact CE1-CB 3.71Å
32	L	91.3	Very high	88.7	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	131.9	170.7	-77	70.5	0	0	0	109.5	N67 L70 Y89 L91 I113 R115 V131	L32-N67 PolarHBondContact O-ND2 3.47Å; L32-L70 HydrophobicContact CB-CD1 4.02Å; L32-Y89 HydrophobicContact CD2-CD1 3.93Å; L32-Y89 HydrophobicContact CD2-CD2 3.89Å; L32-Y89 HydrophobicContact CD2-CE1 4.27Å; L32-Y89 HydrophobicContact CD2-CE2 4.23Å; L32-Y89 HydrophobicContact CD2-CG 3.74Å; L32-Y89 HydrophobicContact CG-CD2 3.76Å; L32-Y89 HydrophobicContact CG-CE2 4.27Å; L32-Y89 HydrophobicContact CG-CG 3.99Å; L32-L91 HydrophobicContact CD1-CD2 3.71Å; L32-L91 HydrophobicContact CG-CD2 4.01Å; L32-I113 HydrophobicContact CB-CB 4.14Å; L32-I113 HydrophobicContact CB-CG2 3.99Å; L32-I113 HydrophobicContact CD1-CG2 4.35Å; L32-I113 HydrophobicContact CD2-CG2 4.36Å; L32-I113 HydrophobicContact CG-CG2 4.46Å; L32-I113 PolarHBondContact N-O 3.11Å; L32-R115 HydrophobicContact CD1-CB 4.16Å; L32-R115 HydrophobicContact CD1-CG 3.6Å; L32-V131 HydrophobicContact CD1-CG2 4.42Å; L32-V131 HydrophobicContact CD2-CG1 3.84Å
33	V	91.3	Very high	88.6	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.4	172.3	-171	0	0	0	0	108.2	S35 W37 F38 V65 N67 Y89 I90 V92 W97	V33-S35 PolarHBondContact O-N 2.98Å; V33-W37 HydrophobicContact CG1-CE3 3.65Å; V33-W37 HydrophobicContact CG1-CZ3 4.2Å; V33-F38 HydrophobicContact CG1-CB 4.32Å; V33-F38 HydrophobicContact CG1-CD2 4.23Å; V33-V65 HydrophobicContact CG1-CG1 4.17Å; V33-N67 WeakPolarHBondContact CA-OD1 3.37Å; V33-Y89 CarbonylContact O-C 3.59Å; V33-Y89 WeakPolarHBondContact O-CA 3.2Å; V33-Y89 WeakPolarHBondContact O-CB 3.48Å; V33-I90 PolarHBondContact N-O 2.76Å; V33-I90 PolarHBondContact O-N 2.9Å; V33-V92 HydrophobicContact CB-CG2 4.47Å; V33-V92 HydrophobicContact CG2-CB 4.2Å; V33-V92 HydrophobicContact CG2-CG2 3.57Å; V33-W97 HydrophobicContact CG2-CE3 3.91Å; V33-W97 HydrophobicContact CG2-CZ3 3.95Å
34	D	91.4	Very high	88.8	Confident	10 Å²	10	51.4 Å²	51.4	5%	0.053	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	131.3	176.1	-175	-75.6	0	0	0	111.6	R36 W37 F38 D66 N67 G69 L70	D34-R36 VanDerWaalsContact C-N 3.28Å; D34-R36 PolarHBondContact O-N 3.15Å; D34-R36 WeakPolarHBondContact OD1-CA 3.45Å; D34-R36 WeakPolarHBondContact OD1-CB 3.47Å; D34-R36 VanDerWaalsContact OD1-CG 3.31Å; D34-R36 WeakPolarHBondContact OD1-CG 3.47Å; D34-R36 PolarHBondContact OD1-N 3.15Å; D34-W37 HydrophobicContact CB-CB 4.32Å; D34-W37 PolarHBondContact O-N 3.35Å; D34-W37 PolarHBondContact OD1-N 3.47Å; D34-F38 WeakPolarHBondContact O-CB 3.26Å; D34-F38 PolarHBondContact O-N 3.36Å; D34-D66 WeakPolarHBondContact CB-O 3.49Å; D34-N67 PolarHBondContact N-OD1 3.33Å; D34-G69 WeakPolarHBondContact OD2-CA 3.41Å; D34-L70 HydrophobicContact CB-CD1 4.49Å; D34-L70 HydrophobicContact CB-CG 4.34Å
35	S	90.1	Very high	88.7	Confident	4 Å²	4	48.7 Å²	48.7	3%	0.028	22%	0.219	C	C	.	.	H	α-helix	trans	-58.2	-35.8	-178.3	160.1	0	0	0	0	113.4	V33 K39 L87 D88	V33-S35 PolarHBondContact O-N 2.98Å; S35-K39 WeakPolarHBondContact O-CB 3.13Å; S35-K39 VanDerWaalsContact O-CD 3.29Å; S35-K39 WeakPolarHBondContact O-CD 3.26Å; S35-K39 WeakPolarHBondContact O-CG 3.43Å; S35-K39 PolarHBondContact O-N 3.35Å; S35-K39 WeakPolarHBondContact OG-CE 2.96Å; S35-K39 PolarHBondContact OG-NZ 2.86Å; S35-L87 WeakPolarHBondContact CB-O 3.46Å; S35-L87 PolarHBondContact OG-O 3.08Å; S35-D88 WeakPolarHBondContact CB-O 3.25Å; S35-D88 PolarHBondContact N-O 3.26Å
36	R	89.7	Confident	88.6	Confident	187 Å²	187	40.5 Å²	40.5	71%	0.706	19%	0.188	S	C	*	.	H	α-helix	trans	-71.1	-48.1	-180	-49.4	167.2	-178.9	-179.3	2	109.6	D34 F38 K39 Q40	D34-R36 VanDerWaalsContact C-N 3.28Å; D34-R36 PolarHBondContact O-N 3.15Å; D34-R36 WeakPolarHBondContact OD1-CA 3.45Å; D34-R36 WeakPolarHBondContact OD1-CB 3.47Å; D34-R36 VanDerWaalsContact OD1-CG 3.31Å; D34-R36 WeakPolarHBondContact OD1-CG 3.47Å; D34-R36 PolarHBondContact OD1-N 3.15Å; R36-F38 PolarHBondContact O-N 3.13Å; R36-K39 PolarHBondContact O-N 3.2Å; R36-Q40 WeakPolarHBondContact O-CB 3.36Å; R36-Q40 PolarHBondContact O-N 3.36Å
37	W	93.4	Very high	88.6	Confident	14 Å²	14	36.8 Å²	36.8	5%	0.053	17%	0.172	C	C	.	.	H	α-helix	trans	-58.1	-48.4	174	-172.7	92.1	0	0	0	110.9	V33 D34 K39 Q40 W41 P62 G63 P64 V65 L100 Y104	V33-W37 HydrophobicContact CG1-CE3 3.65Å; V33-W37 HydrophobicContact CG1-CZ3 4.2Å; D34-W37 HydrophobicContact CB-CB 4.32Å; D34-W37 PolarHBondContact O-N 3.35Å; D34-W37 PolarHBondContact OD1-N 3.47Å; W37-K39 PolarHBondContact O-N 3.4Å; W37-Q40 WeakPolarHBondContact O-CB 3.38Å; W37-Q40 PolarHBondContact O-N 3.46Å; W37-Q40 VanDerWaalsContact O-N 3.14Å; W37-W41 HydrophobicContact CE3-CB 4.3Å; W37-W41 HydrophobicContact CH2-CB 4.06Å; W37-W41 HydrophobicContact CH2-CG 4.14Å; W37-W41 HydrophobicContact CZ3-CB 3.89Å; W37-W41 HydrophobicContact CZ3-CG 4.16Å; W37-W41 PolarHBondContact O-N 3.41Å; W37-P62 HydrophobicContact CD2-CB 4.43Å; W37-P62 HydrophobicContact CZ2-CB 3.91Å; W37-P62 HydrophobicContact CZ2-CG 3.99Å; W37-P62 PolarHBondContact NE1-O 2.89Å; W37-P62 VanDerWaalsContact NE1-O 3.08Å; W37-G63 WeakPolarHBondContact CZ2-O 3.34Å; W37-G63 PolarHBondContact NE1-O 3.4Å; W37-G63 VanDerWaalsContact NE1-O 3.16Å; W37-P64 PolarHBondContact NE1-O 2.93Å; W37-V65 HydrophobicContact CD2-CG2 4.38Å; W37-V65 HydrophobicContact CE3-CG2 4.38Å; W37-V65 HydrophobicContact CH2-CG2 3.75Å; W37-V65 HydrophobicContact CZ2-CB 4.49Å; W37-V65 HydrophobicContact CZ2-CG2 3.69Å; W37-V65 HydrophobicContact CZ3-CG2 4.1Å; W37-L100 HydrophobicContact CH2-CD2 4.17Å; W37-L100 HydrophobicContact CZ3-CD1 4.4Å; W37-L100 HydrophobicContact CZ3-CD2 4.24Å; W37-Y104 HydrophobicContact CH2-CD2 4.04Å; W37-Y104 HydrophobicContact CH2-CG 4.26Å; W37-Y104 HydrophobicContact CZ2-CD1 4.47Å; W37-Y104 HydrophobicContact CZ2-CD2 4.2Å; W37-Y104 AromaticContact CZ2-CG 3.94Å; W37-Y104 HydrophobicContact CZ2-CG 3.94Å
38	F	90.9	Very high	88.4	Confident	6 Å²	6	37 Å²	37	3%	0.026	16%	0.164	C	C	.	.	H	α-helix	trans	-65.7	-38.1	-179.1	-161.3	-94	0	0	0	112.6	I16 L20 V33 D34 R36 Q40 W41 K42 I90 V92 L100	I16-F38 HydrophobicContact CG2-CE2 4.46Å; I16-F38 HydrophobicContact CG2-CZ 4.17Å; L20-F38 HydrophobicContact CD1-CE1 4.42Å; L20-F38 HydrophobicContact CD1-CZ 4.01Å; V33-F38 HydrophobicContact CG1-CB 4.32Å; V33-F38 HydrophobicContact CG1-CD2 4.23Å; D34-F38 WeakPolarHBondContact O-CB 3.26Å; D34-F38 PolarHBondContact O-N 3.36Å; R36-F38 PolarHBondContact O-N 3.13Å; F38-Q40 VanDerWaalsContact C-N 3.32Å; F38-Q40 PolarHBondContact O-N 3.48Å; F38-W41 HydrophobicContact CD2-CE3 4.27Å; F38-W41 HydrophobicContact CE1-CE3 4.17Å; F38-W41 HydrophobicContact CE1-CZ3 4.12Å; F38-W41 AromaticContact CE2-CE3 3.79Å; F38-W41 HydrophobicContact CE2-CE3 3.79Å; F38-W41 AromaticContact CE2-CZ3 3.96Å; F38-W41 HydrophobicContact CE2-CZ3 3.96Å; F38-W41 AromaticContact CZ-CE3 3.73Å; F38-W41 HydrophobicContact CZ-CE3 3.73Å; F38-W41 AromaticContact CZ-CZ3 3.53Å; F38-W41 HydrophobicContact CZ-CZ3 3.53Å; F38-W41 PolarHBondContact O-N 3.25Å; F38-K42 HydrophobicContact CD1-CD 4.43Å; F38-K42 HydrophobicContact CD1-CG 4.09Å; F38-K42 HydrophobicContact CE1-CD 4.11Å; F38-K42 HydrophobicContact CE1-CG 3.89Å; F38-K42 WeakPolarHBondContact O-CG 2.77Å; F38-K42 PolarHBondContact O-N 3.46Å; F38-I90 HydrophobicContact CB-CB 4.45Å; F38-I90 HydrophobicContact CB-CG1 4.01Å; F38-I90 HydrophobicContact CD1-CB 4.29Å; F38-I90 HydrophobicContact CD1-CD1 4.45Å; F38-I90 HydrophobicContact CD1-CG1 3.79Å; F38-I90 HydrophobicContact CD1-CG2 4.11Å; F38-I90 HydrophobicContact CD2-CG2 4.47Å; F38-I90 HydrophobicContact CE1-CG2 4.16Å; F38-I90 HydrophobicContact CG-CB 4.19Å; F38-I90 HydrophobicContact CG-CG1 3.96Å; F38-I90 HydrophobicContact CG-CG2 4.27Å; F38-I90 HydrophobicContact CZ-CG2 4.39Å; F38-V92 HydrophobicContact CE2-CG2 4.39Å; F38-L100 HydrophobicContact CE2-CD1 4.16Å
39	K	88.8	Confident	87	Confident	84 Å²	84	39.6 Å²	39.6	37%	0.365	19%	0.186	S	C	.	.	H	α-helix	trans	-68.4	-28.2	174.1	-75.1	163.3	-175.9	159.6	0	112.7	S35 R36 W37 K43 E86	S35-K39 WeakPolarHBondContact O-CB 3.13Å; S35-K39 VanDerWaalsContact O-CD 3.29Å; S35-K39 WeakPolarHBondContact O-CD 3.26Å; S35-K39 WeakPolarHBondContact O-CG 3.43Å; S35-K39 PolarHBondContact O-N 3.35Å; S35-K39 WeakPolarHBondContact OG-CE 2.96Å; S35-K39 PolarHBondContact OG-NZ 2.86Å; R36-K39 PolarHBondContact O-N 3.2Å; W37-K39 PolarHBondContact O-N 3.4Å; K39-K43 PolarHBondContact O-N 3.12Å; K39-E86 PolarHBondContact NZ-O 3.13Å
40	Q	88.4	Confident	85.8	Confident	82 Å²	82	46.1 Å²	46.1	38%	0.383	21%	0.207	S	C	.	.	H	α-helix	trans	-73.6	-45.2	171.4	-173.4	164	-28.3	0	0	111.3	R36 W37 F38 K42 K43 Y44 V60 Y61 P62	R36-Q40 WeakPolarHBondContact O-CB 3.36Å; R36-Q40 PolarHBondContact O-N 3.36Å; W37-Q40 WeakPolarHBondContact O-CB 3.38Å; W37-Q40 PolarHBondContact O-N 3.46Å; W37-Q40 VanDerWaalsContact O-N 3.14Å; F38-Q40 VanDerWaalsContact C-N 3.32Å; F38-Q40 PolarHBondContact O-N 3.48Å; Q40-K42 VanDerWaalsContact C-N 3.33Å; Q40-K42 PolarHBondContact O-N 2.97Å; Q40-K43 PolarHBondContact O-N 3.3Å; Q40-Y44 PolarHBondContact O-N 2.79Å; Q40-Y44 VanDerWaalsContact O-N 3.13Å; Q40-V60 VanDerWaalsContact CG-O 3.25Å; Q40-V60 WeakPolarHBondContact CG-O 3.09Å; Q40-Y61 PolarHBondContact NE2-O 3.02Å; Q40-P62 HydrophobicContact CB-CB 4.42Å; Q40-P62 HydrophobicContact CG-CB 4.19Å
41	W	92	Very high	84.3	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57	-43.3	172.5	172.9	83.6	0	0	0	112.1	Q12 I16 W37 F38 K43 Y44 V45 F47 P62 L100 Y104	Q12-W41 HydrophobicContact CB-CZ2 4.47Å; I16-W41 HydrophobicContact CB-CH2 3.64Å; I16-W41 HydrophobicContact CB-CZ2 4.12Å; I16-W41 HydrophobicContact CG1-CH2 3.98Å; I16-W41 HydrophobicContact CG1-CZ2 3.94Å; I16-W41 HydrophobicContact CG2-CH2 3.59Å; I16-W41 HydrophobicContact CG2-CZ2 4.35Å; I16-W41 HydrophobicContact CG2-CZ3 3.99Å; W37-W41 HydrophobicContact CE3-CB 4.3Å; W37-W41 HydrophobicContact CH2-CB 4.06Å; W37-W41 HydrophobicContact CH2-CG 4.14Å; W37-W41 HydrophobicContact CZ3-CB 3.89Å; W37-W41 HydrophobicContact CZ3-CG 4.16Å; W37-W41 PolarHBondContact O-N 3.41Å; F38-W41 HydrophobicContact CD2-CE3 4.27Å; F38-W41 HydrophobicContact CE1-CE3 4.17Å; F38-W41 HydrophobicContact CE1-CZ3 4.12Å; F38-W41 AromaticContact CE2-CE3 3.79Å; F38-W41 HydrophobicContact CE2-CE3 3.79Å; F38-W41 AromaticContact CE2-CZ3 3.96Å; F38-W41 HydrophobicContact CE2-CZ3 3.96Å; F38-W41 AromaticContact CZ-CE3 3.73Å; F38-W41 HydrophobicContact CZ-CE3 3.73Å; F38-W41 AromaticContact CZ-CZ3 3.53Å; F38-W41 HydrophobicContact CZ-CZ3 3.53Å; F38-W41 PolarHBondContact O-N 3.25Å; W41-K43 VanDerWaalsContact C-N 3.31Å; W41-K43 PolarHBondContact O-N 2.8Å; W41-Y44 PolarHBondContact O-N 3.31Å; W41-Y44 VanDerWaalsContact O-N 3.17Å; W41-V45 HydrophobicContact CD2-CG1 4.37Å; W41-V45 HydrophobicContact CD2-CG2 4.31Å; W41-V45 HydrophobicContact CE3-CG2 4.41Å; W41-V45 HydrophobicContact CH2-CG2 3.89Å; W41-V45 HydrophobicContact CZ2-CB 4.44Å; W41-V45 HydrophobicContact CZ2-CG1 3.93Å; W41-V45 HydrophobicContact CZ2-CG2 3.8Å; W41-V45 HydrophobicContact CZ3-CG2 4.21Å; W41-V45 PolarHBondContact O-N 2.75Å; W41-F47 AromaticContact CH2-CD2 3.61Å; W41-F47 HydrophobicContact CH2-CD2 3.61Å; W41-F47 AromaticContact CH2-CE2 3.84Å; W41-F47 HydrophobicContact CH2-CE2 3.84Å; W41-F47 AromaticContact CZ3-CD2 3.49Å; W41-F47 HydrophobicContact CZ3-CD2 3.49Å; W41-F47 VanDerWaalsContact CZ3-CD2 3.49Å; W41-F47 AromaticContact CZ3-CE2 3.78Å; W41-F47 HydrophobicContact CZ3-CE2 3.78Å; W41-F47 HydrophobicContact CZ3-CG 4.41Å; W41-P62 HydrophobicContact CB-CB 4.07Å; W41-P62 HydrophobicContact CB-CG 4.06Å; W41-L100 HydrophobicContact CD2-CD2 4.32Å; W41-L100 HydrophobicContact CZ2-CD2 4.32Å; W41-Y104 AromaticContact CD1-CE2 3.48Å; W41-Y104 VanDerWaalsContact CD1-CE2 3.48Å; W41-Y104 AromaticContact CD1-CZ 3.6Å; W41-Y104 AromaticContact NE1-CE2 3.5Å; W41-Y104 AromaticContact NE1-CZ 3.83Å
42	K	87.9	Confident	83	Confident	44 Å²	44	50.2 Å²	50.2	19%	0.191	23%	0.226	C	C	.	.	H	α-helix	trans	-56.2	-41.1	176.7	-80.3	-151.8	-59.8	166	0	113.1	F38 Q40 G46 F47 D48	F38-K42 HydrophobicContact CD1-CD 4.43Å; F38-K42 HydrophobicContact CD1-CG 4.09Å; F38-K42 HydrophobicContact CE1-CD 4.11Å; F38-K42 HydrophobicContact CE1-CG 3.89Å; F38-K42 WeakPolarHBondContact O-CG 2.77Å; F38-K42 PolarHBondContact O-N 3.46Å; Q40-K42 VanDerWaalsContact C-N 3.33Å; Q40-K42 PolarHBondContact O-N 2.97Å; K42-G46 PolarHBondContact O-N 2.95Å; K42-F47 HydrophobicContact CB-CB 3.75Å; K42-F47 HydrophobicContact CB-CG 4.4Å; K42-F47 HydrophobicContact CD-CB 3.95Å; K42-F47 HydrophobicContact CD-CD1 3.55Å; K42-F47 HydrophobicContact CD-CD2 4.48Å; K42-F47 HydrophobicContact CD-CE1 4.14Å; K42-F47 HydrophobicContact CD-CG 3.75Å; K42-F47 HydrophobicContact CG-CB 3.75Å; K42-F47 HydrophobicContact CG-CD1 4.18Å; K42-F47 HydrophobicContact CG-CD2 4.28Å; K42-F47 HydrophobicContact CG-CG 3.83Å; K42-F47 WeakPolarHBondContact O-CB 2.77Å; K42-F47 PolarHBondContact O-N 3.4Å; K42-D48 WeakPolarHBondContact CE-OD2 3.45Å; K42-D48 IonicContact NZ-OD1 2.8Å; K42-D48 IonicContact NZ-OD2 3.13Å; K42-D48 PolarHBondContact NZ-OD2 3.02Å
43	K	86.3	Confident	81.8	Confident	80 Å²	80	60.7 Å²	60.7	35%	0.348	27%	0.267	S	S	.	.	H	α-helix	trans	-65.3	-48.3	175.6	-68.9	175.5	178.1	-176.5	0	111.5	K39 Q40 W41 V45 G46 V60	K39-K43 PolarHBondContact O-N 3.12Å; Q40-K43 PolarHBondContact O-N 3.3Å; W41-K43 VanDerWaalsContact C-N 3.31Å; W41-K43 PolarHBondContact O-N 2.8Å; K43-V45 VanDerWaalsContact C-N 3.32Å; K43-V45 PolarHBondContact O-N 2.76Å; K43-G46 PolarHBondContact O-N 2.68Å; K43-V60 HydrophobicContact CB-CB 4.38Å; K43-V60 HydrophobicContact CB-CG2 4.32Å
44	Y	87.2	Confident	80.5	Confident	33 Å²	33	64.6 Å²	64.6	13%	0.129	29%	0.285	C	S	.	.	H	α-helix	trans	-59	-38.4	-179.4	-178.5	-109.1	0	0	0	113.3	L9 Q40 W41 M55 G56 V60 Y61 Y104	L9-Y44 HydrophobicContact CD2-CD1 4.04Å; L9-Y44 HydrophobicContact CD2-CE1 3.46Å; L9-Y44 VanDerWaalsContact CD2-CE1 3.46Å; Q40-Y44 PolarHBondContact O-N 2.79Å; Q40-Y44 VanDerWaalsContact O-N 3.13Å; W41-Y44 PolarHBondContact O-N 3.31Å; W41-Y44 VanDerWaalsContact O-N 3.17Å; Y44-M55 CarbonylContact O-C 3.6Å; Y44-M55 WeakPolarHBondContact O-CA 3.34Å; Y44-G56 PolarHBondContact O-N 3.19Å; Y44-V60 HydrophobicContact CD2-CG2 4.31Å; Y44-Y61 HydrophobicContact CD2-CD2 4.4Å; Y44-Y61 AromaticContact CE1-CD2 3.97Å; Y44-Y61 HydrophobicContact CE1-CD2 3.97Å; Y44-Y61 HydrophobicContact CE1-CE2 4.33Å; Y44-Y61 AromaticContact CE2-CD2 3.86Å; Y44-Y61 HydrophobicContact CE2-CD2 3.86Å; Y44-Y61 AromaticContact CZ-CD2 3.64Å; Y44-Y104 HydrophobicContact CD1-CE1 4.4Å; Y44-Y104 WeakPolarHBondContact CD1-OH 3.44Å; Y44-Y104 HydrophobicContact CE1-CE1 4.26Å; Y44-Y104 WeakPolarHBondContact CE1-OH 3.42Å
45	V	85.3	Confident	80	Confident	0 Å²	0	67 Å²	67	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	1.1	176.4	-51.6	0	0	0	0	114.5	L9 Q12 R13 W41 K43 F47	L9-V45 HydrophobicContact CD2-CG1 4.25Å; Q12-V45 HydrophobicContact CB-CG1 4.28Å; R13-V45 HydrophobicContact CB-CB 4.31Å; R13-V45 HydrophobicContact CB-CG2 4.05Å; R13-V45 HydrophobicContact CG-CG2 4.37Å; R13-V45 PolarHBondContact NH1-O 3.32Å; W41-V45 HydrophobicContact CD2-CG1 4.37Å; W41-V45 HydrophobicContact CD2-CG2 4.31Å; W41-V45 HydrophobicContact CE3-CG2 4.41Å; W41-V45 HydrophobicContact CH2-CG2 3.89Å; W41-V45 HydrophobicContact CZ2-CB 4.44Å; W41-V45 HydrophobicContact CZ2-CG1 3.93Å; W41-V45 HydrophobicContact CZ2-CG2 3.8Å; W41-V45 HydrophobicContact CZ3-CG2 4.21Å; W41-V45 PolarHBondContact O-N 2.75Å; K43-V45 VanDerWaalsContact C-N 3.32Å; K43-V45 PolarHBondContact O-N 2.76Å; V45-F47 HydrophobicContact CG2-CB 3.91Å; V45-F47 HydrophobicContact CG2-CD2 4.22Å
46	G	81.7	Confident	79.2	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	48.4	-174.5	0	0	0	0	0	112.5	R13 K42 K43	R13-G46 WeakPolarHBondContact CD-O 3.33Å; K42-G46 PolarHBondContact O-N 2.95Å; K43-G46 PolarHBondContact O-N 2.68Å
47	F	81.3	Confident	78.7	Confident	48 Å²	48	62.5 Å²	62.5	21%	0.211	30%	0.295	C	S	.	.			trans	-65.8	-51.5	-172.1	-165.9	-81.6	0	0	0	112.4	R13 A17 L20 W41 K42 V45	R13-F47 HydrophobicContact CG-CB 4.43Å; R13-F47 HydrophobicContact CG-CD2 3.83Å; R13-F47 HydrophobicContact CG-CE2 4.45Å; R13-F47 HydrophobicContact CG-CG 4.28Å; A17-F47 HydrophobicContact CB-CE2 3.81Å; A17-F47 HydrophobicContact CB-CZ 3.73Å; L20-F47 HydrophobicContact CD1-CZ 4.12Å; W41-F47 AromaticContact CH2-CD2 3.61Å; W41-F47 HydrophobicContact CH2-CD2 3.61Å; W41-F47 AromaticContact CH2-CE2 3.84Å; W41-F47 HydrophobicContact CH2-CE2 3.84Å; W41-F47 AromaticContact CZ3-CD2 3.49Å; W41-F47 HydrophobicContact CZ3-CD2 3.49Å; W41-F47 VanDerWaalsContact CZ3-CD2 3.49Å; W41-F47 AromaticContact CZ3-CE2 3.78Å; W41-F47 HydrophobicContact CZ3-CE2 3.78Å; W41-F47 HydrophobicContact CZ3-CG 4.41Å; K42-F47 HydrophobicContact CB-CB 3.75Å; K42-F47 HydrophobicContact CB-CG 4.4Å; K42-F47 HydrophobicContact CD-CB 3.95Å; K42-F47 HydrophobicContact CD-CD1 3.55Å; K42-F47 HydrophobicContact CD-CD2 4.48Å; K42-F47 HydrophobicContact CD-CE1 4.14Å; K42-F47 HydrophobicContact CD-CG 3.75Å; K42-F47 HydrophobicContact CG-CB 3.75Å; K42-F47 HydrophobicContact CG-CD1 4.18Å; K42-F47 HydrophobicContact CG-CD2 4.28Å; K42-F47 HydrophobicContact CG-CG 3.83Å; K42-F47 WeakPolarHBondContact O-CB 2.77Å; K42-F47 PolarHBondContact O-N 3.4Å; V45-F47 HydrophobicContact CG2-CB 3.91Å; V45-F47 HydrophobicContact CG2-CD2 4.22Å
48	D	77.3	Confident	77.9	Confident	47 Å²	47	68 Å²	68	25%	0.251	32%	0.321	S	S	.	.	S	Bend	trans	-87.8	153.7	176.9	-66.7	-51.1	0	0	0	111.1	K42 W50 D51	K42-D48 WeakPolarHBondContact CE-OD2 3.45Å; K42-D48 IonicContact NZ-OD1 2.8Å; K42-D48 IonicContact NZ-OD2 3.13Å; K42-D48 PolarHBondContact NZ-OD2 3.02Å; D48-W50 PolarHBondContact O-N 2.86Å; D48-D51 PolarHBondContact O-N 3.21Å; D48-D51 VanDerWaalsContact O-N 3.08Å
49	S	59.4	Low	77.2	Confident	107 Å²	107	74.5 Å²	74.5	75%	0.748	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.8	-169.4	55.1	0	0	0	0	115
50	W	63.9	Low	76.9	Confident	171 Å²	171	71.5 Å²	71.5	65%	0.648	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-16.7	-178.9	53.3	-82.1	0	0	0	113.6	D48 K52 Y53	D48-W50 PolarHBondContact O-N 2.86Å; W50-K52 VanDerWaalsContact C-N 3.27Å; W50-K52 PolarHBondContact O-N 2.81Å; W50-Y53 WeakPolarHBondContact O-CD2 3.4Å
51	D	61.2	Low	76.8	Confident	8 Å²	8	71.5 Å²	71.5	4%	0.043	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-77.6	-9.5	178.8	-81.6	-31.1	0	0	0	113.3	D48 Y53 Q54	D48-D51 PolarHBondContact O-N 3.21Å; D48-D51 VanDerWaalsContact O-N 3.08Å; D51-Y53 PolarHBondContact O-N 2.97Å; D51-Q54 PolarHBondContact O-N 2.96Å
52	K	64	Low	76.5	Confident	129 Å²	129	72 Å²	72	56%	0.561	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-55.1	-19.7	-176.5	-70.1	-169	172.6	-168.8	0	115.4	W50 Q54	W50-K52 VanDerWaalsContact C-N 3.27Å; W50-K52 PolarHBondContact O-N 2.81Å; K52-Q54 VanDerWaalsContact C-N 3.3Å
53	Y	65.9	Low	76.5	Confident	220 Å²	220	70.7 Å²	70.7	86%	0.863	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-75.5	-14.2	176	-59.7	-78.2	0	0	0	114.1	W50 D51	W50-Y53 WeakPolarHBondContact O-CD2 3.4Å; D51-Y53 PolarHBondContact O-N 2.97Å
54	Q	65	Low	76.7	Confident	83 Å²	83	70 Å²	70	39%	0.388	35%	0.347	S	S	.	.	S	Bend	trans	-113.9	6.2	179.5	-62.8	-177.7	-8.9	0	0	112.6	D51 K52 G56 D57 V60	D51-Q54 PolarHBondContact O-N 2.96Å; K52-Q54 VanDerWaalsContact C-N 3.3Å; Q54-G56 PolarHBondContact O-N 2.72Å; Q54-D57 WeakPolarHBondContact O-CB 3.26Å; Q54-D57 PolarHBondContact O-N 2.64Å; Q54-D57 VanDerWaalsContact O-N 3.09Å; Q54-V60 HydrophobicContact CB-CG2 4.32Å; Q54-V60 WeakPolarHBondContact O-CG2 3.49Å
55	M	79.6	Confident	76.9	Confident	60 Å²	60	68.4 Å²	68.4	30%	0.296	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	119.3	-177.7	-176	174.6	174.5	0	0	111	L9 Y44 D57	L9-M55 HydrophobicContact CB-CE 3.58Å; L9-M55 HydrophobicContact CD1-CE 4.45Å; L9-M55 HydrophobicContact CD1-CG 4.16Å; Y44-M55 CarbonylContact O-C 3.6Å; Y44-M55 WeakPolarHBondContact O-CA 3.34Å; M55-D57 VanDerWaalsContact C-N 3.33Å
56	G	73.6	Confident	77.1	Confident	35 Å²	35	71 Å²	71	36%	0.361	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	7.2	-176.4	0	0	0	0	0	115.8	Y44 Q54 Q58	Y44-G56 PolarHBondContact O-N 3.19Å; Q54-G56 PolarHBondContact O-N 2.72Å; G56-Q58 PolarHBondContact O-N 3.46Å
57	D	78.8	Confident	77.5	Confident	62 Å²	62	71 Å²	71	33%	0.332	36%	0.356	S	S	.	.			trans	-72.5	124.6	172.8	179.6	8.3	0	0	0	110.5	Q54 M55 N59 V60 Y61	Q54-D57 WeakPolarHBondContact O-CB 3.26Å; Q54-D57 PolarHBondContact O-N 2.64Å; Q54-D57 VanDerWaalsContact O-N 3.09Å; M55-D57 VanDerWaalsContact C-N 3.33Å; D57-N59 PolarHBondContact O-N 2.92Å; D57-N59 PolarHBondContact OD1-N 3.43Å; D57-N59 PolarHBondContact OD1-ND2 3.43Å; D57-N59 PolarHBondContact OD2-ND2 2.9Å; D57-V60 HydrophobicContact CB-CG2 4.21Å; D57-V60 VanDerWaalsContact O-CG2 3.27Å; D57-V60 WeakPolarHBondContact O-CG2 3.37Å; D57-V60 PolarHBondContact O-N 3.32Å; D57-Y61 PolarHBondContact O-N 3.43Å
58	Q	78.3	Confident	77.6	Confident	129 Å²	129	71.9 Å²	71.9	60%	0.603	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-65	-20.7	-179.6	-158.8	62.7	27.4	0	0	112.8	G56 V60 Y61	G56-Q58 PolarHBondContact O-N 3.46Å; Q58-V60 PolarHBondContact O-N 3.27Å; Q58-Y61 WeakPolarHBondContact O-CB 3.36Å; Q58-Y61 PolarHBondContact O-N 3.35Å
59	N	76.4	Confident	77.9	Confident	142 Å²	142	70.6 Å²	70.6	76%	0.759	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-67.8	-20	173	-60.3	-67.4	0	0	0	113.4	D57	D57-N59 PolarHBondContact O-N 2.92Å; D57-N59 PolarHBondContact OD1-N 3.43Å; D57-N59 PolarHBondContact OD1-ND2 3.43Å; D57-N59 PolarHBondContact OD2-ND2 2.9Å
60	V	80.9	Confident	79.1	Confident	22 Å²	22	65.6 Å²	65.6	13%	0.133	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-111.8	8.1	175.5	-57.4	0	0	0	0	113.1	Q40 K43 Y44 Q54 D57 Q58	Q40-V60 VanDerWaalsContact CG-O 3.25Å; Q40-V60 WeakPolarHBondContact CG-O 3.09Å; K43-V60 HydrophobicContact CB-CB 4.38Å; K43-V60 HydrophobicContact CB-CG2 4.32Å; Y44-V60 HydrophobicContact CD2-CG2 4.31Å; Q54-V60 HydrophobicContact CB-CG2 4.32Å; Q54-V60 WeakPolarHBondContact O-CG2 3.49Å; D57-V60 HydrophobicContact CB-CG2 4.21Å; D57-V60 VanDerWaalsContact O-CG2 3.27Å; D57-V60 WeakPolarHBondContact O-CG2 3.37Å; D57-V60 PolarHBondContact O-N 3.32Å; Q58-V60 PolarHBondContact O-N 3.27Å
61	Y	86.6	Confident	80	Confident	81 Å²	81	58.3 Å²	58.3	32%	0.318	30%	0.304	S	S	.	.			trans	-54.2	127.7	173.5	-178.3	-101.7	0	0	0	110.1	Q40 Y44 D57 Q58 G63 Y104	Q40-Y61 PolarHBondContact NE2-O 3.02Å; Y44-Y61 HydrophobicContact CD2-CD2 4.4Å; Y44-Y61 AromaticContact CE1-CD2 3.97Å; Y44-Y61 HydrophobicContact CE1-CD2 3.97Å; Y44-Y61 HydrophobicContact CE1-CE2 4.33Å; Y44-Y61 AromaticContact CE2-CD2 3.86Å; Y44-Y61 HydrophobicContact CE2-CD2 3.86Å; Y44-Y61 AromaticContact CZ-CD2 3.64Å; D57-Y61 PolarHBondContact O-N 3.43Å; Q58-Y61 WeakPolarHBondContact O-CB 3.36Å; Q58-Y61 PolarHBondContact O-N 3.35Å; Y61-G63 PolarHBondContact O-N 2.98Å; Y61-Y104 HydrophobicContact CD2-CE1 4.45Å; Y61-Y104 HydrophobicContact CE2-CD1 4.12Å; Y61-Y104 AromaticContact CE2-CE1 3.79Å; Y61-Y104 HydrophobicContact CE2-CE1 3.79Å
62	P	85.9	Confident	80.7	Confident	12 Å²	12	61.7 Å²	61.7	8%	0.078	32%	0.318	C	S	.	.			trans	-79.2	-15.5	-168.7	31.5	-37.4	0	0	0	114.5	W37 Q40 W41 Y104	W37-P62 HydrophobicContact CD2-CB 4.43Å; W37-P62 HydrophobicContact CZ2-CB 3.91Å; W37-P62 HydrophobicContact CZ2-CG 3.99Å; W37-P62 PolarHBondContact NE1-O 2.89Å; W37-P62 VanDerWaalsContact NE1-O 3.08Å; Q40-P62 HydrophobicContact CB-CB 4.42Å; Q40-P62 HydrophobicContact CG-CB 4.19Å; W41-P62 HydrophobicContact CB-CB 4.07Å; W41-P62 HydrophobicContact CB-CG 4.06Å; P62-Y104 HydrophobicContact CG-CD1 3.72Å; P62-Y104 HydrophobicContact CG-CE1 3.51Å; P62-Y104 HydrophobicContact CG-CG 4.49Å
63	G	87.9	Confident	80.7	Confident	15 Å²	15	63.3 Å²	63.3	16%	0.155	33%	0.333	C	S	.	.			trans	70	-172.8	-171.4	0	0	0	0	0	112.7	W37 Y61 Y104	W37-G63 WeakPolarHBondContact CZ2-O 3.34Å; W37-G63 PolarHBondContact NE1-O 3.4Å; W37-G63 VanDerWaalsContact NE1-O 3.16Å; Y61-G63 PolarHBondContact O-N 2.98Å; G63-Y104 WeakPolarHBondContact O-CB 3.25Å
64	P	90.9	Very high	80.4	Confident	65 Å²	65	57.1 Å²	57.1	42%	0.422	34%	0.337	S	S	.	.	S	Bend	trans	-55.9	150.9	170.2	-20.8	33.2	0	0	0	111.5	W37 D66 Y104	W37-P64 PolarHBondContact NE1-O 2.93Å; P64-D66 PolarHBondContact O-N 3.41Å; P64-Y104 VanDerWaalsContact CA-O 3.27Å; P64-Y104 WeakPolarHBondContact CA-O 3.41Å
65	V	90.9	Very high	80.2	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-57.1	122.5	174.8	179.3	0	0	0	0	109	V33 W37 W97 G105 L106 T107	V33-V65 HydrophobicContact CG1-CG1 4.17Å; W37-V65 HydrophobicContact CD2-CG2 4.38Å; W37-V65 HydrophobicContact CE3-CG2 4.38Å; W37-V65 HydrophobicContact CH2-CG2 3.75Å; W37-V65 HydrophobicContact CZ2-CB 4.49Å; W37-V65 HydrophobicContact CZ2-CG2 3.69Å; W37-V65 HydrophobicContact CZ3-CG2 4.1Å; V65-W97 HydrophobicContact CG1-CH2 4Å; V65-W97 HydrophobicContact CG1-CZ3 3.94Å; V65-G105 WeakPolarHBondContact CG2-O 3.3Å; V65-G105 PolarHBondContact N-O 3.14Å; V65-L106 HydrophobicContact CB-CD1 3.96Å; V65-L106 HydrophobicContact CG1-CD1 4.09Å; V65-T107 WeakPolarHBondContact O-CB 3.37Å; V65-T107 PolarHBondContact O-N 2.72Å; V65-T107 PolarHBondContact O-OG1 3.31Å
66	D	89	Confident	79	Confident	56 Å²	56	56.8 Å²	56.8	30%	0.299	34%	0.341	S	S	.	.			trans	-117.2	115.5	176.6	178.9	19.5	0	0	0	109.6	D34 P64 S68 T107 Q110	D34-D66 WeakPolarHBondContact CB-O 3.49Å; P64-D66 PolarHBondContact O-N 3.41Å; D66-S68 VanDerWaalsContact CG-OG 3.24Å; D66-S68 WeakPolarHBondContact OD1-CB 3.11Å; D66-S68 PolarHBondContact OD1-N 2.62Å; D66-S68 PolarHBondContact OD1-OG 2.96Å; D66-S68 PolarHBondContact OD2-OG 3.05Å; D66-T107 WeakPolarHBondContact CA-OG1 3.33Å; D66-Q110 PolarHBondContact OD1-NE2 2.62Å
67	N	89.7	Confident	78	Confident	0 Å²	0	60 Å²	60	0%	0	35%	0.349	C	S	.	.			trans	-103.8	11.6	176.9	-78.6	-16.1	0	0	0	112.8	L32 V33 D34 G69 L70 L71 I113	L32-N67 PolarHBondContact O-ND2 3.47Å; V33-N67 WeakPolarHBondContact CA-OD1 3.37Å; D34-N67 PolarHBondContact N-OD1 3.33Å; N67-G69 PolarHBondContact O-N 2.76Å; N67-G69 VanDerWaalsContact O-N 3.17Å; N67-L70 WeakPolarHBondContact O-CB 3.21Å; N67-L70 PolarHBondContact O-N 2.7Å; N67-L71 PolarHBondContact O-N 2.73Å; N67-I113 HydrophobicContact CB-CD1 3.77Å; N67-I113 HydrophobicContact CB-CG1 4.47Å
68	S	84.9	Confident	77.4	Confident	65 Å²	65	57.7 Å²	57.7	46%	0.455	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-32.5	-179.5	65.3	0	0	0	0	113.5	D66 L70 L71 K80	D66-S68 VanDerWaalsContact CG-OG 3.24Å; D66-S68 WeakPolarHBondContact OD1-CB 3.11Å; D66-S68 PolarHBondContact OD1-N 2.62Å; D66-S68 PolarHBondContact OD1-OG 2.96Å; D66-S68 PolarHBondContact OD2-OG 3.05Å; S68-L70 PolarHBondContact O-N 3.27Å; S68-L71 PolarHBondContact O-N 3.17Å; S68-K80 PolarHBondContact O-NZ 3.46Å
69	G	82.3	Confident	77.5	Confident	21 Å²	21	52.1 Å²	52.1	22%	0.216	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-30.8	173.6	0	0	0	0	0	113.3	D34 N67 K80	D34-G69 WeakPolarHBondContact OD2-CA 3.41Å; N67-G69 PolarHBondContact O-N 2.76Å; N67-G69 VanDerWaalsContact O-N 3.17Å; G69-K80 PolarHBondContact O-NZ 2.75Å
70	L	84.6	Confident	77.7	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-23.8	-174.5	-53.6	-177.2	0	0	0	114.5	L32 D34 N67 S68 I79 K80 L83 D88 I113	L32-L70 HydrophobicContact CB-CD1 4.02Å; D34-L70 HydrophobicContact CB-CD1 4.49Å; D34-L70 HydrophobicContact CB-CG 4.34Å; N67-L70 WeakPolarHBondContact O-CB 3.21Å; N67-L70 PolarHBondContact O-N 2.7Å; S68-L70 PolarHBondContact O-N 3.27Å; L70-I79 CarbonylContact O-C 3.56Å; L70-I79 VanDerWaalsContact O-CA 3.22Å; L70-I79 WeakPolarHBondContact O-CA 3.5Å; L70-K80 PolarHBondContact O-N 3.14Å; L70-L83 HydrophobicContact CB-CD1 4.34Å; L70-L83 HydrophobicContact CD2-CD1 4.19Å; L70-L83 HydrophobicContact CD2-CD2 4.13Å; L70-D88 WeakPolarHBondContact CD2-O 3.18Å; L70-I113 HydrophobicContact CB-CD1 3.99Å; L70-I113 HydrophobicContact CD1-CD1 4.09Å
71	L	83.4	Confident	77.5	Confident	19 Å²	19	53.1 Å²	53.1	10%	0.099	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	153.2	-172.2	-64.1	175.6	0	0	0	113	N67 S68 V76 I79 K80 I113	N67-L71 PolarHBondContact O-N 2.73Å; S68-L71 PolarHBondContact O-N 3.17Å; L71-V76 HydrophobicContact CD1-CG1 4.41Å; L71-V76 VanDerWaalsContact CD2-O 3.24Å; L71-V76 WeakPolarHBondContact CD2-O 3.21Å; L71-I79 HydrophobicContact CD2-CG2 4.33Å; L71-K80 VanDerWaalsContact O-CE 3.27Å; L71-K80 WeakPolarHBondContact O-CE 3.46Å; L71-K80 WeakPolarHBondContact O-CG 3.41Å; L71-K80 PolarHBondContact O-NZ 3.43Å; L71-I113 HydrophobicContact CD2-CD1 3.65Å; L71-I113 HydrophobicContact CD2-CG1 4.19Å; L71-I113 HydrophobicContact CG-CD1 4.1Å
72	K	76.4	Confident	76.8	Confident	78 Å²	78	57 Å²	57	34%	0.339	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	150.3	168.9	-68	-170.2	179.1	-170.2	0	110.5	G74 D75 A78 I79 K80 E81	K72-G74 PolarHBondContact O-N 2.99Å; K72-D75 PolarHBondContact O-N 3.23Å; K72-A78 HydrophobicContact CB-CB 4.42Å; K72-A78 HydrophobicContact CD-CB 4.33Å; K72-A78 HydrophobicContact CG-CB 4.5Å; K72-A78 PolarHBondContact N-O 3.1Å; K72-I79 WeakPolarHBondContact CE-O 3.36Å; K72-K80 HydrophobicContact CG-CG 4.22Å; K72-E81 IonicContact NZ-OE1 2.67Å; K72-E81 PolarHBondContact NZ-OE1 3.33Å
73	D	64.3	Low	76.4	Confident	163 Å²	163	57.5 Å²	57.5	87%	0.872	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	122.7	178.3	-56	-66.8	0	0	0	110.7
74	G	57.9	Low	75.8	Confident	91 Å²	91	61.4 Å²	61.4	94%	0.938	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.3	-9.8	177.2	0	0	0	0	0	117.1	K72	K72-G74 PolarHBondContact O-N 2.99Å
75	D	61.5	Low	75	Confident	73 Å²	73	61.8 Å²	61.8	39%	0.39	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	111.5	177.3	-179.5	-17.9	0	0	0	110.8	K72 L77 A78	K72-D75 PolarHBondContact O-N 3.23Å; D75-L77 PolarHBondContact O-N 2.87Å; D75-L77 WeakPolarHBondContact OD1-CA 3.36Å; D75-L77 PolarHBondContact OD1-N 2.87Å; D75-A78 HydrophobicContact CB-CB 3.83Å; D75-A78 PolarHBondContact OD1-N 3.29Å; D75-A78 VanDerWaalsContact OD2-CB 3.27Å; D75-A78 WeakPolarHBondContact OD2-CB 3.44Å
76	V	54.9	Low	74.4	Confident	63 Å²	63	68.8 Å²	68.8	38%	0.382	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	-12.7	-174.9	-166.9	0	0	0	0	112.9	L71 E111	L71-V76 HydrophobicContact CD1-CG1 4.41Å; L71-V76 VanDerWaalsContact CD2-O 3.24Å; L71-V76 WeakPolarHBondContact CD2-O 3.21Å; V76-E111 HydrophobicContact CG1-CB 4.27Å; V76-E111 HydrophobicContact CG1-CG 4.32Å
77	L	52.4	Low	73.7	Confident	101 Å²	101	70.9 Å²	70.9	53%	0.529	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-24	-178.8	-64.5	175	0	0	0	113.2	D75 I79 R115	D75-L77 PolarHBondContact O-N 2.87Å; D75-L77 WeakPolarHBondContact OD1-CA 3.36Å; D75-L77 PolarHBondContact OD1-N 2.87Å; L77-I79 PolarHBondContact O-N 3.25Å; L77-R115 PolarHBondContact O-NH2 2.88Å
78	A	67.1	Low	73.2	Confident	15 Å²	15	73.3 Å²	73.3	12%	0.124	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	109.2	174	0	0	0	0	0	111.6	K72 D75	K72-A78 HydrophobicContact CB-CB 4.42Å; K72-A78 HydrophobicContact CD-CB 4.33Å; K72-A78 HydrophobicContact CG-CB 4.5Å; K72-A78 PolarHBondContact N-O 3.1Å; D75-A78 HydrophobicContact CB-CB 3.83Å; D75-A78 PolarHBondContact OD1-N 3.29Å; D75-A78 VanDerWaalsContact OD2-CB 3.27Å; D75-A78 WeakPolarHBondContact OD2-CB 3.44Å
79	I	80.6	Confident	73.5	Confident	12 Å²	12	71.1 Å²	71.1	6%	0.062	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	152.8	168.1	58.1	174.2	0	0	0	111.4	L70 L71 K72 L77 L83 I113 V131 Y132	L70-I79 CarbonylContact O-C 3.56Å; L70-I79 VanDerWaalsContact O-CA 3.22Å; L70-I79 WeakPolarHBondContact O-CA 3.5Å; L71-I79 HydrophobicContact CD2-CG2 4.33Å; K72-I79 WeakPolarHBondContact CE-O 3.36Å; L77-I79 PolarHBondContact O-N 3.25Å; I79-L83 HydrophobicContact CB-CD1 4Å; I79-L83 HydrophobicContact CD1-CD1 4.45Å; I79-I113 HydrophobicContact CG2-CD1 4.12Å; I79-I113 HydrophobicContact CG2-CG2 3.79Å; I79-V131 HydrophobicContact CD1-CG1 3.5Å; I79-V131 VanDerWaalsContact CD1-CG1 3.5Å; I79-V131 WeakPolarHBondContact CD1-O 3.42Å; I79-Y132 HydrophobicContact CD1-CD1 3.97Å; I79-Y132 HydrophobicContact CD1-CE1 3.56Å; I79-Y132 HydrophobicContact CG1-CD1 4.29Å; I79-Y132 HydrophobicContact CG1-CE1 3.77Å
80	K	79.8	Confident	73.8	Confident	73 Å²	73	71.2 Å²	71.2	32%	0.317	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-58.5	151.9	169.4	-64	-175.2	176.2	85.8	0	110.2	S68 G69 L70 L71 K72 L83 Y132	S68-K80 PolarHBondContact O-NZ 3.46Å; G69-K80 PolarHBondContact O-NZ 2.75Å; L70-K80 PolarHBondContact O-N 3.14Å; L71-K80 VanDerWaalsContact O-CE 3.27Å; L71-K80 WeakPolarHBondContact O-CE 3.46Å; L71-K80 WeakPolarHBondContact O-CG 3.41Å; L71-K80 PolarHBondContact O-NZ 3.43Å; K72-K80 HydrophobicContact CG-CG 4.22Å; K80-L83 HydrophobicContact CB-CD1 4.27Å; K80-L83 HydrophobicContact CB-CD2 4.19Å; K80-L83 HydrophobicContact CB-CG 4.2Å; K80-L83 WeakPolarHBondContact O-CD1 3.4Å; K80-L83 WeakPolarHBondContact O-CG 3.3Å; K80-Y132 VanDerWaalsContact O-CE1 3.31Å; K80-Y132 WeakPolarHBondContact O-CE1 3.28Å; K80-Y132 PolarHBondContact O-OH 3.32Å
81	E	75.9	Confident	74.1	Confident	111 Å²	111	72.5 Å²	72.5	52%	0.519	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	158.6	177.5	-77.5	158.6	-125.3	0	0	111.5	K72 L83	K72-E81 IonicContact NZ-OE1 2.67Å; K72-E81 PolarHBondContact NZ-OE1 3.33Å; E81-L83 PolarHBondContact O-N 2.95Å
82	H	72.6	Confident	74.4	Confident	164 Å²	164	71.7 Å²	71.7	76%	0.759	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	21.3	177.7	-49.9	-68.2	0	0	0	116.8	I84 Y132	H82-I84 WeakPolarHBondContact O-CG1 3.21Å; H82-Y132 PolarHBondContact N-OH 2.86Å
83	L	78.1	Confident	75.2	Confident	21 Å²	21	68.4 Å²	68.4	11%	0.11	37%	0.371	C	S	.	.			trans	-62.9	135.6	173.2	-63.2	166	0	0	0	111	L70 I79 K80 E81 D88 Y89 Y132	L70-L83 HydrophobicContact CB-CD1 4.34Å; L70-L83 HydrophobicContact CD2-CD1 4.19Å; L70-L83 HydrophobicContact CD2-CD2 4.13Å; I79-L83 HydrophobicContact CB-CD1 4Å; I79-L83 HydrophobicContact CD1-CD1 4.45Å; K80-L83 HydrophobicContact CB-CD1 4.27Å; K80-L83 HydrophobicContact CB-CD2 4.19Å; K80-L83 HydrophobicContact CB-CG 4.2Å; K80-L83 WeakPolarHBondContact O-CD1 3.4Å; K80-L83 WeakPolarHBondContact O-CG 3.3Å; E81-L83 PolarHBondContact O-N 2.95Å; L83-D88 HydrophobicContact CB-CB 4.31Å; L83-D88 HydrophobicContact CD2-CB 3.8Å; L83-Y89 HydrophobicContact CB-CD1 3.82Å; L83-Y89 HydrophobicContact CB-CE1 3.69Å; L83-Y132 VanDerWaalsContact CB-OH 3.29Å; L83-Y132 WeakPolarHBondContact CB-OH 3.37Å; L83-Y132 WeakPolarHBondContact CG-OH 3.48Å; L83-Y132 PolarHBondContact N-OH 3.34Å
84	I	73.9	Confident	76.5	Confident	97 Å²	97	63 Å²	63	50%	0.497	34%	0.343	S	S	.	.			trans	-108.2	133.7	-174.9	-57.4	179.4	0	0	0	110.2	H82 L87 D88	H82-I84 WeakPolarHBondContact O-CG1 3.21Å; I84-L87 HydrophobicContact CB-CB 3.96Å; I84-L87 HydrophobicContact CB-CD2 4.11Å; I84-L87 HydrophobicContact CD1-CD2 4.04Å; I84-L87 HydrophobicContact CG2-CB 3.98Å; I84-L87 HydrophobicContact CG2-CD2 4.43Å; I84-L87 PolarHBondContact O-N 3.2Å; I84-D88 PolarHBondContact N-OD2 3Å; I84-D88 PolarHBondContact O-N 3Å
85	D	75.6	Confident	77.9	Confident	74 Å²	74	64.9 Å²	64.9	40%	0.396	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-63.6	146.5	176.2	-158.9	4.3	0	0	0	111	L87 Y89 L91	D85-L87 PolarHBondContact O-N 2.85Å; D85-Y89 HydrophobicContact CB-CE2 3.85Å; D85-L91 WeakPolarHBondContact OD2-CD1 3.27Å
86	E	77.3	Confident	79.3	Confident	146 Å²	146	61.4 Å²	61.4	68%	0.682	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	-19.8	-166.8	-56.1	-164.3	157.1	0	0	117.3	K39 Y89 I90	K39-E86 PolarHBondContact NZ-O 3.13Å; E86-Y89 WeakPolarHBondContact CA-O 3.31Å; E86-Y89 PolarHBondContact N-O 2.81Å; E86-I90 HydrophobicContact CB-CD1 4.39Å; E86-I90 HydrophobicContact CG-CD1 4.31Å
87	L	73.8	Confident	81.1	Confident	101 Å²	101	58.8 Å²	58.8	53%	0.529	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-54.5	176.9	-174.4	68	0	0	0	111.8	S35 I84 D85	S35-L87 WeakPolarHBondContact CB-O 3.46Å; S35-L87 PolarHBondContact OG-O 3.08Å; I84-L87 HydrophobicContact CB-CB 3.96Å; I84-L87 HydrophobicContact CB-CD2 4.11Å; I84-L87 HydrophobicContact CD1-CD2 4.04Å; I84-L87 HydrophobicContact CG2-CB 3.98Å; I84-L87 HydrophobicContact CG2-CD2 4.43Å; I84-L87 PolarHBondContact O-N 3.2Å; D85-L87 PolarHBondContact O-N 2.85Å
88	D	81.2	Confident	83	Confident	51 Å²	51	58.2 Å²	58.2	27%	0.273	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-37.7	-173.3	-57.5	-57.4	0	0	0	112.6	S35 L70 L83 I84	S35-D88 WeakPolarHBondContact CB-O 3.25Å; S35-D88 PolarHBondContact N-O 3.26Å; L70-D88 WeakPolarHBondContact CD2-O 3.18Å; L83-D88 HydrophobicContact CB-CB 4.31Å; L83-D88 HydrophobicContact CD2-CB 3.8Å; I84-D88 PolarHBondContact N-OD2 3Å; I84-D88 PolarHBondContact O-N 3Å
89	Y	89.9	Confident	84.1	Confident	18 Å²	18	60.3 Å²	60.3	7%	0.071	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	169.9	172.2	61.1	-90.9	0	0	0	112.4	L32 V33 L83 D85 E86 L91 V131	L32-Y89 HydrophobicContact CD2-CD1 3.93Å; L32-Y89 HydrophobicContact CD2-CD2 3.89Å; L32-Y89 HydrophobicContact CD2-CE1 4.27Å; L32-Y89 HydrophobicContact CD2-CE2 4.23Å; L32-Y89 HydrophobicContact CD2-CG 3.74Å; L32-Y89 HydrophobicContact CG-CD2 3.76Å; L32-Y89 HydrophobicContact CG-CE2 4.27Å; L32-Y89 HydrophobicContact CG-CG 3.99Å; V33-Y89 CarbonylContact O-C 3.59Å; V33-Y89 WeakPolarHBondContact O-CA 3.2Å; V33-Y89 WeakPolarHBondContact O-CB 3.48Å; L83-Y89 HydrophobicContact CB-CD1 3.82Å; L83-Y89 HydrophobicContact CB-CE1 3.69Å; D85-Y89 HydrophobicContact CB-CE2 3.85Å; E86-Y89 WeakPolarHBondContact CA-O 3.31Å; E86-Y89 PolarHBondContact N-O 2.81Å; Y89-L91 HydrophobicContact CD2-CD2 4.12Å; Y89-L91 HydrophobicContact CD2-CG 4.13Å; Y89-L91 HydrophobicContact CE2-CD1 4.38Å; Y89-L91 HydrophobicContact CE2-CD2 3.92Å; Y89-L91 HydrophobicContact CE2-CG 3.87Å; Y89-V131 HydrophobicContact CE1-CG1 4.47Å; Y89-V131 HydrophobicContact CE2-CG2 4.3Å
90	I	88.6	Confident	84.6	Confident	23 Å²	23	59.7 Å²	59.7	12%	0.118	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.7	168.6	-63	-71.1	0	0	0	108	L20 V33 F38 E86 V92	L20-I90 HydrophobicContact CD2-CG2 4.44Å; V33-I90 PolarHBondContact N-O 2.76Å; V33-I90 PolarHBondContact O-N 2.9Å; F38-I90 HydrophobicContact CB-CB 4.45Å; F38-I90 HydrophobicContact CB-CG1 4.01Å; F38-I90 HydrophobicContact CD1-CB 4.29Å; F38-I90 HydrophobicContact CD1-CD1 4.45Å; F38-I90 HydrophobicContact CD1-CG1 3.79Å; F38-I90 HydrophobicContact CD1-CG2 4.11Å; F38-I90 HydrophobicContact CD2-CG2 4.47Å; F38-I90 HydrophobicContact CE1-CG2 4.16Å; F38-I90 HydrophobicContact CG-CB 4.19Å; F38-I90 HydrophobicContact CG-CG1 3.96Å; F38-I90 HydrophobicContact CG-CG2 4.27Å; F38-I90 HydrophobicContact CZ-CG2 4.39Å; E86-I90 HydrophobicContact CB-CD1 4.39Å; E86-I90 HydrophobicContact CG-CD1 4.31Å; I90-V92 HydrophobicContact CG2-CG2 4.08Å
91	L	90.8	Very high	85.1	Confident	29 Å²	29	58.3 Å²	58.3	15%	0.152	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	123.1	174	-67.2	173.8	0	0	0	111.2	L20 W30 L32 D85 Y89 V129	L20-L91 WeakPolarHBondContact CD2-O 3.35Å; W30-L91 HydrophobicContact CE3-CB 4.08Å; L32-L91 HydrophobicContact CD1-CD2 3.71Å; L32-L91 HydrophobicContact CG-CD2 4.01Å; D85-L91 WeakPolarHBondContact OD2-CD1 3.27Å; Y89-L91 HydrophobicContact CD2-CD2 4.12Å; Y89-L91 HydrophobicContact CD2-CG 4.13Å; Y89-L91 HydrophobicContact CE2-CD1 4.38Å; Y89-L91 HydrophobicContact CE2-CD2 3.92Å; Y89-L91 HydrophobicContact CE2-CG 3.87Å; L91-V129 HydrophobicContact CD1-CB 4.02Å; L91-V129 HydrophobicContact CD1-CG2 3.89Å; L91-V129 HydrophobicContact CD2-CB 4.25Å; L91-V129 HydrophobicContact CD2-CG1 4.02Å; L91-V129 HydrophobicContact CD2-CG2 4.26Å
92	V	90.7	Very high	85.7	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.7	179.9	-174.1	0	0	0	0	109.9	L20 W30 Y31 V33 F38 I90 L100	L20-V92 HydrophobicContact CD2-CG2 4.37Å; W30-V92 VanDerWaalsContact CE3-C 3.49Å; Y31-V92 PolarHBondContact N-O 3.02Å; Y31-V92 PolarHBondContact O-N 2.81Å; V33-V92 HydrophobicContact CB-CG2 4.47Å; V33-V92 HydrophobicContact CG2-CB 4.2Å; V33-V92 HydrophobicContact CG2-CG2 3.57Å; F38-V92 HydrophobicContact CE2-CG2 4.39Å; I90-V92 HydrophobicContact CG2-CG2 4.08Å; V92-L100 HydrophobicContact CG1-CD1 4.26Å; V92-L100 HydrophobicContact CG2-CD1 4.44Å
93	P	91.8	Very high	86.6	Confident	9 Å²	9	51.4 Å²	51.4	6%	0.058	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	161	177.5	29.7	-36.1	0	0	0	111.3	L19 W30 E95 G96 W97	L19-P93 HydrophobicContact CB-CG 4.03Å; W30-P93 HydrophobicContact CD2-CB 4.07Å; W30-P93 HydrophobicContact CE3-CB 4.23Å; W30-P93 HydrophobicContact CH2-CB 4.04Å; W30-P93 HydrophobicContact CH2-CG 4.24Å; W30-P93 HydrophobicContact CZ2-CB 3.84Å; W30-P93 HydrophobicContact CZ2-CG 4.49Å; W30-P93 HydrophobicContact CZ3-CB 4.23Å; W30-P93 HydrophobicContact CZ3-CG 4.34Å; P93-E95 VanDerWaalsContact C-N 3.27Å; P93-E95 PolarHBondContact O-N 2.89Å; P93-E95 VanDerWaalsContact O-N 3.11Å; P93-G96 WeakPolarHBondContact O-CA 3.07Å; P93-G96 PolarHBondContact O-N 2.86Å; P93-W97 PolarHBondContact O-N 2.92Å
94	T	91.7	Very high	87.1	Confident	49 Å²	49	51.3 Å²	51.3	30%	0.301	27%	0.266	S	S	.	.	H	α-helix	trans	-47.2	-44.6	-178.1	-62.6	0	0	0	0	113.8	T29 Y31 G96 W97 N98	T29-T94 PolarHBondContact O-N 3.09Å; T29-T94 PolarHBondContact O-OG1 2.82Å; Y31-T94 HydrophobicContact CE2-CG2 4.19Å; T94-G96 PolarHBondContact O-N 2.6Å; T94-W97 PolarHBondContact O-N 2.86Å; T94-N98 WeakPolarHBondContact O-CB 3.46Å; T94-N98 PolarHBondContact O-N 3.25Å; T94-N98 PolarHBondContact O-ND2 2.7Å
95	E	89.2	Confident	87.8	Confident	131 Å²	131	48 Å²	48	61%	0.612	26%	0.255	S	S	*	.	H	α-helix	trans	-66.9	-34.9	179.3	-64.2	-173.2	176.1	0	0	113.2	L19 P93 K99	L19-E95 HydrophobicContact CD1-CB 4.24Å; L19-E95 HydrophobicContact CD2-CB 4Å; P93-E95 VanDerWaalsContact C-N 3.27Å; P93-E95 PolarHBondContact O-N 2.89Å; P93-E95 VanDerWaalsContact O-N 3.11Å; E95-K99 WeakPolarHBondContact O-CG 3.44Å; E95-K99 PolarHBondContact O-N 3.47Å; E95-K99 VanDerWaalsContact O-N 3.17Å
96	G	90.4	Very high	88.5	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-72	-42.2	177.4	0	0	0	0	0	111.8	P93 T94 K99 L100	P93-G96 WeakPolarHBondContact O-CA 3.07Å; P93-G96 PolarHBondContact O-N 2.86Å; T94-G96 PolarHBondContact O-N 2.6Å; G96-K99 PolarHBondContact O-N 3.24Å; G96-L100 WeakPolarHBondContact O-CG 3.47Å; G96-L100 PolarHBondContact O-N 3.26Å
97	W	92.4	Very high	89.1	Confident	8 Å²	8	41.6 Å²	41.6	3%	0.03	23%	0.227	C	C	.	.	H	α-helix	trans	-58.4	-49.6	173.8	173.4	-97.6	0	0	0	111.4	Y31 V33 V65 P93 T94 K99 L100 V101 L106 P112	Y31-W97 HydrophobicContact CD1-CB 4.43Å; Y31-W97 AromaticContact CD1-CD1 3.75Å; Y31-W97 AromaticContact CD1-CD2 3.73Å; Y31-W97 HydrophobicContact CD1-CD2 3.73Å; Y31-W97 AromaticContact CD1-CE2 3.84Å; Y31-W97 HydrophobicContact CD1-CE3 4.36Å; Y31-W97 AromaticContact CD1-CG 3.71Å; Y31-W97 HydrophobicContact CD1-CG 3.71Å; Y31-W97 AromaticContact CD1-NE1 3.82Å; Y31-W97 HydrophobicContact CD2-CB 3.62Å; Y31-W97 AromaticContact CD2-CG 3.78Å; Y31-W97 HydrophobicContact CD2-CG 3.78Å; Y31-W97 AromaticContact CE1-CD1 3.78Å; Y31-W97 HydrophobicContact CE1-CD2 4.48Å; Y31-W97 HydrophobicContact CE1-CG 4.18Å; Y31-W97 AromaticContact CE1-NE1 3.85Å; Y31-W97 HydrophobicContact CE2-CB 4.27Å; Y31-W97 HydrophobicContact CE2-CG 4.27Å; Y31-W97 HydrophobicContact CG-CB 3.73Å; Y31-W97 AromaticContact CG-CD1 3.92Å; Y31-W97 AromaticContact CG-CD2 3.74Å; Y31-W97 HydrophobicContact CG-CD2 3.74Å; Y31-W97 HydrophobicContact CG-CE3 4.2Å; Y31-W97 AromaticContact CG-CG 3.49Å; Y31-W97 HydrophobicContact CG-CG 3.49Å; Y31-W97 VanDerWaalsContact CG-CG 3.49Å; Y31-W97 AromaticContact CZ-CD1 3.99Å; V33-W97 HydrophobicContact CG2-CE3 3.91Å; V33-W97 HydrophobicContact CG2-CZ3 3.95Å; V65-W97 HydrophobicContact CG1-CH2 4Å; V65-W97 HydrophobicContact CG1-CZ3 3.94Å; P93-W97 PolarHBondContact O-N 2.92Å; T94-W97 PolarHBondContact O-N 2.86Å; W97-K99 VanDerWaalsContact C-N 3.27Å; W97-K99 PolarHBondContact O-N 2.61Å; W97-L100 PolarHBondContact O-N 3.24Å; W97-V101 HydrophobicContact CD2-CG2 4.02Å; W97-V101 HydrophobicContact CH2-CG2 4.16Å; W97-V101 HydrophobicContact CZ2-CG2 3.59Å; W97-V101 PolarHBondContact O-N 3.31Å; W97-L106 HydrophobicContact CH2-CD1 3.77Å; W97-L106 HydrophobicContact CZ2-CD1 4.05Å; W97-L106 HydrophobicContact CZ2-CD2 4.3Å; W97-P112 HydrophobicContact CH2-CB 4.48Å; W97-P112 HydrophobicContact CZ2-CB 3.56Å; W97-P112 HydrophobicContact CZ2-CG 3.88Å
98	N	92.1	Very high	89.4	Confident	90 Å²	90	46 Å²	46	48%	0.481	25%	0.246	S	C	.	.	H	α-helix	trans	-59.6	-36.6	178.8	-69.7	-15	0	0	0	112.3	T94 S102	T94-N98 WeakPolarHBondContact O-CB 3.46Å; T94-N98 PolarHBondContact O-N 3.25Å; T94-N98 PolarHBondContact O-ND2 2.7Å; N98-S102 WeakPolarHBondContact O-CB 3.4Å; N98-S102 PolarHBondContact O-N 3.34Å
99	K	90.7	Very high	89	Confident	58 Å²	58	46.9 Å²	46.9	25%	0.252	27%	0.266	S	S	.	.	H	α-helix	trans	-67.4	-49.3	174	-77.8	171.7	176.6	-68.5	0	112.4	E15 I16 L19 E95 G96 W97 V101 S102 W103	E15-K99 HydrophobicContact CB-CD 4.41Å; E15-K99 IonicContact OE1-NZ 2.59Å; E15-K99 PolarHBondContact OE1-NZ 3.03Å; E15-K99 WeakPolarHBondContact OE2-CE 3.37Å; E15-K99 IonicContact OE2-NZ 2.63Å; E15-K99 PolarHBondContact OE2-NZ 3.06Å; I16-K99 HydrophobicContact CD1-CB 4.26Å; L19-K99 HydrophobicContact CD1-CD 3.86Å; E95-K99 WeakPolarHBondContact O-CG 3.44Å; E95-K99 PolarHBondContact O-N 3.47Å; E95-K99 VanDerWaalsContact O-N 3.17Å; G96-K99 PolarHBondContact O-N 3.24Å; W97-K99 VanDerWaalsContact C-N 3.27Å; W97-K99 PolarHBondContact O-N 2.61Å; K99-V101 PolarHBondContact O-N 2.89Å; K99-S102 PolarHBondContact O-N 3.33Å; K99-S102 VanDerWaalsContact O-N 3.16Å; K99-W103 HydrophobicContact CB-CD2 4.48Å; K99-W103 HydrophobicContact CB-CE3 4.38Å; K99-W103 HydrophobicContact CB-CH2 3.82Å; K99-W103 HydrophobicContact CB-CZ2 3.92Å; K99-W103 HydrophobicContact CB-CZ3 4.06Å; K99-W103 HydrophobicContact CD-CH2 4.15Å; K99-W103 HydrophobicContact CD-CZ2 4.26Å; K99-W103 HydrophobicContact CG-CH2 4.29Å; K99-W103 HydrophobicContact CG-CZ2 4.12Å; K99-W103 VanDerWaalsContact O-CD2 3.25Å; K99-W103 VanDerWaalsContact O-CG 3.24Å; K99-W103 PolarHBondContact O-N 3.27Å
100	L	90.1	Very high	88.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.7	-48.1	178.8	-67.8	171.2	0	0	0	111.6	I16 W37 F38 W41 V92 G96 W97 S102 W103 Y104	I16-L100 HydrophobicContact CD1-CD2 4.2Å; I16-L100 HydrophobicContact CD1-CG 4.07Å; I16-L100 HydrophobicContact CG1-CD2 4.3Å; W37-L100 HydrophobicContact CH2-CD2 4.17Å; W37-L100 HydrophobicContact CZ3-CD1 4.4Å; W37-L100 HydrophobicContact CZ3-CD2 4.24Å; F38-L100 HydrophobicContact CE2-CD1 4.16Å; W41-L100 HydrophobicContact CD2-CD2 4.32Å; W41-L100 HydrophobicContact CZ2-CD2 4.32Å; V92-L100 HydrophobicContact CG1-CD1 4.26Å; V92-L100 HydrophobicContact CG2-CD1 4.44Å; G96-L100 WeakPolarHBondContact O-CG 3.47Å; G96-L100 PolarHBondContact O-N 3.26Å; W97-L100 PolarHBondContact O-N 3.24Å; L100-S102 VanDerWaalsContact C-N 3.33Å; L100-S102 PolarHBondContact O-N 3.35Å; L100-W103 HydrophobicContact CD2-CE3 4.42Å; L100-W103 PolarHBondContact O-N 3.28Å; L100-Y104 PolarHBondContact O-N 3.18Å
101	V	89.9	Confident	88.4	Confident	43 Å²	43	51.8 Å²	51.8	26%	0.261	29%	0.289	S	S	.	.	H	α-helix	trans	-65.9	-34.7	176.7	177.1	0	0	0	0	111.7	W97 K99 W103 G105 L106	W97-V101 HydrophobicContact CD2-CG2 4.02Å; W97-V101 HydrophobicContact CH2-CG2 4.16Å; W97-V101 HydrophobicContact CZ2-CG2 3.59Å; W97-V101 PolarHBondContact O-N 3.31Å; K99-V101 PolarHBondContact O-N 2.89Å; V101-W103 VanDerWaalsContact C-N 3.3Å; V101-W103 PolarHBondContact O-N 2.88Å; V101-G105 WeakPolarHBondContact O-CA 3.27Å; V101-G105 PolarHBondContact O-N 2.67Å; V101-L106 HydrophobicContact CG1-CB 4.32Å
102	S	89.8	Confident	88.2	Confident	93 Å²	93	53 Å²	53	65%	0.65	30%	0.299	S	S	*	.	H	α-helix	trans	-70.5	-20.2	174.9	-175	0	0	0	0	114.3	N98 K99 L100	N98-S102 WeakPolarHBondContact O-CB 3.4Å; N98-S102 PolarHBondContact O-N 3.34Å; K99-S102 PolarHBondContact O-N 3.33Å; K99-S102 VanDerWaalsContact O-N 3.16Å; L100-S102 VanDerWaalsContact C-N 3.33Å; L100-S102 PolarHBondContact O-N 3.35Å
103	W	90.4	Very high	88	Confident	38 Å²	38	53.3 Å²	53.3	14%	0.144	30%	0.3	C	S	.	.	H	α-helix	trans	-97.6	-34.8	179.3	-63.3	-28	0	0	0	113.3	A6 A7 Q12 E15 I16 K99 L100 V101	A6-W103 HydrophobicContact CB-CB 3.98Å; A6-W103 HydrophobicContact CB-CG 4.15Å; A7-W103 HydrophobicContact CB-CZ2 4.12Å; Q12-W103 HydrophobicContact CB-CE3 4.19Å; Q12-W103 HydrophobicContact CB-CH2 4Å; Q12-W103 HydrophobicContact CB-CZ3 3.74Å; Q12-W103 HydrophobicContact CG-CD2 3.9Å; Q12-W103 HydrophobicContact CG-CE3 3.68Å; Q12-W103 HydrophobicContact CG-CH2 3.86Å; Q12-W103 HydrophobicContact CG-CZ2 4.06Å; Q12-W103 HydrophobicContact CG-CZ3 3.66Å; E15-W103 VanDerWaalsContact OE2-CZ2 3.31Å; E15-W103 WeakPolarHBondContact OE2-CZ2 3.43Å; I16-W103 HydrophobicContact CD1-CH2 4.41Å; I16-W103 HydrophobicContact CD1-CZ3 4.08Å; I16-W103 HydrophobicContact CG1-CH2 4.17Å; I16-W103 HydrophobicContact CG1-CZ3 3.76Å; K99-W103 HydrophobicContact CB-CD2 4.48Å; K99-W103 HydrophobicContact CB-CE3 4.38Å; K99-W103 HydrophobicContact CB-CH2 3.82Å; K99-W103 HydrophobicContact CB-CZ2 3.92Å; K99-W103 HydrophobicContact CB-CZ3 4.06Å; K99-W103 HydrophobicContact CD-CH2 4.15Å; K99-W103 HydrophobicContact CD-CZ2 4.26Å; K99-W103 HydrophobicContact CG-CH2 4.29Å; K99-W103 HydrophobicContact CG-CZ2 4.12Å; K99-W103 VanDerWaalsContact O-CD2 3.25Å; K99-W103 VanDerWaalsContact O-CG 3.24Å; K99-W103 PolarHBondContact O-N 3.27Å; L100-W103 HydrophobicContact CD2-CE3 4.42Å; L100-W103 PolarHBondContact O-N 3.28Å; V101-W103 VanDerWaalsContact C-N 3.3Å; V101-W103 PolarHBondContact O-N 2.88Å
104	Y	89.3	Confident	87.8	Confident	18 Å²	18	54.7 Å²	54.7	7%	0.071	31%	0.313	C	S	.	.	H	α-helix	trans	-117.8	-20.5	-171.9	-65.2	-81	0	0	0	114	Q12 W37 W41 Y44 Y61 P62 G63 P64 L100	Q12-Y104 VanDerWaalsContact OE1-CE2 3.27Å; Q12-Y104 PolarHBondContact OE1-OH 2.96Å; W37-Y104 HydrophobicContact CH2-CD2 4.04Å; W37-Y104 HydrophobicContact CH2-CG 4.26Å; W37-Y104 HydrophobicContact CZ2-CD1 4.47Å; W37-Y104 HydrophobicContact CZ2-CD2 4.2Å; W37-Y104 AromaticContact CZ2-CG 3.94Å; W37-Y104 HydrophobicContact CZ2-CG 3.94Å; W41-Y104 AromaticContact CD1-CE2 3.48Å; W41-Y104 VanDerWaalsContact CD1-CE2 3.48Å; W41-Y104 AromaticContact CD1-CZ 3.6Å; W41-Y104 AromaticContact NE1-CE2 3.5Å; W41-Y104 AromaticContact NE1-CZ 3.83Å; Y44-Y104 HydrophobicContact CD1-CE1 4.4Å; Y44-Y104 WeakPolarHBondContact CD1-OH 3.44Å; Y44-Y104 HydrophobicContact CE1-CE1 4.26Å; Y44-Y104 WeakPolarHBondContact CE1-OH 3.42Å; Y61-Y104 HydrophobicContact CD2-CE1 4.45Å; Y61-Y104 HydrophobicContact CE2-CD1 4.12Å; Y61-Y104 AromaticContact CE2-CE1 3.79Å; Y61-Y104 HydrophobicContact CE2-CE1 3.79Å; P62-Y104 HydrophobicContact CG-CD1 3.72Å; P62-Y104 HydrophobicContact CG-CE1 3.51Å; P62-Y104 HydrophobicContact CG-CG 4.49Å; G63-Y104 WeakPolarHBondContact O-CB 3.25Å; P64-Y104 VanDerWaalsContact CA-O 3.27Å; P64-Y104 WeakPolarHBondContact CA-O 3.41Å; L100-Y104 PolarHBondContact O-N 3.18Å
105	G	89.2	Confident	87.6	Confident	27 Å²	27	54.8 Å²	54.8	28%	0.278	31%	0.307	S	S	.	.			trans	82.4	175.8	-168.2	0	0	0	0	0	113.1	V65 V101	V65-G105 WeakPolarHBondContact CG2-O 3.3Å; V65-G105 PolarHBondContact N-O 3.14Å; V101-G105 WeakPolarHBondContact O-CA 3.27Å; V101-G105 PolarHBondContact O-N 2.67Å
106	L	89.8	Confident	87.6	Confident	45 Å²	45	53.5 Å²	53.5	24%	0.236	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-113.3	148.8	169.7	-176.5	62.9	0	0	0	107.9	V65 W97 V101 Q110 P112	V65-L106 HydrophobicContact CB-CD1 3.96Å; V65-L106 HydrophobicContact CG1-CD1 4.09Å; W97-L106 HydrophobicContact CH2-CD1 3.77Å; W97-L106 HydrophobicContact CZ2-CD1 4.05Å; W97-L106 HydrophobicContact CZ2-CD2 4.3Å; V101-L106 HydrophobicContact CG1-CB 4.32Å; L106-Q110 VanDerWaalsContact CD2-O 3.26Å; L106-Q110 WeakPolarHBondContact CD2-O 3.37Å; L106-Q110 HydrophobicContact CG-CB 4.38Å; L106-P112 HydrophobicContact CD2-CG 4.2Å
107	T	88.4	Confident	87.4	Confident	41 Å²	41	53.7 Å²	53.7	25%	0.252	30%	0.301	S	S	.	.			trans	-63.2	137.2	179.3	-63.6	0	0	0	0	110.9	V65 D66 G109 Q110	V65-T107 WeakPolarHBondContact O-CB 3.37Å; V65-T107 PolarHBondContact O-N 2.72Å; V65-T107 PolarHBondContact O-OG1 3.31Å; D66-T107 WeakPolarHBondContact CA-OG1 3.33Å; T107-G109 PolarHBondContact O-N 3.05Å; T107-Q110 HydrophobicContact CG2-CG 4.41Å; T107-Q110 PolarHBondContact O-N 3.15Å; T107-Q110 VanDerWaalsContact O-N 3.1Å
108	E	80.2	Confident	87	Confident	195 Å²	195	54 Å²	54	91%	0.911	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	129.5	-174.6	-169.9	166.5	-160.3	0	0	111.1
109	G	74.3	Confident	86.3	Confident	69 Å²	69	52.7 Å²	52.7	71%	0.711	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	-3.5	-175.9	0	0	0	0	0	116.2	T107	T107-G109 PolarHBondContact O-N 3.05Å
110	Q	82.3	Confident	85.1	Confident	34 Å²	34	52.8 Å²	52.8	16%	0.159	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-94	146.6	175.2	-63.1	-176.6	8.7	0	0	112.5	D66 L106 T107	D66-Q110 PolarHBondContact OD1-NE2 2.62Å; L106-Q110 VanDerWaalsContact CD2-O 3.26Å; L106-Q110 WeakPolarHBondContact CD2-O 3.37Å; L106-Q110 HydrophobicContact CG-CB 4.38Å; T107-Q110 HydrophobicContact CG2-CG 4.41Å; T107-Q110 PolarHBondContact O-N 3.15Å; T107-Q110 VanDerWaalsContact O-N 3.1Å
111	E	83.4	Confident	83.1	Confident	109 Å²	109	53.7 Å²	53.7	51%	0.509	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-103.2	153.9	170.1	-66.3	-158.6	156.7	0	0	112.2	V76 I113	V76-E111 HydrophobicContact CG1-CB 4.27Å; V76-E111 HydrophobicContact CG1-CG 4.32Å; E111-I113 PolarHBondContact O-N 2.81Å
112	P	85.8	Confident	80.9	Confident	55 Å²	55	56 Å²	56	36%	0.357	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-61.7	122.1	174.9	-24.5	35.5	0	0	0	112.9	Y31 W97 L106 A114	Y31-P112 HydrophobicContact CD1-CB 3.78Å; Y31-P112 HydrophobicContact CE1-CB 3.58Å; W97-P112 HydrophobicContact CH2-CB 4.48Å; W97-P112 HydrophobicContact CZ2-CB 3.56Å; W97-P112 HydrophobicContact CZ2-CG 3.88Å; L106-P112 HydrophobicContact CD2-CG 4.2Å; P112-A114 PolarHBondContact O-N 2.81Å
113	I	87.3	Confident	78.4	Confident	7 Å²	7	57.3 Å²	57.3	4%	0.036	31%	0.309	C	S	.	.			trans	-76.8	74.8	177.4	-52.2	178.6	0	0	0	110.1	Y31 L32 N67 L70 L71 I79 E111	Y31-I113 WeakPolarHBondContact CA-O 3.48Å; L32-I113 HydrophobicContact CB-CB 4.14Å; L32-I113 HydrophobicContact CB-CG2 3.99Å; L32-I113 HydrophobicContact CD1-CG2 4.35Å; L32-I113 HydrophobicContact CD2-CG2 4.36Å; L32-I113 HydrophobicContact CG-CG2 4.46Å; L32-I113 PolarHBondContact N-O 3.11Å; N67-I113 HydrophobicContact CB-CD1 3.77Å; N67-I113 HydrophobicContact CB-CG1 4.47Å; L70-I113 HydrophobicContact CB-CD1 3.99Å; L70-I113 HydrophobicContact CD1-CD1 4.09Å; L71-I113 HydrophobicContact CD2-CD1 3.65Å; L71-I113 HydrophobicContact CD2-CG1 4.19Å; L71-I113 HydrophobicContact CG-CD1 4.1Å; I79-I113 HydrophobicContact CG2-CD1 4.12Å; I79-I113 HydrophobicContact CG2-CG2 3.79Å; E111-I113 PolarHBondContact O-N 2.81Å
114	A	87.6	Confident	76.2	Confident	38 Å²	38	61.3 Å²	61.3	31%	0.314	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	139.4	176.8	0	0	0	0	0	111.6	T29 Y31 P112	T29-A114 HydrophobicContact CG2-CB 3.83Å; Y31-A114 HydrophobicContact CD1-CB 4.09Å; Y31-A114 HydrophobicContact CE1-CB 3.71Å; P112-A114 PolarHBondContact O-N 2.81Å
115	R	87.4	Confident	74.8	Confident	51 Å²	51	65.9 Å²	65.9	19%	0.192	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	155.5	174.6	-66.8	-62.2	-176.7	-95.8	6.2	110.5	W30 L32 L77 V129 E130 V131	W30-R115 PolarHBondContact N-O 2.96Å; W30-R115 PolarHBondContact O-N 3.38Å; W30-R115 VanDerWaalsContact O-O 3.12Å; L32-R115 HydrophobicContact CD1-CB 4.16Å; L32-R115 HydrophobicContact CD1-CG 3.6Å; L77-R115 PolarHBondContact O-NH2 2.88Å; R115-V129 HydrophobicContact CB-CG1 3.5Å; R115-V129 VanDerWaalsContact CB-CG1 3.5Å; R115-E130 WeakPolarHBondContact CB-O 3.46Å; R115-E130 WeakPolarHBondContact CD-O 3.43Å; R115-V131 PolarHBondContact NE-O 3.28Å
116	K	88	Confident	73.9	Confident	104 Å²	104	69.3 Å²	69.3	45%	0.452	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	145.3	-175.7	-78.7	-57.4	-163.3	-178.7	0	112.3	G27 D28 T29 E130	G27-K116 PolarHBondContact O-NZ 3.29Å; D28-K116 WeakPolarHBondContact O-CD 3.3Å; T29-K116 PolarHBondContact OG1-NZ 3.05Å; K116-E130 PolarHBondContact O-N 2.88Å
117	V	86.5	Confident	73.5	Confident	4 Å²	4	69.1 Å²	69.1	2%	0.024	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	117.4	169	178.8	0	0	0	0	109.6	L24 R25 G27 D28 W30 C127 K128 V129	L24-V117 HydrophobicContact CB-CG1 4.07Å; L24-V117 HydrophobicContact CD2-CG2 3.81Å; R25-V117 WeakPolarHBondContact O-CB 3.27Å; R25-V117 WeakPolarHBondContact O-CG1 3.34Å; G27-V117 PolarHBondContact N-O 3.46Å; D28-V117 HydrophobicContact CB-CB 4.21Å; D28-V117 HydrophobicContact CB-CG2 3.86Å; D28-V117 PolarHBondContact O-N 2.88Å; W30-V117 HydrophobicContact CG-CG2 4.28Å; V117-C127 HydrophobicContact CG1-CB 3.61Å; V117-K128 CarbonylContact C-O 3.56Å; V117-K128 WeakPolarHBondContact CA-O 3.41Å; V117-V129 HydrophobicContact CG2-CG2 3.97Å
118	V	83.9	Confident	73.3	Confident	15 Å²	15	72.3 Å²	72.3	9%	0.091	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	161.3	174.5	-58.8	0	0	0	0	110.5	C127 K128 E130 A155	V118-C127 WeakPolarHBondContact O-CA 3.49Å; V118-K128 PolarHBondContact N-O 3.13Å; V118-K128 PolarHBondContact O-N 3.2Å; V118-E130 HydrophobicContact CG1-CB 3.89Å; V118-E130 HydrophobicContact CG2-CB 3.94Å; V118-A155 HydrophobicContact CG1-CB 4.46Å
119	E	78.4	Confident	73.5	Confident	62 Å²	62	63.4 Å²	63.4	29%	0.29	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	115.9	165.4	-73.3	170.2	166.7	0	0	108.6	K26 K125	K26-E119 HydrophobicContact CB-CG 4.28Å; K26-E119 HydrophobicContact CD-CG 3.85Å; K26-E119 WeakPolarHBondContact CD-OE1 3.24Å; K26-E119 WeakPolarHBondContact CE-OE2 3.25Å; K26-E119 HydrophobicContact CG-CG 4.08Å; K26-E119 IonicContact NZ-OE1 2.85Å; K26-E119 IonicContact NZ-OE2 2.72Å; K26-E119 PolarHBondContact NZ-OE2 2.76Å; E119-K125 HydrophobicContact CB-CB 4.2Å; E119-K125 HydrophobicContact CB-CD 4.12Å; E119-K125 HydrophobicContact CB-CG 4.28Å; E119-K125 HydrophobicContact CG-CB 4.37Å; E119-K125 HydrophobicContact CG-CD 4.42Å; E119-K125 IonicContact OE2-NZ 3.15Å; E119-K125 PolarHBondContact OE2-NZ 3.1Å
120	Q	65.4	Low	74.1	Confident	61 Å²	61	60.9 Å²	60.9	29%	0.285	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	134.8	172.8	-170.5	174	-2.9	0	0	109.7	H126 K128	Q120-H126 PolarHBondContact N-O 3.01Å; Q120-H126 PolarHBondContact O-CE1 2.86Å; Q120-H126 VanDerWaalsContact O-CE1 3.31Å; Q120-H126 PolarHBondContact O-N 3.49Å; Q120-H126 PolarHBondContact O-ND1 3.38Å; Q120-K128 VanDerWaalsContact OE1-CD 3.27Å
121	G	48.3	Very low	74.1	Confident	18 Å²	18	59.9 Å²	59.9	19%	0.186	30%	0.302	C	S	.	.			trans	117.3	134.8	174.8	0	0	0	0	0	112.9	K125	G121-K125 WeakPolarHBondContact O-CG 3.49Å
122	M	43	Very low	74	Confident	92 Å²	92	58.1 Å²	58.1	45%	0.453	29%	0.292	S	S	.	.	S	Bend	trans	-82.1	-25.1	-171.4	-63.6	171.8	81.8	0	0	113.7
123	F	37	Very low	73.8	Confident	121 Å²	121	59.3 Å²	59.3	53%	0.531	30%	0.295	S	S	.	.	S	Bend	trans	-123.9	-40.4	-177.8	-54.2	-76.4	0	0	0	112.7	R371	F123-R371 HydrophobicContact CD2-CG 4.24Å; F123-R371 HydrophobicContact CE2-CB 4.37Å; F123-R371 HydrophobicContact CE2-CG 3.19Å; F123-R371 HydrophobicContact CZ-CG 3.39Å
124	V	44.3	Very low	73.4	Confident	121 Å²	121	59.2 Å²	59.2	73%	0.733	29%	0.294	S	S	*	.	S	Bend	trans	-112	99.8	167.6	-177	0	0	0	0	108.3	H126	V124-H126 PolarHBondContact O-N 2.66Å
125	K	59.9	Low	73.2	Confident	115 Å²	115	59.6 Å²	59.6	50%	0.5	29%	0.29	S	S	.	.			trans	-75.5	110.2	177.4	-75.6	-177.3	168.2	-157.2	0	110.2	E119 G121	E119-K125 HydrophobicContact CB-CB 4.2Å; E119-K125 HydrophobicContact CB-CD 4.12Å; E119-K125 HydrophobicContact CB-CG 4.28Å; E119-K125 HydrophobicContact CG-CB 4.37Å; E119-K125 HydrophobicContact CG-CD 4.42Å; E119-K125 IonicContact OE2-NZ 3.15Å; E119-K125 PolarHBondContact OE2-NZ 3.1Å; G121-K125 WeakPolarHBondContact O-CG 3.49Å
126	H	69.9	Low	73.2	Confident	99 Å²	99	57.2 Å²	57.2	46%	0.458	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	143.5	170.3	60.4	-84.5	0	0	0	110	Q120 V124	Q120-H126 PolarHBondContact N-O 3.01Å; Q120-H126 PolarHBondContact O-CE1 2.86Å; Q120-H126 VanDerWaalsContact O-CE1 3.31Å; Q120-H126 PolarHBondContact O-N 3.49Å; Q120-H126 PolarHBondContact O-ND1 3.38Å; V124-H126 PolarHBondContact O-N 2.66Å
127	C	81.8	Confident	73.2	Confident	40 Å²	40	56.1 Å²	56.1	27%	0.27	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	127.1	176.6	-74.8	0	0	0	0	110.1	L24 K26 V117 V118	L24-C127 HydrophobicContact CB-CB 3.74Å; L24-C127 VanDerWaalsContact CD1-O 3.28Å; L24-C127 WeakPolarHBondContact CD1-O 3.26Å; L24-C127 VanDerWaalsContact O-CB 3.32Å; L24-C127 WeakPolarHBondContact O-CB 3.36Å; K26-C127 PolarHBondContact N-SG 2.96Å; K26-C127 VanDerWaalsContact N-SG 3.41Å; V117-C127 HydrophobicContact CG1-CB 3.61Å; V118-C127 WeakPolarHBondContact O-CA 3.49Å
128	K	84.5	Confident	73.4	Confident	109 Å²	109	56 Å²	56	47%	0.474	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	146.2	175.6	-164.4	179.2	-175.2	174.7	0	110.6	V117 V118 Q120 E130	V117-K128 CarbonylContact C-O 3.56Å; V117-K128 WeakPolarHBondContact CA-O 3.41Å; V118-K128 PolarHBondContact N-O 3.13Å; V118-K128 PolarHBondContact O-N 3.2Å; Q120-K128 VanDerWaalsContact OE1-CD 3.27Å; K128-E130 PolarHBondContact O-N 3.19Å
129	V	84.8	Confident	73.6	Confident	7 Å²	7	55.2 Å²	55.2	4%	0.042	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	122	169.8	-176.4	0	0	0	0	109.5	L24 W30 L91 R115 V117 V131	L24-V129 HydrophobicContact CD2-CG2 3.87Å; W30-V129 HydrophobicContact CB-CG1 4.47Å; W30-V129 HydrophobicContact CB-CG2 3.78Å; W30-V129 HydrophobicContact CD2-CG2 4.44Å; W30-V129 HydrophobicContact CG-CG2 3.98Å; L91-V129 HydrophobicContact CD1-CB 4.02Å; L91-V129 HydrophobicContact CD1-CG2 3.89Å; L91-V129 HydrophobicContact CD2-CB 4.25Å; L91-V129 HydrophobicContact CD2-CG1 4.02Å; L91-V129 HydrophobicContact CD2-CG2 4.26Å; R115-V129 HydrophobicContact CB-CG1 3.5Å; R115-V129 VanDerWaalsContact CB-CG1 3.5Å; V117-V129 HydrophobicContact CG2-CG2 3.97Å; V129-V131 HydrophobicContact CG1-CG2 4.12Å; V129-V131 PolarHBondContact O-N 2.9Å
130	E	86.2	Confident	74.1	Confident	16 Å²	16	54.1 Å²	54.1	8%	0.075	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	94.4	170.8	-176.9	168.1	-124.8	0	0	109.4	R115 K116 V118 K128 Y132 S153 K154	R115-E130 WeakPolarHBondContact CB-O 3.46Å; R115-E130 WeakPolarHBondContact CD-O 3.43Å; K116-E130 PolarHBondContact O-N 2.88Å; V118-E130 HydrophobicContact CG1-CB 3.89Å; V118-E130 HydrophobicContact CG2-CB 3.94Å; K128-E130 PolarHBondContact O-N 3.19Å; E130-Y132 WeakPolarHBondContact CG-O 3.45Å; E130-S153 WeakPolarHBondContact OE2-CA 3.35Å; E130-S153 VanDerWaalsContact OE2-CB 3.28Å; E130-S153 WeakPolarHBondContact OE2-CB 3.04Å; E130-S153 PolarHBondContact OE2-OG 2.92Å; E130-K154 VanDerWaalsContact OE1-CB 3.29Å; E130-K154 WeakPolarHBondContact OE1-CB 3.15Å; E130-K154 VanDerWaalsContact OE1-CG 3.26Å; E130-K154 WeakPolarHBondContact OE1-CG 3.4Å; E130-K154 PolarHBondContact OE1-N 3.48Å
131	V	83.5	Confident	74.9	Confident	13 Å²	13	52.6 Å²	52.6	8%	0.079	26%	0.259	C	S	.	.			trans	-75.4	-35.8	-180	176.1	0	0	0	0	111.9	L32 I79 Y89 R115 V129	L32-V131 HydrophobicContact CD1-CG2 4.42Å; L32-V131 HydrophobicContact CD2-CG1 3.84Å; I79-V131 HydrophobicContact CD1-CG1 3.5Å; I79-V131 VanDerWaalsContact CD1-CG1 3.5Å; I79-V131 WeakPolarHBondContact CD1-O 3.42Å; Y89-V131 HydrophobicContact CE1-CG1 4.47Å; Y89-V131 HydrophobicContact CE2-CG2 4.3Å; R115-V131 PolarHBondContact NE-O 3.28Å; V129-V131 HydrophobicContact CG1-CG2 4.12Å; V129-V131 PolarHBondContact O-N 2.9Å
132	Y	81.3	Confident	76.2	Confident	72 Å²	72	56 Å²	56	28%	0.282	28%	0.281	S	S	.	.	S	Bend	trans	-120.1	125.2	-179.6	-64.8	-78.1	0	0	0	110.9	I79 K80 H82 L83 E130	I79-Y132 HydrophobicContact CD1-CD1 3.97Å; I79-Y132 HydrophobicContact CD1-CE1 3.56Å; I79-Y132 HydrophobicContact CG1-CD1 4.29Å; I79-Y132 HydrophobicContact CG1-CE1 3.77Å; K80-Y132 VanDerWaalsContact O-CE1 3.31Å; K80-Y132 WeakPolarHBondContact O-CE1 3.28Å; K80-Y132 PolarHBondContact O-OH 3.32Å; H82-Y132 PolarHBondContact N-OH 2.86Å; L83-Y132 VanDerWaalsContact CB-OH 3.29Å; L83-Y132 WeakPolarHBondContact CB-OH 3.37Å; L83-Y132 WeakPolarHBondContact CG-OH 3.48Å; L83-Y132 PolarHBondContact N-OH 3.34Å; E130-Y132 WeakPolarHBondContact CG-O 3.45Å
133	L	80.4	Confident	77.7	Confident	81 Å²	81	55.2 Å²	55.2	42%	0.424	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-72.1	148.7	166.8	-62.4	177.7	0	0	0	109.9	E135 R151 F152	L133-E135 PolarHBondContact O-N 3.19Å; L133-R151 HydrophobicContact CB-CB 4.11Å; L133-R151 HydrophobicContact CD1-CB 4.21Å; L133-F152 CarbonylContact C-O 3.51Å; L133-F152 WeakPolarHBondContact CB-O 3.28Å
134	T	79.2	Confident	79.5	Confident	4 Å²	4	51.3 Å²	51.3	3%	0.025	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	120.5	177.2	-50.8	0	0	0	0	109.3	L136 R151 F152 K154 I198	T134-L136 HydrophobicContact CG2-CD2 4.11Å; T134-L136 HydrophobicContact CG2-CG 4.38Å; T134-R151 WeakPolarHBondContact O-CA 3.3Å; T134-F152 PolarHBondContact N-O 2.92Å; T134-F152 PolarHBondContact O-N 2.97Å; T134-K154 WeakPolarHBondContact OG1-CE 3.09Å; T134-K154 VanDerWaalsContact OG1-CG 3.28Å; T134-K154 WeakPolarHBondContact OG1-CG 3.37Å; T134-I198 HydrophobicContact CG2-CG2 4.18Å
135	E	83.4	Confident	80.8	Confident	47 Å²	47	52.8 Å²	52.8	22%	0.22	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	126.1	177.5	-164.8	168.4	90.8	0	0	110	L133 T149 R150 R151 Q205 G206	L133-E135 PolarHBondContact O-N 3.19Å; E135-T149 VanDerWaalsContact CD-CG2 3.48Å; E135-T149 HydrophobicContact CG-CG2 3.32Å; E135-R150 CarbonylContact C-O 3.47Å; E135-R150 WeakPolarHBondContact CA-O 3.01Å; E135-R151 HydrophobicContact CB-CG 4.2Å; E135-R151 HydrophobicContact CG-CG 4.01Å; E135-R151 IonicContact OE2-CZ 2.73Å; E135-R151 VanDerWaalsContact OE2-CZ 3.23Å; E135-R151 IonicContact OE2-NE 3.73Å; E135-R151 PolarHBondContact OE2-NE 2.78Å; E135-R151 IonicContact OE2-NH2 3.64Å; E135-R151 PolarHBondContact OE2-NH2 3.12Å; E135-Q205 VanDerWaalsContact CB-NE2 3.32Å; E135-G206 PolarHBondContact O-N 2.81Å
136	L	86.7	Confident	81.8	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.5	-177.2	-62.1	177.1	0	0	0	109.9	T134 L138 R150 F152 I161 I198 L203 Y204 Q207 L209	T134-L136 HydrophobicContact CG2-CD2 4.11Å; T134-L136 HydrophobicContact CG2-CG 4.38Å; L136-L138 HydrophobicContact CB-CD2 4.1Å; L136-R150 PolarHBondContact N-O 2.97Å; L136-R150 PolarHBondContact O-N 3.35Å; L136-F152 HydrophobicContact CB-CD2 4.28Å; L136-F152 HydrophobicContact CB-CE2 4.3Å; L136-F152 HydrophobicContact CD1-CD2 3.84Å; L136-F152 HydrophobicContact CD1-CE2 4.23Å; L136-F152 HydrophobicContact CG-CD2 4.25Å; L136-I161 HydrophobicContact CD1-CD1 4.09Å; L136-I198 HydrophobicContact CD1-CD1 3.9Å; L136-L203 HydrophobicContact CD1-CD1 4.42Å; L136-Y204 WeakPolarHBondContact CD2-O 3.46Å; L136-Q207 HydrophobicContact CD2-CB 4.07Å; L136-L209 HydrophobicContact CD1-CD1 3.91Å
137	K	88.6	Confident	82.4	Confident	82 Å²	82	49.9 Å²	49.9	36%	0.357	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	119.5	176.4	-66	-177.6	-179.8	-177	0	108.8	M147 Q207 V208 L209	K137-M147 HydrophobicContact CD-SD 4.36Å; K137-Q207 PolarHBondContact N-O 2.79Å; K137-V208 HydrophobicContact CB-CG2 4.1Å; K137-V208 HydrophobicContact CD-CG2 4.39Å; K137-V208 CarbonylContact O-C 3.55Å; K137-V208 VanDerWaalsContact O-CA 3.3Å; K137-V208 WeakPolarHBondContact O-CA 3.41Å; K137-L209 PolarHBondContact O-N 3.35Å
138	L	91.4	Very high	82.6	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.5	-173.1	-49.4	-178.1	0	0	0	108.7	L136 I148 R150 F152 I161 M165 L168 F169 L209	L136-L138 HydrophobicContact CB-CD2 4.1Å; L138-I148 WeakPolarHBondContact CB-O 3.45Å; L138-I148 PolarHBondContact N-O 3.28Å; L138-I148 PolarHBondContact O-N 2.82Å; L138-R150 HydrophobicContact CD1-CB 3.78Å; L138-R150 HydrophobicContact CD1-CG 3.68Å; L138-R150 HydrophobicContact CG-CB 4.4Å; L138-F152 HydrophobicContact CD1-CE2 4.14Å; L138-F152 HydrophobicContact CD1-CZ 4.08Å; L138-F152 HydrophobicContact CD2-CE2 4.39Å; L138-I161 HydrophobicContact CD2-CG2 4.28Å; L138-M165 HydrophobicContact CB-CE 3.95Å; L138-M165 HydrophobicContact CB-CG 4.13Å; L138-M165 HydrophobicContact CB-SD 4.3Å; L138-M165 HydrophobicContact CD1-CG 3.75Å; L138-M165 HydrophobicContact CD2-CE 4.45Å; L138-M165 HydrophobicContact CD2-CG 4.19Å; L138-M165 HydrophobicContact CD2-SD 3.9Å; L138-M165 HydrophobicContact CG-CG 4.24Å; L138-M165 HydrophobicContact CG-SD 4.46Å; L138-L168 HydrophobicContact CD1-CD1 3.87Å; L138-F169 HydrophobicContact CB-CE2 4.28Å; L138-F169 HydrophobicContact CB-CZ 4.34Å; L138-L209 WeakPolarHBondContact CA-O 3.26Å; L138-L209 HydrophobicContact CD2-CB 4.02Å; L138-L209 HydrophobicContact CD2-CD1 4.28Å; L138-L209 HydrophobicContact CD2-CG 4.46Å
139	C	88.1	Confident	82.6	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	166.8	171.5	66.2	0	0	0	0	112.1	N146 M147 M165 L209 V210 I211	C139-N146 WeakPolarHBondContact CB-O 3.36Å; C139-M147 HydrophobicContact CB-CG 4.35Å; C139-M165 WeakPolarHBondContact O-CE 3.47Å; C139-L209 PolarHBondContact N-O 3.41Å; C139-V210 WeakPolarHBondContact O-CA 3.3Å; C139-I211 PolarHBondContact O-N 3.21Å
140	E	88.3	Confident	82.6	Confident	39 Å²	39	52.3 Å²	52.3	18%	0.182	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	147.2	172.9	-164.3	-177	177.9	0	0	110.2	S142 N143 M144 F169 I211 Q213	E140-S142 WeakPolarHBondContact CG-OG 3.45Å; E140-S142 PolarHBondContact O-N 3.37Å; E140-S142 PolarHBondContact OE1-OG 3.04Å; E140-S142 PolarHBondContact OE2-OG 2.95Å; E140-S142 VanDerWaalsContact OE2-OG 3.09Å; E140-N143 CarbonylContact O-C 3.57Å; E140-N143 PolarHBondContact O-N 3.45Å; E140-N143 VanDerWaalsContact O-N 3.1Å; E140-M144 PolarHBondContact O-N 2.7Å; E140-F169 HydrophobicContact CB-CD1 4.26Å; E140-F169 HydrophobicContact CB-CG 4.38Å; E140-I211 HydrophobicContact CG-CG2 4.36Å; E140-Q213 PolarHBondContact OE1-NE2 2.89Å
141	D	81.9	Confident	82.5	Confident	28 Å²	28	58.4 Å²	58.4	15%	0.15	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-33.2	178.4	-163.1	56.9	0	0	0	113.5	N143 V210 I211 E212 R222	D141-N143 VanDerWaalsContact C-N 3.3Å; D141-N143 PolarHBondContact O-N 2.87Å; D141-V210 HydrophobicContact CB-CG1 4.01Å; D141-I211 PolarHBondContact N-O 3.34Å; D141-E212 HydrophobicContact CB-CB 4.27Å; D141-R222 IonicContact OD1-CZ 2.76Å; D141-R222 IonicContact OD1-NE 3.29Å; D141-R222 PolarHBondContact OD1-NE 2.94Å; D141-R222 IonicContact OD1-NH2 3.77Å; D141-R222 PolarHBondContact OD1-NH2 2.77Å; D141-R222 IonicContact OD2-NE 3.93Å
142	S	76.4	Confident	82.6	Confident	91 Å²	91	58.5 Å²	58.5	64%	0.636	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-19	177.3	63.9	0	0	0	0	114	E140	E140-S142 WeakPolarHBondContact CG-OG 3.45Å; E140-S142 PolarHBondContact O-N 3.37Å; E140-S142 PolarHBondContact OE1-OG 3.04Å; E140-S142 PolarHBondContact OE2-OG 2.95Å; E140-S142 VanDerWaalsContact OE2-OG 3.09Å
143	N	75.2	Confident	82.7	Confident	74 Å²	74	56 Å²	56	40%	0.396	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	73.2	-173.9	-173.3	-7.4	0	0	0	110	E140 D141 D145 N146	E140-N143 CarbonylContact O-C 3.57Å; E140-N143 PolarHBondContact O-N 3.45Å; E140-N143 VanDerWaalsContact O-N 3.1Å; D141-N143 VanDerWaalsContact C-N 3.3Å; D141-N143 PolarHBondContact O-N 2.87Å; N143-D145 PolarHBondContact O-N 3.08Å; N143-N146 PolarHBondContact O-N 2.94Å; N143-N146 PolarHBondContact OD1-N 3.18Å
144	M	74.8	Confident	82.8	Confident	40 Å²	40	55.6 Å²	55.6	20%	0.197	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-15.8	-175.9	-57.9	-157	78.6	0	0	114.2	E140 M147 F188 V210	E140-M144 PolarHBondContact O-N 2.7Å; M144-M147 WeakPolarHBondContact O-CE 3.4Å; M144-F188 HydrophobicContact CE-CE1 3.79Å; M144-F188 HydrophobicContact CE-CZ 3.93Å; M144-F188 HydrophobicContact SD-CZ 4.48Å; M144-V210 HydrophobicContact CE-CG1 4.04Å; M144-V210 HydrophobicContact CE-CG2 3.7Å
145	D	71.1	Confident	82.9	Confident	151 Å²	151	57.7 Å²	57.7	81%	0.807	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	-25.4	179.7	-58.7	-40.4	0	0	0	111.8	N143 M147	N143-D145 PolarHBondContact O-N 3.08Å; D145-M147 VanDerWaalsContact C-N 3.34Å; D145-M147 PolarHBondContact O-N 3.14Å
146	N	80.8	Confident	83.1	Confident	78 Å²	78	57.2 Å²	57.2	42%	0.417	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	74.7	177.3	-174.7	26.1	0	0	0	112	C139 N143 I148	C139-N146 WeakPolarHBondContact CB-O 3.36Å; N143-N146 PolarHBondContact O-N 2.94Å; N143-N146 PolarHBondContact OD1-N 3.18Å; N146-I148 PolarHBondContact O-N 3.11Å
147	M	82.3	Confident	83.2	Confident	75 Å²	75	58.6 Å²	58.6	37%	0.369	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	104.4	-179.8	-61	-170.1	-168.8	0	0	112.7	K137 C139 M144 D145 V208	K137-M147 HydrophobicContact CD-SD 4.36Å; C139-M147 HydrophobicContact CB-CG 4.35Å; M144-M147 WeakPolarHBondContact O-CE 3.4Å; D145-M147 VanDerWaalsContact C-N 3.34Å; D145-M147 PolarHBondContact O-N 3.14Å; M147-V208 HydrophobicContact SD-CG2 4.38Å
148	I	85.4	Confident	83.2	Confident	45 Å²	45	54.9 Å²	54.9	23%	0.231	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	120.2	174.1	-56.8	179.7	0	0	0	109.4	L138 N146 L168 F169	L138-I148 WeakPolarHBondContact CB-O 3.45Å; L138-I148 PolarHBondContact N-O 3.28Å; L138-I148 PolarHBondContact O-N 2.82Å; N146-I148 PolarHBondContact O-N 3.11Å; I148-L168 HydrophobicContact CD1-CB 4.4Å; I148-L168 HydrophobicContact CG2-CD1 4.26Å; I148-L168 HydrophobicContact CG2-CD2 4.4Å; I148-F169 HydrophobicContact CD1-CD1 4.41Å; I148-F169 HydrophobicContact CD1-CE1 3.64Å; I148-F169 HydrophobicContact CD1-CZ 3.97Å; I148-F169 HydrophobicContact CG1-CE1 4.21Å; I148-F169 HydrophobicContact CG1-CZ 4.31Å
149	T	84.9	Confident	83	Confident	65 Å²	65	57.2 Å²	57.2	40%	0.399	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	133.7	179.2	-58.1	0	0	0	0	111.3	E135	E135-T149 VanDerWaalsContact CD-CG2 3.48Å; E135-T149 HydrophobicContact CG-CG2 3.32Å
150	R	84.7	Confident	83.1	Confident	98 Å²	98	61.3 Å²	61.3	37%	0.37	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	156.1	179.9	-77	-76.1	154.8	155.5	-14.5	111.4	E135 L136 L138 F152 E164 L168	E135-R150 CarbonylContact C-O 3.47Å; E135-R150 WeakPolarHBondContact CA-O 3.01Å; L136-R150 PolarHBondContact N-O 2.97Å; L136-R150 PolarHBondContact O-N 3.35Å; L138-R150 HydrophobicContact CD1-CB 3.78Å; L138-R150 HydrophobicContact CD1-CG 3.68Å; L138-R150 HydrophobicContact CG-CB 4.4Å; R150-F152 HydrophobicContact CB-CD2 4.36Å; R150-F152 HydrophobicContact CB-CE2 3.59Å; R150-F152 HydrophobicContact CB-CZ 4.02Å; R150-E164 IonicContact CZ-OE1 2.64Å; R150-E164 IonicContact NH1-OE1 2.82Å; R150-E164 PolarHBondContact NH1-OE1 2.9Å; R150-L168 HydrophobicContact CG-CD1 3.86Å
151	R	83.9	Confident	83.1	Confident	143 Å²	143	59.4 Å²	59.4	54%	0.54	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.4	179.8	-66.1	176.5	-177.4	150.1	8.9	110.4	L133 T134 E135	L133-R151 HydrophobicContact CB-CB 4.11Å; L133-R151 HydrophobicContact CD1-CB 4.21Å; T134-R151 WeakPolarHBondContact O-CA 3.3Å; E135-R151 HydrophobicContact CB-CG 4.2Å; E135-R151 HydrophobicContact CG-CG 4.01Å; E135-R151 IonicContact OE2-CZ 2.73Å; E135-R151 VanDerWaalsContact OE2-CZ 3.23Å; E135-R151 IonicContact OE2-NE 3.73Å; E135-R151 PolarHBondContact OE2-NE 2.78Å; E135-R151 IonicContact OE2-NH2 3.64Å; E135-R151 PolarHBondContact OE2-NH2 3.12Å
152	F	85.6	Confident	83.5	Confident	15 Å²	15	60.1 Å²	60.1	7%	0.066	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	152.3	-176.4	-61.9	-88.5	0	0	0	110.7	L133 T134 L136 L138 R150 D156 I161 E164 I198	L133-F152 CarbonylContact C-O 3.51Å; L133-F152 WeakPolarHBondContact CB-O 3.28Å; T134-F152 PolarHBondContact N-O 2.92Å; T134-F152 PolarHBondContact O-N 2.97Å; L136-F152 HydrophobicContact CB-CD2 4.28Å; L136-F152 HydrophobicContact CB-CE2 4.3Å; L136-F152 HydrophobicContact CD1-CD2 3.84Å; L136-F152 HydrophobicContact CD1-CE2 4.23Å; L136-F152 HydrophobicContact CG-CD2 4.25Å; L138-F152 HydrophobicContact CD1-CE2 4.14Å; L138-F152 HydrophobicContact CD1-CZ 4.08Å; L138-F152 HydrophobicContact CD2-CE2 4.39Å; R150-F152 HydrophobicContact CB-CD2 4.36Å; R150-F152 HydrophobicContact CB-CE2 3.59Å; R150-F152 HydrophobicContact CB-CZ 4.02Å; F152-D156 WeakPolarHBondContact CA-OD2 3.27Å; F152-D156 HydrophobicContact CB-CB 4.38Å; F152-D156 WeakPolarHBondContact CB-OD2 3.42Å; F152-I161 HydrophobicContact CD1-CG1 4.15Å; F152-I161 HydrophobicContact CE1-CB 4.4Å; F152-I161 HydrophobicContact CE1-CG1 4Å; F152-I161 HydrophobicContact CE2-CG2 4.47Å; F152-I161 HydrophobicContact CZ-CB 4.41Å; F152-I161 HydrophobicContact CZ-CG1 4.23Å; F152-I161 HydrophobicContact CZ-CG2 4.08Å; F152-E164 HydrophobicContact CE1-CB 4.38Å; F152-E164 HydrophobicContact CZ-CB 4.5Å; F152-E164 HydrophobicContact CZ-CG 4.5Å; F152-I198 HydrophobicContact CB-CD1 3.27Å; F152-I198 HydrophobicContact CD2-CD1 4.42Å; F152-I198 HydrophobicContact CG-CD1 3.92Å
153	S	84.6	Confident	84.1	Confident	19 Å²	19	61.3 Å²	61.3	13%	0.133	31%	0.306	C	S	.	.			trans	-71.2	148.3	168.3	-180	0	0	0	0	110.3	E130 A155 D156	E130-S153 WeakPolarHBondContact OE2-CA 3.35Å; E130-S153 VanDerWaalsContact OE2-CB 3.28Å; E130-S153 WeakPolarHBondContact OE2-CB 3.04Å; E130-S153 PolarHBondContact OE2-OG 2.92Å; S153-A155 PolarHBondContact O-N 3.15Å; S153-A155 VanDerWaalsContact O-N 3.09Å; S153-A155 PolarHBondContact OG-N 3.46Å; S153-D156 PolarHBondContact N-OD2 2.74Å; S153-D156 WeakPolarHBondContact O-CB 3.43Å; S153-D156 PolarHBondContact O-N 3.42Å
154	K	81	Confident	84.7	Confident	74 Å²	74	59.5 Å²	59.5	32%	0.322	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-18.4	170.2	-72.2	171.5	-173.1	180	0	113.4	E130 T134 T197 I198 Q199	E130-K154 VanDerWaalsContact OE1-CB 3.29Å; E130-K154 WeakPolarHBondContact OE1-CB 3.15Å; E130-K154 VanDerWaalsContact OE1-CG 3.26Å; E130-K154 WeakPolarHBondContact OE1-CG 3.4Å; E130-K154 PolarHBondContact OE1-N 3.48Å; T134-K154 WeakPolarHBondContact OG1-CE 3.09Å; T134-K154 VanDerWaalsContact OG1-CG 3.28Å; T134-K154 WeakPolarHBondContact OG1-CG 3.37Å; K154-T197 WeakPolarHBondContact O-CB 3.34Å; K154-I198 HydrophobicContact CG-CG2 4.49Å; K154-Q199 HydrophobicContact CB-CB 4.24Å; K154-Q199 PolarHBondContact O-N 2.97Å; K154-Q199 VanDerWaalsContact O-N 3.08Å
155	A	81.5	Confident	85.4	Confident	47 Å²	47	57.6 Å²	57.6	39%	0.388	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-7.3	174.4	0	0	0	0	0	114.3	V118 S153	V118-A155 HydrophobicContact CG1-CB 4.46Å; S153-A155 PolarHBondContact O-N 3.15Å; S153-A155 VanDerWaalsContact O-N 3.09Å; S153-A155 PolarHBondContact OG-N 3.46Å
156	D	87.4	Confident	86.2	Confident	37 Å²	37	51.8 Å²	51.8	20%	0.198	25%	0.252	C	S	.	.			trans	-68.9	146.4	173.4	-65.5	-19.9	0	0	0	109.8	F152 S153 M160 T197 I198	F152-D156 WeakPolarHBondContact CA-OD2 3.27Å; F152-D156 HydrophobicContact CB-CB 4.38Å; F152-D156 WeakPolarHBondContact CB-OD2 3.42Å; S153-D156 PolarHBondContact N-OD2 2.74Å; S153-D156 WeakPolarHBondContact O-CB 3.43Å; S153-D156 PolarHBondContact O-N 3.42Å; D156-M160 HydrophobicContact CB-CE 3.86Å; D156-M160 HydrophobicContact CB-SD 4.24Å; D156-M160 WeakPolarHBondContact OD1-CE 3.49Å; D156-T197 CarbonylContact O-C 3.53Å; D156-T197 VanDerWaalsContact O-CA 3.26Å; D156-T197 WeakPolarHBondContact O-CA 3.41Å; D156-I198 HydrophobicContact CB-CD1 4.33Å; D156-I198 PolarHBondContact O-N 3.08Å
157	T	88.6	Confident	86.6	Confident	30 Å²	30	55 Å²	55	18%	0.184	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-94.2	160.2	-176.4	65.9	0	0	0	0	113.3	D159 M160 I161 P194 S196	T157-D159 PolarHBondContact O-N 2.7Å; T157-M160 WeakPolarHBondContact O-CB 3.43Å; T157-M160 PolarHBondContact O-N 2.89Å; T157-M160 WeakPolarHBondContact OG1-CG 3.28Å; T157-M160 PolarHBondContact OG1-N 2.74Å; T157-I161 PolarHBondContact O-N 3.46Å; T157-I161 VanDerWaalsContact O-N 3.13Å; T157-P194 WeakPolarHBondContact CB-O 3.34Å; T157-S196 CarbonylContact C-O 2.96Å; T157-S196 VanDerWaalsContact CA-O 3.22Å; T157-S196 WeakPolarHBondContact CA-O 3.29Å
158	I	88.9	Confident	86.8	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.015	26%	0.256	C	S	.	.	H	α-helix	trans	-56.4	-36.4	173.8	-60.6	-46.2	0	0	0	111.6	M160 I161 E162 L179 L191 P194 S196 A201 L203	I158-M160 PolarHBondContact O-N 3.32Å; I158-I161 HydrophobicContact CD1-CD1 3.82Å; I158-I161 PolarHBondContact O-N 3.08Å; I158-E162 PolarHBondContact O-N 3.48Å; I158-L179 HydrophobicContact CG2-CD1 3.56Å; I158-L191 HydrophobicContact CD1-CD1 4.2Å; I158-L191 HydrophobicContact CG2-CB 3.92Å; I158-P194 PolarHBondContact N-O 3.13Å; I158-S196 WeakPolarHBondContact CG1-O 3.35Å; I158-S196 PolarHBondContact N-O 2.85Å; I158-A201 HydrophobicContact CD1-CB 3.92Å; I158-A201 HydrophobicContact CG1-CB 4.32Å; I158-L203 HydrophobicContact CD1-CD1 3.77Å
159	D	88.3	Confident	86.9	Confident	50 Å²	50	52.7 Å²	52.7	27%	0.267	25%	0.251	S	S	.	.	H	α-helix	trans	-59.3	-39.5	171.5	166.4	89.8	0	0	0	113.5	T157 E162 K163 P194	T157-D159 PolarHBondContact O-N 2.7Å; D159-E162 PolarHBondContact O-N 3.32Å; D159-K163 WeakPolarHBondContact O-CG 3.44Å; D159-K163 PolarHBondContact O-N 3.22Å; D159-K163 WeakPolarHBondContact OD1-CE 3.42Å; D159-K163 IonicContact OD1-NZ 3.13Å; D159-K163 PolarHBondContact OD1-NZ 3.17Å; D159-K163 WeakPolarHBondContact OD2-CE 3.24Å; D159-K163 IonicContact OD2-NZ 3.83Å; D159-K163 PolarHBondContact OD2-NZ 3.29Å; D159-P194 HydrophobicContact CB-CB 3.94Å; D159-P194 WeakPolarHBondContact CB-O 3.29Å; D159-P194 PolarHBondContact N-O 2.87Å
160	M	88.6	Confident	86.9	Confident	85 Å²	85	54.6 Å²	54.6	42%	0.419	27%	0.267	S	S	.	.	H	α-helix	trans	-67.9	-37.5	176.1	-67.2	167.5	59.7	0	0	111.6	D156 T157 I158 E164	D156-M160 HydrophobicContact CB-CE 3.86Å; D156-M160 HydrophobicContact CB-SD 4.24Å; D156-M160 WeakPolarHBondContact OD1-CE 3.49Å; T157-M160 WeakPolarHBondContact O-CB 3.43Å; T157-M160 PolarHBondContact O-N 2.89Å; T157-M160 WeakPolarHBondContact OG1-CG 3.28Å; T157-M160 PolarHBondContact OG1-N 2.74Å; I158-M160 PolarHBondContact O-N 3.32Å; M160-E164 PolarHBondContact O-N 2.59Å; M160-E164 VanDerWaalsContact O-N 3.15Å
161	I	89.3	Confident	87	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.7	-44.1	173.2	-54.6	169.6	0	0	0	110.4	L136 L138 F152 T157 I158 K163 E164 M165 I198 L203 L209	L136-I161 HydrophobicContact CD1-CD1 4.09Å; L138-I161 HydrophobicContact CD2-CG2 4.28Å; F152-I161 HydrophobicContact CD1-CG1 4.15Å; F152-I161 HydrophobicContact CE1-CB 4.4Å; F152-I161 HydrophobicContact CE1-CG1 4Å; F152-I161 HydrophobicContact CE2-CG2 4.47Å; F152-I161 HydrophobicContact CZ-CB 4.41Å; F152-I161 HydrophobicContact CZ-CG1 4.23Å; F152-I161 HydrophobicContact CZ-CG2 4.08Å; T157-I161 PolarHBondContact O-N 3.46Å; T157-I161 VanDerWaalsContact O-N 3.13Å; I158-I161 HydrophobicContact CD1-CD1 3.82Å; I158-I161 PolarHBondContact O-N 3.08Å; I161-K163 VanDerWaalsContact C-N 3.32Å; I161-K163 PolarHBondContact O-N 2.67Å; I161-E164 PolarHBondContact O-N 2.86Å; I161-M165 HydrophobicContact CG2-CG 4.32Å; I161-M165 HydrophobicContact CG2-SD 4.04Å; I161-M165 WeakPolarHBondContact O-CB 3.42Å; I161-M165 WeakPolarHBondContact O-CG 3.11Å; I161-M165 PolarHBondContact O-N 2.84Å; I161-I198 HydrophobicContact CD1-CD1 3.77Å; I161-I198 HydrophobicContact CD1-CG1 3.64Å; I161-I198 HydrophobicContact CG1-CD1 4.27Å; I161-L203 HydrophobicContact CD1-CD1 4.26Å; I161-L209 HydrophobicContact CD1-CD1 4.11Å; I161-L209 HydrophobicContact CG2-CD1 3.81Å
162	E	89.4	Confident	87	Confident	43 Å²	43	46.5 Å²	46.5	20%	0.201	25%	0.245	C	C	.	.	H	α-helix	trans	-59.2	-44.6	178.8	-161.4	-171.5	125.8	0	0	111.1	I158 D159 M165 R166 T177 L179 I211	I158-E162 PolarHBondContact O-N 3.48Å; D159-E162 PolarHBondContact O-N 3.32Å; E162-M165 PolarHBondContact O-N 2.9Å; E162-R166 WeakPolarHBondContact O-CB 3.4Å; E162-R166 WeakPolarHBondContact O-CG 3.47Å; E162-R166 PolarHBondContact O-N 2.85Å; E162-R166 IonicContact OE1-CZ 3.82Å; E162-R166 VanDerWaalsContact OE1-CZ 3.24Å; E162-R166 IonicContact OE1-NE 3.79Å; E162-R166 PolarHBondContact OE1-NE 3.08Å; E162-R166 IonicContact OE1-NH2 2.85Å; E162-R166 PolarHBondContact OE1-NH2 3.32Å; E162-T177 PolarHBondContact OE1-OG1 3.13Å; E162-L179 HydrophobicContact CB-CD1 3.67Å; E162-L179 HydrophobicContact CB-CG 4.32Å; E162-L179 HydrophobicContact CG-CD1 4.07Å; E162-L179 HydrophobicContact CG-CG 4.18Å; E162-I211 HydrophobicContact CG-CD1 4.1Å
163	K	89.3	Confident	86.6	Confident	116 Å²	116	52.3 Å²	52.3	50%	0.504	28%	0.276	S	S	.	.	H	α-helix	trans	-64.8	-40.8	179.2	-74.2	164.7	-176.8	163.3	0	112.7	D159 I161 K167	D159-K163 WeakPolarHBondContact O-CG 3.44Å; D159-K163 PolarHBondContact O-N 3.22Å; D159-K163 WeakPolarHBondContact OD1-CE 3.42Å; D159-K163 IonicContact OD1-NZ 3.13Å; D159-K163 PolarHBondContact OD1-NZ 3.17Å; D159-K163 WeakPolarHBondContact OD2-CE 3.24Å; D159-K163 IonicContact OD2-NZ 3.83Å; D159-K163 PolarHBondContact OD2-NZ 3.29Å; I161-K163 VanDerWaalsContact C-N 3.32Å; I161-K163 PolarHBondContact O-N 2.67Å; K163-K167 WeakPolarHBondContact O-CB 3.32Å; K163-K167 PolarHBondContact O-N 2.57Å; K163-K167 VanDerWaalsContact O-N 3.11Å
164	E	89.1	Confident	86.4	Confident	36 Å²	36	59.4 Å²	59.4	17%	0.168	31%	0.307	C	S	.	.	H	α-helix	trans	-69.8	-37	174.2	-172.9	70.3	169.6	0	0	111.3	R150 F152 M160 I161 K167 L168	R150-E164 IonicContact CZ-OE1 2.64Å; R150-E164 IonicContact NH1-OE1 2.82Å; R150-E164 PolarHBondContact NH1-OE1 2.9Å; F152-E164 HydrophobicContact CE1-CB 4.38Å; F152-E164 HydrophobicContact CZ-CB 4.5Å; F152-E164 HydrophobicContact CZ-CG 4.5Å; M160-E164 PolarHBondContact O-N 2.59Å; M160-E164 VanDerWaalsContact O-N 3.15Å; I161-E164 PolarHBondContact O-N 2.86Å; E164-K167 PolarHBondContact O-N 2.74Å; E164-K167 IonicContact OE1-NZ 3.73Å; E164-K167 IonicContact OE2-NZ 3.88Å; E164-K167 PolarHBondContact OE2-NZ 3.29Å; E164-L168 HydrophobicContact CG-CD1 4.01Å; E164-L168 HydrophobicContact CG-CG 4.43Å; E164-L168 WeakPolarHBondContact O-CB 3.31Å; E164-L168 WeakPolarHBondContact O-CG 3.26Å; E164-L168 PolarHBondContact O-N 3.27Å
165	M	88.9	Confident	86.3	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.3	-46.4	173	-74.4	-176.8	82	0	0	112.4	L138 C139 I161 E162 K167 L168 F169 L179 L209 I211	L138-M165 HydrophobicContact CB-CE 3.95Å; L138-M165 HydrophobicContact CB-CG 4.13Å; L138-M165 HydrophobicContact CB-SD 4.3Å; L138-M165 HydrophobicContact CD1-CG 3.75Å; L138-M165 HydrophobicContact CD2-CE 4.45Å; L138-M165 HydrophobicContact CD2-CG 4.19Å; L138-M165 HydrophobicContact CD2-SD 3.9Å; L138-M165 HydrophobicContact CG-CG 4.24Å; L138-M165 HydrophobicContact CG-SD 4.46Å; C139-M165 WeakPolarHBondContact O-CE 3.47Å; I161-M165 HydrophobicContact CG2-CG 4.32Å; I161-M165 HydrophobicContact CG2-SD 4.04Å; I161-M165 WeakPolarHBondContact O-CB 3.42Å; I161-M165 WeakPolarHBondContact O-CG 3.11Å; I161-M165 PolarHBondContact O-N 2.84Å; E162-M165 PolarHBondContact O-N 2.9Å; M165-K167 VanDerWaalsContact C-N 3.27Å; M165-K167 PolarHBondContact O-N 3.25Å; M165-L168 PolarHBondContact O-N 2.57Å; M165-L168 VanDerWaalsContact O-N 3.15Å; M165-F169 HydrophobicContact CB-CD2 4.24Å; M165-F169 HydrophobicContact CB-CE2 4.31Å; M165-F169 HydrophobicContact CE-CE2 3.93Å; M165-F169 HydrophobicContact CG-CE2 4.31Å; M165-F169 WeakPolarHBondContact O-CD2 3.47Å; M165-F169 PolarHBondContact O-N 3.22Å; M165-L179 HydrophobicContact CE-CD2 4.19Å; M165-L179 HydrophobicContact SD-CD2 3.38Å; M165-L179 WeakPolarHBondContact SD-CD2 3.33Å; M165-L209 HydrophobicContact CE-CB 4.49Å; M165-L209 WeakPolarHBondContact CE-O 3.09Å; M165-L209 HydrophobicContact SD-CB 4.3Å; M165-I211 HydrophobicContact CB-CD1 3.95Å; M165-I211 HydrophobicContact CB-CG2 4.5Å; M165-I211 HydrophobicContact CE-CB 3.67Å; M165-I211 HydrophobicContact CE-CG2 3.78Å; M165-I211 HydrophobicContact SD-CB 4.42Å
166	R	88.6	Confident	86.4	Confident	28 Å²	28	62.7 Å²	62.7	11%	0.106	32%	0.315	C	S	.	.	H	α-helix	trans	-54.1	-45.8	174.2	-76.1	173.9	176.8	-91.8	2.5	111.3	E162 S170 I171 P172 K175 T177 I211	E162-R166 WeakPolarHBondContact O-CB 3.4Å; E162-R166 WeakPolarHBondContact O-CG 3.47Å; E162-R166 PolarHBondContact O-N 2.85Å; E162-R166 IonicContact OE1-CZ 3.82Å; E162-R166 VanDerWaalsContact OE1-CZ 3.24Å; E162-R166 IonicContact OE1-NE 3.79Å; E162-R166 PolarHBondContact OE1-NE 3.08Å; E162-R166 IonicContact OE1-NH2 2.85Å; E162-R166 PolarHBondContact OE1-NH2 3.32Å; R166-S170 CarbonylContact O-C 3.59Å; R166-S170 WeakPolarHBondContact O-CA 3.49Å; R166-S170 PolarHBondContact O-N 3.35Å; R166-I171 HydrophobicContact CB-CB 4.31Å; R166-I171 HydrophobicContact CG-CB 4.25Å; R166-I171 PolarHBondContact O-N 2.88Å; R166-P172 PolarHBondContact NH1-O 2.95Å; R166-K175 PolarHBondContact NH1-O 3.08Å; R166-K175 PolarHBondContact NH2-O 3.38Å; R166-T177 PolarHBondContact NH2-OG1 3.48Å; R166-I211 HydrophobicContact CG-CD1 4.24Å
167	K	88.2	Confident	86.3	Confident	147 Å²	147	61.8 Å²	61.8	64%	0.639	31%	0.311	S	S	*	.	H	α-helix	trans	-66.9	-37.3	177.4	175.5	178.1	152.1	-141.4	0	113.4	K163 E164 M165	K163-K167 WeakPolarHBondContact O-CB 3.32Å; K163-K167 PolarHBondContact O-N 2.57Å; K163-K167 VanDerWaalsContact O-N 3.11Å; E164-K167 PolarHBondContact O-N 2.74Å; E164-K167 IonicContact OE1-NZ 3.73Å; E164-K167 IonicContact OE2-NZ 3.88Å; E164-K167 PolarHBondContact OE2-NZ 3.29Å; M165-K167 VanDerWaalsContact C-N 3.27Å; M165-K167 PolarHBondContact O-N 3.25Å
168	L	86.1	Confident	86.3	Confident	43 Å²	43	63 Å²	63	23%	0.225	31%	0.312	C	S	.	.	H	α-helix	trans	-71.6	-40.9	177.9	-74.4	168.1	0	0	0	112.6	L138 I148 R150 E164 M165	L138-L168 HydrophobicContact CD1-CD1 3.87Å; I148-L168 HydrophobicContact CD1-CB 4.4Å; I148-L168 HydrophobicContact CG2-CD1 4.26Å; I148-L168 HydrophobicContact CG2-CD2 4.4Å; R150-L168 HydrophobicContact CG-CD1 3.86Å; E164-L168 HydrophobicContact CG-CD1 4.01Å; E164-L168 HydrophobicContact CG-CG 4.43Å; E164-L168 WeakPolarHBondContact O-CB 3.31Å; E164-L168 WeakPolarHBondContact O-CG 3.26Å; E164-L168 PolarHBondContact O-N 3.27Å; M165-L168 PolarHBondContact O-N 2.57Å; M165-L168 VanDerWaalsContact O-N 3.15Å
169	F	87.9	Confident	86.3	Confident	27 Å²	27	63.1 Å²	63.1	12%	0.118	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	10	-179.2	-57	-64.8	0	0	0	113.4	L138 E140 I148 M165 I171 I211	L138-F169 HydrophobicContact CB-CE2 4.28Å; L138-F169 HydrophobicContact CB-CZ 4.34Å; E140-F169 HydrophobicContact CB-CD1 4.26Å; E140-F169 HydrophobicContact CB-CG 4.38Å; I148-F169 HydrophobicContact CD1-CD1 4.41Å; I148-F169 HydrophobicContact CD1-CE1 3.64Å; I148-F169 HydrophobicContact CD1-CZ 3.97Å; I148-F169 HydrophobicContact CG1-CE1 4.21Å; I148-F169 HydrophobicContact CG1-CZ 4.31Å; M165-F169 HydrophobicContact CB-CD2 4.24Å; M165-F169 HydrophobicContact CB-CE2 4.31Å; M165-F169 HydrophobicContact CE-CE2 3.93Å; M165-F169 HydrophobicContact CG-CE2 4.31Å; M165-F169 WeakPolarHBondContact O-CD2 3.47Å; M165-F169 PolarHBondContact O-N 3.22Å; F169-I171 VanDerWaalsContact C-N 3.29Å; F169-I171 HydrophobicContact CB-CD1 4.04Å; F169-I171 HydrophobicContact CB-CG1 3.92Å; F169-I171 PolarHBondContact O-N 2.94Å; F169-I211 HydrophobicContact CD2-CG2 3.79Å; F169-I211 HydrophobicContact CE2-CG2 4.27Å
170	S	85.4	Confident	86.1	Confident	106 Å²	106	62.4 Å²	62.4	74%	0.741	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	38.1	179.5	-57.3	0	0	0	0	114.7	R166	R166-S170 CarbonylContact O-C 3.59Å; R166-S170 WeakPolarHBondContact O-CA 3.49Å; R166-S170 PolarHBondContact O-N 3.35Å
171	I	85.5	Confident	85.9	Confident	9 Å²	9	58.4 Å²	58.4	5%	0.046	29%	0.286	C	S	.	.			trans	-83.6	124.3	-178.6	-50.8	177.6	0	0	0	109.6	R166 F169 K175 T177 I211 Q213	R166-I171 HydrophobicContact CB-CB 4.31Å; R166-I171 HydrophobicContact CG-CB 4.25Å; R166-I171 PolarHBondContact O-N 2.88Å; F169-I171 VanDerWaalsContact C-N 3.29Å; F169-I171 HydrophobicContact CB-CD1 4.04Å; F169-I171 HydrophobicContact CB-CG1 3.92Å; F169-I171 PolarHBondContact O-N 2.94Å; I171-K175 HydrophobicContact CG2-CB 4.24Å; I171-K175 HydrophobicContact CG2-CD 4.37Å; I171-T177 HydrophobicContact CD1-CG2 4.45Å; I171-T177 HydrophobicContact CG2-CG2 3.92Å; I171-I211 HydrophobicContact CD1-CD1 3.92Å; I171-I211 HydrophobicContact CD1-CG1 4.11Å; I171-I211 HydrophobicContact CD1-CG2 3.82Å; I171-Q213 HydrophobicContact CD1-CG 4.04Å; I171-Q213 HydrophobicContact CG1-CG 4.48Å; I171-Q213 HydrophobicContact CG2-CG 4.2Å
172	P	84.4	Confident	85.4	Confident	61 Å²	61	61.1 Å²	61.1	40%	0.396	30%	0.297	S	S	.	.			trans	-62.9	147.4	178	-21.9	32.9	0	0	0	113.6	R166 E174 K175	R166-P172 PolarHBondContact NH1-O 2.95Å; P172-E174 WeakPolarHBondContact CB-OE2 3.4Å; P172-E174 PolarHBondContact O-N 2.97Å; P172-K175 PolarHBondContact O-N 2.95Å; P172-K175 VanDerWaalsContact O-N 3.15Å
173	D	78.4	Confident	84.3	Confident	137 Å²	137	61 Å²	61	73%	0.733	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-25.1	179.1	-72.1	-31	0	0	0	112.6	K175	D173-K175 PolarHBondContact O-N 3.02Å
174	E	78.8	Confident	82.4	Confident	168 Å²	168	63.5 Å²	63.5	79%	0.785	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-10.6	177.4	-52.7	88.1	164.5	0	0	113.6	P172	P172-E174 WeakPolarHBondContact CB-OE2 3.4Å; P172-E174 PolarHBondContact O-N 2.97Å
175	K	80.1	Confident	80.5	Confident	80 Å²	80	65.8 Å²	65.8	35%	0.348	33%	0.33	S	S	.	.	S	Bend	trans	-86.8	129.7	177.2	-72.6	-162.2	177.3	-165.5	0	112.3	R166 I171 P172 D173 T177	R166-K175 PolarHBondContact NH1-O 3.08Å; R166-K175 PolarHBondContact NH2-O 3.38Å; I171-K175 HydrophobicContact CG2-CB 4.24Å; I171-K175 HydrophobicContact CG2-CD 4.37Å; P172-K175 PolarHBondContact O-N 2.95Å; P172-K175 VanDerWaalsContact O-N 3.15Å; D173-K175 PolarHBondContact O-N 3.02Å; K175-T177 PolarHBondContact O-N 3.48Å
176	E	82.3	Confident	78.8	Confident	110 Å²	110	72 Å²	72	51%	0.514	36%	0.363	S	S	.	.			trans	-62.7	129.4	160.4	-75.2	176.3	-119.5	0	0	109.8	K214 W220	E176-K214 HydrophobicContact CB-CB 4.02Å; E176-K214 HydrophobicContact CB-CD 3.75Å; E176-K214 HydrophobicContact CG-CD 4.23Å; E176-K214 WeakPolarHBondContact O-CB 3.4Å; E176-K214 PolarHBondContact O-N 3.06Å; E176-K214 IonicContact OE1-NZ 3.22Å; E176-K214 PolarHBondContact OE1-NZ 2.98Å; E176-K214 WeakPolarHBondContact OE2-CD 3.32Å; E176-K214 IonicContact OE2-NZ 2.64Å; E176-K214 PolarHBondContact OE2-NZ 3.13Å; E176-W220 HydrophobicContact CB-CH2 3.9Å; E176-W220 HydrophobicContact CB-CZ2 4.12Å
177	T	87.3	Confident	77.6	Confident	18 Å²	18	73.7 Å²	73.7	11%	0.11	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	169.7	173.1	55.8	0	0	0	0	110.5	E162 R166 I171 K175 I211 E212 Q213	E162-T177 PolarHBondContact OE1-OG1 3.13Å; R166-T177 PolarHBondContact NH2-OG1 3.48Å; I171-T177 HydrophobicContact CD1-CG2 4.45Å; I171-T177 HydrophobicContact CG2-CG2 3.92Å; K175-T177 PolarHBondContact O-N 3.48Å; T177-I211 HydrophobicContact CG2-CD1 4.18Å; T177-I211 HydrophobicContact CG2-CG1 4.16Å; T177-E212 CarbonylContact C-O 3.54Å; T177-E212 WeakPolarHBondContact CA-O 3.47Å; T177-E212 WeakPolarHBondContact CB-O 3.34Å; T177-Q213 HydrophobicContact CG2-CG 4.42Å
178	R	87.6	Confident	77	Confident	55 Å²	55	69 Å²	69	21%	0.208	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	143.6	168.2	-73.9	167.8	174.6	177.5	-4.8	110.2	I211 E212 W220	R178-I211 WeakPolarHBondContact O-CA 3.32Å; R178-E212 HydrophobicContact CB-CB 4.36Å; R178-E212 WeakPolarHBondContact CD-OE2 3.4Å; R178-E212 PolarHBondContact N-O 3.37Å; R178-E212 IonicContact NH1-OE2 2.73Å; R178-E212 PolarHBondContact O-N 3.41Å; R178-W220 HydrophobicContact CB-CZ3 4.2Å; R178-W220 HydrophobicContact CG-CE3 4.21Å; R178-W220 HydrophobicContact CG-CH2 3.73Å; R178-W220 HydrophobicContact CG-CZ2 4.33Å; R178-W220 HydrophobicContact CG-CZ3 3.67Å; R178-W220 VanDerWaalsContact NH1-CG 3.32Å
179	L	88.6	Confident	76.6	Confident	7 Å²	7	71.3 Å²	71.3	4%	0.037	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.6	168.8	-76.2	176.4	0	0	0	110.8	I158 E162 M165 L191 I211	I158-L179 HydrophobicContact CG2-CD1 3.56Å; E162-L179 HydrophobicContact CB-CD1 3.67Å; E162-L179 HydrophobicContact CB-CG 4.32Å; E162-L179 HydrophobicContact CG-CD1 4.07Å; E162-L179 HydrophobicContact CG-CG 4.18Å; M165-L179 HydrophobicContact CE-CD2 4.19Å; M165-L179 HydrophobicContact SD-CD2 3.38Å; M165-L179 WeakPolarHBondContact SD-CD2 3.33Å; L179-L191 HydrophobicContact CB-CB 4.06Å; L179-L191 HydrophobicContact CB-CD1 4.3Å; L179-L191 PolarHBondContact O-N 3.48Å; L179-I211 HydrophobicContact CD2-CB 4.12Å; L179-I211 HydrophobicContact CD2-CD1 4.3Å; L179-I211 HydrophobicContact CD2-CG1 4.29Å
180	W	84.4	Confident	76.3	Confident	35 Å²	35	72.5 Å²	72.5	13%	0.133	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	130	176.2	-60.1	92.3	0	0	0	110.3	F188 E189 P190 L209 V210 E212	W180-F188 HydrophobicContact CB-CD1 4.2Å; W180-F188 HydrophobicContact CE3-CB 3.98Å; W180-E189 CarbonylContact C-O 3.58Å; W180-E189 WeakPolarHBondContact CA-O 3.44Å; W180-P190 HydrophobicContact CD2-CB 4.46Å; W180-P190 HydrophobicContact CE3-CB 3.81Å; W180-P190 HydrophobicContact CE3-CG 4.46Å; W180-P190 HydrophobicContact CH2-CB 4.18Å; W180-P190 HydrophobicContact CZ3-CB 3.66Å; W180-P190 HydrophobicContact CZ3-CG 4Å; W180-L209 WeakPolarHBondContact O-CA 3.46Å; W180-V210 HydrophobicContact CB-CB 4.35Å; W180-V210 PolarHBondContact N-O 3.04Å; W180-V210 PolarHBondContact O-N 3.27Å; W180-E212 PolarHBondContact NE1-OE2 3.35Å
181	N	84.1	Confident	76.2	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	119.2	168.9	179.6	6.4	0	0	0	109.3	Y183 F188 E189 L191 L203 Q207 L209	N181-Y183 HydrophobicContact CB-CE2 4.47Å; N181-Y183 WeakPolarHBondContact ND2-CE2 3.36Å; N181-Y183 PolarHBondContact ND2-OH 3.18Å; N181-F188 CarbonylContact O-C 3.57Å; N181-F188 WeakPolarHBondContact O-CA 3.36Å; N181-E189 HydrophobicContact CB-CB 4.36Å; N181-E189 PolarHBondContact N-O 2.95Å; N181-E189 PolarHBondContact O-N 2.92Å; N181-L191 HydrophobicContact CB-CD1 4.18Å; N181-L191 HydrophobicContact CB-CD2 4.15Å; N181-L191 HydrophobicContact CB-CG 4.08Å; N181-L203 HydrophobicContact CB-CD2 4.44Å; N181-L203 WeakPolarHBondContact ND2-CD2 3.42Å; N181-Q207 VanDerWaalsContact CG-NE2 3.34Å; N181-Q207 PolarHBondContact ND2-NE2 3.17Å; N181-Q207 VanDerWaalsContact OD1-CD 3.29Å; N181-Q207 WeakPolarHBondContact OD1-CG 3.37Å; N181-Q207 PolarHBondContact OD1-NE2 3.09Å; N181-L209 HydrophobicContact CB-CD2 3.99Å
182	R	79.5	Confident	75.8	Confident	58 Å²	58	74 Å²	74	22%	0.219	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	112.4	-178	-176.5	-170.6	-178	-161.9	3	110.7	S185 T187 F188 V208 V210	R182-S185 PolarHBondContact NE-O 3.08Å; R182-S185 PolarHBondContact NH2-O 2.98Å; R182-T187 WeakPolarHBondContact CA-O 3.42Å; R182-F188 HydrophobicContact CB-CD1 4.11Å; R182-F188 HydrophobicContact CB-CE1 4.01Å; R182-F188 HydrophobicContact CG-CD1 4.23Å; R182-F188 HydrophobicContact CG-CE1 3.8Å; R182-F188 HydrophobicContact CG-CZ 3.95Å; R182-V208 HydrophobicContact CB-CB 4.21Å; R182-V208 HydrophobicContact CB-CG1 4.28Å; R182-V208 PolarHBondContact N-O 3.31Å; R182-V210 HydrophobicContact CB-CG2 4.07Å
183	Y	65.1	Low	75.6	Confident	39 Å²	39	78.5 Å²	78.5	15%	0.153	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	147.9	167.8	-52.7	-97.4	0	0	0	110.3	N181 T187 E189 Y204	N181-Y183 HydrophobicContact CB-CE2 4.47Å; N181-Y183 WeakPolarHBondContact ND2-CE2 3.36Å; N181-Y183 PolarHBondContact ND2-OH 3.18Å; Y183-T187 WeakPolarHBondContact CB-OG1 3.4Å; Y183-T187 PolarHBondContact N-O 3.25Å; Y183-T187 PolarHBondContact O-N 2.8Å; Y183-T187 VanDerWaalsContact O-O 3.12Å; Y183-T187 PolarHBondContact O-OG1 3.02Å; Y183-E189 HydrophobicContact CE2-CB 4.06Å; Y183-E189 WeakPolarHBondContact CE2-OE2 3.44Å; Y183-E189 PolarHBondContact OH-OE2 3.14Å; Y183-Y204 HydrophobicContact CD1-CE1 4.41Å; Y183-Y204 HydrophobicContact CE1-CE1 4.14Å
184	M	50.4	Low	75.7	Confident	169 Å²	169	74.8 Å²	74.8	83%	0.833	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	19.2	95.2	170.9	-73.7	-61.8	168.6	0	0	116.3	N186	M184-N186 PolarHBondContact O-N 3.36Å
185	S	47.9	Very low	75.9	Confident	84 Å²	84	73.6 Å²	73.6	59%	0.587	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	-51	177.6	66.7	0	0	0	0	118	R182	R182-S185 PolarHBondContact NE-O 3.08Å; R182-S185 PolarHBondContact NH2-O 2.98Å
186	N	53.7	Low	76	Confident	131 Å²	131	70.7 Å²	70.7	70%	0.701	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.2	-0.8	-168.8	-85	-35.3	0	0	0	117.1	M184 F188	M184-N186 PolarHBondContact O-N 3.36Å; N186-F188 VanDerWaalsContact O-CD2 3.27Å; N186-F188 WeakPolarHBondContact O-CD2 3.31Å; N186-F188 WeakPolarHBondContact O-CE2 3.43Å
187	T	63.1	Low	76.1	Confident	64 Å²	64	66.8 Å²	66.8	39%	0.393	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.1	179.3	45.2	0	0	0	0	113.1	R182 Y183	R182-T187 WeakPolarHBondContact CA-O 3.42Å; Y183-T187 WeakPolarHBondContact CB-OG1 3.4Å; Y183-T187 PolarHBondContact N-O 3.25Å; Y183-T187 PolarHBondContact O-N 2.8Å; Y183-T187 VanDerWaalsContact O-O 3.12Å; Y183-T187 PolarHBondContact O-OG1 3.02Å
188	F	76.2	Confident	75.8	Confident	48 Å²	48	65.9 Å²	65.9	21%	0.211	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130	-175.8	-63	-99.9	0	0	0	110.9	M144 W180 N181 R182 N186 V210 R222	M144-F188 HydrophobicContact CE-CE1 3.79Å; M144-F188 HydrophobicContact CE-CZ 3.93Å; M144-F188 HydrophobicContact SD-CZ 4.48Å; W180-F188 HydrophobicContact CB-CD1 4.2Å; W180-F188 HydrophobicContact CE3-CB 3.98Å; N181-F188 CarbonylContact O-C 3.57Å; N181-F188 WeakPolarHBondContact O-CA 3.36Å; R182-F188 HydrophobicContact CB-CD1 4.11Å; R182-F188 HydrophobicContact CB-CE1 4.01Å; R182-F188 HydrophobicContact CG-CD1 4.23Å; R182-F188 HydrophobicContact CG-CE1 3.8Å; R182-F188 HydrophobicContact CG-CZ 3.95Å; N186-F188 VanDerWaalsContact O-CD2 3.27Å; N186-F188 WeakPolarHBondContact O-CD2 3.31Å; N186-F188 WeakPolarHBondContact O-CE2 3.43Å; F188-V210 HydrophobicContact CE1-CG2 4.13Å; F188-R222 VanDerWaalsContact CE1-CZ 3.48Å
189	E	77.7	Confident	75.3	Confident	92 Å²	92	65.3 Å²	65.3	43%	0.43	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.5	177.6	179.2	174.8	-142.1	0	0	110.4	W180 N181 Y183	W180-E189 CarbonylContact C-O 3.58Å; W180-E189 WeakPolarHBondContact CA-O 3.44Å; N181-E189 HydrophobicContact CB-CB 4.36Å; N181-E189 PolarHBondContact N-O 2.95Å; N181-E189 PolarHBondContact O-N 2.92Å; Y183-E189 HydrophobicContact CE2-CB 4.06Å; Y183-E189 WeakPolarHBondContact CE2-OE2 3.44Å; Y183-E189 PolarHBondContact OH-OE2 3.14Å
190	P	82.1	Confident	74.6	Confident	52 Å²	52	68 Å²	68	34%	0.338	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	122.3	-175	31	-33.4	0	0	0	112.2	W180 N192	W180-P190 HydrophobicContact CD2-CB 4.46Å; W180-P190 HydrophobicContact CE3-CB 3.81Å; W180-P190 HydrophobicContact CE3-CG 4.46Å; W180-P190 HydrophobicContact CH2-CB 4.18Å; W180-P190 HydrophobicContact CZ3-CB 3.66Å; W180-P190 HydrophobicContact CZ3-CG 4Å; P190-N192 WeakPolarHBondContact CG-ND2 3.43Å; P190-N192 PolarHBondContact O-N 2.89Å
191	L	83.1	Confident	74.3	Confident	24 Å²	24	67.4 Å²	67.4	13%	0.126	36%	0.357	C	S	.	.			trans	-80.3	59.9	-179.7	-65.9	174.4	0	0	0	111.8	I158 L179 N181 K193 A201 L203 L209	I158-L191 HydrophobicContact CD1-CD1 4.2Å; I158-L191 HydrophobicContact CG2-CB 3.92Å; L179-L191 HydrophobicContact CB-CB 4.06Å; L179-L191 HydrophobicContact CB-CD1 4.3Å; L179-L191 PolarHBondContact O-N 3.48Å; N181-L191 HydrophobicContact CB-CD1 4.18Å; N181-L191 HydrophobicContact CB-CD2 4.15Å; N181-L191 HydrophobicContact CB-CG 4.08Å; L191-K193 PolarHBondContact O-N 3.25Å; L191-A201 HydrophobicContact CD2-CB 4.35Å; L191-L203 HydrophobicContact CD1-CD1 4.41Å; L191-L209 HydrophobicContact CD1-CD1 4.34Å; L191-L209 HydrophobicContact CD1-CD2 3.74Å
192	N	76.9	Confident	73.8	Confident	123 Å²	123	69.8 Å²	69.8	66%	0.658	38%	0.382	S	S	*	.			trans	-69.5	11.5	-171.6	-68.7	-40.4	0	0	0	116.1	P190	P190-N192 WeakPolarHBondContact CG-ND2 3.43Å; P190-N192 PolarHBondContact O-N 2.89Å
193	K	79.9	Confident	73.8	Confident	154 Å²	154	67.7 Å²	67.7	67%	0.67	38%	0.375	S	S	*	.			trans	-124.4	89.3	-176	-68.8	-178	-178.6	174.6	0	110.2	L191 D195 S196	L191-K193 PolarHBondContact O-N 3.25Å; K193-D195 VanDerWaalsContact C-N 3.28Å; K193-D195 PolarHBondContact O-N 2.8Å; K193-S196 WeakPolarHBondContact O-CB 3.35Å; K193-S196 PolarHBondContact O-N 3.15Å
194	P	81	Confident	74.3	Confident	60 Å²	60	69.7 Å²	69.7	39%	0.39	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-36.4	-175.7	21.4	-32.3	0	0	0	113.2	T157 I158 D159 S196	T157-P194 WeakPolarHBondContact CB-O 3.34Å; I158-P194 PolarHBondContact N-O 3.13Å; D159-P194 HydrophobicContact CB-CB 3.94Å; D159-P194 WeakPolarHBondContact CB-O 3.29Å; D159-P194 PolarHBondContact N-O 2.87Å; P194-S196 VanDerWaalsContact C-N 3.28Å; P194-S196 PolarHBondContact O-N 2.83Å
195	D	82.3	Confident	75.6	Confident	143 Å²	143	66.7 Å²	66.7	77%	0.765	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-6.5	179.1	-50.7	-69	0	0	0	114.3	K193	K193-D195 VanDerWaalsContact C-N 3.28Å; K193-D195 PolarHBondContact O-N 2.8Å
196	S	81.9	Confident	76.9	Confident	18 Å²	18	64.1 Å²	64.1	13%	0.126	35%	0.353	C	S	.	.			trans	-68.3	134.7	177.6	-170	0	0	0	0	109.7	T157 I158 K193 P194 D200 A201	T157-S196 CarbonylContact C-O 2.96Å; T157-S196 VanDerWaalsContact CA-O 3.22Å; T157-S196 WeakPolarHBondContact CA-O 3.29Å; I158-S196 WeakPolarHBondContact CG1-O 3.35Å; I158-S196 PolarHBondContact N-O 2.85Å; K193-S196 WeakPolarHBondContact O-CB 3.35Å; K193-S196 PolarHBondContact O-N 3.15Å; P194-S196 VanDerWaalsContact C-N 3.28Å; P194-S196 PolarHBondContact O-N 2.83Å; S196-D200 WeakPolarHBondContact OG-CB 3.44Å; S196-A201 PolarHBondContact OG-N 3.41Å
197	T	84.7	Confident	78.4	Confident	28 Å²	28	58.1 Å²	58.1	17%	0.172	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-73.3	163.1	170	69.8	0	0	0	0	111.2	K154 D156 Q199 D200 A201	K154-T197 WeakPolarHBondContact O-CB 3.34Å; D156-T197 CarbonylContact O-C 3.53Å; D156-T197 VanDerWaalsContact O-CA 3.26Å; D156-T197 WeakPolarHBondContact O-CA 3.41Å; T197-Q199 PolarHBondContact O-N 3.07Å; T197-Q199 PolarHBondContact OG1-N 2.78Å; T197-D200 WeakPolarHBondContact CB-OD2 3.42Å; T197-D200 WeakPolarHBondContact CG2-OD2 3.33Å; T197-D200 PolarHBondContact N-OD2 3.34Å; T197-D200 PolarHBondContact O-N 2.76Å; T197-D200 VanDerWaalsContact O-N 3.11Å; T197-D200 PolarHBondContact OG1-N 2.75Å; T197-D200 PolarHBondContact OG1-OD2 2.73Å; T197-A201 VanDerWaalsContact O-CB 3.31Å; T197-A201 WeakPolarHBondContact O-CB 3.39Å; T197-A201 PolarHBondContact O-N 2.84Å
198	I	81.6	Confident	79.5	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-40.7	169.2	-78.9	178.6	0	0	0	111.3	T134 L136 F152 K154 D156 I161 G202 L203	T134-I198 HydrophobicContact CG2-CG2 4.18Å; L136-I198 HydrophobicContact CD1-CD1 3.9Å; F152-I198 HydrophobicContact CB-CD1 3.27Å; F152-I198 HydrophobicContact CD2-CD1 4.42Å; F152-I198 HydrophobicContact CG-CD1 3.92Å; K154-I198 HydrophobicContact CG-CG2 4.49Å; D156-I198 HydrophobicContact CB-CD1 4.33Å; D156-I198 PolarHBondContact O-N 3.08Å; I161-I198 HydrophobicContact CD1-CD1 3.77Å; I161-I198 HydrophobicContact CD1-CG1 3.64Å; I161-I198 HydrophobicContact CG1-CD1 4.27Å; I198-G202 PolarHBondContact O-N 2.83Å; I198-L203 HydrophobicContact CG1-CD1 4.26Å; I198-L203 HydrophobicContact CG2-CB 4Å; I198-L203 PolarHBondContact O-N 2.54Å
199	Q	76.6	Confident	80.2	Confident	42 Å²	42	53.9 Å²	53.9	20%	0.196	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-46	174.2	171.9	157.2	3.7	0	0	112.7	K154 T197 A201 G202	K154-Q199 HydrophobicContact CB-CB 4.24Å; K154-Q199 PolarHBondContact O-N 2.97Å; K154-Q199 VanDerWaalsContact O-N 3.08Å; T197-Q199 PolarHBondContact O-N 3.07Å; T197-Q199 PolarHBondContact OG1-N 2.78Å; Q199-A201 PolarHBondContact O-N 3.34Å; Q199-G202 PolarHBondContact O-N 2.94Å; Q199-G202 VanDerWaalsContact O-N 3.08Å
200	D	75	Confident	80.7	Confident	63 Å²	63	49.5 Å²	49.5	34%	0.337	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-25.4	-178.6	-60.3	-50.9	0	0	0	112.5	S196 T197 G202	S196-D200 WeakPolarHBondContact OG-CB 3.44Å; T197-D200 WeakPolarHBondContact CB-OD2 3.42Å; T197-D200 WeakPolarHBondContact CG2-OD2 3.33Å; T197-D200 PolarHBondContact N-OD2 3.34Å; T197-D200 PolarHBondContact O-N 2.76Å; T197-D200 VanDerWaalsContact O-N 3.11Å; T197-D200 PolarHBondContact OG1-N 2.75Å; T197-D200 PolarHBondContact OG1-OD2 2.73Å; D200-G202 VanDerWaalsContact C-N 3.32Å
201	A	77.1	Confident	81	Confident	24 Å²	24	47 Å²	47	20%	0.198	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-0.7	173.4	0	0	0	0	0	113.8	I158 L191 S196 T197 Q199 L203	I158-A201 HydrophobicContact CD1-CB 3.92Å; I158-A201 HydrophobicContact CG1-CB 4.32Å; L191-A201 HydrophobicContact CD2-CB 4.35Å; S196-A201 PolarHBondContact OG-N 3.41Å; T197-A201 VanDerWaalsContact O-CB 3.31Å; T197-A201 WeakPolarHBondContact O-CB 3.39Å; T197-A201 PolarHBondContact O-N 2.84Å; Q199-A201 PolarHBondContact O-N 3.34Å; A201-L203 VanDerWaalsContact C-N 3.29Å; A201-L203 HydrophobicContact CB-CD1 4.3Å; A201-L203 HydrophobicContact CB-CG 4.08Å; A201-L203 PolarHBondContact O-N 3.14Å
202	G	73.6	Confident	81.3	Confident	50 Å²	50	45.9 Å²	45.9	52%	0.515	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	22.7	178.6	0	0	0	0	0	114.9	I198 Q199 D200	I198-G202 PolarHBondContact O-N 2.83Å; Q199-G202 PolarHBondContact O-N 2.94Å; Q199-G202 VanDerWaalsContact O-N 3.08Å; D200-G202 VanDerWaalsContact C-N 3.32Å
203	L	78.9	Confident	81.8	Confident	14 Å²	14	41.7 Å²	41.7	7%	0.073	23%	0.233	C	C	.	.			trans	-78.8	142.5	-176.2	-65.5	177.3	0	0	0	112.2	L136 I158 I161 N181 L191 I198 A201 Q207 L209	L136-L203 HydrophobicContact CD1-CD1 4.42Å; I158-L203 HydrophobicContact CD1-CD1 3.77Å; I161-L203 HydrophobicContact CD1-CD1 4.26Å; N181-L203 HydrophobicContact CB-CD2 4.44Å; N181-L203 WeakPolarHBondContact ND2-CD2 3.42Å; L191-L203 HydrophobicContact CD1-CD1 4.41Å; I198-L203 HydrophobicContact CG1-CD1 4.26Å; I198-L203 HydrophobicContact CG2-CB 4Å; I198-L203 PolarHBondContact O-N 2.54Å; A201-L203 VanDerWaalsContact C-N 3.29Å; A201-L203 HydrophobicContact CB-CD1 4.3Å; A201-L203 HydrophobicContact CB-CG 4.08Å; A201-L203 PolarHBondContact O-N 3.14Å; L203-Q207 VanDerWaalsContact CA-OE1 3.23Å; L203-Q207 HydrophobicContact CD2-CG 4.48Å; L203-L209 HydrophobicContact CD1-CD1 4.19Å; L203-L209 HydrophobicContact CD1-CD2 4.45Å; L203-L209 HydrophobicContact CD2-CD2 3.98Å
204	Y	75.5	Confident	82	Confident	81 Å²	81	37 Å²	37	32%	0.318	21%	0.212	S	C	.	.			trans	-133.6	169.5	-172.2	67.6	-97.4	0	0	0	114	L136 Y183 G206 Q207 Y379	L136-Y204 WeakPolarHBondContact CD2-O 3.46Å; Y183-Y204 HydrophobicContact CD1-CE1 4.41Å; Y183-Y204 HydrophobicContact CE1-CE1 4.14Å; Y204-G206 PolarHBondContact O-N 3.38Å; Y204-Q207 HydrophobicContact CD2-CB 4.36Å; Y204-Q207 VanDerWaalsContact CE1-CD 3.45Å; Y204-Q207 HydrophobicContact CE1-CG 4.27Å; Y204-Q207 VanDerWaalsContact CE1-NE2 3.34Å; Y204-Q207 HydrophobicContact CE2-CB 4.28Å; Y204-Q207 WeakPolarHBondContact O-CB 3.42Å; Y204-Q207 PolarHBondContact O-N 3.21Å; Y204-Y379 HydrophobicContact CD1-CE2 4.13Å; Y204-Y379 HydrophobicContact CE1-CE2 4.13Å; Y204-Y379 HydrophobicContact CG-CE2 4.49Å
205	Q	77.6	Confident	81.9	Confident	106 Å²	106	37.4 Å²	37.4	50%	0.495	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	127.8	-174.9	-165.5	74.7	-3	0	0	112.8	E135 Q207	E135-Q205 VanDerWaalsContact CB-NE2 3.32Å; Q205-Q207 VanDerWaalsContact C-N 3.3Å; Q205-Q207 PolarHBondContact O-N 2.93Å
206	G	76.6	Confident	81.5	Confident	30 Å²	30	40.2 Å²	40.2	31%	0.309	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	2.8	177	0	0	0	0	0	115.3	E135 Y204	E135-G206 PolarHBondContact O-N 2.81Å; Y204-G206 PolarHBondContact O-N 3.38Å
207	Q	84.5	Confident	80.9	Confident	4 Å²	4	45 Å²	45	2%	0.019	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	146.2	-177.3	-170.1	162.5	21.2	0	0	112.5	L136 K137 N181 L203 Y204 Q205	L136-Q207 HydrophobicContact CD2-CB 4.07Å; K137-Q207 PolarHBondContact N-O 2.79Å; N181-Q207 VanDerWaalsContact CG-NE2 3.34Å; N181-Q207 PolarHBondContact ND2-NE2 3.17Å; N181-Q207 VanDerWaalsContact OD1-CD 3.29Å; N181-Q207 WeakPolarHBondContact OD1-CG 3.37Å; N181-Q207 PolarHBondContact OD1-NE2 3.09Å; L203-Q207 VanDerWaalsContact CA-OE1 3.23Å; L203-Q207 HydrophobicContact CD2-CG 4.48Å; Y204-Q207 HydrophobicContact CD2-CB 4.36Å; Y204-Q207 VanDerWaalsContact CE1-CD 3.45Å; Y204-Q207 HydrophobicContact CE1-CG 4.27Å; Y204-Q207 VanDerWaalsContact CE1-NE2 3.34Å; Y204-Q207 HydrophobicContact CE2-CB 4.28Å; Y204-Q207 WeakPolarHBondContact O-CB 3.42Å; Y204-Q207 PolarHBondContact O-N 3.21Å; Q205-Q207 VanDerWaalsContact C-N 3.3Å; Q205-Q207 PolarHBondContact O-N 2.93Å
208	V	87.1	Confident	80.1	Confident	23 Å²	23	45.7 Å²	45.7	14%	0.139	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	121.3	-174.5	-177.9	0	0	0	0	110.5	K137 M147 R182 V210	K137-V208 HydrophobicContact CB-CG2 4.1Å; K137-V208 HydrophobicContact CD-CG2 4.39Å; K137-V208 CarbonylContact O-C 3.55Å; K137-V208 VanDerWaalsContact O-CA 3.3Å; K137-V208 WeakPolarHBondContact O-CA 3.41Å; M147-V208 HydrophobicContact SD-CG2 4.38Å; R182-V208 HydrophobicContact CB-CB 4.21Å; R182-V208 HydrophobicContact CB-CG1 4.28Å; R182-V208 PolarHBondContact N-O 3.31Å; V208-V210 HydrophobicContact CG1-CG2 4.29Å
209	L	89.6	Confident	79.7	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.9	171.5	-59.2	-172.6	0	0	0	110.5	L136 K137 L138 C139 I161 M165 W180 N181 L191 L203	L136-L209 HydrophobicContact CD1-CD1 3.91Å; K137-L209 PolarHBondContact O-N 3.35Å; L138-L209 WeakPolarHBondContact CA-O 3.26Å; L138-L209 HydrophobicContact CD2-CB 4.02Å; L138-L209 HydrophobicContact CD2-CD1 4.28Å; L138-L209 HydrophobicContact CD2-CG 4.46Å; C139-L209 PolarHBondContact N-O 3.41Å; I161-L209 HydrophobicContact CD1-CD1 4.11Å; I161-L209 HydrophobicContact CG2-CD1 3.81Å; M165-L209 HydrophobicContact CE-CB 4.49Å; M165-L209 WeakPolarHBondContact CE-O 3.09Å; M165-L209 HydrophobicContact SD-CB 4.3Å; W180-L209 WeakPolarHBondContact O-CA 3.46Å; N181-L209 HydrophobicContact CB-CD2 3.99Å; L191-L209 HydrophobicContact CD1-CD1 4.34Å; L191-L209 HydrophobicContact CD1-CD2 3.74Å; L203-L209 HydrophobicContact CD1-CD1 4.19Å; L203-L209 HydrophobicContact CD1-CD2 4.45Å; L203-L209 HydrophobicContact CD2-CD2 3.98Å
210	V	88.4	Confident	79.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127.7	-175.5	-168.5	0	0	0	0	109.1	C139 D141 M144 W180 R182 F188 V208	C139-V210 WeakPolarHBondContact O-CA 3.3Å; D141-V210 HydrophobicContact CB-CG1 4.01Å; M144-V210 HydrophobicContact CE-CG1 4.04Å; M144-V210 HydrophobicContact CE-CG2 3.7Å; W180-V210 HydrophobicContact CB-CB 4.35Å; W180-V210 PolarHBondContact N-O 3.04Å; W180-V210 PolarHBondContact O-N 3.27Å; R182-V210 HydrophobicContact CB-CG2 4.07Å; F188-V210 HydrophobicContact CE1-CG2 4.13Å; V208-V210 HydrophobicContact CG1-CG2 4.29Å
211	I	89.3	Confident	79.7	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.8	172.1	-165.7	157.9	0	0	0	110.1	C139 E140 D141 E162 M165 R166 F169 I171 T177 R178 L179	C139-I211 PolarHBondContact O-N 3.21Å; E140-I211 HydrophobicContact CG-CG2 4.36Å; D141-I211 PolarHBondContact N-O 3.34Å; E162-I211 HydrophobicContact CG-CD1 4.1Å; M165-I211 HydrophobicContact CB-CD1 3.95Å; M165-I211 HydrophobicContact CB-CG2 4.5Å; M165-I211 HydrophobicContact CE-CB 3.67Å; M165-I211 HydrophobicContact CE-CG2 3.78Å; M165-I211 HydrophobicContact SD-CB 4.42Å; R166-I211 HydrophobicContact CG-CD1 4.24Å; F169-I211 HydrophobicContact CD2-CG2 3.79Å; F169-I211 HydrophobicContact CE2-CG2 4.27Å; I171-I211 HydrophobicContact CD1-CD1 3.92Å; I171-I211 HydrophobicContact CD1-CG1 4.11Å; I171-I211 HydrophobicContact CD1-CG2 3.82Å; T177-I211 HydrophobicContact CG2-CD1 4.18Å; T177-I211 HydrophobicContact CG2-CG1 4.16Å; R178-I211 WeakPolarHBondContact O-CA 3.32Å; L179-I211 HydrophobicContact CD2-CB 4.12Å; L179-I211 HydrophobicContact CD2-CD1 4.3Å; L179-I211 HydrophobicContact CD2-CG1 4.29Å
212	E	88.6	Confident	79.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	126.4	176	-179.9	-171	-152.4	0	0	108.5	D141 T177 R178 W180 W220 P221 R222	D141-E212 HydrophobicContact CB-CB 4.27Å; T177-E212 CarbonylContact C-O 3.54Å; T177-E212 WeakPolarHBondContact CA-O 3.47Å; T177-E212 WeakPolarHBondContact CB-O 3.34Å; R178-E212 HydrophobicContact CB-CB 4.36Å; R178-E212 WeakPolarHBondContact CD-OE2 3.4Å; R178-E212 PolarHBondContact N-O 3.37Å; R178-E212 IonicContact NH1-OE2 2.73Å; R178-E212 PolarHBondContact O-N 3.41Å; W180-E212 PolarHBondContact NE1-OE2 3.35Å; E212-W220 HydrophobicContact CG-CE3 4.01Å; E212-W220 HydrophobicContact CG-CZ3 4.43Å; E212-P221 HydrophobicContact CG-CB 4.38Å; E212-P221 HydrophobicContact CG-CG 4.06Å; E212-P221 VanDerWaalsContact OE1-CD 3.3Å; E212-P221 WeakPolarHBondContact OE1-CD 3.24Å; E212-R222 WeakPolarHBondContact OE1-CB 3.47Å; E212-R222 PolarHBondContact OE1-N 3.48Å
213	Q	88.1	Confident	78.2	Confident	36 Å²	36	51 Å²	51	17%	0.168	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	144.6	170.2	-60.9	-167.9	46.6	0	0	110.4	E140 I171 T177 P221	E140-Q213 PolarHBondContact OE1-NE2 2.89Å; I171-Q213 HydrophobicContact CD1-CG 4.04Å; I171-Q213 HydrophobicContact CG1-CG 4.48Å; I171-Q213 HydrophobicContact CG2-CG 4.2Å; T177-Q213 HydrophobicContact CG2-CG 4.42Å; Q213-P221 VanDerWaalsContact O-CD 3.32Å; Q213-P221 WeakPolarHBondContact O-CD 3.45Å
214	K	83.9	Confident	76.4	Confident	54 Å²	54	54.6 Å²	54.6	24%	0.235	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-72.1	140	168.3	-165.4	175.4	-178	174.1	0	111	E176 G218 T219 W220	E176-K214 HydrophobicContact CB-CB 4.02Å; E176-K214 HydrophobicContact CB-CD 3.75Å; E176-K214 HydrophobicContact CG-CD 4.23Å; E176-K214 WeakPolarHBondContact O-CB 3.4Å; E176-K214 PolarHBondContact O-N 3.06Å; E176-K214 IonicContact OE1-NZ 3.22Å; E176-K214 PolarHBondContact OE1-NZ 2.98Å; E176-K214 WeakPolarHBondContact OE2-CD 3.32Å; E176-K214 IonicContact OE2-NZ 2.64Å; E176-K214 PolarHBondContact OE2-NZ 3.13Å; K214-G218 WeakPolarHBondContact CE-O 3.27Å; K214-T219 WeakPolarHBondContact CG-O 3.15Å; K214-W220 HydrophobicContact CB-CD2 4.39Å; K214-W220 HydrophobicContact CB-CE3 4.16Å; K214-W220 HydrophobicContact CB-CH2 3.81Å; K214-W220 HydrophobicContact CB-CZ2 4.03Å; K214-W220 HydrophobicContact CB-CZ3 3.87Å; K214-W220 HydrophobicContact CD-CH2 4.35Å; K214-W220 HydrophobicContact CD-CZ2 3.8Å; K214-W220 HydrophobicContact CG-CD2 4.25Å; K214-W220 HydrophobicContact CG-CH2 4.33Å; K214-W220 HydrophobicContact CG-CZ2 4.03Å
215	N	79.6	Confident	75	Confident	70 Å²	70	59.8 Å²	59.8	37%	0.374	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-75.2	158.4	178.9	-69	-31.8	0	0	0	112.1	D217 G218 T219	N215-D217 WeakPolarHBondContact CB-OD1 3.49Å; N215-D217 PolarHBondContact O-N 2.98Å; N215-G218 WeakPolarHBondContact O-CA 3.47Å; N215-G218 PolarHBondContact O-N 2.91Å; N215-T219 WeakPolarHBondContact CB-O 3.32Å; N215-T219 PolarHBondContact N-O 3.42Å; N215-T219 PolarHBondContact ND2-OG1 3.4Å
216	E	73.7	Confident	72.9	Confident	201 Å²	201	56.9 Å²	56.9	94%	0.939	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-22.1	178.3	-62.3	-172.9	167.1	0	0	113.5	G218	E216-G218 PolarHBondContact O-N 3.25Å
217	D	69.8	Low	70.6	Confident	119 Å²	119	61 Å²	61	64%	0.636	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-0.2	171.8	68.7	-0.1	0	0	0	113.4	N215 T219	N215-D217 WeakPolarHBondContact CB-OD1 3.49Å; N215-D217 PolarHBondContact O-N 2.98Å; D217-T219 VanDerWaalsContact C-N 3.33Å; D217-T219 VanDerWaalsContact OD1-CB 3.27Å; D217-T219 WeakPolarHBondContact OD1-CB 3.13Å; D217-T219 WeakPolarHBondContact OD1-CG2 3.07Å; D217-T219 PolarHBondContact OD1-N 2.8Å; D217-T219 PolarHBondContact OD1-OG1 3.09Å; D217-T219 PolarHBondContact OD2-OG1 2.81Å
218	G	66.1	Low	68	Low	42 Å²	42	69.8 Å²	69.8	43%	0.433	39%	0.389	S	S	.	.	S	Bend	trans	83.1	1	-178.4	0	0	0	0	0	115.1	K214 N215 E216	K214-G218 WeakPolarHBondContact CE-O 3.27Å; N215-G218 WeakPolarHBondContact O-CA 3.47Å; N215-G218 PolarHBondContact O-N 2.91Å; E216-G218 PolarHBondContact O-N 3.25Å
219	T	75.2	Confident	65.3	Low	64 Å²	64	74.1 Å²	74.1	39%	0.393	42%	0.42	S	S	.	.			trans	-80.2	166.9	176.2	68.4	0	0	0	0	112.5	K214 N215 D217	K214-T219 WeakPolarHBondContact CG-O 3.15Å; N215-T219 WeakPolarHBondContact CB-O 3.32Å; N215-T219 PolarHBondContact N-O 3.42Å; N215-T219 PolarHBondContact ND2-OG1 3.4Å; D217-T219 VanDerWaalsContact C-N 3.33Å; D217-T219 VanDerWaalsContact OD1-CB 3.27Å; D217-T219 WeakPolarHBondContact OD1-CB 3.13Å; D217-T219 WeakPolarHBondContact OD1-CG2 3.07Å; D217-T219 PolarHBondContact OD1-N 2.8Å; D217-T219 PolarHBondContact OD1-OG1 3.09Å; D217-T219 PolarHBondContact OD2-OG1 2.81Å
220	W	78.9	Confident	62.4	Low	31 Å²	31	79.4 Å²	79.4	12%	0.117	46%	0.457	C	S	.	.			trans	-111.5	129.3	172.1	-69.4	97	0	0	0	108.8	E176 R178 E212 K214 R222 G223	E176-W220 HydrophobicContact CB-CH2 3.9Å; E176-W220 HydrophobicContact CB-CZ2 4.12Å; R178-W220 HydrophobicContact CB-CZ3 4.2Å; R178-W220 HydrophobicContact CG-CE3 4.21Å; R178-W220 HydrophobicContact CG-CH2 3.73Å; R178-W220 HydrophobicContact CG-CZ2 4.33Å; R178-W220 HydrophobicContact CG-CZ3 3.67Å; R178-W220 VanDerWaalsContact NH1-CG 3.32Å; E212-W220 HydrophobicContact CG-CE3 4.01Å; E212-W220 HydrophobicContact CG-CZ3 4.43Å; K214-W220 HydrophobicContact CB-CD2 4.39Å; K214-W220 HydrophobicContact CB-CE3 4.16Å; K214-W220 HydrophobicContact CB-CH2 3.81Å; K214-W220 HydrophobicContact CB-CZ2 4.03Å; K214-W220 HydrophobicContact CB-CZ3 3.87Å; K214-W220 HydrophobicContact CD-CH2 4.35Å; K214-W220 HydrophobicContact CD-CZ2 3.8Å; K214-W220 HydrophobicContact CG-CD2 4.25Å; K214-W220 HydrophobicContact CG-CH2 4.33Å; K214-W220 HydrophobicContact CG-CZ2 4.03Å; W220-R222 PolarHBondContact O-N 3.3Å; W220-R222 VanDerWaalsContact O-N 3.14Å; W220-G223 PolarHBondContact O-N 2.98Å
221	P	70.8	Confident	59.5	Low	66 Å²	66	82.9 Å²	82.9	43%	0.429	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-40.7	177.9	-32.3	35.5	0	0	0	114.9	E212 Q213 G223	E212-P221 HydrophobicContact CG-CB 4.38Å; E212-P221 HydrophobicContact CG-CG 4.06Å; E212-P221 VanDerWaalsContact OE1-CD 3.3Å; E212-P221 WeakPolarHBondContact OE1-CD 3.24Å; Q213-P221 VanDerWaalsContact O-CD 3.32Å; Q213-P221 WeakPolarHBondContact O-CD 3.45Å; P221-G223 VanDerWaalsContact C-N 3.32Å; P221-G223 PolarHBondContact O-N 3.49Å
222	R	65.5	Low	56.6	Low	93 Å²	93	87 Å²	87	35%	0.351	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	7.9	-179.1	-63.5	-176.3	170.4	-87.2	-12	114.6	D141 F188 E212 W220	D141-R222 IonicContact OD1-CZ 2.76Å; D141-R222 IonicContact OD1-NE 3.29Å; D141-R222 PolarHBondContact OD1-NE 2.94Å; D141-R222 IonicContact OD1-NH2 3.77Å; D141-R222 PolarHBondContact OD1-NH2 2.77Å; D141-R222 IonicContact OD2-NE 3.93Å; F188-R222 VanDerWaalsContact CE1-CZ 3.48Å; E212-R222 WeakPolarHBondContact OE1-CB 3.47Å; E212-R222 PolarHBondContact OE1-N 3.48Å; W220-R222 PolarHBondContact O-N 3.3Å; W220-R222 VanDerWaalsContact O-N 3.14Å
223	G	54.5	Low	53.7	Low	37 Å²	37	93.1 Å²	93.1	38%	0.381	57%	0.57	S	S	.	*			trans	81.5	163.5	179.5	0	0	0	0	0	114.1	W220 P221 M225	W220-G223 PolarHBondContact O-N 2.98Å; P221-G223 VanDerWaalsContact C-N 3.32Å; P221-G223 PolarHBondContact O-N 3.49Å; G223-M225 PolarHBondContact O-N 3.31Å
224	S	40.3	Very low	51.2	Low	89 Å²	89	98.4 Å²	98.4	62%	0.622	60%	0.599	S	S	*	*			trans	-98.1	75.5	-171.4	-176	0	0	0	0	113.1	A226	S224-A226 PolarHBondContact O-N 3.2Å
225	M	47.3	Very low	48.6	Very low	190 Å²	190	103.6 Å²	103.6	94%	0.936	63%	0.629	S	S	*	*			trans	-72.1	81.8	157	-76.4	-146.9	75.8	0	0	110	G223	G223-M225 PolarHBondContact O-N 3.31Å
226	A	32.9	Very low	46.4	Very low	45 Å²	45	105.3 Å²	105.3	37%	0.372	65%	0.646	S	S	.	*			trans	-146.3	75.3	173.7	0	0	0	0	0	110.1	S224 K228	S224-A226 PolarHBondContact O-N 3.2Å; A226-K228 PolarHBondContact O-N 3.2Å
227	S	28.7	Very low	44.2	Very low	117 Å²	117	100.8 Å²	100.8	82%	0.818	64%	0.643	S	S	*	*			trans	-68.1	78.6	166.6	52.9	0	0	0	0	110	S229	S227-S229 VanDerWaalsContact C-N 3.3Å; S227-S229 PolarHBondContact O-N 3.4Å
228	K	30.6	Very low	42.2	Very low	188 Å²	188	102.6 Å²	102.6	82%	0.817	65%	0.652	S	S	*	*			trans	-69.7	83.2	175.8	-75.9	-169.4	175.3	-176.1	0	110.8	A226 S230	A226-K228 PolarHBondContact O-N 3.2Å; K228-S230 PolarHBondContact O-N 2.98Å; K228-S230 VanDerWaalsContact O-N 3.13Å
229	S	29.9	Very low	40.7	Very low	115 Å²	115	105.8 Å²	105.8	80%	0.804	67%	0.665	S	S	*	*			trans	-71.4	96.7	161	54.1	0	0	0	0	109	S227	S227-S229 VanDerWaalsContact C-N 3.3Å; S227-S229 PolarHBondContact O-N 3.4Å
230	S	29.2	Very low	38.2	Very low	111 Å²	111	111.7 Å²	111.7	78%	0.776	69%	0.685	S	S	*	*			trans	-153.4	121.4	177.1	-57.2	0	0	0	0	109.2	K228	K228-S230 PolarHBondContact O-N 2.98Å; K228-S230 VanDerWaalsContact O-N 3.13Å
231	G	27.4	Very low	35.6	Very low	72 Å²	72	118 Å²	118	74%	0.742	72%	0.72	S	S	*	*			cis	174.7	-169.3	-4.4	0	0	0	0	0	111.2
232	A	28.3	Very low	33.2	Very low	88 Å²	88	119.9 Å²	119.9	73%	0.727	74%	0.735	S	S	*	*			trans	61.7	100.6	170.7	0	0	0	0	0	118	N234	A232-N234 PolarHBondContact O-N 3.11Å
233	S	26.8	Very low	32.5	Very low	128 Å²	128	121 Å²	121	90%	0.895	75%	0.754	S	S	*	*			trans	-74.1	99.6	144.6	51.9	0	0	0	0	109.2
234	N	34.9	Very low	31.2	Very low	147 Å²	147	124.3 Å²	124.3	79%	0.786	77%	0.771	S	S	*	*			trans	-111.1	159.2	166.3	-104.6	-42.2	0	0	0	110.4	A232 S236	A232-N234 PolarHBondContact O-N 3.11Å; N234-S236 PolarHBondContact O-N 3.46Å
235	L	29.4	Very low	30.5	Very low	162 Å²	162	124.7 Å²	124.7	85%	0.848	77%	0.773	S	S	*	*	S	Bend	trans	-52.1	120.2	-161.7	-67.6	162.3	0	0	0	116.3
236	S	33.7	Very low	29.5	Very low	107 Å²	107	122.7 Å²	122.7	75%	0.748	77%	0.766	S	S	*	*			trans	47.1	110.5	141.8	63.3	0	0	0	0	121	N234	N234-S236 PolarHBondContact O-N 3.46Å
237	A	28.9	Very low	29.1	Very low	105 Å²	105	125.5 Å²	125.5	87%	0.868	78%	0.778	S	S	*	*				170.4	150.8	123.3	0	0	0	0	0	113.5
238	L	26.9	Very low	29.1	Very low	157 Å²	157	126.2 Å²	126.2	82%	0.822	77%	0.773	S	S	*	*			trans	-77.8	165.2	165.9	-77	162.2	0	0	0	110.6
239	P	33.8	Very low	29	Very low	110 Å²	110	123 Å²	123	71%	0.714	77%	0.765	S	S	*	*			cis	-147.3	154.7	26.1	40.9	-20.4	0	0	0	120.3
240	K	23.2	Very low	29	Very low	187 Å²	187	124.3 Å²	124.3	81%	0.813	76%	0.758	S	S	*	*			trans	47.3	154.6	132.9	-57.7	-175.6	174.8	-176.6	0	124.7
241	I	24.2	Very low	28.9	Very low	164 Å²	164	125.3 Å²	125.3	84%	0.841	76%	0.755	S	S	*	*			trans	88.1	124.2	154.6	-28.5	-176.8	0	0	0	118.7
242	S	20.8	Very low	29.1	Very low	106 Å²	106	126.6 Å²	126.6	74%	0.741	75%	0.752	S	S	*	*			trans	-98.6	-162.2	174.4	-24.6	0	0	0	0	111.3
243	P	50.4	Low	29.3	Very low	116 Å²	116	127.1 Å²	127.1	75%	0.753	75%	0.751	S	S	*	*			cis	-130.9	-149.5	-23.8	38.2	-18.3	0	0	0	111.5
244	S	26.5	Very low	29.4	Very low	107 Å²	107	130.3 Å²	130.3	75%	0.748	75%	0.749	S	S	*	*			trans	86.9	147.4	165	82	0	0	0	0	117.5
245	S	26.6	Very low	29.1	Very low	96 Å²	96	129.9 Å²	129.9	67%	0.671	75%	0.746	S	S	*	*			cis	-170.5	150.6	-15.7	-102.9	0	0	0	0	112.1
246	L	26.2	Very low	29.1	Very low	149 Å²	149	126.4 Å²	126.4	78%	0.78	74%	0.736	S	S	*	*			trans	44.5	149.2	136.6	-50	172.3	0	0	0	121.3
247	T	25.7	Very low	28.9	Very low	103 Å²	103	131.9 Å²	131.9	63%	0.632	74%	0.74	S	S	*	*			cis	-175.2	151	-7.4	25.3	0	0	0	0	111.9
248	N	28	Very low	29	Very low	132 Å²	132	133.6 Å²	133.6	71%	0.706	74%	0.735	S	S	*	*			trans	67.9	146.8	137	-66.9	5.3	0	0	0	126
249	N	27.1	Very low	29	Very low	122 Å²	122	132.5 Å²	132.5	65%	0.652	73%	0.734	S	S	*	*			trans	78.2	147.6	144.2	-70.4	-3.4	0	0	0	120.1
250	H	31.2	Very low	28.8	Very low	142 Å²	142	136.4 Å²	136.4	66%	0.657	74%	0.74	S	S	*	*			cis	-162.9	157	-3.2	-119.7	-32.3	0	0	0	112.6
251	N	27.4	Very low	29.2	Very low	132 Å²	132	135 Å²	135	71%	0.706	74%	0.742	S	S	*	*			trans	34.1	152.1	135.5	-69.7	14.4	0	0	0	123.4
252	S	31.4	Very low	29.3	Very low	98 Å²	98	132.8 Å²	132.8	69%	0.685	74%	0.741	S	S	*	*			cis	179.3	164.6	-11.8	55	0	0	0	0	113.3
253	S	31.8	Very low	29.6	Very low	99 Å²	99	131.6 Å²	131.6	69%	0.692	73%	0.732	S	S	*	*			trans	86.4	130.3	144.2	-162.9	0	0	0	0	121.8
254	F	28.4	Very low	28.4	Very low	195 Å²	195	137.5 Å²	137.5	86%	0.855	74%	0.741	S	S	*	*			trans	-164.1	161.6	131.5	-103.3	-63.4	0	0	0	113.4
255	N	29.1	Very low	28.5	Very low	138 Å²	138	136.7 Å²	136.7	74%	0.738	74%	0.735	S	S	*	*			trans	-59.9	176.4	-170.6	-54.7	-59.7	0	0	0	116.9
256	S	28.8	Very low	28.3	Very low	90 Å²	90	139.9 Å²	139.9	63%	0.629	74%	0.744	S	S	*	*			cis	-168.9	149.6	21.5	-147.8	0	0	0	0	115.4
257	R	30.3	Very low	29.2	Very low	221 Å²	221	138.4 Å²	138.4	83%	0.834	74%	0.744	S	S	*	*			trans	32.4	142.8	135.6	-65.1	177.7	-178.2	158.9	3	120.7
258	N	30.6	Very low	29.1	Very low	141 Å²	141	138.7 Å²	138.7	75%	0.754	75%	0.749	S	S	*	*			cis	-152.4	-151.8	16.4	-113.1	-2.7	0	0	0	108.8
259	V	28.1	Very low	29.1	Very low	135 Å²	135	137.8 Å²	137.8	82%	0.818	75%	0.754	S	S	*	*			cis	-142.8	-150.5	17.7	-168.6	0	0	0	0	110.3
260	K	29.4	Very low	29	Very low	191 Å²	191	142.4 Å²	142.4	83%	0.83	76%	0.764	S	S	*	*			trans	-126.5	150.5	-176.2	-50.4	164.7	-177.7	176.5	0	109
261	N	30.4	Very low	30	Very low	159 Å²	159	140.7 Å²	140.7	85%	0.85	77%	0.765	S	S	*	*			cis	83.1	138.8	18.6	-154.3	15.4	0	0	0	117.2
262	S	26.9	Very low	29.7	Very low	117 Å²	117	139.7 Å²	139.7	82%	0.818	76%	0.764	S	S	*	*			trans	-144.1	155.1	175.2	-168.7	0	0	0	0	110.3
263	S	27.3	Very low	29.2	Very low	81 Å²	81	145.3 Å²	145.3	57%	0.566	77%	0.771	S	S	*	*			trans	-127.4	151.3	-158	59.2	0	0	0	0	114.9
264	Y	26.3	Very low	28.9	Very low	240 Å²	240	145.2 Å²	145.2	94%	0.941	77%	0.771	S	S	*	*			trans	-139.1	157.9	136.5	-88.3	-68.8	0	0	0	110.5
265	S	26.7	Very low	28.6	Very low	89 Å²	89	142.8 Å²	142.8	62%	0.622	77%	0.767	S	S	*	*			trans	-153.4	153.8	-158.7	-44.1	0	0	0	0	113.6
266	L	23.8	Very low	28.9	Very low	163 Å²	163	139.6 Å²	139.6	85%	0.853	76%	0.755	S	S	*	*			trans	70.8	165.5	152.6	-71	165.8	0	0	0	117.1
267	P	45	Very low	28.7	Very low	119 Å²	119	146 Å²	146	77%	0.773	77%	0.767	S	S	*	*			cis	-126.1	175.3	6.7	33	-12.9	0	0	0	116.9
268	S	23.8	Very low	28.9	Very low	108 Å²	108	142.2 Å²	142.2	76%	0.755	76%	0.764	S	S	*	*			trans	-117	147.8	159.5	170.6	0	0	0	0	109.4
269	S	28.3	Very low	28.8	Very low	114 Å²	114	145.2 Å²	145.2	80%	0.797	77%	0.766	S	S	*	*			trans	-153.8	147.9	168.6	53.6	0	0	0	0	111.7
270	Y	23.3	Very low	29	Very low	219 Å²	219	142.9 Å²	142.9	86%	0.859	76%	0.756	S	S	*	*			trans	-86.1	168.6	-177.4	-83.7	-116.6	0	0	0	112.2
271	P	53.3	Low	29.6	Very low	105 Å²	105	142.8 Å²	142.8	68%	0.682	76%	0.758	S	S	*	*			cis	-137.4	-166.9	-39.5	38.6	-20.8	0	0	0	112.1
272	T	20.4	Very low	29.7	Very low	112 Å²	112	142.4 Å²	142.4	69%	0.687	75%	0.751	S	S	*	*				147.3	144.7	124.2	-42.4	0	0	0	0	113.2
273	Y	22.3	Very low	30	Very low	215 Å²	215	141.9 Å²	141.9	84%	0.843	75%	0.748	S	S	*	*			trans	67.4	95.8	164.6	-80.7	-64.1	0	0	0	121.8
274	S	24.4	Very low	30.6	Very low	97 Å²	97	149.4 Å²	149.4	68%	0.678	76%	0.764	S	S	*	*				28.5	113.8	122.4	-154.9	0	0	0	0	120.1
275	N	23.3	Very low	31.1	Very low	145 Å²	145	146.7 Å²	146.7	78%	0.775	76%	0.759	S	S	*	*				-171.3	176	100.8	-101.8	12	0	0	0	113.1
276	S	33.5	Very low	32.1	Very low	71 Å²	71	147.1 Å²	147.1	50%	0.497	76%	0.762	S	S	.	*			trans	-36.5	153.2	167.6	54.1	0	0	0	0	114.7
277	Y	26.1	Very low	34	Very low	223 Å²	223	143 Å²	143	88%	0.875	74%	0.739	S	S	*	*				-144.3	167.2	56.5	-77.2	-79.8	0	0	0	116.9
278	D	34.8	Very low	35.6	Very low	143 Å²	143	144 Å²	144	77%	0.765	73%	0.727	S	S	*	*			trans	-71.5	158.7	180	-155.4	-11.6	0	0	0	112.4
279	Y	28.1	Very low	38.8	Very low	204 Å²	204	140.7 Å²	140.7	80%	0.8	70%	0.704	S	S	*	*			trans	-147.9	108.4	164.4	-130	-82.3	0	0	0	110.1
280	S	32.8	Very low	41.7	Very low	86 Å²	86	135.3 Å²	135.3	60%	0.601	67%	0.666	S	S	*	*			trans	-71.4	164.5	-177.5	59.1	0	0	0	0	112.9
281	E	39.9	Very low	45.1	Very low	188 Å²	188	126.1 Å²	126.1	88%	0.879	63%	0.632	S	S	*	*			trans	-55.4	145.8	173.8	-61.3	166.8	112.3	0	0	112.7
282	Q	32.9	Very low	47.1	Very low	152 Å²	152	121.2 Å²	121.2	71%	0.71	60%	0.6	S	S	*	*			trans	-117	138.2	162	-109.5	80.8	82.8	0	0	109.6
283	S	33.8	Very low	50.7	Low	106 Å²	106	115.9 Å²	115.9	74%	0.741	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-66.9	154.6	-167.2	-167.4	0	0	0	0	114.3
284	R	39.3	Very low	54.2	Low	239 Å²	239	105.7 Å²	105.7	90%	0.902	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-76.2	118.5	158	-69.7	178.6	175.5	175.6	-2.2	108.1	S286	R284-S286 PolarHBondContact O-N 2.64Å
285	H	37.3	Very low	57.4	Low	182 Å²	182	101.9 Å²	101.9	84%	0.843	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-64.7	126.5	169	-75.7	-79.2	0	0	0	110
286	S	47	Very low	60.5	Low	99 Å²	99	97.8 Å²	97.8	69%	0.692	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-70.9	139.2	158.2	-167.6	0	0	0	0	108.3	R284	R284-S286 PolarHBondContact O-N 2.64Å
287	E	64.6	Low	62.9	Low	77 Å²	77	95.9 Å²	95.9	36%	0.36	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-72.6	152.3	164	-67.1	165.1	148.3	0	0	107.8	G355 Y357 S358	E287-G355 WeakPolarHBondContact O-CA 3.37Å; E287-G355 VanDerWaalsContact O-O 3.13Å; E287-Y357 VanDerWaalsContact OE2-CA 3.28Å; E287-Y357 WeakPolarHBondContact OE2-CA 3.37Å; E287-Y357 PolarHBondContact OE2-N 2.81Å; E287-S358 VanDerWaalsContact CD-N 3.35Å; E287-S358 WeakPolarHBondContact OE1-CB 3.46Å; E287-S358 PolarHBondContact OE1-N 3.01Å; E287-S358 PolarHBondContact OE1-OG 2.68Å; E287-S358 PolarHBondContact OE2-N 3.09Å
288	R	79.6	Confident	65.3	Low	138 Å²	138	86.8 Å²	86.8	52%	0.521	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-90.4	143.1	-175.3	-71.1	179.3	169.7	-169.4	-9.8	111.1	G290 L291 D907	R288-G290 PolarHBondContact O-N 3.18Å; R288-L291 HydrophobicContact CB-CD1 3.95Å; R288-L291 HydrophobicContact CB-CG 4.13Å; R288-L291 PolarHBondContact O-N 2.71Å; R288-L291 VanDerWaalsContact O-N 3.13Å; R288-D907 IonicContact CZ-OD2 2.71Å; R288-D907 IonicContact NH1-OD2 3.76Å; R288-D907 PolarHBondContact NH1-OD2 3.01Å
289	S	90.1	Very high	67.6	Low	40 Å²	40	82.9 Å²	82.9	28%	0.28	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	133.9	176.8	-52.8	0	0	0	0	111.9	L291 W353 N904	S289-L291 PolarHBondContact O-N 3.14Å; S289-W353 WeakPolarHBondContact CB-O 3.32Å; S289-W353 PolarHBondContact OG-O 3.17Å; S289-N904 PolarHBondContact O-ND2 3.49Å
290	G	89	Confident	70.6	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	-13.9	-178.3	0	0	0	0	0	115	R288 C292 L352 F913	R288-G290 PolarHBondContact O-N 3.18Å; G290-C292 PolarHBondContact O-N 2.93Å; G290-C292 VanDerWaalsContact O-N 3.12Å; G290-L352 PolarHBondContact N-O 3.07Å; G290-L352 VanDerWaalsContact N-O 3.15Å; G290-F913 WeakPolarHBondContact O-CE1 3.35Å
291	L	94.8	Very high	73.5	Confident	27 Å²	27	69.4 Å²	69.4	14%	0.141	35%	0.351	C	S	.	.			trans	-88.8	52.9	175.6	-56.6	-167.8	0	0	0	111.8	R288 S289 N904 Y911 F913 V918	R288-L291 HydrophobicContact CB-CD1 3.95Å; R288-L291 HydrophobicContact CB-CG 4.13Å; R288-L291 PolarHBondContact O-N 2.71Å; R288-L291 VanDerWaalsContact O-N 3.13Å; S289-L291 PolarHBondContact O-N 3.14Å; L291-N904 HydrophobicContact CD2-CB 3.98Å; L291-Y911 HydrophobicContact CD1-CD1 4.39Å; L291-Y911 HydrophobicContact CD1-CE1 3.72Å; L291-Y911 HydrophobicContact CD1-CE2 4.13Å; L291-Y911 HydrophobicContact CD2-CD1 3.96Å; L291-Y911 HydrophobicContact CD2-CD2 3.56Å; L291-Y911 HydrophobicContact CD2-CE1 4.02Å; L291-Y911 HydrophobicContact CD2-CE2 3.64Å; L291-Y911 HydrophobicContact CD2-CG 3.73Å; L291-F913 HydrophobicContact CD2-CZ 4.47Å; L291-V918 HydrophobicContact CB-CG1 4.41Å
292	C	95.9	Very high	76.1	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.007	31%	0.312	C	S	.	.			trans	-123.3	126.7	-174.5	-171.8	0	0	0	0	111.1	G290 Q308 L352 Y357 S358 Y359	G290-C292 PolarHBondContact O-N 2.93Å; G290-C292 VanDerWaalsContact O-N 3.12Å; C292-Q308 PolarHBondContact O-NE2 3.37Å; C292-L352 HydrophobicContact CB-CB 4.35Å; C292-L352 HydrophobicContact CB-CD2 3.68Å; C292-L352 WeakPolarHBondContact CB-O 3.22Å; C292-L352 WeakPolarHBondContact O-CD2 3.44Å; C292-Y357 WeakPolarHBondContact CB-O 3.46Å; C292-Y357 PolarHBondContact SG-O 3.15Å; C292-S358 CarbonylContact C-O 3.53Å; C292-S358 WeakPolarHBondContact CA-O 3.37Å; C292-Y359 VanDerWaalsContact SG-CA 3.57Å
293	G	94.6	Very high	79.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	172.3	177.5	0	0	0	0	0	114.5	S358 Y359 V360 D915	G293-S358 PolarHBondContact N-O 2.8Å; G293-Y359 CarbonylContact O-C 3.53Å; G293-Y359 VanDerWaalsContact O-CA 3.25Å; G293-Y359 WeakPolarHBondContact O-CA 3.3Å; G293-V360 PolarHBondContact O-N 2.83Å; G293-D915 CarbonylContact C-O 3.53Å; G293-D915 WeakPolarHBondContact CA-O 3.46Å
294	L	96	Very high	82.1	Confident	1 Å²	1	49 Å²	49	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	114	178.3	-69.7	174.1	0	0	0	111.2	N296 N304 V307 Q308 L348 L352 V360 P362 D915 S916	L294-N296 PolarHBondContact O-N 2.68Å; L294-N304 HydrophobicContact CB-CB 3.89Å; L294-N304 HydrophobicContact CD1-CB 4.17Å; L294-N304 PolarHBondContact O-ND2 3.09Å; L294-V307 HydrophobicContact CD1-CB 3.87Å; L294-V307 HydrophobicContact CD1-CG1 3.77Å; L294-Q308 HydrophobicContact CD1-CG 4.17Å; L294-L348 HydrophobicContact CD2-CD1 3.99Å; L294-L352 HydrophobicContact CD2-CD1 4.5Å; L294-L352 HydrophobicContact CD2-CD2 3.88Å; L294-L352 HydrophobicContact CG-CD2 4.27Å; L294-V360 WeakPolarHBondContact CA-O 3.23Å; L294-V360 HydrophobicContact CD2-CG2 3.73Å; L294-P362 HydrophobicContact CB-CG 4.49Å; L294-P362 HydrophobicContact CD2-CB 4.21Å; L294-P362 HydrophobicContact CD2-CG 4.09Å; L294-D915 PolarHBondContact N-O 3.11Å; L294-D915 CarbonylContact O-C 3.58Å; L294-D915 WeakPolarHBondContact O-CA 3.33Å; L294-D915 WeakPolarHBondContact O-CB 3.41Å; L294-S916 PolarHBondContact O-N 3.3Å
295	S	92.4	Very high	84.9	Confident	17 Å²	17	37.8 Å²	37.8	12%	0.119	20%	0.202	C	C	.	.			trans	-55.5	133.1	177.6	-56.4	0	0	0	0	112.3	N304 Y359 V360 T361	S295-N304 PolarHBondContact O-ND2 2.9Å; S295-Y359 WeakPolarHBondContact OG-CD2 3.48Å; S295-V360 PolarHBondContact N-O 3.25Å; S295-V360 PolarHBondContact OG-O 3.2Å; S295-T361 WeakPolarHBondContact CB-OG1 3.38Å; S295-T361 PolarHBondContact OG-OG1 2.68Å
296	N	89	Confident	87.7	Confident	60 Å²	60	29.2 Å²	29.2	32%	0.321	16%	0.164	S	C	.	.			trans	-67.8	132.2	170	-157.7	-48.5	0	0	0	110.5	L294 G298 N299 T300 D915	L294-N296 PolarHBondContact O-N 2.68Å; N296-G298 WeakPolarHBondContact OD1-CA 3.46Å; N296-G298 PolarHBondContact OD1-N 2.96Å; N296-N299 PolarHBondContact OD1-N 3.07Å; N296-N299 VanDerWaalsContact OD1-N 3.08Å; N296-T300 PolarHBondContact OD1-N 2.87Å; N296-D915 HydrophobicContact CB-CB 4.31Å; N296-D915 WeakPolarHBondContact CB-OD2 3.47Å; N296-D915 PolarHBondContact ND2-OD2 2.94Å
297	L	82.4	Confident	90.2	Very high	30 Å²	30	24.6 Å²	24.6	16%	0.157	13%	0.131	C	C	.	.	S	Bend	trans	-105	20	178.9	-69	173.6	0	0	0	112.6	T300 T361 P362 R363 K366 Y379	L297-T300 HydrophobicContact CB-CG2 3.81Å; L297-T300 PolarHBondContact N-OG1 2.79Å; L297-T361 HydrophobicContact CD2-CG2 3.76Å; L297-P362 HydrophobicContact CD1-CG 4.41Å; L297-R363 HydrophobicContact CD1-CG 3.9Å; L297-R363 HydrophobicContact CD2-CG 3.86Å; L297-K366 HydrophobicContact CD1-CB 3.96Å; L297-K366 HydrophobicContact CD1-CG 4.31Å; L297-Y379 WeakPolarHBondContact O-CE1 3.1Å
298	G	76.1	Confident	91.8	Very high	32 Å²	32	21 Å²	21	33%	0.33	11%	0.114	S	C	.	.	S	Bend	trans	98.1	97.5	-176.3	0	0	0	0	0	110.9	N296 T300	N296-G298 WeakPolarHBondContact OD1-CA 3.46Å; N296-G298 PolarHBondContact OD1-N 2.96Å; G298-T300 PolarHBondContact O-N 2.82Å
299	N	84.9	Confident	92.6	Very high	62 Å²	62	14.5 Å²	14.5	33%	0.332	9%	0.09	S	C	.	.	S	Bend	trans	56.3	26.3	-174.4	-74.4	-46.1	0	0	0	114.7	N296 F302 Y379 Q381	N296-N299 PolarHBondContact OD1-N 3.07Å; N296-N299 VanDerWaalsContact OD1-N 3.08Å; N299-F302 WeakPolarHBondContact O-CD1 3.28Å; N299-F302 VanDerWaalsContact O-CE1 3.31Å; N299-F302 WeakPolarHBondContact O-CE1 3.23Å; N299-Y379 WeakPolarHBondContact CB-O 3.38Å; N299-Y379 PolarHBondContact ND2-O 2.71Å; N299-Q381 HydrophobicContact CB-CG 3.9Å; N299-Q381 WeakPolarHBondContact OD1-CG 3.36Å; N299-Q381 PolarHBondContact OD1-NE2 2.92Å
300	T	90.6	Very high	93	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.018	8%	0.076	C	C	.	.			trans	-95	11.9	-179.2	69.4	0	0	0	0	114.6	N296 L297 G298 F302 M303 N304	N296-T300 PolarHBondContact OD1-N 2.87Å; L297-T300 HydrophobicContact CB-CG2 3.81Å; L297-T300 PolarHBondContact N-OG1 2.79Å; G298-T300 PolarHBondContact O-N 2.82Å; T300-F302 PolarHBondContact O-N 3.09Å; T300-M303 WeakPolarHBondContact O-CA 3.4Å; T300-M303 WeakPolarHBondContact O-CB 3.49Å; T300-M303 PolarHBondContact O-N 3.44Å; T300-N304 PolarHBondContact O-N 3.49Å
301	C	93.7	Very high	93.4	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.02	8%	0.076	C	C	.	.	H	α-helix	trans	-59.4	-30.1	178.6	51.9	0	0	0	0	113	M303 N304 S305 H897 D915	C301-M303 VanDerWaalsContact C-N 3.26Å; C301-M303 PolarHBondContact O-N 2.73Å; C301-N304 PolarHBondContact O-N 3.14Å; C301-S305 WeakPolarHBondContact O-CB 3.34Å; C301-S305 PolarHBondContact O-N 2.92Å; C301-H897 VanDerWaalsContact CB-CE1 3.46Å; C301-H897 WeakPolarHBondContact CB-CE1 3.44Å; C301-H897 WeakPolarHBondContact CB-ND1 3.22Å; C301-H897 PolarHBondContact SG-ND1 2.9Å; C301-D915 WeakPolarHBondContact CA-OD1 3.48Å; C301-D915 WeakPolarHBondContact CB-OD1 3.27Å
302	F	94.2	Very high	93.5	Very high	10 Å²	10	11.6 Å²	11.6	4%	0.044	7%	0.071	C	C	.	.	H	α-helix	trans	-58.5	-37.7	171.6	75.4	-86.5	0	0	0	112.4	N299 T300 A306 F376 Q382 S384 L387 Y898	N299-F302 WeakPolarHBondContact O-CD1 3.28Å; N299-F302 VanDerWaalsContact O-CE1 3.31Å; N299-F302 WeakPolarHBondContact O-CE1 3.23Å; T300-F302 PolarHBondContact O-N 3.09Å; F302-A306 WeakPolarHBondContact O-CB 3.24Å; F302-A306 PolarHBondContact O-N 3.26Å; F302-F376 AromaticContact CE2-CD1 3.75Å; F302-F376 HydrophobicContact CE2-CD1 3.75Å; F302-F376 HydrophobicContact CE2-CE1 4.31Å; F302-F376 HydrophobicContact CE2-CG 4.4Å; F302-F376 HydrophobicContact CZ-CB 4.45Å; F302-F376 HydrophobicContact CZ-CD1 4.1Å; F302-Q382 HydrophobicContact CD1-CB 4.11Å; F302-Q382 HydrophobicContact CD2-CB 4Å; F302-Q382 HydrophobicContact CE1-CB 3.96Å; F302-Q382 HydrophobicContact CE1-CG 4.15Å; F302-Q382 HydrophobicContact CE2-CB 3.85Å; F302-Q382 HydrophobicContact CE2-CG 4.43Å; F302-Q382 HydrophobicContact CG-CB 4.14Å; F302-Q382 HydrophobicContact CZ-CB 3.84Å; F302-Q382 HydrophobicContact CZ-CG 4Å; F302-S384 WeakPolarHBondContact O-CB 2.96Å; F302-L387 HydrophobicContact CD2-CB 4.07Å; F302-L387 HydrophobicContact CD2-CD2 3.89Å; F302-L387 HydrophobicContact CE2-CB 4.08Å; F302-L387 HydrophobicContact CE2-CD2 3.82Å; F302-L387 HydrophobicContact CE2-CG 4.35Å; F302-Y898 HydrophobicContact CB-CD2 3.63Å; F302-Y898 HydrophobicContact CB-CE2 3.62Å; F302-Y898 HydrophobicContact CB-CG 4.21Å
303	M	95.7	Very high	93.4	Very high	4 Å²	4	11.5 Å²	11.5	2%	0.02	7%	0.071	C	C	.	.	H	α-helix	trans	-74.4	-42.9	176	-178	-168.6	76.3	0	0	111.3	T300 C301 A306 V307 P362 F365 K366 L387	T300-M303 WeakPolarHBondContact O-CA 3.4Å; T300-M303 WeakPolarHBondContact O-CB 3.49Å; T300-M303 PolarHBondContact O-N 3.44Å; C301-M303 VanDerWaalsContact C-N 3.26Å; C301-M303 PolarHBondContact O-N 2.73Å; M303-A306 PolarHBondContact O-N 3.08Å; M303-V307 HydrophobicContact CG-CG2 4.44Å; M303-V307 WeakPolarHBondContact O-CB 3.37Å; M303-V307 VanDerWaalsContact O-CG2 3.32Å; M303-V307 WeakPolarHBondContact O-CG2 3.45Å; M303-V307 PolarHBondContact O-N 3.38Å; M303-P362 HydrophobicContact CE-CB 4.14Å; M303-P362 HydrophobicContact CE-CG 3.58Å; M303-F365 HydrophobicContact CG-CD1 4.43Å; M303-F365 HydrophobicContact CG-CE1 4.14Å; M303-F365 HydrophobicContact SD-CD1 3.97Å; M303-F365 HydrophobicContact SD-CE1 4.22Å; M303-K366 HydrophobicContact CE-CB 4.16Å; M303-K366 HydrophobicContact SD-CB 4.02Å; M303-K366 HydrophobicContact SD-CG 4.29Å; M303-L387 HydrophobicContact CB-CD2 3.62Å; M303-L387 HydrophobicContact CG-CD2 3.74Å
304	N	96.9	Very high	93.3	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.021	8%	0.081	C	C	.	.	H	α-helix	trans	-62.7	-46.4	179.4	-64.2	-16.2	0	0	0	110.7	L294 S295 T300 C301 V307 Q308 D915	L294-N304 HydrophobicContact CB-CB 3.89Å; L294-N304 HydrophobicContact CD1-CB 4.17Å; L294-N304 PolarHBondContact O-ND2 3.09Å; S295-N304 PolarHBondContact O-ND2 2.9Å; T300-N304 PolarHBondContact O-N 3.49Å; C301-N304 PolarHBondContact O-N 3.14Å; N304-V307 PolarHBondContact O-N 3.21Å; N304-Q308 WeakPolarHBondContact O-CB 3.3Å; N304-Q308 VanDerWaalsContact O-CG 3.23Å; N304-Q308 WeakPolarHBondContact O-CG 3.44Å; N304-Q308 PolarHBondContact O-N 2.81Å; N304-D915 PolarHBondContact ND2-OD1 2.87Å
305	S	97.8	Very high	93.1	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-59.3	-46.9	175.1	178.9	0	0	0	0	112.8	C301 Q308 C309 S887 T899	C301-S305 WeakPolarHBondContact O-CB 3.34Å; C301-S305 PolarHBondContact O-N 2.92Å; S305-Q308 PolarHBondContact O-N 3.3Å; S305-C309 PolarHBondContact O-N 3.39Å; S305-C309 VanDerWaalsContact O-N 3.09Å; S305-C309 PolarHBondContact O-SG 3.29Å; S305-S887 WeakPolarHBondContact OG-CB 3.5Å; S305-S887 PolarHBondContact OG-OG 2.93Å; S305-T899 PolarHBondContact OG-O 3.22Å
306	A	97.4	Very high	93.2	Very high	3 Å²	3	13 Å²	13	3%	0.025	8%	0.079	C	C	.	.	H	α-helix	trans	-63.3	-43.4	178.7	0	0	0	0	0	112.6	F302 M303 C309 L310 L387	F302-A306 WeakPolarHBondContact O-CB 3.24Å; F302-A306 PolarHBondContact O-N 3.26Å; M303-A306 PolarHBondContact O-N 3.08Å; A306-C309 PolarHBondContact O-N 2.9Å; A306-L310 WeakPolarHBondContact O-CG 3.41Å; A306-L310 PolarHBondContact O-N 3.29Å; A306-L310 VanDerWaalsContact O-N 3.09Å; A306-L387 HydrophobicContact CB-CD2 4.21Å
307	V	97.9	Very high	93.5	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.006	6%	0.064	C	C	.	.	H	α-helix	trans	-66.3	-40.3	176.9	173.4	0	0	0	0	111.4	L294 M303 N304 C309 L310 S311 L348 L352 F365	L294-V307 HydrophobicContact CD1-CB 3.87Å; L294-V307 HydrophobicContact CD1-CG1 3.77Å; M303-V307 HydrophobicContact CG-CG2 4.44Å; M303-V307 WeakPolarHBondContact O-CB 3.37Å; M303-V307 VanDerWaalsContact O-CG2 3.32Å; M303-V307 WeakPolarHBondContact O-CG2 3.45Å; M303-V307 PolarHBondContact O-N 3.38Å; N304-V307 PolarHBondContact O-N 3.21Å; V307-C309 VanDerWaalsContact C-N 3.31Å; V307-C309 PolarHBondContact O-N 3.17Å; V307-L310 PolarHBondContact O-N 2.83Å; V307-S311 WeakPolarHBondContact O-CB 3.5Å; V307-S311 PolarHBondContact O-N 3.03Å; V307-L348 HydrophobicContact CG1-CD2 3.95Å; V307-L352 HydrophobicContact CG1-CD1 4.2Å; V307-F365 HydrophobicContact CG2-CD1 4.32Å; V307-F365 HydrophobicContact CG2-CE1 3.54Å; V307-F365 HydrophobicContact CG2-CZ 4.08Å
308	Q	98.1	Very high	94	Very high	3 Å²	3	9.7 Å²	9.7	1%	0.014	6%	0.061	C	C	.	.	H	α-helix	trans	-64.5	-35.8	177.4	-68.9	-67.6	13.2	0	0	112.6	C292 L294 N304 S305 N312 A900 F913	C292-Q308 PolarHBondContact O-NE2 3.37Å; L294-Q308 HydrophobicContact CD1-CG 4.17Å; N304-Q308 WeakPolarHBondContact O-CB 3.3Å; N304-Q308 VanDerWaalsContact O-CG 3.23Å; N304-Q308 WeakPolarHBondContact O-CG 3.44Å; N304-Q308 PolarHBondContact O-N 2.81Å; S305-Q308 PolarHBondContact O-N 3.3Å; Q308-N312 PolarHBondContact O-N 3.22Å; Q308-N312 PolarHBondContact O-ND2 3.01Å; Q308-A900 HydrophobicContact CB-CB 3.85Å; Q308-F913 HydrophobicContact CB-CB 4.27Å; Q308-F913 HydrophobicContact CB-CG 4.34Å; Q308-F913 VanDerWaalsContact CD-CD1 3.43Å; Q308-F913 HydrophobicContact CG-CB 3.83Å; Q308-F913 HydrophobicContact CG-CD1 4.14Å; Q308-F913 HydrophobicContact CG-CG 4.07Å
309	C	98.2	Very high	94.9	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-64.6	-50.2	173	-62.2	0	0	0	0	111.3	S305 A306 V307 S311 N312 A885 F935	S305-C309 PolarHBondContact O-N 3.39Å; S305-C309 VanDerWaalsContact O-N 3.09Å; S305-C309 PolarHBondContact O-SG 3.29Å; A306-C309 PolarHBondContact O-N 2.9Å; V307-C309 VanDerWaalsContact C-N 3.31Å; V307-C309 PolarHBondContact O-N 3.17Å; C309-S311 VanDerWaalsContact C-N 3.32Å; C309-S311 PolarHBondContact O-N 3.21Å; C309-N312 PolarHBondContact O-N 3.29Å; C309-A885 HydrophobicContact CB-CB 4Å; C309-F935 HydrophobicContact CB-CD1 4.49Å; C309-F935 HydrophobicContact CB-CD2 3.74Å; C309-F935 HydrophobicContact CB-CE1 4.11Å; C309-F935 HydrophobicContact CB-CE2 3.3Å; C309-F935 HydrophobicContact CB-CG 4.32Å; C309-F935 HydrophobicContact CB-CZ 3.5Å; C309-F935 VanDerWaalsContact CB-CZ 3.5Å
310	L	97.6	Very high	95.4	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-63.9	-34.9	178.7	-68.3	172.7	0	0	0	113.1	A306 V307 N312 I313 L316 Y345 L388 L391 L392 F441 F935	A306-L310 WeakPolarHBondContact O-CG 3.41Å; A306-L310 PolarHBondContact O-N 3.29Å; A306-L310 VanDerWaalsContact O-N 3.09Å; V307-L310 PolarHBondContact O-N 2.83Å; L310-N312 VanDerWaalsContact C-N 3.26Å; L310-N312 PolarHBondContact O-N 2.81Å; L310-I313 HydrophobicContact CD2-CD1 3.84Å; L310-I313 WeakPolarHBondContact O-CB 3.09Å; L310-I313 PolarHBondContact O-N 3.01Å; L310-L316 HydrophobicContact CB-CD2 4.45Å; L310-L316 HydrophobicContact CD2-CD2 4.28Å; L310-Y345 HydrophobicContact CB-CE2 4.43Å; L310-Y345 VanDerWaalsContact CB-OH 3.24Å; L310-Y345 WeakPolarHBondContact CB-OH 3.41Å; L310-Y345 HydrophobicContact CD1-CE2 4.35Å; L310-L388 HydrophobicContact CD1-CD1 3.89Å; L310-L388 HydrophobicContact CD2-CD1 3.79Å; L310-L388 HydrophobicContact CG-CD1 3.83Å; L310-L391 HydrophobicContact CD1-CB 4.39Å; L310-L391 HydrophobicContact CD1-CD1 4.22Å; L310-L392 HydrophobicContact CD2-CD2 4.23Å; L310-F441 HydrophobicContact CD2-CZ 4.12Å; L310-F935 HydrophobicContact CD2-CE1 4.2Å
311	S	97.4	Very high	95.6	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-63.5	-27.9	179.5	-178.4	0	0	0	0	113.3	V307 C309 T317 W353	V307-S311 WeakPolarHBondContact O-CB 3.5Å; V307-S311 PolarHBondContact O-N 3.03Å; C309-S311 VanDerWaalsContact C-N 3.32Å; C309-S311 PolarHBondContact O-N 3.21Å; S311-T317 PolarHBondContact O-OG1 2.69Å; S311-W353 VanDerWaalsContact O-CZ2 3.28Å; S311-W353 WeakPolarHBondContact O-CZ2 3.47Å; S311-W353 PolarHBondContact O-NE1 3.35Å; S311-W353 VanDerWaalsContact O-NE1 3.08Å; S311-W353 PolarHBondContact OG-NE1 2.64Å
312	N	95.9	Very high	95.6	Very high	6 Å²	6	11.7 Å²	11.7	3%	0.032	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	14.1	178.7	-70.3	-90.7	0	0	0	113.1	Q308 C309 L310 T314 A902	Q308-N312 PolarHBondContact O-N 3.22Å; Q308-N312 PolarHBondContact O-ND2 3.01Å; C309-N312 PolarHBondContact O-N 3.29Å; L310-N312 VanDerWaalsContact C-N 3.26Å; L310-N312 PolarHBondContact O-N 2.81Å; N312-T314 PolarHBondContact O-N 3.45Å; N312-A902 HydrophobicContact CB-CB 3.8Å; N312-A902 WeakPolarHBondContact ND2-CB 3.27Å
313	I	95.5	Very high	95.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.068	C	C	.	.			trans	-88.9	101.6	170.7	-60.1	172.4	0	0	0	108.2	L310 L316 T317 I440 F441 V836 I884 F935	L310-I313 HydrophobicContact CD2-CD1 3.84Å; L310-I313 WeakPolarHBondContact O-CB 3.09Å; L310-I313 PolarHBondContact O-N 3.01Å; I313-L316 HydrophobicContact CB-CB 4.17Å; I313-L316 HydrophobicContact CG2-CB 3.93Å; I313-L316 PolarHBondContact O-N 2.9Å; I313-T317 PolarHBondContact O-N 3.05Å; I313-I440 HydrophobicContact CG2-CG2 4.28Å; I313-F441 HydrophobicContact CD1-CE1 3.7Å; I313-F441 HydrophobicContact CD1-CZ 3.55Å; I313-F441 HydrophobicContact CG2-CZ 4.48Å; I313-V836 HydrophobicContact CD1-CG1 4.21Å; I313-V836 HydrophobicContact CG2-CG1 4.46Å; I313-V836 HydrophobicContact CG2-CG2 3.85Å; I313-I884 HydrophobicContact CG1-CD1 3.93Å; I313-F935 HydrophobicContact CD1-CD1 3.81Å; I313-F935 HydrophobicContact CD1-CE1 4.07Å
314	T	91.8	Very high	95.4	Very high	35 Å²	35	15.4 Å²	15.4	22%	0.215	8%	0.078	C	C	.	.	H	α-helix	trans	-50.6	-53.2	-170.4	-59.6	0	0	0	0	114	N312 L316 T317 E318 K905	N312-T314 PolarHBondContact O-N 3.45Å; T314-L316 VanDerWaalsContact C-N 3.32Å; T314-L316 PolarHBondContact O-N 3.02Å; T314-T317 PolarHBondContact O-N 3.17Å; T314-E318 HydrophobicContact CG2-CG 4.22Å; T314-E318 WeakPolarHBondContact CG2-OE1 3.06Å; T314-E318 WeakPolarHBondContact O-CB 3.21Å; T314-E318 WeakPolarHBondContact O-CG 3.37Å; T314-E318 PolarHBondContact O-N 3.14Å; T314-K905 HydrophobicContact CG2-CD 3.83Å
315	P	91.5	Very high	95.4	Very high	13 Å²	13	16.2 Å²	16.2	8%	0.084	8%	0.08	C	C	.	.	H	α-helix	trans	-65.1	-34.8	-176	-20.9	34.1	0	0	0	113.1	Y319 I440 F948	P315-Y319 WeakPolarHBondContact O-CB 3.38Å; P315-Y319 PolarHBondContact O-N 2.85Å; P315-I440 HydrophobicContact CB-CD1 3.84Å; P315-I440 HydrophobicContact CB-CG1 4.23Å; P315-F948 HydrophobicContact CB-CD2 4.05Å; P315-F948 HydrophobicContact CB-CE1 4.27Å; P315-F948 HydrophobicContact CB-CE2 3.78Å; P315-F948 HydrophobicContact CB-CG 4.41Å; P315-F948 HydrophobicContact CB-CZ 3.89Å; P315-F948 HydrophobicContact CG-CD2 3.99Å; P315-F948 HydrophobicContact CG-CE2 3.41Å; P315-F948 VanDerWaalsContact CG-CE2 3.41Å; P315-F948 HydrophobicContact CG-CZ 3.78Å
316	L	94.8	Very high	95.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-69.7	-45.3	177.9	-174.7	66.5	0	0	0	111	L310 I313 T314 F320 Y345 I436 I437 I440 F441	L310-L316 HydrophobicContact CB-CD2 4.45Å; L310-L316 HydrophobicContact CD2-CD2 4.28Å; I313-L316 HydrophobicContact CB-CB 4.17Å; I313-L316 HydrophobicContact CG2-CB 3.93Å; I313-L316 PolarHBondContact O-N 2.9Å; T314-L316 VanDerWaalsContact C-N 3.32Å; T314-L316 PolarHBondContact O-N 3.02Å; L316-F320 HydrophobicContact CD1-CD2 4.38Å; L316-F320 HydrophobicContact CD1-CE2 3.77Å; L316-F320 HydrophobicContact CG-CD2 4.35Å; L316-F320 HydrophobicContact CG-CE2 4.1Å; L316-F320 WeakPolarHBondContact O-CD2 3.43Å; L316-F320 PolarHBondContact O-N 2.92Å; L316-Y345 HydrophobicContact CD2-CE1 4.48Å; L316-I436 HydrophobicContact CD1-CG2 4.43Å; L316-I437 HydrophobicContact CD1-CD1 3.73Å; L316-I440 HydrophobicContact CB-CD1 3.81Å; L316-I440 HydrophobicContact CD1-CD1 4.2Å; L316-F441 HydrophobicContact CD2-CE2 4.17Å; L316-F441 HydrophobicContact CD2-CZ 4.14Å
317	T	95.3	Very high	95	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-68.2	-41.5	-179.8	-80.2	0	0	0	0	111.7	S311 I313 T314 F320 L321 I349 W353	S311-T317 PolarHBondContact O-OG1 2.69Å; I313-T317 PolarHBondContact O-N 3.05Å; T314-T317 PolarHBondContact O-N 3.17Å; T317-F320 PolarHBondContact O-N 3.42Å; T317-L321 HydrophobicContact CG2-CD1 3.59Å; T317-L321 HydrophobicContact CG2-CG 4.2Å; T317-L321 VanDerWaalsContact O-CG 3.3Å; T317-L321 WeakPolarHBondContact O-CG 3.47Å; T317-L321 PolarHBondContact O-N 2.67Å; T317-I349 HydrophobicContact CG2-CG2 3.98Å; T317-W353 HydrophobicContact CG2-CD2 3.98Å; T317-W353 HydrophobicContact CG2-CG 4.04Å; T317-W353 HydrophobicContact CG2-CZ2 4.46Å
318	E	92.5	Very high	94.8	Very high	21 Å²	21	31 Å²	31	10%	0.098	15%	0.147	C	C	.	.	H	α-helix	trans	-65.2	-40.4	178.5	-72	-177.1	-173.1	0	0	112.3	T314 F320 L321 K322 K905 K943	T314-E318 HydrophobicContact CG2-CG 4.22Å; T314-E318 WeakPolarHBondContact CG2-OE1 3.06Å; T314-E318 WeakPolarHBondContact O-CB 3.21Å; T314-E318 WeakPolarHBondContact O-CG 3.37Å; T314-E318 PolarHBondContact O-N 3.14Å; E318-F320 VanDerWaalsContact C-N 3.27Å; E318-F320 PolarHBondContact O-N 2.89Å; E318-L321 PolarHBondContact O-N 3.19Å; E318-L321 VanDerWaalsContact O-N 3.11Å; E318-K322 WeakPolarHBondContact O-CB 3.14Å; E318-K322 PolarHBondContact O-N 2.88Å; E318-K905 IonicContact OE1-NZ 3.6Å; E318-K905 PolarHBondContact OE1-NZ 2.89Å; E318-K943 IonicContact OE1-NZ 2.72Å; E318-K943 IonicContact OE2-NZ 3.62Å; E318-K943 PolarHBondContact OE2-NZ 2.78Å
319	Y	94.3	Very high	94.7	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-55.2	-37.4	171.1	169.6	-87.8	0	0	0	113.6	P315 K324 E328 L399 I436 L950	P315-Y319 WeakPolarHBondContact O-CB 3.38Å; P315-Y319 PolarHBondContact O-N 2.85Å; Y319-K324 HydrophobicContact CD2-CB 3.97Å; Y319-K324 HydrophobicContact CE2-CB 4.15Å; Y319-K324 PolarHBondContact O-N 2.86Å; Y319-E328 WeakPolarHBondContact CE2-OE2 3.36Å; Y319-E328 VanDerWaalsContact CZ-OE2 3.32Å; Y319-E328 PolarHBondContact OH-OE2 3.3Å; Y319-L399 HydrophobicContact CE1-CD1 3.85Å; Y319-I436 HydrophobicContact CD1-CB 4.44Å; Y319-I436 HydrophobicContact CD1-CG1 4.11Å; Y319-I436 HydrophobicContact CD1-CG2 4.11Å; Y319-I436 HydrophobicContact CD2-CB 4.07Å; Y319-I436 HydrophobicContact CD2-CD1 3.83Å; Y319-I436 HydrophobicContact CD2-CG1 3.72Å; Y319-I436 HydrophobicContact CE1-CB 4.19Å; Y319-I436 HydrophobicContact CE1-CG1 4.37Å; Y319-I436 HydrophobicContact CE1-CG2 3.64Å; Y319-I436 HydrophobicContact CE2-CB 3.78Å; Y319-I436 HydrophobicContact CE2-CD1 4.31Å; Y319-I436 HydrophobicContact CE2-CG1 3.99Å; Y319-I436 HydrophobicContact CE2-CG2 4.12Å; Y319-I436 HydrophobicContact CG-CB 4.37Å; Y319-I436 HydrophobicContact CG-CD1 4.18Å; Y319-I436 HydrophobicContact CG-CG1 3.77Å; Y319-L950 HydrophobicContact CD2-CD1 4.44Å
320	F	96.1	Very high	94.5	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-80.6	-29.3	175.4	-75.2	-65.1	0	0	0	113.8	L316 T317 E318 Y325 Y345 A346 I349 K350 L395 L399	L316-F320 HydrophobicContact CD1-CD2 4.38Å; L316-F320 HydrophobicContact CD1-CE2 3.77Å; L316-F320 HydrophobicContact CG-CD2 4.35Å; L316-F320 HydrophobicContact CG-CE2 4.1Å; L316-F320 WeakPolarHBondContact O-CD2 3.43Å; L316-F320 PolarHBondContact O-N 2.92Å; T317-F320 PolarHBondContact O-N 3.42Å; E318-F320 VanDerWaalsContact C-N 3.27Å; E318-F320 PolarHBondContact O-N 2.89Å; F320-Y325 AromaticContact CD1-CD1 3.6Å; F320-Y325 HydrophobicContact CD1-CD1 3.6Å; F320-Y325 HydrophobicContact CD1-CD2 4.32Å; F320-Y325 HydrophobicContact CD1-CE1 4.28Å; F320-Y325 AromaticContact CD1-CG 3.61Å; F320-Y325 HydrophobicContact CD1-CG 3.61Å; F320-Y325 HydrophobicContact CE1-CD1 4.27Å; F320-Y325 HydrophobicContact CE1-CD2 4.26Å; F320-Y325 AromaticContact CE1-CG 3.8Å; F320-Y325 HydrophobicContact CE1-CG 3.8Å; F320-Y345 AromaticContact CD2-CD1 3.78Å; F320-Y345 HydrophobicContact CD2-CD1 3.78Å; F320-Y345 AromaticContact CD2-CE1 3.58Å; F320-Y345 HydrophobicContact CD2-CE1 3.58Å; F320-Y345 HydrophobicContact CE1-CD1 4.3Å; F320-Y345 AromaticContact CE2-CD1 3.43Å; F320-Y345 HydrophobicContact CE2-CD1 3.43Å; F320-Y345 VanDerWaalsContact CE2-CD1 3.43Å; F320-Y345 AromaticContact CE2-CE1 3.39Å; F320-Y345 HydrophobicContact CE2-CE1 3.39Å; F320-Y345 HydrophobicContact CG-CD1 4.38Å; F320-Y345 HydrophobicContact CG-CE1 4.49Å; F320-Y345 AromaticContact CZ-CD1 3.72Å; F320-Y345 HydrophobicContact CZ-CD1 3.72Å; F320-Y345 HydrophobicContact CZ-CE1 4.16Å; F320-A346 HydrophobicContact CD1-CB 3.45Å; F320-A346 VanDerWaalsContact CD1-CB 3.45Å; F320-A346 HydrophobicContact CE1-CB 3.99Å; F320-A346 HydrophobicContact CG-CB 4.26Å; F320-I349 HydrophobicContact CB-CG2 4.28Å; F320-K350 WeakPolarHBondContact O-CE 3.38Å; F320-L395 HydrophobicContact CZ-CD2 4.23Å; F320-L399 HydrophobicContact CE1-CD1 4.18Å; F320-L399 HydrophobicContact CZ-CD1 3.8Å
321	L	94.6	Very high	94.4	Very high	62 Å²	62	37.1 Å²	37.1	33%	0.325	18%	0.176	S	C	.	.	H	α-helix	trans	-75.7	-44	177	-67.9	170.9	0	0	0	112	T317 E318 D323 I349 K350 W353	T317-L321 HydrophobicContact CG2-CD1 3.59Å; T317-L321 HydrophobicContact CG2-CG 4.2Å; T317-L321 VanDerWaalsContact O-CG 3.3Å; T317-L321 WeakPolarHBondContact O-CG 3.47Å; T317-L321 PolarHBondContact O-N 2.67Å; E318-L321 PolarHBondContact O-N 3.19Å; E318-L321 VanDerWaalsContact O-N 3.11Å; L321-D323 PolarHBondContact O-N 2.89Å; L321-D323 VanDerWaalsContact O-N 3.14Å; L321-I349 HydrophobicContact CG-CG2 4.49Å; L321-K350 HydrophobicContact CD2-CG 4.05Å; L321-W353 HydrophobicContact CD1-CB 4.02Å; L321-W353 HydrophobicContact CD1-CG 4.25Å; L321-W353 HydrophobicContact CD2-CB 3.93Å
322	K	93.8	Very high	94.1	Very high	77 Å²	77	44.3 Å²	44.3	34%	0.335	22%	0.215	S	C	.	.	S	Bend	trans	-70.5	5.8	171.2	-71.4	-157.2	177.8	-164.7	0	113.8	E318 K324 L950 E954 E957	E318-K322 WeakPolarHBondContact O-CB 3.14Å; E318-K322 PolarHBondContact O-N 2.88Å; K322-K324 HydrophobicContact CB-CG 4.48Å; K322-K324 PolarHBondContact O-N 3.06Å; K322-L950 HydrophobicContact CD-CD2 3.76Å; K322-E954 WeakPolarHBondContact CE-OE1 3.37Å; K322-E954 VanDerWaalsContact NZ-CD 3.29Å; K322-E954 IonicContact NZ-OE1 3.1Å; K322-E954 PolarHBondContact NZ-OE1 3.29Å; K322-E957 IonicContact NZ-OE2 3.41Å
323	D	94.3	Very high	93.9	Very high	41 Å²	41	44.5 Å²	44.5	22%	0.219	22%	0.216	C	C	.	.			trans	62.5	1.4	175.8	-101	-53.8	0	0	0	117.5	L321 Y325 R326 K350	L321-D323 PolarHBondContact O-N 2.89Å; L321-D323 VanDerWaalsContact O-N 3.14Å; D323-Y325 PolarHBondContact O-N 3.38Å; D323-Y325 WeakPolarHBondContact OD1-CE1 3.49Å; D323-Y325 PolarHBondContact OD1-OH 3.37Å; D323-R326 VanDerWaalsContact CG-CZ 3.46Å; D323-R326 VanDerWaalsContact CG-NE 3.26Å; D323-R326 WeakPolarHBondContact O-CB 3.42Å; D323-R326 WeakPolarHBondContact O-CG 3.45Å; D323-R326 PolarHBondContact O-N 2.77Å; D323-R326 IonicContact OD1-CZ 2.6Å; D323-R326 VanDerWaalsContact OD1-CZ 3.22Å; D323-R326 IonicContact OD1-NE 2.67Å; D323-R326 PolarHBondContact OD1-NE 3.37Å; D323-R326 IonicContact OD1-NH2 2.61Å; D323-R326 PolarHBondContact OD1-NH2 3.26Å; D323-R326 IonicContact OD2-CZ 3.66Å; D323-R326 IonicContact OD2-NE 2.8Å; D323-R326 IonicContact OD2-NH2 3.13Å; D323-R326 PolarHBondContact OD2-NH2 3.27Å; D323-K350 IonicContact OD1-NZ 2.82Å; D323-K350 PolarHBondContact OD1-NZ 3.4Å; D323-K350 IonicContact OD2-NZ 3.34Å; D323-K350 PolarHBondContact OD2-NZ 3.38Å
324	K	92.3	Very high	93.5	Very high	51 Å²	51	50.4 Å²	50.4	22%	0.222	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-29	-179.2	-70.5	-165.4	174.6	178.3	0	114.5	Y319 K322 R326 D327 L950 E953	Y319-K324 HydrophobicContact CD2-CB 3.97Å; Y319-K324 HydrophobicContact CE2-CB 4.15Å; Y319-K324 PolarHBondContact O-N 2.86Å; K322-K324 HydrophobicContact CB-CG 4.48Å; K322-K324 PolarHBondContact O-N 3.06Å; K324-R326 PolarHBondContact O-N 3.23Å; K324-D327 PolarHBondContact O-N 3.03Å; K324-L950 HydrophobicContact CD-CD2 3.88Å; K324-L950 HydrophobicContact CD-CG 4.18Å; K324-E953 WeakPolarHBondContact CE-OE2 3.44Å; K324-E953 IonicContact NZ-OE1 2.67Å; K324-E953 PolarHBondContact NZ-OE1 2.96Å; K324-E953 IonicContact NZ-OE2 3.12Å; K324-E953 PolarHBondContact NZ-OE2 3.21Å
325	Y	95.7	Very high	93.2	Very high	20 Å²	20	53.3 Å²	53.3	8%	0.078	27%	0.268	C	S	.	.	H	α-helix	trans	-53.4	-27.7	175	79.4	-87.3	0	0	0	114.2	F320 D323 D327 E328 L329 A346	F320-Y325 AromaticContact CD1-CD1 3.6Å; F320-Y325 HydrophobicContact CD1-CD1 3.6Å; F320-Y325 HydrophobicContact CD1-CD2 4.32Å; F320-Y325 HydrophobicContact CD1-CE1 4.28Å; F320-Y325 AromaticContact CD1-CG 3.61Å; F320-Y325 HydrophobicContact CD1-CG 3.61Å; F320-Y325 HydrophobicContact CE1-CD1 4.27Å; F320-Y325 HydrophobicContact CE1-CD2 4.26Å; F320-Y325 AromaticContact CE1-CG 3.8Å; F320-Y325 HydrophobicContact CE1-CG 3.8Å; D323-Y325 PolarHBondContact O-N 3.38Å; D323-Y325 WeakPolarHBondContact OD1-CE1 3.49Å; D323-Y325 PolarHBondContact OD1-OH 3.37Å; Y325-D327 VanDerWaalsContact C-N 3.32Å; Y325-D327 PolarHBondContact O-N 2.74Å; Y325-E328 PolarHBondContact O-N 3.22Å; Y325-L329 HydrophobicContact CD2-CD1 4.42Å; Y325-L329 HydrophobicContact CD2-CG 4.36Å; Y325-L329 HydrophobicContact CE2-CD1 4.49Å; Y325-L329 WeakPolarHBondContact O-CG 3.25Å; Y325-L329 PolarHBondContact O-N 3.26Å; Y325-L329 VanDerWaalsContact O-N 3.13Å; Y325-A346 HydrophobicContact CD1-CB 4.1Å; Y325-A346 HydrophobicContact CD2-CB 4.16Å; Y325-A346 HydrophobicContact CE1-CB 3.6Å; Y325-A346 HydrophobicContact CE2-CB 3.69Å; Y325-A346 HydrophobicContact CG-CB 4.35Å
326	R	94.4	Very high	92.9	Very high	140 Å²	140	53.6 Å²	53.6	53%	0.528	27%	0.273	S	S	.	.	H	α-helix	trans	-61.1	-38.5	-175.8	-69.7	-174.6	-169.4	-179.3	15.2	113.1	D323 K324	D323-R326 VanDerWaalsContact CG-CZ 3.46Å; D323-R326 VanDerWaalsContact CG-NE 3.26Å; D323-R326 WeakPolarHBondContact O-CB 3.42Å; D323-R326 WeakPolarHBondContact O-CG 3.45Å; D323-R326 PolarHBondContact O-N 2.77Å; D323-R326 IonicContact OD1-CZ 2.6Å; D323-R326 VanDerWaalsContact OD1-CZ 3.22Å; D323-R326 IonicContact OD1-NE 2.67Å; D323-R326 PolarHBondContact OD1-NE 3.37Å; D323-R326 IonicContact OD1-NH2 2.61Å; D323-R326 PolarHBondContact OD1-NH2 3.26Å; D323-R326 IonicContact OD2-CZ 3.66Å; D323-R326 IonicContact OD2-NE 2.8Å; D323-R326 IonicContact OD2-NH2 3.13Å; D323-R326 PolarHBondContact OD2-NH2 3.27Å; K324-R326 PolarHBondContact O-N 3.23Å
327	D	92.8	Very high	92.9	Very high	138 Å²	138	54.4 Å²	54.4	74%	0.738	28%	0.277	S	S	*	.	H	α-helix	trans	-84.1	-27.5	-175.3	-57.7	-62.9	0	0	0	111.6	K324 Y325 R403	K324-D327 PolarHBondContact O-N 3.03Å; Y325-D327 VanDerWaalsContact C-N 3.32Å; Y325-D327 PolarHBondContact O-N 2.74Å; D327-R403 PolarHBondContact O-NH2 3.39Å
328	E	94.4	Very high	92.7	Very high	39 Å²	39	60.6 Å²	60.6	18%	0.182	30%	0.304	C	S	.	.	H	α-helix	trans	-79.7	-16.1	174.3	-62.8	-166.7	161.2	0	0	113.9	Y319 Y325 N330 L399 R401 R403	Y319-E328 WeakPolarHBondContact CE2-OE2 3.36Å; Y319-E328 VanDerWaalsContact CZ-OE2 3.32Å; Y319-E328 PolarHBondContact OH-OE2 3.3Å; Y325-E328 PolarHBondContact O-N 3.22Å; E328-N330 PolarHBondContact O-N 2.84Å; E328-L399 HydrophobicContact CB-CD2 4.45Å; E328-R401 HydrophobicContact CG-CG 4.47Å; E328-R401 IonicContact OE1-CZ 3.74Å; E328-R401 VanDerWaalsContact OE1-CZ 3.29Å; E328-R401 IonicContact OE1-NE 3.83Å; E328-R401 PolarHBondContact OE1-NE 3.25Å; E328-R401 IonicContact OE1-NH2 2.7Å; E328-R401 PolarHBondContact OE1-NH2 2.74Å; E328-R401 IonicContact OE2-NE 2.7Å; E328-R401 IonicContact OE2-NH2 2.75Å; E328-R403 PolarHBondContact O-NH2 2.84Å
329	L	96.4	Very high	92.7	Very high	23 Å²	23	59.6 Å²	59.6	12%	0.12	30%	0.299	C	S	.	.			trans	-49.3	122.6	-180	-83.9	174.4	0	0	0	113.1	Y325 A342 R343 D398 L399 R403	Y325-L329 HydrophobicContact CD2-CD1 4.42Å; Y325-L329 HydrophobicContact CD2-CG 4.36Å; Y325-L329 HydrophobicContact CE2-CD1 4.49Å; Y325-L329 WeakPolarHBondContact O-CG 3.25Å; Y325-L329 PolarHBondContact O-N 3.26Å; Y325-L329 VanDerWaalsContact O-N 3.13Å; L329-A342 HydrophobicContact CD2-CB 3.87Å; L329-R343 HydrophobicContact CD1-CG 3.89Å; L329-R343 HydrophobicContact CD2-CG 4.21Å; L329-D398 WeakPolarHBondContact CA-O 3.21Å; L329-L399 HydrophobicContact CD2-CD2 4.04Å; L329-L399 HydrophobicContact CG-CD2 4.38Å; L329-R403 PolarHBondContact O-NH1 3.4Å; L329-R403 PolarHBondContact O-NH2 2.73Å
330	N	93.8	Very high	92.8	Very high	2 Å²	2	61 Å²	61	1%	0.011	31%	0.307	C	S	.	.			trans	-114	77.4	-175.6	-165.6	-0.7	0	0	0	112.7	E328 D332 N333 D398 N400	E328-N330 PolarHBondContact O-N 2.84Å; N330-D332 VanDerWaalsContact C-N 3.26Å; N330-D332 PolarHBondContact O-N 2.75Å; N330-N333 HydrophobicContact CB-CB 4.33Å; N330-N333 PolarHBondContact O-N 2.83Å; N330-D398 PolarHBondContact N-O 3.48Å; N330-N400 PolarHBondContact ND2-O 3.25Å
331	E	94.9	Very high	92.8	Very high	107 Å²	107	61 Å²	61	50%	0.5	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.8	-176.4	-53.5	-165.6	176.4	0	0	114.5	R343	E331-R343 IonicContact OE1-CZ 2.74Å; E331-R343 IonicContact OE1-NE 2.86Å; E331-R343 IonicContact OE1-NH2 2.67Å; E331-R343 PolarHBondContact OE1-NH2 3.36Å; E331-R343 IonicContact OE2-NH2 3.54Å
332	D	92	Very high	92.9	Very high	152 Å²	152	58.1 Å²	58.1	81%	0.813	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-3.8	-177.9	-74.6	-47.2	0	0	0	113.9	N330 P334	N330-D332 VanDerWaalsContact C-N 3.26Å; N330-D332 PolarHBondContact O-N 2.75Å; D332-P334 WeakPolarHBondContact O-CD 3.38Å
333	N	90.5	Very high	93.1	Very high	9 Å²	9	58.3 Å²	58.3	5%	0.048	29%	0.29	C	S	.	.			trans	-63.2	118.7	-177.3	-172.1	-8	0	0	0	111.1	N330 L335 G336 E397	N330-N333 HydrophobicContact CB-CB 4.33Å; N330-N333 PolarHBondContact O-N 2.83Å; N333-L335 PolarHBondContact O-N 2.73Å; N333-L335 VanDerWaalsContact O-N 3.08Å; N333-L335 PolarHBondContact OD1-N 2.89Å; N333-L335 VanDerWaalsContact OD1-N 3.08Å; N333-G336 PolarHBondContact O-N 3.26Å; N333-E397 PolarHBondContact ND2-O 3.49Å; N333-E397 PolarHBondContact ND2-OE2 2.88Å
334	P	86.9	Confident	93.2	Very high	124 Å²	124	57.1 Å²	57.1	81%	0.805	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-7.4	-179.7	29.4	-37.2	0	0	0	114.3	D332	D332-P334 WeakPolarHBondContact O-CD 3.38Å
335	L	86.3	Confident	93.5	Very high	97 Å²	97	54.7 Å²	54.7	51%	0.508	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-12.3	173.5	-59.5	176	0	0	0	112.9	N333 E397 K405	N333-L335 PolarHBondContact O-N 2.73Å; N333-L335 VanDerWaalsContact O-N 3.08Å; N333-L335 PolarHBondContact OD1-N 2.89Å; N333-L335 VanDerWaalsContact OD1-N 3.08Å; L335-E397 HydrophobicContact CB-CG 4.07Å; L335-E397 WeakPolarHBondContact CB-OE1 3.44Å; L335-E397 WeakPolarHBondContact CD1-OE1 3.17Å; L335-K405 HydrophobicContact CD1-CD 4.24Å
336	G	85.3	Confident	93.6	Very high	19 Å²	19	53.8 Å²	53.8	20%	0.196	27%	0.271	C	S	.	.	S	Bend	trans	-88.7	177.8	-177.9	0	0	0	0	0	114.3	N333	N333-G336 PolarHBondContact O-N 3.26Å
337	M	93.4	Very high	93.8	Very high	17 Å²	17	51.9 Å²	51.9	8%	0.084	27%	0.268	C	S	.	.			trans	-102.9	26.5	-179.8	-59.8	83.7	-168.3	0	0	111.5	G339 E340 I341 F372 F390 G394 D398	M337-G339 VanDerWaalsContact C-N 3.29Å; M337-G339 PolarHBondContact O-N 3.41Å; M337-E340 VanDerWaalsContact O-CB 3.23Å; M337-E340 WeakPolarHBondContact O-CB 3.25Å; M337-E340 WeakPolarHBondContact O-CG 3.46Å; M337-E340 PolarHBondContact O-N 2.98Å; M337-I341 HydrophobicContact CB-CB 4.37Å; M337-I341 HydrophobicContact CB-CG1 3.71Å; M337-I341 HydrophobicContact CG-CG1 3.71Å; M337-I341 HydrophobicContact SD-CG1 4.19Å; M337-F372 HydrophobicContact CB-CD1 3.81Å; M337-F372 HydrophobicContact CB-CD2 3.93Å; M337-F372 HydrophobicContact CB-CE1 3.78Å; M337-F372 HydrophobicContact CB-CE2 3.93Å; M337-F372 HydrophobicContact CB-CG 3.89Å; M337-F372 HydrophobicContact CB-CZ 3.84Å; M337-F372 HydrophobicContact CG-CB 3.92Å; M337-F372 HydrophobicContact CG-CD1 3.65Å; M337-F372 HydrophobicContact CG-CD2 4.07Å; M337-F372 HydrophobicContact CG-CE1 4.15Å; M337-F372 HydrophobicContact CG-CG 3.6Å; M337-F372 WeakPolarHBondContact O-CZ 3.38Å; M337-F390 HydrophobicContact CE-CE2 3.93Å; M337-F390 HydrophobicContact CE-CZ 4.5Å; M337-G394 WeakPolarHBondContact SD-CA 3.44Å; M337-D398 VanDerWaalsContact C-OD1 3.22Å; M337-D398 VanDerWaalsContact CA-OD1 3.26Å; M337-D398 WeakPolarHBondContact CA-OD1 3.2Å; M337-D398 PolarHBondContact N-OD1 2.76Å
338	K	92.4	Very high	94	Very high	129 Å²	129	45.6 Å²	45.6	56%	0.561	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	34.1	-177.5	-50	-176.1	178.1	-170.9	0	113.9	E340 R343 D398	K338-E340 HydrophobicContact CB-CG 4.46Å; K338-E340 PolarHBondContact O-N 3.38Å; K338-R343 PolarHBondContact O-NH1 2.85Å; K338-R343 PolarHBondContact O-NH2 2.92Å; K338-D398 PolarHBondContact N-OD1 3.26Å
339	G	92.6	Very high	94.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	1.7	-173.9	0	0	0	0	0	114	M337 R343 D398	M337-G339 VanDerWaalsContact C-N 3.29Å; M337-G339 PolarHBondContact O-N 3.41Å; G339-R343 VanDerWaalsContact O-CB 3.31Å; G339-R343 WeakPolarHBondContact O-CB 3.37Å; G339-R343 VanDerWaalsContact O-CG 3.23Å; G339-R343 WeakPolarHBondContact O-CG 3.41Å; G339-R343 PolarHBondContact O-N 3.03Å; G339-R343 PolarHBondContact O-NH1 2.95Å; G339-D398 WeakPolarHBondContact CA-OD1 3.33Å; G339-D398 WeakPolarHBondContact CA-OD2 3.48Å; G339-D398 PolarHBondContact N-OD1 2.8Å; G339-D398 PolarHBondContact N-OD2 3.42Å
340	E	95.1	Very high	94.2	Very high	35 Å²	35	45 Å²	45	16%	0.164	23%	0.231	C	C	.	.	H	α-helix	trans	-75.5	-27.3	-170.8	-65.1	-164.5	-138.3	0	0	113.3	M337 K338 R343 A344 Q368 R371 F372 D398	M337-E340 VanDerWaalsContact O-CB 3.23Å; M337-E340 WeakPolarHBondContact O-CB 3.25Å; M337-E340 WeakPolarHBondContact O-CG 3.46Å; M337-E340 PolarHBondContact O-N 2.98Å; K338-E340 HydrophobicContact CB-CG 4.46Å; K338-E340 PolarHBondContact O-N 3.38Å; E340-R343 VanDerWaalsContact N-NH1 3.19Å; E340-A344 WeakPolarHBondContact O-CB 3.36Å; E340-A344 PolarHBondContact O-N 2.86Å; E340-Q368 PolarHBondContact OE2-NE2 3.26Å; E340-Q368 VanDerWaalsContact OE2-NE2 3.12Å; E340-Q368 PolarHBondContact OE2-OE1 2.93Å; E340-R371 IonicContact OE1-CZ 2.66Å; E340-R371 IonicContact OE1-NH1 3.71Å; E340-R371 PolarHBondContact OE1-NH1 2.66Å; E340-R371 IonicContact OE1-NH2 3.11Å; E340-R371 PolarHBondContact OE1-NH2 3.38Å; E340-R371 IonicContact OE2-CZ 3.3Å; E340-R371 IonicContact OE2-NH1 2.57Å; E340-R371 PolarHBondContact OE2-NH1 2.65Å; E340-R371 IonicContact OE2-NH2 2.67Å; E340-R371 PolarHBondContact OE2-NH2 2.91Å; E340-F372 HydrophobicContact CB-CE2 3.78Å; E340-F372 HydrophobicContact CB-CZ 4.09Å; E340-F372 HydrophobicContact CG-CE2 4.49Å; E340-F372 HydrophobicContact CG-CZ 4.39Å; E340-D398 PolarHBondContact N-OD2 2.82Å; E340-D398 VanDerWaalsContact N-OD2 3.15Å
341	I	96.3	Very high	94.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-76.3	-47.3	172.1	-65.5	-66.8	0	0	0	109	M337 R343 A344 Y345 Q368 V369 F372 F390 L391 L395 D398	M337-I341 HydrophobicContact CB-CB 4.37Å; M337-I341 HydrophobicContact CB-CG1 3.71Å; M337-I341 HydrophobicContact CG-CG1 3.71Å; M337-I341 HydrophobicContact SD-CG1 4.19Å; I341-R343 PolarHBondContact O-N 2.9Å; I341-A344 PolarHBondContact O-N 3.36Å; I341-Y345 WeakPolarHBondContact O-CB 3.47Å; I341-Y345 PolarHBondContact O-N 3.28Å; I341-Q368 HydrophobicContact CD1-CB 4.01Å; I341-V369 HydrophobicContact CD1-CG2 4.32Å; I341-F372 HydrophobicContact CD1-CD2 4.1Å; I341-F372 HydrophobicContact CG1-CD2 4.2Å; I341-F390 HydrophobicContact CD1-CE1 4.32Å; I341-F390 HydrophobicContact CD1-CZ 4.25Å; I341-L391 HydrophobicContact CG2-CD2 4.36Å; I341-L395 HydrophobicContact CG2-CD2 4.13Å; I341-L395 HydrophobicContact CG2-CG 4.43Å; I341-D398 WeakPolarHBondContact CA-OD2 3.23Å; I341-D398 WeakPolarHBondContact CB-OD2 3.44Å; I341-D398 PolarHBondContact N-OD2 3.02Å
342	A	97.5	Very high	94.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.9	-47.1	177.9	0	0	0	0	0	112.9	L329 A344 Y345 A346 L395 D398 L399	L329-A342 HydrophobicContact CD2-CB 3.87Å; A342-A344 PolarHBondContact O-N 3.44Å; A342-Y345 PolarHBondContact O-N 3.25Å; A342-A346 WeakPolarHBondContact O-CB 3.45Å; A342-A346 PolarHBondContact O-N 2.89Å; A342-L395 HydrophobicContact CB-CD2 4.11Å; A342-D398 HydrophobicContact CB-CB 3.65Å; A342-D398 PolarHBondContact N-OD2 3.23Å; A342-L399 HydrophobicContact CB-CD1 4.3Å; A342-L399 HydrophobicContact CB-CD2 3.95Å; A342-L399 HydrophobicContact CB-CG 3.98Å
343	R	97.6	Very high	94.5	Very high	82 Å²	82	36.1 Å²	36.1	31%	0.309	18%	0.184	S	C	.	.	H	α-helix	trans	-62.1	-39.9	176.1	-70.6	-174.1	-135.4	88.2	-11.7	112.5	L329 E331 K338 G339 E340 I341 E347	L329-R343 HydrophobicContact CD1-CG 3.89Å; L329-R343 HydrophobicContact CD2-CG 4.21Å; E331-R343 IonicContact OE1-CZ 2.74Å; E331-R343 IonicContact OE1-NE 2.86Å; E331-R343 IonicContact OE1-NH2 2.67Å; E331-R343 PolarHBondContact OE1-NH2 3.36Å; E331-R343 IonicContact OE2-NH2 3.54Å; K338-R343 PolarHBondContact O-NH1 2.85Å; K338-R343 PolarHBondContact O-NH2 2.92Å; G339-R343 VanDerWaalsContact O-CB 3.31Å; G339-R343 WeakPolarHBondContact O-CB 3.37Å; G339-R343 VanDerWaalsContact O-CG 3.23Å; G339-R343 WeakPolarHBondContact O-CG 3.41Å; G339-R343 PolarHBondContact O-N 3.03Å; G339-R343 PolarHBondContact O-NH1 2.95Å; E340-R343 VanDerWaalsContact N-NH1 3.19Å; I341-R343 PolarHBondContact O-N 2.9Å; R343-E347 PolarHBondContact O-N 3.24Å
344	A	97.4	Very high	94.7	Very high	16 Å²	16	37.4 Å²	37.4	13%	0.132	19%	0.193	C	C	.	.	H	α-helix	trans	-73.6	-31	179.7	0	0	0	0	0	113.2	E340 I341 A342 L348 F365 Q368	E340-A344 WeakPolarHBondContact O-CB 3.36Å; E340-A344 PolarHBondContact O-N 2.86Å; I341-A344 PolarHBondContact O-N 3.36Å; A342-A344 PolarHBondContact O-N 3.44Å; A344-L348 PolarHBondContact O-N 2.87Å; A344-F365 HydrophobicContact CB-CD2 4.21Å; A344-Q368 HydrophobicContact CB-CB 4.44Å; A344-Q368 HydrophobicContact CB-CG 4.03Å
345	Y	98.2	Very high	94.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-70.8	-47.9	172.8	-176.7	-99.4	0	0	0	111.3	L310 L316 F320 I341 A342 E347 L348 I349 F365 L395	L310-Y345 HydrophobicContact CB-CE2 4.43Å; L310-Y345 VanDerWaalsContact CB-OH 3.24Å; L310-Y345 WeakPolarHBondContact CB-OH 3.41Å; L310-Y345 HydrophobicContact CD1-CE2 4.35Å; L316-Y345 HydrophobicContact CD2-CE1 4.48Å; F320-Y345 AromaticContact CD2-CD1 3.78Å; F320-Y345 HydrophobicContact CD2-CD1 3.78Å; F320-Y345 AromaticContact CD2-CE1 3.58Å; F320-Y345 HydrophobicContact CD2-CE1 3.58Å; F320-Y345 HydrophobicContact CE1-CD1 4.3Å; F320-Y345 AromaticContact CE2-CD1 3.43Å; F320-Y345 HydrophobicContact CE2-CD1 3.43Å; F320-Y345 VanDerWaalsContact CE2-CD1 3.43Å; F320-Y345 AromaticContact CE2-CE1 3.39Å; F320-Y345 HydrophobicContact CE2-CE1 3.39Å; F320-Y345 HydrophobicContact CG-CD1 4.38Å; F320-Y345 HydrophobicContact CG-CE1 4.49Å; F320-Y345 AromaticContact CZ-CD1 3.72Å; F320-Y345 HydrophobicContact CZ-CD1 3.72Å; F320-Y345 HydrophobicContact CZ-CE1 4.16Å; I341-Y345 WeakPolarHBondContact O-CB 3.47Å; I341-Y345 PolarHBondContact O-N 3.28Å; A342-Y345 PolarHBondContact O-N 3.25Å; Y345-E347 VanDerWaalsContact C-N 3.34Å; Y345-E347 PolarHBondContact O-N 2.9Å; Y345-L348 WeakPolarHBondContact O-CB 3.4Å; Y345-L348 PolarHBondContact O-N 3.48Å; Y345-I349 HydrophobicContact CD1-CG1 3.92Å; Y345-I349 HydrophobicContact CE1-CD1 4.09Å; Y345-I349 HydrophobicContact CE1-CG1 3.45Å; Y345-I349 VanDerWaalsContact CE1-CG1 3.45Å; Y345-I349 HydrophobicContact CE2-CD1 4.08Å; Y345-I349 HydrophobicContact CE2-CG1 4.14Å; Y345-I349 HydrophobicContact CG-CG1 4.43Å; Y345-I349 PolarHBondContact O-N 2.73Å; Y345-F365 AromaticContact CD2-CE2 3.95Å; Y345-F365 HydrophobicContact CD2-CE2 3.95Å; Y345-F365 HydrophobicContact CD2-CZ 4.14Å; Y345-F365 HydrophobicContact CG-CE2 4.48Å; Y345-L395 HydrophobicContact CD1-CD1 4.11Å; Y345-L395 HydrophobicContact CD1-CD2 4.17Å; Y345-L395 HydrophobicContact CD2-CD1 4.45Å; Y345-L395 HydrophobicContact CE1-CD1 4.24Å; Y345-L395 HydrophobicContact CG-CD1 4.22Å; Y345-L395 HydrophobicContact CG-CD2 4.12Å
346	A	97.8	Very high	95	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56.1	-45.6	179	0	0	0	0	0	112.8	F320 Y325 A342 L348 I349 K350	F320-A346 HydrophobicContact CD1-CB 3.45Å; F320-A346 VanDerWaalsContact CD1-CB 3.45Å; F320-A346 HydrophobicContact CE1-CB 3.99Å; F320-A346 HydrophobicContact CG-CB 4.26Å; Y325-A346 HydrophobicContact CD1-CB 4.1Å; Y325-A346 HydrophobicContact CD2-CB 4.16Å; Y325-A346 HydrophobicContact CE1-CB 3.6Å; Y325-A346 HydrophobicContact CE2-CB 3.69Å; Y325-A346 HydrophobicContact CG-CB 4.35Å; A342-A346 WeakPolarHBondContact O-CB 3.45Å; A342-A346 PolarHBondContact O-N 2.89Å; A346-L348 VanDerWaalsContact C-N 3.33Å; A346-L348 PolarHBondContact O-N 3.39Å; A346-I349 PolarHBondContact O-N 2.78Å; A346-K350 WeakPolarHBondContact O-CG 3.48Å; A346-K350 PolarHBondContact O-N 2.89Å
347	E	97.4	Very high	95.2	Very high	100 Å²	100	39.4 Å²	39.4	47%	0.467	18%	0.181	S	C	.	.	H	α-helix	trans	-61.4	-39.6	175.4	179.6	58	-150.6	0	0	111.9	R343 Y345 Q351	R343-E347 PolarHBondContact O-N 3.24Å; Y345-E347 VanDerWaalsContact C-N 3.34Å; Y345-E347 PolarHBondContact O-N 2.9Å; E347-Q351 WeakPolarHBondContact O-CG 3.17Å; E347-Q351 PolarHBondContact O-N 3.44Å; E347-Q351 VanDerWaalsContact O-N 3.11Å; E347-Q351 PolarHBondContact OE1-NE2 2.76Å
348	L	97.6	Very high	94.9	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.037	20%	0.195	C	C	.	.	H	α-helix	trans	-68.5	-43.4	177.6	-175.1	58.6	0	0	0	112.1	L294 V307 A344 Y345 A346 Q351 L352 V360 P362 F365	L294-L348 HydrophobicContact CD2-CD1 3.99Å; V307-L348 HydrophobicContact CG1-CD2 3.95Å; A344-L348 PolarHBondContact O-N 2.87Å; Y345-L348 WeakPolarHBondContact O-CB 3.4Å; Y345-L348 PolarHBondContact O-N 3.48Å; A346-L348 VanDerWaalsContact C-N 3.33Å; A346-L348 PolarHBondContact O-N 3.39Å; L348-Q351 PolarHBondContact O-N 3.11Å; L348-L352 HydrophobicContact CG-CD1 4.32Å; L348-L352 WeakPolarHBondContact O-CG 3.49Å; L348-L352 PolarHBondContact O-N 3.25Å; L348-V360 HydrophobicContact CD1-CG2 3.82Å; L348-P362 HydrophobicContact CD1-CB 4.08Å; L348-P362 HydrophobicContact CD2-CB 3.93Å; L348-F365 HydrophobicContact CD2-CB 4.02Å; L348-F365 HydrophobicContact CD2-CD1 3.97Å; L348-F365 HydrophobicContact CD2-CG 3.93Å
349	I	97.8	Very high	95	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.7	-45.2	175.3	-67.4	-52.1	0	0	0	110.9	T317 F320 L321 Y345 A346 Q351 L352 W353	T317-I349 HydrophobicContact CG2-CG2 3.98Å; F320-I349 HydrophobicContact CB-CG2 4.28Å; L321-I349 HydrophobicContact CG-CG2 4.49Å; Y345-I349 HydrophobicContact CD1-CG1 3.92Å; Y345-I349 HydrophobicContact CE1-CD1 4.09Å; Y345-I349 HydrophobicContact CE1-CG1 3.45Å; Y345-I349 VanDerWaalsContact CE1-CG1 3.45Å; Y345-I349 HydrophobicContact CE2-CD1 4.08Å; Y345-I349 HydrophobicContact CE2-CG1 4.14Å; Y345-I349 HydrophobicContact CG-CG1 4.43Å; Y345-I349 PolarHBondContact O-N 2.73Å; A346-I349 PolarHBondContact O-N 2.78Å; I349-Q351 VanDerWaalsContact C-N 3.27Å; I349-Q351 PolarHBondContact O-N 2.9Å; I349-L352 HydrophobicContact CD1-CD1 4.27Å; I349-L352 PolarHBondContact O-N 3.39Å; I349-W353 PolarHBondContact O-N 3.13Å
350	K	97.2	Very high	95	Very high	48 Å²	48	41.5 Å²	41.5	21%	0.209	20%	0.195	C	C	.	.	H	α-helix	trans	-60	-35.9	175.6	-73.5	177.5	-172.8	-174.6	0	113	F320 L321 D323 A346 S354	F320-K350 WeakPolarHBondContact O-CE 3.38Å; L321-K350 HydrophobicContact CD2-CG 4.05Å; D323-K350 IonicContact OD1-NZ 2.82Å; D323-K350 PolarHBondContact OD1-NZ 3.4Å; D323-K350 IonicContact OD2-NZ 3.34Å; D323-K350 PolarHBondContact OD2-NZ 3.38Å; A346-K350 WeakPolarHBondContact O-CG 3.48Å; A346-K350 PolarHBondContact O-N 2.89Å; K350-S354 VanDerWaalsContact O-CB 3.27Å; K350-S354 WeakPolarHBondContact O-CB 3.36Å; K350-S354 PolarHBondContact O-N 3.04Å
351	Q	96.1	Very high	94.9	Very high	59 Å²	59	42.6 Å²	42.6	28%	0.276	20%	0.203	S	C	.	.	H	α-helix	trans	-68.5	-46.8	174.6	-71.4	175.1	22.9	0	0	111.8	E347 L348 I349 W353 S354 V360	E347-Q351 WeakPolarHBondContact O-CG 3.17Å; E347-Q351 PolarHBondContact O-N 3.44Å; E347-Q351 VanDerWaalsContact O-N 3.11Å; E347-Q351 PolarHBondContact OE1-NE2 2.76Å; L348-Q351 PolarHBondContact O-N 3.11Å; I349-Q351 VanDerWaalsContact C-N 3.27Å; I349-Q351 PolarHBondContact O-N 2.9Å; Q351-W353 VanDerWaalsContact C-N 3.34Å; Q351-W353 PolarHBondContact O-N 2.79Å; Q351-S354 WeakPolarHBondContact O-CB 3.25Å; Q351-S354 PolarHBondContact O-N 2.81Å; Q351-S354 PolarHBondContact O-OG 2.93Å; Q351-V360 HydrophobicContact CB-CG1 4.26Å
352	L	95.7	Very high	94.8	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-61.5	-37.5	178.3	-68.9	173.2	0	0	0	113.1	G290 C292 L294 V307 L348 I349 V360	G290-L352 PolarHBondContact N-O 3.07Å; G290-L352 VanDerWaalsContact N-O 3.15Å; C292-L352 HydrophobicContact CB-CB 4.35Å; C292-L352 HydrophobicContact CB-CD2 3.68Å; C292-L352 WeakPolarHBondContact CB-O 3.22Å; C292-L352 WeakPolarHBondContact O-CD2 3.44Å; L294-L352 HydrophobicContact CD2-CD1 4.5Å; L294-L352 HydrophobicContact CD2-CD2 3.88Å; L294-L352 HydrophobicContact CG-CD2 4.27Å; V307-L352 HydrophobicContact CG1-CD1 4.2Å; L348-L352 HydrophobicContact CG-CD1 4.32Å; L348-L352 WeakPolarHBondContact O-CG 3.49Å; L348-L352 PolarHBondContact O-N 3.25Å; I349-L352 HydrophobicContact CD1-CD1 4.27Å; I349-L352 PolarHBondContact O-N 3.39Å; L352-V360 HydrophobicContact CD2-CG2 3.86Å; L352-V360 HydrophobicContact CG-CG2 4.43Å
353	W	96.1	Very high	94.3	Very high	15 Å²	15	48.1 Å²	48.1	6%	0.057	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	8.9	-179.1	-70.4	85.9	0	0	0	114	S289 S311 T317 L321 I349 Q351 G355 K905 E906	S289-W353 WeakPolarHBondContact CB-O 3.32Å; S289-W353 PolarHBondContact OG-O 3.17Å; S311-W353 VanDerWaalsContact O-CZ2 3.28Å; S311-W353 WeakPolarHBondContact O-CZ2 3.47Å; S311-W353 PolarHBondContact O-NE1 3.35Å; S311-W353 VanDerWaalsContact O-NE1 3.08Å; S311-W353 PolarHBondContact OG-NE1 2.64Å; T317-W353 HydrophobicContact CG2-CD2 3.98Å; T317-W353 HydrophobicContact CG2-CG 4.04Å; T317-W353 HydrophobicContact CG2-CZ2 4.46Å; L321-W353 HydrophobicContact CD1-CB 4.02Å; L321-W353 HydrophobicContact CD1-CG 4.25Å; L321-W353 HydrophobicContact CD2-CB 3.93Å; I349-W353 PolarHBondContact O-N 3.13Å; Q351-W353 VanDerWaalsContact C-N 3.34Å; Q351-W353 PolarHBondContact O-N 2.79Å; W353-G355 PolarHBondContact O-N 2.89Å; W353-K905 HydrophobicContact CH2-CD 4.28Å; W353-K905 HydrophobicContact CH2-CG 3.86Å; W353-K905 HydrophobicContact CZ3-CD 4.17Å; W353-K905 HydrophobicContact CZ3-CG 3.85Å; W353-E906 HydrophobicContact CZ3-CG 4.07Å; W353-E906 WeakPolarHBondContact CZ3-OE1 3.47Å
354	S	93.3	Very high	94	Very high	35 Å²	35	48.6 Å²	48.6	25%	0.245	24%	0.238	C	C	.	.	S	Bend	trans	-76.9	-15.7	-178.1	66.6	0	0	0	0	116	K350 Q351 K356	K350-S354 VanDerWaalsContact O-CB 3.27Å; K350-S354 WeakPolarHBondContact O-CB 3.36Å; K350-S354 PolarHBondContact O-N 3.04Å; Q351-S354 WeakPolarHBondContact O-CB 3.25Å; Q351-S354 PolarHBondContact O-N 2.81Å; Q351-S354 PolarHBondContact O-OG 2.93Å; S354-K356 PolarHBondContact O-N 3.49Å; S354-K356 PolarHBondContact OG-N 2.87Å
355	G	90.9	Very high	93.8	Very high	11 Å²	11	47.9 Å²	47.9	11%	0.113	23%	0.232	C	C	.	.	S	Bend	trans	66.6	9	-171.8	0	0	0	0	0	115.4	E287 W353	E287-G355 WeakPolarHBondContact O-CA 3.37Å; E287-G355 VanDerWaalsContact O-O 3.13Å; W353-G355 PolarHBondContact O-N 2.89Å
356	K	90.2	Very high	93.4	Very high	154 Å²	154	49.3 Å²	49.3	67%	0.67	24%	0.238	S	C	*	.	S	Bend	trans	-102.9	-6.3	-172.8	-66.7	163.8	-167.3	167.3	0	114.8	S354	S354-K356 PolarHBondContact O-N 3.49Å; S354-K356 PolarHBondContact OG-N 2.87Å
357	Y	89.5	Confident	93	Very high	118 Å²	118	53.5 Å²	53.5	46%	0.463	26%	0.264	S	S	.	.			trans	-145.2	130.7	-172.4	-50.2	-71.6	0	0	0	111	E287 C292 Y359 V360	E287-Y357 VanDerWaalsContact OE2-CA 3.28Å; E287-Y357 WeakPolarHBondContact OE2-CA 3.37Å; E287-Y357 PolarHBondContact OE2-N 2.81Å; C292-Y357 WeakPolarHBondContact CB-O 3.46Å; C292-Y357 PolarHBondContact SG-O 3.15Å; Y357-Y359 VanDerWaalsContact C-N 3.32Å; Y357-V360 HydrophobicContact CD2-CG1 3.81Å; Y357-V360 HydrophobicContact CG-CG1 3.83Å
358	S	87.3	Confident	92.7	Very high	55 Å²	55	50.8 Å²	50.8	39%	0.385	25%	0.252	S	S	.	.	S	Bend	trans	-73.6	-23.8	167.2	16.4	0	0	0	0	112.6	E287 C292 G293	E287-S358 VanDerWaalsContact CD-N 3.35Å; E287-S358 WeakPolarHBondContact OE1-CB 3.46Å; E287-S358 PolarHBondContact OE1-N 3.01Å; E287-S358 PolarHBondContact OE1-OG 2.68Å; E287-S358 PolarHBondContact OE2-N 3.09Å; C292-S358 CarbonylContact C-O 3.53Å; C292-S358 WeakPolarHBondContact CA-O 3.37Å; G293-S358 PolarHBondContact N-O 2.8Å
359	Y	93.1	Very high	92.3	Very high	125 Å²	125	50.6 Å²	50.6	49%	0.49	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	152.6	169.9	69.6	-81.1	0	0	0	111.8	C292 G293 S295 Y357	C292-Y359 VanDerWaalsContact SG-CA 3.57Å; G293-Y359 CarbonylContact O-C 3.53Å; G293-Y359 VanDerWaalsContact O-CA 3.25Å; G293-Y359 WeakPolarHBondContact O-CA 3.3Å; S295-Y359 WeakPolarHBondContact OG-CD2 3.48Å; Y357-Y359 VanDerWaalsContact C-N 3.32Å
360	V	92.1	Very high	91.8	Very high	10 Å²	10	51.1 Å²	51.1	6%	0.061	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	164.5	172.2	-61	0	0	0	0	111.7	G293 L294 S295 L348 Q351 L352 Y357	G293-V360 PolarHBondContact O-N 2.83Å; L294-V360 WeakPolarHBondContact CA-O 3.23Å; L294-V360 HydrophobicContact CD2-CG2 3.73Å; S295-V360 PolarHBondContact N-O 3.25Å; S295-V360 PolarHBondContact OG-O 3.2Å; L348-V360 HydrophobicContact CD1-CG2 3.82Å; Q351-V360 HydrophobicContact CB-CG1 4.26Å; L352-V360 HydrophobicContact CD2-CG2 3.86Å; L352-V360 HydrophobicContact CG-CG2 4.43Å; Y357-V360 HydrophobicContact CD2-CG1 3.81Å; Y357-V360 HydrophobicContact CG-CG1 3.83Å
361	T	94.4	Very high	91.1	Very high	57 Å²	57	52 Å²	52	35%	0.35	26%	0.258	S	S	.	.			trans	-114.5	102.3	-175.5	-56.8	0	0	0	0	109.5	S295 L297 R363	S295-T361 WeakPolarHBondContact CB-OG1 3.38Å; S295-T361 PolarHBondContact OG-OG1 2.68Å; L297-T361 HydrophobicContact CD2-CG2 3.76Å; T361-R363 HydrophobicContact CG2-CG 4.02Å; T361-R363 PolarHBondContact O-N 2.89Å
362	P	93	Very high	90.6	Very high	3 Å²	3	52 Å²	52	2%	0.019	26%	0.257	C	S	.	.			trans	-76.9	43.9	-165.4	32.2	-38.5	0	0	0	114.7	L294 L297 M303 L348 F365 K366	L294-P362 HydrophobicContact CB-CG 4.49Å; L294-P362 HydrophobicContact CD2-CB 4.21Å; L294-P362 HydrophobicContact CD2-CG 4.09Å; L297-P362 HydrophobicContact CD1-CG 4.41Å; M303-P362 HydrophobicContact CE-CB 4.14Å; M303-P362 HydrophobicContact CE-CG 3.58Å; L348-P362 HydrophobicContact CD1-CB 4.08Å; L348-P362 HydrophobicContact CD2-CB 3.93Å; P362-F365 HydrophobicContact CB-CB 4.43Å; P362-F365 PolarHBondContact O-N 2.86Å; P362-K366 WeakPolarHBondContact O-CB 3.32Å; P362-K366 PolarHBondContact O-N 2.61Å
363	R	87.6	Confident	90.1	Very high	114 Å²	114	52 Å²	52	43%	0.43	26%	0.258	S	S	.	.	H	α-helix	trans	-58.2	-47.9	-179.5	-73.1	174.4	-173.7	-106.8	1.5	113.5	L297 T361 F365 K366 T367	L297-R363 HydrophobicContact CD1-CG 3.9Å; L297-R363 HydrophobicContact CD2-CG 3.86Å; T361-R363 HydrophobicContact CG2-CG 4.02Å; T361-R363 PolarHBondContact O-N 2.89Å; R363-F365 VanDerWaalsContact C-N 3.32Å; R363-F365 PolarHBondContact O-N 3.18Å; R363-K366 PolarHBondContact O-N 3.46Å; R363-T367 WeakPolarHBondContact O-CB 3.46Å; R363-T367 PolarHBondContact O-N 3Å; R363-T367 PolarHBondContact O-OG1 2.89Å; R363-T367 VanDerWaalsContact O-OG1 3.07Å
364	P	90.5	Very high	89.5	Confident	91 Å²	91	55.2 Å²	55.2	59%	0.591	28%	0.281	S	S	*	.	H	α-helix	trans	-60.5	-43.5	-179.8	-22.5	34.4	0	0	0	111.7	T367 Q368	P364-T367 PolarHBondContact O-N 3.44Å; P364-Q368 PolarHBondContact O-N 2.78Å; P364-Q368 VanDerWaalsContact O-N 3.07Å
365	F	93.8	Very high	88.8	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.009	29%	0.291	C	S	.	.	H	α-helix	trans	-64.4	-50.1	177.8	-174.5	-107.6	0	0	0	112.1	M303 V307 A344 Y345 L348 P362 R363 T367 Q368 V369 L391	M303-F365 HydrophobicContact CG-CD1 4.43Å; M303-F365 HydrophobicContact CG-CE1 4.14Å; M303-F365 HydrophobicContact SD-CD1 3.97Å; M303-F365 HydrophobicContact SD-CE1 4.22Å; V307-F365 HydrophobicContact CG2-CD1 4.32Å; V307-F365 HydrophobicContact CG2-CE1 3.54Å; V307-F365 HydrophobicContact CG2-CZ 4.08Å; A344-F365 HydrophobicContact CB-CD2 4.21Å; Y345-F365 AromaticContact CD2-CE2 3.95Å; Y345-F365 HydrophobicContact CD2-CE2 3.95Å; Y345-F365 HydrophobicContact CD2-CZ 4.14Å; Y345-F365 HydrophobicContact CG-CE2 4.48Å; L348-F365 HydrophobicContact CD2-CB 4.02Å; L348-F365 HydrophobicContact CD2-CD1 3.97Å; L348-F365 HydrophobicContact CD2-CG 3.93Å; P362-F365 HydrophobicContact CB-CB 4.43Å; P362-F365 PolarHBondContact O-N 2.86Å; R363-F365 VanDerWaalsContact C-N 3.32Å; R363-F365 PolarHBondContact O-N 3.18Å; F365-T367 PolarHBondContact O-N 3.2Å; F365-Q368 PolarHBondContact O-N 2.83Å; F365-Q368 VanDerWaalsContact O-N 3.12Å; F365-V369 HydrophobicContact CD1-CG2 4.14Å; F365-V369 HydrophobicContact CD2-CG2 4.41Å; F365-V369 HydrophobicContact CE1-CG2 3.85Å; F365-V369 HydrophobicContact CE2-CG2 4.12Å; F365-V369 HydrophobicContact CG-CG2 4.42Å; F365-V369 HydrophobicContact CZ-CG2 3.85Å; F365-V369 WeakPolarHBondContact O-CG2 3.23Å; F365-V369 PolarHBondContact O-N 2.99Å; F365-L391 HydrophobicContact CE1-CD1 4.4Å; F365-L391 HydrophobicContact CE1-CD2 4.48Å; F365-L391 HydrophobicContact CE2-CD2 4.21Å; F365-L391 HydrophobicContact CZ-CD1 3.93Å; F365-L391 HydrophobicContact CZ-CD2 3.59Å; F365-L391 HydrophobicContact CZ-CG 4.44Å
366	K	90.8	Very high	88.6	Confident	29 Å²	29	58.2 Å²	58.2	13%	0.126	29%	0.288	C	S	.	.	H	α-helix	trans	-56.2	-37.4	175.2	-173	-94	152.1	71.9	0	112	L297 M303 P362 R363 G370 S377 G378	L297-K366 HydrophobicContact CD1-CB 3.96Å; L297-K366 HydrophobicContact CD1-CG 4.31Å; M303-K366 HydrophobicContact CE-CB 4.16Å; M303-K366 HydrophobicContact SD-CB 4.02Å; M303-K366 HydrophobicContact SD-CG 4.29Å; P362-K366 WeakPolarHBondContact O-CB 3.32Å; P362-K366 PolarHBondContact O-N 2.61Å; R363-K366 PolarHBondContact O-N 3.46Å; K366-G370 PolarHBondContact O-N 3.38Å; K366-S377 VanDerWaalsContact CE-O 3.22Å; K366-S377 WeakPolarHBondContact CE-O 3.25Å; K366-S377 PolarHBondContact NZ-O 3.03Å; K366-G378 PolarHBondContact NZ-O 2.98Å
367	T	88.5	Confident	87.8	Confident	89 Å²	89	53.7 Å²	53.7	55%	0.546	28%	0.276	S	S	.	.	H	α-helix	trans	-66.2	-46.3	176.8	-65.1	0	0	0	0	111.7	R363 P364 F365 R371	R363-T367 WeakPolarHBondContact O-CB 3.46Å; R363-T367 PolarHBondContact O-N 3Å; R363-T367 PolarHBondContact O-OG1 2.89Å; R363-T367 VanDerWaalsContact O-OG1 3.07Å; P364-T367 PolarHBondContact O-N 3.44Å; F365-T367 PolarHBondContact O-N 3.2Å; T367-R371 WeakPolarHBondContact O-CB 3.38Å; T367-R371 PolarHBondContact O-N 3.33Å
368	Q	90.3	Very high	87	Confident	43 Å²	43	49.7 Å²	49.7	20%	0.201	27%	0.27	C	S	.	.	H	α-helix	trans	-69.6	-40.2	177.6	-55.9	-61.8	20.2	0	0	112.4	E340 I341 A344 P364 F365 G370 R371 F372	E340-Q368 PolarHBondContact OE2-NE2 3.26Å; E340-Q368 VanDerWaalsContact OE2-NE2 3.12Å; E340-Q368 PolarHBondContact OE2-OE1 2.93Å; I341-Q368 HydrophobicContact CD1-CB 4.01Å; A344-Q368 HydrophobicContact CB-CB 4.44Å; A344-Q368 HydrophobicContact CB-CG 4.03Å; P364-Q368 PolarHBondContact O-N 2.78Å; P364-Q368 VanDerWaalsContact O-N 3.07Å; F365-Q368 PolarHBondContact O-N 2.83Å; F365-Q368 VanDerWaalsContact O-N 3.12Å; Q368-G370 PolarHBondContact O-N 3.28Å; Q368-R371 WeakPolarHBondContact O-CB 3.33Å; Q368-R371 PolarHBondContact O-N 3.42Å; Q368-R371 VanDerWaalsContact O-N 3.13Å; Q368-F372 VanDerWaalsContact O-CD2 3.32Å; Q368-F372 WeakPolarHBondContact O-CD2 3.31Å; Q368-F372 PolarHBondContact O-N 3.21Å; Q368-F372 VanDerWaalsContact O-N 3.09Å
369	V	91	Very high	86.1	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-57.2	-51.2	173.4	170.7	0	0	0	0	110.6	I341 F365 R371 F372 A373 F376 L387 F390 L391	I341-V369 HydrophobicContact CD1-CG2 4.32Å; F365-V369 HydrophobicContact CD1-CG2 4.14Å; F365-V369 HydrophobicContact CD2-CG2 4.41Å; F365-V369 HydrophobicContact CE1-CG2 3.85Å; F365-V369 HydrophobicContact CE2-CG2 4.12Å; F365-V369 HydrophobicContact CG-CG2 4.42Å; F365-V369 HydrophobicContact CZ-CG2 3.85Å; F365-V369 WeakPolarHBondContact O-CG2 3.23Å; F365-V369 PolarHBondContact O-N 2.99Å; V369-R371 PolarHBondContact O-N 3.31Å; V369-F372 PolarHBondContact O-N 3.2Å; V369-A373 WeakPolarHBondContact O-CA 3.2Å; V369-A373 PolarHBondContact O-N 2.79Å; V369-F376 HydrophobicContact CG1-CB 3.85Å; V369-F376 HydrophobicContact CG1-CD2 3.9Å; V369-F376 HydrophobicContact CG1-CG 4.23Å; V369-L387 HydrophobicContact CG1-CD1 3.61Å; V369-F390 HydrophobicContact CG1-CE1 4.13Å; V369-F390 HydrophobicContact CG2-CE1 4.4Å; V369-L391 HydrophobicContact CG2-CD2 4.08Å
370	G	85.8	Confident	85	Confident	11 Å²	11	53.3 Å²	53.3	11%	0.113	28%	0.282	C	S	.	.	H	α-helix	trans	-67.8	-18.6	177.5	0	0	0	0	0	114.8	K366 Q368 P374	K366-G370 PolarHBondContact O-N 3.38Å; Q368-G370 PolarHBondContact O-N 3.28Å; G370-P374 WeakPolarHBondContact O-CA 3.39Å
371	R	83	Confident	84	Confident	65 Å²	65	56 Å²	56	25%	0.245	29%	0.294	C	S	.	.	H	α-helix	trans	-77.8	-44.8	177.4	179.8	-167.9	166.4	176.7	-20.5	112.1	F123 E340 T367 Q368 V369	F123-R371 HydrophobicContact CD2-CG 4.24Å; F123-R371 HydrophobicContact CE2-CB 4.37Å; F123-R371 HydrophobicContact CE2-CG 3.19Å; F123-R371 HydrophobicContact CZ-CG 3.39Å; E340-R371 IonicContact OE1-CZ 2.66Å; E340-R371 IonicContact OE1-NH1 3.71Å; E340-R371 PolarHBondContact OE1-NH1 2.66Å; E340-R371 IonicContact OE1-NH2 3.11Å; E340-R371 PolarHBondContact OE1-NH2 3.38Å; E340-R371 IonicContact OE2-CZ 3.3Å; E340-R371 IonicContact OE2-NH1 2.57Å; E340-R371 PolarHBondContact OE2-NH1 2.65Å; E340-R371 IonicContact OE2-NH2 2.67Å; E340-R371 PolarHBondContact OE2-NH2 2.91Å; T367-R371 WeakPolarHBondContact O-CB 3.38Å; T367-R371 PolarHBondContact O-N 3.33Å; Q368-R371 WeakPolarHBondContact O-CB 3.33Å; Q368-R371 PolarHBondContact O-N 3.42Å; Q368-R371 VanDerWaalsContact O-N 3.13Å; V369-R371 PolarHBondContact O-N 3.31Å
372	F	84.7	Confident	83.6	Confident	59 Å²	59	55.5 Å²	55.5	26%	0.259	29%	0.287	S	S	.	.	H	α-helix	trans	-90.9	-29	-178.8	-68.5	-78.1	0	0	0	113	M337 E340 I341 Q368 V369 F390	M337-F372 HydrophobicContact CB-CD1 3.81Å; M337-F372 HydrophobicContact CB-CD2 3.93Å; M337-F372 HydrophobicContact CB-CE1 3.78Å; M337-F372 HydrophobicContact CB-CE2 3.93Å; M337-F372 HydrophobicContact CB-CG 3.89Å; M337-F372 HydrophobicContact CB-CZ 3.84Å; M337-F372 HydrophobicContact CG-CB 3.92Å; M337-F372 HydrophobicContact CG-CD1 3.65Å; M337-F372 HydrophobicContact CG-CD2 4.07Å; M337-F372 HydrophobicContact CG-CE1 4.15Å; M337-F372 HydrophobicContact CG-CG 3.6Å; M337-F372 WeakPolarHBondContact O-CZ 3.38Å; E340-F372 HydrophobicContact CB-CE2 3.78Å; E340-F372 HydrophobicContact CB-CZ 4.09Å; E340-F372 HydrophobicContact CG-CE2 4.49Å; E340-F372 HydrophobicContact CG-CZ 4.39Å; I341-F372 HydrophobicContact CD1-CD2 4.1Å; I341-F372 HydrophobicContact CG1-CD2 4.2Å; Q368-F372 VanDerWaalsContact O-CD2 3.32Å; Q368-F372 WeakPolarHBondContact O-CD2 3.31Å; Q368-F372 PolarHBondContact O-N 3.21Å; Q368-F372 VanDerWaalsContact O-N 3.09Å; V369-F372 PolarHBondContact O-N 3.2Å; F372-F390 HydrophobicContact CB-CE2 4.49Å; F372-F390 HydrophobicContact CB-CZ 4.1Å
373	A	86.8	Confident	83.4	Confident	3 Å²	3	56 Å²	56	3%	0.025	29%	0.29	C	S	.	.			trans	-122.6	83.2	174	0	0	0	0	0	110.9	V369 Q375 F376 F390	V369-A373 WeakPolarHBondContact O-CA 3.2Å; V369-A373 PolarHBondContact O-N 2.79Å; A373-Q375 PolarHBondContact O-N 3.25Å; A373-F376 HydrophobicContact CB-CD2 3.51Å; A373-F376 HydrophobicContact CB-CE2 3.82Å; A373-F376 PolarHBondContact O-N 3.08Å; A373-F390 HydrophobicContact CB-CD1 4.2Å; A373-F390 HydrophobicContact CB-CD2 3.82Å; A373-F390 HydrophobicContact CB-CE1 3.97Å; A373-F390 HydrophobicContact CB-CE2 3.57Å; A373-F390 HydrophobicContact CB-CG 4.13Å; A373-F390 HydrophobicContact CB-CZ 3.65Å
374	P	82.4	Confident	83.6	Confident	83 Å²	83	50.7 Å²	50.7	54%	0.539	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-58.3	-19.3	-174	-27.7	37	0	0	0	115.7	G370 F376 S377	G370-P374 WeakPolarHBondContact O-CA 3.39Å; P374-F376 PolarHBondContact O-N 2.97Å; P374-S377 VanDerWaalsContact O-CB 3.28Å; P374-S377 WeakPolarHBondContact O-CB 3.42Å; P374-S377 PolarHBondContact O-N 2.93Å; P374-S377 VanDerWaalsContact O-N 3.1Å; P374-S377 PolarHBondContact O-OG 2.79Å
375	Q	79.3	Confident	83.7	Confident	100 Å²	100	47.1 Å²	47.1	47%	0.467	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-58.4	-33.4	171.4	65.4	-83.5	23.6	0	0	112.5	A373 Q382	A373-Q375 PolarHBondContact O-N 3.25Å; Q375-Q382 PolarHBondContact O-NE2 3.42Å
376	F	85.8	Confident	83.6	Confident	8 Å²	8	51.3 Å²	51.3	4%	0.035	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-89.5	2.6	177.8	-50.3	-54.1	0	0	0	113.5	F302 V369 A373 P374 Q382 E386 L387 F390	F302-F376 AromaticContact CE2-CD1 3.75Å; F302-F376 HydrophobicContact CE2-CD1 3.75Å; F302-F376 HydrophobicContact CE2-CE1 4.31Å; F302-F376 HydrophobicContact CE2-CG 4.4Å; F302-F376 HydrophobicContact CZ-CB 4.45Å; F302-F376 HydrophobicContact CZ-CD1 4.1Å; V369-F376 HydrophobicContact CG1-CB 3.85Å; V369-F376 HydrophobicContact CG1-CD2 3.9Å; V369-F376 HydrophobicContact CG1-CG 4.23Å; A373-F376 HydrophobicContact CB-CD2 3.51Å; A373-F376 HydrophobicContact CB-CE2 3.82Å; A373-F376 PolarHBondContact O-N 3.08Å; P374-F376 PolarHBondContact O-N 2.97Å; F376-Q382 HydrophobicContact CD1-CB 4.2Å; F376-Q382 HydrophobicContact CD1-CG 4.11Å; F376-Q382 HydrophobicContact CE1-CB 4.35Å; F376-E386 HydrophobicContact CE1-CB 4.44Å; F376-E386 HydrophobicContact CZ-CB 4.23Å; F376-L387 HydrophobicContact CD1-CD1 4.44Å; F376-L387 HydrophobicContact CD2-CD1 3.7Å; F376-L387 HydrophobicContact CE1-CB 4.11Å; F376-L387 HydrophobicContact CE2-CB 4.43Å; F376-L387 HydrophobicContact CE2-CD1 3.81Å; F376-L387 HydrophobicContact CG-CD1 4.06Å; F376-L387 HydrophobicContact CZ-CB 4.02Å; F376-L387 HydrophobicContact CZ-CD1 4.24Å; F376-F390 HydrophobicContact CD2-CD1 4.38Å; F376-F390 HydrophobicContact CE2-CB 3.99Å; F376-F390 HydrophobicContact CE2-CD1 4.1Å; F376-F390 HydrophobicContact CE2-CG 4.06Å
377	S	74.1	Confident	83.8	Confident	60 Å²	60	49.9 Å²	49.9	42%	0.42	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-37.5	-179.5	67.4	0	0	0	0	113.2	K366 P374	K366-S377 VanDerWaalsContact CE-O 3.22Å; K366-S377 WeakPolarHBondContact CE-O 3.25Å; K366-S377 PolarHBondContact NZ-O 3.03Å; P374-S377 VanDerWaalsContact O-CB 3.28Å; P374-S377 WeakPolarHBondContact O-CB 3.42Å; P374-S377 PolarHBondContact O-N 2.93Å; P374-S377 VanDerWaalsContact O-N 3.1Å; P374-S377 PolarHBondContact O-OG 2.79Å
378	G	72.4	Confident	84.1	Confident	34 Å²	34	45.9 Å²	45.9	35%	0.351	23%	0.234	S	C	.	.	S	Bend	trans	-74	-168.9	-173.8	0	0	0	0	0	115.4	K366	K366-G378 PolarHBondContact NZ-O 2.98Å
379	Y	69.1	Low	84.3	Confident	106 Å²	106	44.8 Å²	44.8	42%	0.416	23%	0.233	S	C	.	.	S	Bend	trans	-113.8	22.1	176.4	-52.2	-75.1	0	0	0	112.1	Y204 L297 N299	Y204-Y379 HydrophobicContact CD1-CE2 4.13Å; Y204-Y379 HydrophobicContact CE1-CE2 4.13Å; Y204-Y379 HydrophobicContact CG-CE2 4.49Å; L297-Y379 WeakPolarHBondContact O-CE1 3.1Å; N299-Y379 WeakPolarHBondContact CB-O 3.38Å; N299-Y379 PolarHBondContact ND2-O 2.71Å
380	Q	70.3	Confident	84.5	Confident	150 Å²	150	46 Å²	46	70%	0.701	24%	0.238	S	C	*	.	S	Bend	trans	-82	152.1	169.4	-65.1	-177.3	5.5	0	0	109.1
381	Q	71.5	Confident	85	Confident	66 Å²	66	45.5 Å²	45.5	31%	0.308	23%	0.233	S	C	.	.			trans	-71.9	137	172.6	-62.8	-169	-17	0	0	109.9	N299 G896	N299-Q381 HydrophobicContact CB-CG 3.9Å; N299-Q381 WeakPolarHBondContact OD1-CG 3.36Å; N299-Q381 PolarHBondContact OD1-NE2 2.92Å; Q381-G896 PolarHBondContact NE2-O 3.31Å; Q381-G896 PolarHBondContact OE1-O 3.39Å
382	Q	85.8	Confident	85.6	Confident	46 Å²	46	42.5 Å²	42.5	22%	0.215	22%	0.221	C	C	.	.			trans	-126	172.7	-177.1	-58.5	-65.4	14.4	0	0	110.9	F302 Q375 F376 Y898	F302-Q382 HydrophobicContact CD1-CB 4.11Å; F302-Q382 HydrophobicContact CD2-CB 4Å; F302-Q382 HydrophobicContact CE1-CB 3.96Å; F302-Q382 HydrophobicContact CE1-CG 4.15Å; F302-Q382 HydrophobicContact CE2-CB 3.85Å; F302-Q382 HydrophobicContact CE2-CG 4.43Å; F302-Q382 HydrophobicContact CG-CB 4.14Å; F302-Q382 HydrophobicContact CZ-CB 3.84Å; F302-Q382 HydrophobicContact CZ-CG 4Å; Q375-Q382 PolarHBondContact O-NE2 3.42Å; F376-Q382 HydrophobicContact CD1-CB 4.2Å; F376-Q382 HydrophobicContact CD1-CG 4.11Å; F376-Q382 HydrophobicContact CE1-CB 4.35Å; Q382-Y898 WeakPolarHBondContact O-CE2 3.47Å; Q382-Y898 PolarHBondContact O-OH 3.39Å
383	D	88.3	Confident	86.1	Confident	14 Å²	14	44 Å²	44	8%	0.075	23%	0.232	C	C	.	.			trans	-82.5	126.3	176.2	-167.1	-30.8	0	0	0	110.6	H385 E386 L387 Y898 Y932	D383-H385 PolarHBondContact O-N 3.25Å; D383-H385 VanDerWaalsContact OD1-CB 3.3Å; D383-H385 WeakPolarHBondContact OD1-CB 3.47Å; D383-H385 PolarHBondContact OD1-N 3.5Å; D383-E386 HydrophobicContact CB-CB 4.03Å; D383-E386 HydrophobicContact CB-CG 3.84Å; D383-E386 PolarHBondContact O-N 3.13Å; D383-L387 PolarHBondContact O-N 3.45Å; D383-Y898 WeakPolarHBondContact CA-OH 3.5Å; D383-Y932 WeakPolarHBondContact OD1-CE1 3.45Å; D383-Y932 PolarHBondContact OD1-OH 3.27Å; D383-Y932 PolarHBondContact OD2-OH 3.1Å
384	S	91.8	Very high	86.5	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.014	23%	0.231	C	C	.	.	H	α-helix	trans	-66.3	-28	176.2	67.1	0	0	0	0	112.5	F302 L388 S887 Y898	F302-S384 WeakPolarHBondContact O-CB 2.96Å; S384-L388 VanDerWaalsContact O-CB 3.29Å; S384-L388 WeakPolarHBondContact O-CB 3.34Å; S384-L388 PolarHBondContact O-N 3.19Å; S384-S887 PolarHBondContact OG-OG 3.08Å; S384-Y898 VanDerWaalsContact OG-CE1 3.29Å; S384-Y898 WeakPolarHBondContact OG-CE1 3.48Å
385	H	92.6	Very high	87.2	Confident	17 Å²	17	40 Å²	40	8%	0.079	21%	0.205	C	C	.	.	H	α-helix	trans	-74.1	-39	175.9	170.4	-95.4	0	0	0	112.2	D383 L387 L388 A389 Y466 T468 H840 Y932 V933	D383-H385 PolarHBondContact O-N 3.25Å; D383-H385 VanDerWaalsContact OD1-CB 3.3Å; D383-H385 WeakPolarHBondContact OD1-CB 3.47Å; D383-H385 PolarHBondContact OD1-N 3.5Å; H385-L387 VanDerWaalsContact C-N 3.3Å; H385-L387 PolarHBondContact O-N 2.92Å; H385-L388 PolarHBondContact O-N 2.87Å; H385-A389 WeakPolarHBondContact O-CB 3.45Å; H385-A389 PolarHBondContact O-N 3.04Å; H385-Y466 AromaticContact CE1-CE2 3.65Å; H385-Y466 AromaticContact NE2-CD2 3.38Å; H385-Y466 WeakPolarHBondContact NE2-CD2 3.4Å; H385-Y466 AromaticContact NE2-CE2 3.17Å; H385-Y466 WeakPolarHBondContact NE2-CE2 3.27Å; H385-Y466 AromaticContact NE2-CZ 3.75Å; H385-T468 PolarHBondContact NE2-OG1 2.96Å; H385-H840 WeakPolarHBondContact CD2-CB 3.47Å; H385-H840 AromaticContact CD2-CG 3.37Å; H385-H840 AromaticContact CD2-ND1 3.28Å; H385-H840 PolarHBondContact CD2-ND1 2.89Å; H385-H840 VanDerWaalsContact CD2-ND1 3.28Å; H385-H840 AromaticContact CE1-CE1 3.84Å; H385-H840 AromaticContact CE1-ND1 3.31Å; H385-H840 PolarHBondContact CE1-ND1 3Å; H385-H840 VanDerWaalsContact CE1-ND1 3.31Å; H385-H840 AromaticContact CG-CE1 3.7Å; H385-H840 AromaticContact CG-CG 3.63Å; H385-H840 AromaticContact CG-ND1 3.36Å; H385-H840 AromaticContact ND1-CE1 3.55Å; H385-H840 AromaticContact ND1-ND1 3.38Å; H385-H840 PolarHBondContact ND1-ND1 2.67Å; H385-H840 AromaticContact NE2-CG 3.72Å; H385-H840 AromaticContact NE2-ND1 3.2Å; H385-H840 PolarHBondContact NE2-ND1 3.41Å; H385-Y932 HydrophobicContact CB-CE1 4.31Å; H385-V933 HydrophobicContact CB-CG2 4.16Å
386	E	92.4	Very high	88.1	Confident	89 Å²	89	35.6 Å²	35.6	42%	0.416	19%	0.185	S	C	.	.	H	α-helix	trans	-62.3	-39.6	173.6	-72.7	-173.3	166.6	0	0	111.5	F376 D383 F390	F376-E386 HydrophobicContact CE1-CB 4.44Å; F376-E386 HydrophobicContact CZ-CB 4.23Å; D383-E386 HydrophobicContact CB-CB 4.03Å; D383-E386 HydrophobicContact CB-CG 3.84Å; D383-E386 PolarHBondContact O-N 3.13Å; E386-F390 PolarHBondContact O-N 2.98Å
387	L	94.2	Very high	88.6	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.6	-45.2	172.6	178.8	72.6	0	0	0	111.7	F302 M303 A306 V369 F376 D383 H385 A389 F390 L391	F302-L387 HydrophobicContact CD2-CB 4.07Å; F302-L387 HydrophobicContact CD2-CD2 3.89Å; F302-L387 HydrophobicContact CE2-CB 4.08Å; F302-L387 HydrophobicContact CE2-CD2 3.82Å; F302-L387 HydrophobicContact CE2-CG 4.35Å; M303-L387 HydrophobicContact CB-CD2 3.62Å; M303-L387 HydrophobicContact CG-CD2 3.74Å; A306-L387 HydrophobicContact CB-CD2 4.21Å; V369-L387 HydrophobicContact CG1-CD1 3.61Å; F376-L387 HydrophobicContact CD1-CD1 4.44Å; F376-L387 HydrophobicContact CD2-CD1 3.7Å; F376-L387 HydrophobicContact CE1-CB 4.11Å; F376-L387 HydrophobicContact CE2-CB 4.43Å; F376-L387 HydrophobicContact CE2-CD1 3.81Å; F376-L387 HydrophobicContact CG-CD1 4.06Å; F376-L387 HydrophobicContact CZ-CB 4.02Å; F376-L387 HydrophobicContact CZ-CD1 4.24Å; D383-L387 PolarHBondContact O-N 3.45Å; H385-L387 VanDerWaalsContact C-N 3.3Å; H385-L387 PolarHBondContact O-N 2.92Å; L387-A389 VanDerWaalsContact C-N 3.3Å; L387-A389 PolarHBondContact O-N 3.25Å; L387-F390 HydrophobicContact CD1-CD1 4.15Å; L387-F390 CarbonylContact O-C 3.53Å; L387-F390 WeakPolarHBondContact O-CB 3.46Å; L387-F390 PolarHBondContact O-N 3.33Å; L387-F390 VanDerWaalsContact O-N 3.13Å; L387-L391 HydrophobicContact CD1-CD1 4.34Å; L387-L391 HydrophobicContact CD1-CG 4.16Å; L387-L391 HydrophobicContact CD2-CD1 4.21Å; L387-L391 HydrophobicContact CG-CD1 3.96Å; L387-L391 HydrophobicContact CG-CG 4.14Å; L387-L391 WeakPolarHBondContact O-CG 3.17Å; L387-L391 PolarHBondContact O-N 2.73Å
388	L	95.1	Very high	89.7	Confident	4 Å²	4	32.9 Å²	32.9	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-58.3	-43.1	180	-178.4	64.9	0	0	0	111.5	L310 S384 H385 L391 L392 V838 V933 F935	L310-L388 HydrophobicContact CD1-CD1 3.89Å; L310-L388 HydrophobicContact CD2-CD1 3.79Å; L310-L388 HydrophobicContact CG-CD1 3.83Å; S384-L388 VanDerWaalsContact O-CB 3.29Å; S384-L388 WeakPolarHBondContact O-CB 3.34Å; S384-L388 PolarHBondContact O-N 3.19Å; H385-L388 PolarHBondContact O-N 2.87Å; L388-L391 PolarHBondContact O-N 3.49Å; L388-L392 HydrophobicContact CD1-CD1 4.45Å; L388-L392 HydrophobicContact CD1-CG 4.48Å; L388-L392 HydrophobicContact CG-CD1 4.21Å; L388-L392 WeakPolarHBondContact O-CG 3.39Å; L388-L392 PolarHBondContact O-N 2.75Å; L388-V838 HydrophobicContact CD2-CG1 3.77Å; L388-V933 HydrophobicContact CD2-CG1 3.91Å; L388-F935 HydrophobicContact CD1-CE1 4.26Å; L388-F935 HydrophobicContact CD1-CZ 3.93Å; L388-F935 HydrophobicContact CD2-CE1 4.22Å; L388-F935 HydrophobicContact CD2-CE2 4.33Å; L388-F935 HydrophobicContact CD2-CZ 3.53Å; L388-F935 HydrophobicContact CG-CZ 4.4Å
389	A	93.9	Very high	90.9	Very high	21 Å²	21	31.3 Å²	31.3	17%	0.174	15%	0.149	C	C	.	.	H	α-helix	trans	-60.5	-44.9	174.2	0	0	0	0	0	112.1	H385 L387 L391 L392 D393 Y466	H385-A389 WeakPolarHBondContact O-CB 3.45Å; H385-A389 PolarHBondContact O-N 3.04Å; L387-A389 VanDerWaalsContact C-N 3.3Å; L387-A389 PolarHBondContact O-N 3.25Å; A389-L391 PolarHBondContact O-N 2.88Å; A389-L392 PolarHBondContact O-N 3.02Å; A389-D393 WeakPolarHBondContact O-CB 3.34Å; A389-D393 PolarHBondContact O-N 2.94Å; A389-Y466 HydrophobicContact CB-CE1 3.66Å
390	F	95.6	Very high	92.2	Very high	29 Å²	29	26.2 Å²	26.2	13%	0.127	13%	0.13	C	C	.	.	H	α-helix	trans	-62.8	-37.7	174.2	166.9	-99.3	0	0	0	113.1	M337 I341 V369 F372 A373 F376 E386 L387 G394	M337-F390 HydrophobicContact CE-CE2 3.93Å; M337-F390 HydrophobicContact CE-CZ 4.5Å; I341-F390 HydrophobicContact CD1-CE1 4.32Å; I341-F390 HydrophobicContact CD1-CZ 4.25Å; V369-F390 HydrophobicContact CG1-CE1 4.13Å; V369-F390 HydrophobicContact CG2-CE1 4.4Å; F372-F390 HydrophobicContact CB-CE2 4.49Å; F372-F390 HydrophobicContact CB-CZ 4.1Å; A373-F390 HydrophobicContact CB-CD1 4.2Å; A373-F390 HydrophobicContact CB-CD2 3.82Å; A373-F390 HydrophobicContact CB-CE1 3.97Å; A373-F390 HydrophobicContact CB-CE2 3.57Å; A373-F390 HydrophobicContact CB-CG 4.13Å; A373-F390 HydrophobicContact CB-CZ 3.65Å; F376-F390 HydrophobicContact CD2-CD1 4.38Å; F376-F390 HydrophobicContact CE2-CB 3.99Å; F376-F390 HydrophobicContact CE2-CD1 4.1Å; F376-F390 HydrophobicContact CE2-CG 4.06Å; E386-F390 PolarHBondContact O-N 2.98Å; L387-F390 HydrophobicContact CD1-CD1 4.15Å; L387-F390 CarbonylContact O-C 3.53Å; L387-F390 WeakPolarHBondContact O-CB 3.46Å; L387-F390 PolarHBondContact O-N 3.33Å; L387-F390 VanDerWaalsContact O-N 3.13Å; F390-G394 PolarHBondContact O-N 3.28Å
391	L	96.3	Very high	93.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-72.4	-39.8	179.1	-70.1	180	0	0	0	112.1	L310 I341 F365 V369 L387 L388 A389 L395	L310-L391 HydrophobicContact CD1-CB 4.39Å; L310-L391 HydrophobicContact CD1-CD1 4.22Å; I341-L391 HydrophobicContact CG2-CD2 4.36Å; F365-L391 HydrophobicContact CE1-CD1 4.4Å; F365-L391 HydrophobicContact CE1-CD2 4.48Å; F365-L391 HydrophobicContact CE2-CD2 4.21Å; F365-L391 HydrophobicContact CZ-CD1 3.93Å; F365-L391 HydrophobicContact CZ-CD2 3.59Å; F365-L391 HydrophobicContact CZ-CG 4.44Å; V369-L391 HydrophobicContact CG2-CD2 4.08Å; L387-L391 HydrophobicContact CD1-CD1 4.34Å; L387-L391 HydrophobicContact CD1-CG 4.16Å; L387-L391 HydrophobicContact CD2-CD1 4.21Å; L387-L391 HydrophobicContact CG-CD1 3.96Å; L387-L391 HydrophobicContact CG-CG 4.14Å; L387-L391 WeakPolarHBondContact O-CG 3.17Å; L387-L391 PolarHBondContact O-N 2.73Å; L388-L391 PolarHBondContact O-N 3.49Å; A389-L391 PolarHBondContact O-N 2.88Å; L391-L395 WeakPolarHBondContact O-CB 3.25Å; L391-L395 WeakPolarHBondContact O-CG 3.37Å; L391-L395 PolarHBondContact O-N 3.42Å
392	L	96.1	Very high	94.5	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.01	10%	0.104	C	C	.	.	H	α-helix	trans	-64.5	-47.1	174.8	-69.6	170.8	0	0	0	111.1	L310 L388 A389 H396 I437 F441 C465 Y466	L310-L392 HydrophobicContact CD2-CD2 4.23Å; L388-L392 HydrophobicContact CD1-CD1 4.45Å; L388-L392 HydrophobicContact CD1-CG 4.48Å; L388-L392 HydrophobicContact CG-CD1 4.21Å; L388-L392 WeakPolarHBondContact O-CG 3.39Å; L388-L392 PolarHBondContact O-N 2.75Å; A389-L392 PolarHBondContact O-N 3.02Å; L392-H396 VanDerWaalsContact O-CB 3.25Å; L392-H396 WeakPolarHBondContact O-CB 3.33Å; L392-H396 PolarHBondContact O-N 2.92Å; L392-I437 HydrophobicContact CB-CG2 4.46Å; L392-I437 HydrophobicContact CD2-CG2 4.26Å; L392-F441 HydrophobicContact CD2-CD1 4.2Å; L392-F441 HydrophobicContact CD2-CD2 3.82Å; L392-F441 HydrophobicContact CD2-CE1 4.11Å; L392-F441 HydrophobicContact CD2-CE2 3.73Å; L392-F441 HydrophobicContact CD2-CG 4.05Å; L392-F441 HydrophobicContact CD2-CZ 3.87Å; L392-C465 HydrophobicContact CD1-CB 4.47Å; L392-Y466 HydrophobicContact CD1-CD1 4.25Å
393	D	94.6	Very high	94.6	Very high	91 Å²	91	25.2 Å²	25.2	49%	0.487	12%	0.117	S	C	.	.	H	α-helix	trans	-62.3	-46.3	176.3	-173.1	68.1	0	0	0	112	A389 H396 E397	A389-D393 WeakPolarHBondContact O-CB 3.34Å; A389-D393 PolarHBondContact O-N 2.94Å; D393-H396 WeakPolarHBondContact O-CB 3.18Å; D393-H396 PolarHBondContact O-N 2.83Å; D393-E397 PolarHBondContact O-N 2.8Å
394	G	95.2	Very high	94.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68.5	-39	-179.6	0	0	0	0	0	114.2	M337 F390 D398	M337-G394 WeakPolarHBondContact SD-CA 3.44Å; F390-G394 PolarHBondContact O-N 3.28Å; G394-D398 VanDerWaalsContact O-CB 3.27Å; G394-D398 WeakPolarHBondContact O-CB 3.46Å; G394-D398 PolarHBondContact O-N 3.15Å
395	L	97.1	Very high	94.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69.2	-35.9	171.7	-69.6	174.1	0	0	0	111.6	F320 I341 A342 Y345 L391 L399 I437	F320-L395 HydrophobicContact CZ-CD2 4.23Å; I341-L395 HydrophobicContact CG2-CD2 4.13Å; I341-L395 HydrophobicContact CG2-CG 4.43Å; A342-L395 HydrophobicContact CB-CD2 4.11Å; Y345-L395 HydrophobicContact CD1-CD1 4.11Å; Y345-L395 HydrophobicContact CD1-CD2 4.17Å; Y345-L395 HydrophobicContact CD2-CD1 4.45Å; Y345-L395 HydrophobicContact CE1-CD1 4.24Å; Y345-L395 HydrophobicContact CG-CD1 4.22Å; Y345-L395 HydrophobicContact CG-CD2 4.12Å; L391-L395 WeakPolarHBondContact O-CB 3.25Å; L391-L395 WeakPolarHBondContact O-CG 3.37Å; L391-L395 PolarHBondContact O-N 3.42Å; L395-L399 WeakPolarHBondContact O-CB 3.33Å; L395-L399 WeakPolarHBondContact O-CG 3.3Å; L395-L399 PolarHBondContact O-N 2.97Å; L395-I437 HydrophobicContact CB-CD1 3.94Å; L395-I437 HydrophobicContact CB-CG1 3.87Å; L395-I437 HydrophobicContact CD1-CD1 4.43Å
396	H	97.3	Very high	94.6	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.037	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-50.9	174.5	170	57.2	0	0	0	110.8	L392 D393 L399 N400 N433 S435 I437 V438	L392-H396 VanDerWaalsContact O-CB 3.25Å; L392-H396 WeakPolarHBondContact O-CB 3.33Å; L392-H396 PolarHBondContact O-N 2.92Å; D393-H396 WeakPolarHBondContact O-CB 3.18Å; D393-H396 PolarHBondContact O-N 2.83Å; H396-L399 CarbonylContact O-C 3.59Å; H396-L399 PolarHBondContact O-N 2.82Å; H396-N400 PolarHBondContact CE1-ND2 3.35Å; H396-N400 PolarHBondContact NE2-ND2 2.95Å; H396-N400 WeakPolarHBondContact O-CB 3.46Å; H396-N400 PolarHBondContact O-N 3.22Å; H396-N433 WeakPolarHBondContact NE2-CB 3.36Å; H396-S435 PolarHBondContact ND1-OG 2.96Å; H396-S435 PolarHBondContact O-OG 3.35Å; H396-I437 HydrophobicContact CB-CB 3.94Å; H396-I437 HydrophobicContact CB-CG1 4.29Å; H396-I437 HydrophobicContact CB-CG2 4Å; H396-V438 VanDerWaalsContact CE1-CG2 3.44Å; H396-V438 WeakPolarHBondContact CE1-CG2 3.46Å; H396-V438 WeakPolarHBondContact ND1-CG2 3.18Å
397	E	97.1	Very high	94.4	Very high	12 Å²	12	42.6 Å²	42.6	6%	0.056	19%	0.192	C	C	.	.	H	α-helix	trans	-75.3	-33	-175.2	-65.8	-70.7	-151	0	0	113.4	N333 L335 D393 L399 N400 K405	N333-E397 PolarHBondContact ND2-O 3.49Å; N333-E397 PolarHBondContact ND2-OE2 2.88Å; L335-E397 HydrophobicContact CB-CG 4.07Å; L335-E397 WeakPolarHBondContact CB-OE1 3.44Å; L335-E397 WeakPolarHBondContact CD1-OE1 3.17Å; D393-E397 PolarHBondContact O-N 2.8Å; E397-L399 PolarHBondContact O-N 3.29Å; E397-N400 PolarHBondContact OE2-ND2 2.87Å; E397-K405 IonicContact OE1-NZ 3.78Å; E397-K405 PolarHBondContact OE1-NZ 2.78Å; E397-K405 WeakPolarHBondContact OE2-CE 3.46Å; E397-K405 IonicContact OE2-NZ 2.74Å; E397-K405 PolarHBondContact OE2-NZ 2.83Å
398	D	97.3	Very high	94	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.6	-20.9	172.6	-91.2	-3.7	0	0	0	113.5	L329 N330 M337 K338 G339 E340 I341 A342 G394	L329-D398 WeakPolarHBondContact CA-O 3.21Å; N330-D398 PolarHBondContact N-O 3.48Å; M337-D398 VanDerWaalsContact C-OD1 3.22Å; M337-D398 VanDerWaalsContact CA-OD1 3.26Å; M337-D398 WeakPolarHBondContact CA-OD1 3.2Å; M337-D398 PolarHBondContact N-OD1 2.76Å; K338-D398 PolarHBondContact N-OD1 3.26Å; G339-D398 WeakPolarHBondContact CA-OD1 3.33Å; G339-D398 WeakPolarHBondContact CA-OD2 3.48Å; G339-D398 PolarHBondContact N-OD1 2.8Å; G339-D398 PolarHBondContact N-OD2 3.42Å; E340-D398 PolarHBondContact N-OD2 2.82Å; E340-D398 VanDerWaalsContact N-OD2 3.15Å; I341-D398 WeakPolarHBondContact CA-OD2 3.23Å; I341-D398 WeakPolarHBondContact CB-OD2 3.44Å; I341-D398 PolarHBondContact N-OD2 3.02Å; A342-D398 HydrophobicContact CB-CB 3.65Å; A342-D398 PolarHBondContact N-OD2 3.23Å; G394-D398 VanDerWaalsContact O-CB 3.27Å; G394-D398 WeakPolarHBondContact O-CB 3.46Å; G394-D398 PolarHBondContact O-N 3.15Å
399	L	96.9	Very high	93.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	14.5	-177.8	-60.3	170	0	0	0	112.9	Y319 F320 E328 L329 A342 L395 H396 E397 R401 S435 I436	Y319-L399 HydrophobicContact CE1-CD1 3.85Å; F320-L399 HydrophobicContact CE1-CD1 4.18Å; F320-L399 HydrophobicContact CZ-CD1 3.8Å; E328-L399 HydrophobicContact CB-CD2 4.45Å; L329-L399 HydrophobicContact CD2-CD2 4.04Å; L329-L399 HydrophobicContact CG-CD2 4.38Å; A342-L399 HydrophobicContact CB-CD1 4.3Å; A342-L399 HydrophobicContact CB-CD2 3.95Å; A342-L399 HydrophobicContact CB-CG 3.98Å; L395-L399 WeakPolarHBondContact O-CB 3.33Å; L395-L399 WeakPolarHBondContact O-CG 3.3Å; L395-L399 PolarHBondContact O-N 2.97Å; H396-L399 CarbonylContact O-C 3.59Å; H396-L399 PolarHBondContact O-N 2.82Å; E397-L399 PolarHBondContact O-N 3.29Å; L399-R401 PolarHBondContact O-N 3.43Å; L399-R401 VanDerWaalsContact O-N 3.14Å; L399-S435 WeakPolarHBondContact O-CB 3.33Å; L399-I436 HydrophobicContact CD1-CG2 3.95Å
400	N	96.7	Very high	92.7	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	26%	0.256	C	S	.	.			trans	-70.8	111.1	-173.9	-162.1	-33.7	0	0	0	111.4	N330 H396 E397 I402 K405 R432 D434	N330-N400 PolarHBondContact ND2-O 3.25Å; H396-N400 PolarHBondContact CE1-ND2 3.35Å; H396-N400 PolarHBondContact NE2-ND2 2.95Å; H396-N400 WeakPolarHBondContact O-CB 3.46Å; H396-N400 PolarHBondContact O-N 3.22Å; E397-N400 PolarHBondContact OE2-ND2 2.87Å; N400-I402 PolarHBondContact O-N 3.43Å; N400-I402 VanDerWaalsContact O-N 3.17Å; N400-I402 WeakPolarHBondContact OD1-CB 3.3Å; N400-I402 PolarHBondContact OD1-N 3.04Å; N400-K405 WeakPolarHBondContact ND2-CE 3.38Å; N400-K405 PolarHBondContact ND2-NZ 2.66Å; N400-R432 PolarHBondContact ND2-O 2.99Å; N400-D434 CarbonylContact C-O 3.53Å; N400-D434 WeakPolarHBondContact CA-O 3.26Å; N400-D434 PolarHBondContact OD1-N 3.4Å; N400-D434 PolarHBondContact OD1-O 3.12Å
401	R	95.4	Very high	92	Very high	74 Å²	74	60.6 Å²	60.6	28%	0.279	28%	0.275	S	S	.	.	S	Bend	trans	-55.7	-31.2	176.8	-58.5	172.8	-173.2	126.9	2.2	111.3	E328 L399 R403 D434 D439	E328-R401 HydrophobicContact CG-CG 4.47Å; E328-R401 IonicContact OE1-CZ 3.74Å; E328-R401 VanDerWaalsContact OE1-CZ 3.29Å; E328-R401 IonicContact OE1-NE 3.83Å; E328-R401 PolarHBondContact OE1-NE 3.25Å; E328-R401 IonicContact OE1-NH2 2.7Å; E328-R401 PolarHBondContact OE1-NH2 2.74Å; E328-R401 IonicContact OE2-NE 2.7Å; E328-R401 IonicContact OE2-NH2 2.75Å; L399-R401 PolarHBondContact O-N 3.43Å; L399-R401 VanDerWaalsContact O-N 3.14Å; R401-R403 PolarHBondContact O-N 2.89Å; R401-D434 HydrophobicContact CB-CB 4.22Å; R401-D434 WeakPolarHBondContact CB-O 3.14Å; R401-D434 WeakPolarHBondContact CD-OD1 3.4Å; R401-D434 WeakPolarHBondContact CD-OD2 3.42Å; R401-D434 WeakPolarHBondContact CG-O 3.39Å; R401-D434 IonicContact CZ-OD1 3.79Å; R401-D434 PolarHBondContact N-O 3.07Å; R401-D434 IonicContact NE-OD1 3.44Å; R401-D434 IonicContact NH1-OD1 2.67Å; R401-D434 PolarHBondContact NH1-OD1 3.07Å; R401-D439 IonicContact CZ-OD2 2.68Å; R401-D439 VanDerWaalsContact CZ-OD2 3.28Å; R401-D439 IonicContact NH1-OD1 3.36Å; R401-D439 PolarHBondContact NH1-OD1 2.88Å; R401-D439 VanDerWaalsContact NH1-OD1 3.1Å; R401-D439 IonicContact NH1-OD2 2.73Å; R401-D439 PolarHBondContact NH1-OD2 3.13Å; R401-D439 IonicContact NH2-OD2 2.66Å; R401-D439 PolarHBondContact NH2-OD2 2.93Å
402	I	94.3	Very high	91.4	Very high	39 Å²	39	62 Å²	62	20%	0.2	28%	0.282	C	S	.	.			trans	-74.7	84.2	176.6	-46.8	-52.7	0	0	0	111.6	N400 K404 K405 D434	N400-I402 PolarHBondContact O-N 3.43Å; N400-I402 VanDerWaalsContact O-N 3.17Å; N400-I402 WeakPolarHBondContact OD1-CB 3.3Å; N400-I402 PolarHBondContact OD1-N 3.04Å; I402-K404 PolarHBondContact O-N 3.05Å; I402-K405 HydrophobicContact CG2-CG 4.41Å; I402-D434 HydrophobicContact CD1-CB 3.79Å; I402-D434 HydrophobicContact CG1-CB 3.76Å
403	R	89.6	Confident	90.9	Very high	127 Å²	127	62.1 Å²	62.1	48%	0.479	28%	0.284	S	S	.	.	S	Bend	trans	-57.3	-21.5	178.4	-52.5	-51.7	-178.6	135.8	-9.8	114.9	D327 E328 L329 R401	D327-R403 PolarHBondContact O-NH2 3.39Å; E328-R403 PolarHBondContact O-NH2 2.84Å; L329-R403 PolarHBondContact O-NH1 3.4Å; L329-R403 PolarHBondContact O-NH2 2.73Å; R401-R403 PolarHBondContact O-N 2.89Å
404	K	89.6	Confident	90.5	Very high	187 Å²	187	63.9 Å²	63.9	81%	0.813	29%	0.293	S	S	*	.	S	Bend	trans	-143.3	87.9	178.7	-172.9	-177.1	177.8	-179.1	0	111.8	I402 P406	I402-K404 PolarHBondContact O-N 3.05Å; K404-P406 WeakPolarHBondContact O-CD 3.43Å
405	K	91	Very high	89.9	Confident	42 Å²	42	67.7 Å²	67.7	18%	0.183	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-56.5	119.1	-179.4	-55	-163.3	177.5	-158.3	0	111.9	L335 E397 N400 I402 R432 N433	L335-K405 HydrophobicContact CD1-CD 4.24Å; E397-K405 IonicContact OE1-NZ 3.78Å; E397-K405 PolarHBondContact OE1-NZ 2.78Å; E397-K405 WeakPolarHBondContact OE2-CE 3.46Å; E397-K405 IonicContact OE2-NZ 2.74Å; E397-K405 PolarHBondContact OE2-NZ 2.83Å; N400-K405 WeakPolarHBondContact ND2-CE 3.38Å; N400-K405 PolarHBondContact ND2-NZ 2.66Å; I402-K405 HydrophobicContact CG2-CG 4.41Å; K405-R432 WeakPolarHBondContact CD-O 3.36Å; K405-R432 WeakPolarHBondContact CE-O 3.5Å; K405-R432 WeakPolarHBondContact CG-O 3.47Å; K405-R432 PolarHBondContact NZ-O 3.27Å; K405-N433 PolarHBondContact NZ-OD1 2.9Å
406	P	90.4	Very high	89.7	Confident	56 Å²	56	71.4 Å²	71.4	36%	0.364	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-67.1	154.2	171.5	27.7	-34.1	0	0	0	111.4	K404 I408 K431 R432	K404-P406 WeakPolarHBondContact O-CD 3.43Å; P406-I408 HydrophobicContact CB-CG1 4.37Å; P406-I408 HydrophobicContact CG-CD1 4.11Å; P406-I408 HydrophobicContact CG-CG1 4.18Å; P406-K431 WeakPolarHBondContact CD-O 3.41Å; P406-K431 VanDerWaalsContact CG-O 3.25Å; P406-K431 WeakPolarHBondContact CG-O 3.35Å; P406-R432 HydrophobicContact CG-CG 4Å; P406-R432 WeakPolarHBondContact O-CD 3.28Å; P406-R432 PolarHBondContact O-NE 3.05Å
407	Y	88.8	Confident	89.5	Confident	202 Å²	202	75.3 Å²	75.3	79%	0.792	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-79.5	119.4	163.8	177.3	-95.2	0	0	0	108.7	Q409	Y407-Q409 HydrophobicContact CE1-CB 4.24Å
408	I	84.9	Confident	89.3	Confident	41 Å²	41	77.4 Å²	77.4	21%	0.21	38%	0.384	C	S	.	.			trans	-120	126.4	176.9	-57.6	-179.4	0	0	0	107.9	P406 L410 N428 K431 R432	P406-I408 HydrophobicContact CB-CG1 4.37Å; P406-I408 HydrophobicContact CG-CD1 4.11Å; P406-I408 HydrophobicContact CG-CG1 4.18Å; I408-L410 PolarHBondContact O-N 3.3Å; I408-N428 HydrophobicContact CD1-CB 4.1Å; I408-N428 HydrophobicContact CG2-CB 4.01Å; I408-K431 HydrophobicContact CD1-CB 4.02Å; I408-R432 HydrophobicContact CD1-CG 3.8Å; I408-R432 HydrophobicContact CG1-CG 4.31Å
409	Q	81.8	Confident	89.1	Confident	147 Å²	147	82.4 Å²	82.4	69%	0.687	41%	0.406	S	S	*	.			trans	-84.4	109.4	173.7	-174.6	176.6	15.2	0	0	109.1	Y407	Y407-Q409 HydrophobicContact CE1-CB 4.24Å
410	L	80.5	Confident	88.9	Confident	124 Å²	124	85.9 Å²	85.9	65%	0.649	43%	0.427	S	S	*	.			trans	-58.8	139.4	173.3	-65	175.6	0	0	0	110.8	I408	I408-L410 PolarHBondContact O-N 3.3Å
411	K	80.6	Confident	88.8	Confident	120 Å²	120	86 Å²	86	52%	0.522	43%	0.427	S	S	.	.			trans	-112.9	137.2	179.9	-56.8	175.6	-159.4	157.6	0	109.5	E424	K411-E424 IonicContact NZ-OE2 3.42Å; K411-E424 PolarHBondContact NZ-OE2 3.06Å
412	D	84.9	Confident	88.8	Confident	30 Å²	30	82.6 Å²	82.6	16%	0.16	42%	0.415	C	S	.	.			trans	-64.4	149.4	163.8	-177.2	21.5	0	0	0	109.8	N414 K456 S458 V459	D412-N414 PolarHBondContact O-N 3.12Å; D412-N414 PolarHBondContact O-ND2 2.9Å; D412-K456 WeakPolarHBondContact OD2-CE 3.27Å; D412-K456 IonicContact OD2-NZ 3.55Å; D412-K456 PolarHBondContact OD2-NZ 2.81Å; D412-S458 VanDerWaalsContact CG-OG 3.25Å; D412-S458 WeakPolarHBondContact OD1-CA 3.31Å; D412-S458 PolarHBondContact OD1-OG 2.91Å; D412-S458 PolarHBondContact OD2-OG 3.35Å; D412-V459 PolarHBondContact OD1-N 3.14Å
413	A	85.9	Confident	88.7	Confident	5 Å²	5	84.9 Å²	84.9	4%	0.041	43%	0.425	C	S	.	.			trans	-55.9	-36.4	-178	0	0	0	0	0	112.7	G415 R416 V421 V459	A413-G415 PolarHBondContact O-N 3.36Å; A413-G415 VanDerWaalsContact O-N 3.14Å; A413-R416 WeakPolarHBondContact O-CB 3.49Å; A413-R416 WeakPolarHBondContact O-CG 3.45Å; A413-R416 PolarHBondContact O-N 2.93Å; A413-R416 VanDerWaalsContact O-N 3.08Å; A413-R416 PolarHBondContact O-NE 3.08Å; A413-V421 HydrophobicContact CB-CB 4.47Å; A413-V421 HydrophobicContact CB-CG1 4.08Å; A413-V421 HydrophobicContact CB-CG2 3.91Å; A413-V459 HydrophobicContact CB-CB 3.76Å; A413-V459 HydrophobicContact CB-CG1 4.07Å; A413-V459 PolarHBondContact N-O 3.44Å
414	N	85.1	Confident	88.9	Confident	127 Å²	127	80.7 Å²	80.7	68%	0.679	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	28	179.3	-70.3	-68.4	0	0	0	114.7	D412	D412-N414 PolarHBondContact O-N 3.12Å; D412-N414 PolarHBondContact O-ND2 2.9Å
415	G	83	Confident	89.1	Confident	80 Å²	80	72.6 Å²	72.6	83%	0.825	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.1	6.7	179.9	0	0	0	0	0	115.2	A413	A413-G415 PolarHBondContact O-N 3.36Å; A413-G415 VanDerWaalsContact O-N 3.14Å
416	R	92.5	Very high	89.3	Confident	78 Å²	78	74.7 Å²	74.7	29%	0.294	39%	0.385	S	S	.	.			trans	-65.6	154.2	164.9	-66.8	-179.1	-68	166.4	-0.3	110.9	A413 V421 E424	A413-R416 WeakPolarHBondContact O-CB 3.49Å; A413-R416 WeakPolarHBondContact O-CG 3.45Å; A413-R416 PolarHBondContact O-N 2.93Å; A413-R416 VanDerWaalsContact O-N 3.08Å; A413-R416 PolarHBondContact O-NE 3.08Å; R416-V421 HydrophobicContact CB-CG2 3.61Å; R416-E424 IonicContact CZ-OE1 3.28Å; R416-E424 IonicContact NH1-OE1 3.1Å; R416-E424 PolarHBondContact NH1-OE1 2.92Å; R416-E424 IonicContact NH1-OE2 2.76Å; R416-E424 PolarHBondContact NH1-OE2 3Å; R416-E424 VanDerWaalsContact NH1-OE2 3.15Å; R416-E424 IonicContact NH2-OE1 2.88Å; R416-E424 PolarHBondContact NH2-OE1 3.25Å
417	P	93.3	Very high	89.5	Confident	90 Å²	90	77 Å²	77	58%	0.584	39%	0.392	S	S	*	.			trans	-59.4	144.1	174.1	-22	33.6	0	0	0	112.2	K419 V420 V421	P417-K419 PolarHBondContact O-N 2.98Å; P417-V420 HydrophobicContact CB-CG2 4.43Å; P417-V420 PolarHBondContact O-N 3.08Å; P417-V421 WeakPolarHBondContact O-CG2 3.29Å; P417-V421 PolarHBondContact O-N 2.83Å
418	D	93.4	Very high	89.7	Confident	56 Å²	56	68.9 Å²	68.9	30%	0.299	36%	0.362	S	S	.	.	H	α-helix	trans	-54.6	-47.1	-176.3	-78.9	-36.7	0	0	0	112.9	V420 V421 A422 K446 F461 W831	D418-V420 PolarHBondContact O-N 2.63Å; D418-V421 PolarHBondContact O-N 3.24Å; D418-V421 VanDerWaalsContact O-N 3.08Å; D418-A422 WeakPolarHBondContact O-CB 3.25Å; D418-A422 PolarHBondContact O-N 3.02Å; D418-K446 WeakPolarHBondContact OD1-CE 3.13Å; D418-K446 IonicContact OD1-NZ 3.95Å; D418-K446 PolarHBondContact OD1-NZ 2.86Å; D418-K446 IonicContact OD2-NZ 3.9Å; D418-K446 PolarHBondContact OD2-NZ 2.81Å; D418-F461 HydrophobicContact CB-CE2 4.42Å; D418-F461 HydrophobicContact CB-CZ 3.81Å; D418-W831 HydrophobicContact CB-CH2 3.93Å; D418-W831 HydrophobicContact CB-CZ3 3.71Å
419	K	93.3	Very high	90.1	Very high	106 Å²	106	67.6 Å²	67.6	46%	0.461	36%	0.355	S	S	.	.	H	α-helix	trans	-49.9	-53.4	178.4	178	174.6	175.2	-179.9	0	112.1	P417 V421 A422 E423 W831	P417-K419 PolarHBondContact O-N 2.98Å; K419-V421 VanDerWaalsContact C-N 3.28Å; K419-V421 PolarHBondContact O-N 3.18Å; K419-A422 PolarHBondContact O-N 2.86Å; K419-E423 WeakPolarHBondContact CE-OE1 3.47Å; K419-E423 HydrophobicContact CG-CG 4.49Å; K419-E423 WeakPolarHBondContact CG-OE1 3.4Å; K419-E423 IonicContact NZ-OE1 2.62Å; K419-E423 WeakPolarHBondContact O-CB 3.45Å; K419-E423 VanDerWaalsContact O-CG 3.31Å; K419-E423 WeakPolarHBondContact O-CG 3.29Å; K419-E423 PolarHBondContact O-N 2.64Å; K419-W831 HydrophobicContact CB-CH2 4.31Å; K419-W831 HydrophobicContact CB-CZ2 4.2Å
420	V	93.1	Very high	90.7	Very high	72 Å²	72	63 Å²	63	44%	0.436	33%	0.334	S	S	.	.	H	α-helix	trans	-63.8	-30.9	-178.6	-178.1	0	0	0	0	112.6	P417 D418 E424	P417-V420 HydrophobicContact CB-CG2 4.43Å; P417-V420 PolarHBondContact O-N 3.08Å; D418-V420 PolarHBondContact O-N 2.63Å; V420-E424 WeakPolarHBondContact O-CB 3.44Å; V420-E424 PolarHBondContact O-N 2.82Å; V420-E424 VanDerWaalsContact O-N 3.13Å
421	V	94.5	Very high	91.3	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.018	32%	0.323	C	S	.	.	H	α-helix	trans	-82.2	-34.1	178	-172.3	0	0	0	0	111.2	A413 R416 P417 D418 K419 A425 F461	A413-V421 HydrophobicContact CB-CB 4.47Å; A413-V421 HydrophobicContact CB-CG1 4.08Å; A413-V421 HydrophobicContact CB-CG2 3.91Å; R416-V421 HydrophobicContact CB-CG2 3.61Å; P417-V421 WeakPolarHBondContact O-CG2 3.29Å; P417-V421 PolarHBondContact O-N 2.83Å; D418-V421 PolarHBondContact O-N 3.24Å; D418-V421 VanDerWaalsContact O-N 3.08Å; K419-V421 VanDerWaalsContact C-N 3.28Å; K419-V421 PolarHBondContact O-N 3.18Å; V421-A425 VanDerWaalsContact O-CB 3.24Å; V421-A425 WeakPolarHBondContact O-CB 3.45Å; V421-A425 PolarHBondContact O-N 3.49Å; V421-F461 HydrophobicContact CB-CD2 4.01Å; V421-F461 HydrophobicContact CB-CE2 4.01Å; V421-F461 HydrophobicContact CG1-CD2 3.78Å; V421-F461 HydrophobicContact CG1-CE2 4.18Å
422	A	93.4	Very high	91.9	Very high	2 Å²	2	59.9 Å²	59.9	2%	0.017	31%	0.313	C	S	.	.	H	α-helix	trans	-66.6	-43.3	173.3	0	0	0	0	0	111.7	D418 K419 A425 W426 L444 F461 W831	D418-A422 WeakPolarHBondContact O-CB 3.25Å; D418-A422 PolarHBondContact O-N 3.02Å; K419-A422 PolarHBondContact O-N 2.86Å; A422-A425 PolarHBondContact O-N 2.9Å; A422-W426 WeakPolarHBondContact O-CB 3.18Å; A422-W426 PolarHBondContact O-N 2.88Å; A422-L444 HydrophobicContact CB-CD2 3.89Å; A422-F461 HydrophobicContact CB-CD1 3.63Å; A422-F461 HydrophobicContact CB-CD2 4.38Å; A422-F461 HydrophobicContact CB-CE1 3.76Å; A422-F461 HydrophobicContact CB-CE2 4.49Å; A422-F461 HydrophobicContact CB-CG 3.95Å; A422-F461 HydrophobicContact CB-CZ 4.2Å; A422-W831 HydrophobicContact CB-CD2 4.04Å; A422-W831 HydrophobicContact CB-CG 4.19Å; A422-W831 HydrophobicContact CB-CZ2 4.06Å; A422-W831 VanDerWaalsContact CB-NE1 3.32Å
423	E	93.8	Very high	92.4	Very high	87 Å²	87	59.7 Å²	59.7	41%	0.407	31%	0.312	S	S	.	.	H	α-helix	trans	-62.4	-49.6	173.6	-71.7	160.7	168.1	0	0	111.1	K419 A425 W426 E427	K419-E423 WeakPolarHBondContact CE-OE1 3.47Å; K419-E423 HydrophobicContact CG-CG 4.49Å; K419-E423 WeakPolarHBondContact CG-OE1 3.4Å; K419-E423 IonicContact NZ-OE1 2.62Å; K419-E423 WeakPolarHBondContact O-CB 3.45Å; K419-E423 VanDerWaalsContact O-CG 3.31Å; K419-E423 WeakPolarHBondContact O-CG 3.29Å; K419-E423 PolarHBondContact O-N 2.64Å; E423-A425 VanDerWaalsContact C-N 3.26Å; E423-A425 PolarHBondContact O-N 2.93Å; E423-W426 PolarHBondContact O-N 3.05Å; E423-E427 WeakPolarHBondContact O-CB 3.33Å; E423-E427 PolarHBondContact O-N 3.01Å
424	E	93.7	Very high	92.8	Very high	39 Å²	39	61.2 Å²	61.2	18%	0.182	32%	0.32	C	S	.	.	H	α-helix	trans	-57.4	-39.5	173.6	-179.9	-179.1	72.2	0	0	111.6	K411 R416 V420 N428	K411-E424 IonicContact NZ-OE2 3.42Å; K411-E424 PolarHBondContact NZ-OE2 3.06Å; R416-E424 IonicContact CZ-OE1 3.28Å; R416-E424 IonicContact NH1-OE1 3.1Å; R416-E424 PolarHBondContact NH1-OE1 2.92Å; R416-E424 IonicContact NH1-OE2 2.76Å; R416-E424 PolarHBondContact NH1-OE2 3Å; R416-E424 VanDerWaalsContact NH1-OE2 3.15Å; R416-E424 IonicContact NH2-OE1 2.88Å; R416-E424 PolarHBondContact NH2-OE1 3.25Å; V420-E424 WeakPolarHBondContact O-CB 3.44Å; V420-E424 PolarHBondContact O-N 2.82Å; V420-E424 VanDerWaalsContact O-N 3.13Å; E424-N428 WeakPolarHBondContact CG-ND2 3.26Å; E424-N428 VanDerWaalsContact O-CB 3.24Å; E424-N428 WeakPolarHBondContact O-CB 3.46Å; E424-N428 PolarHBondContact O-N 3.27Å; E424-N428 VanDerWaalsContact O-N 3.14Å; E424-N428 PolarHBondContact O-ND2 3.13Å
425	A	94.1	Very high	93.4	Very high	17 Å²	17	55.1 Å²	55.1	14%	0.14	29%	0.287	C	S	.	.	H	α-helix	trans	-69.4	-43.4	178.5	0	0	0	0	0	112.6	V421 A422 E423 N428 H429 F461	V421-A425 VanDerWaalsContact O-CB 3.24Å; V421-A425 WeakPolarHBondContact O-CB 3.45Å; V421-A425 PolarHBondContact O-N 3.49Å; A422-A425 PolarHBondContact O-N 2.9Å; E423-A425 VanDerWaalsContact C-N 3.26Å; E423-A425 PolarHBondContact O-N 2.93Å; A425-N428 PolarHBondContact O-N 2.91Å; A425-H429 PolarHBondContact O-N 3.37Å; A425-F461 HydrophobicContact CB-CB 3.65Å; A425-F461 WeakPolarHBondContact CB-O 3.46Å
426	W	94.1	Very high	93.9	Very high	86 Å²	86	51.7 Å²	51.7	33%	0.326	25%	0.25	S	C	.	.	H	α-helix	trans	-67	-47	179.2	-170.5	-110.6	0	0	0	111.6	A422 E423 N428 H429 I430 V438 H442 L444	A422-W426 WeakPolarHBondContact O-CB 3.18Å; A422-W426 PolarHBondContact O-N 2.88Å; E423-W426 PolarHBondContact O-N 3.05Å; W426-N428 VanDerWaalsContact C-N 3.26Å; W426-N428 PolarHBondContact O-N 2.94Å; W426-H429 WeakPolarHBondContact O-CA 3.36Å; W426-H429 WeakPolarHBondContact O-CB 3.04Å; W426-H429 PolarHBondContact O-N 3.47Å; W426-I430 HydrophobicContact CZ2-CD1 4.02Å; W426-I430 WeakPolarHBondContact O-CG1 3.46Å; W426-I430 PolarHBondContact O-N 3.47Å; W426-V438 HydrophobicContact CH2-CG1 4.24Å; W426-V438 HydrophobicContact CZ2-CG1 4.48Å; W426-H442 HydrophobicContact CH2-CB 3.81Å; W426-H442 WeakPolarHBondContact CH2-O 3.41Å; W426-H442 HydrophobicContact CZ3-CB 4.21Å; W426-L444 HydrophobicContact CE3-CD1 4.32Å
427	E	94	Very high	94.1	Very high	106 Å²	106	48 Å²	48	50%	0.495	24%	0.236	S	C	.	.	H	α-helix	trans	-52.9	-44.6	171.1	-83.7	-171.3	-134	0	0	111.9	E423 H429 I430 K431	E423-E427 WeakPolarHBondContact O-CB 3.33Å; E423-E427 PolarHBondContact O-N 3.01Å; E427-H429 VanDerWaalsContact C-N 3.3Å; E427-H429 PolarHBondContact O-N 3.27Å; E427-I430 PolarHBondContact O-N 2.88Å; E427-K431 VanDerWaalsContact O-CB 3.31Å; E427-K431 WeakPolarHBondContact O-CB 3.47Å; E427-K431 VanDerWaalsContact O-CD 3.26Å; E427-K431 WeakPolarHBondContact O-CD 3.21Å; E427-K431 WeakPolarHBondContact O-CG 3.37Å; E427-K431 PolarHBondContact O-N 3.09Å; E427-K431 IonicContact OE2-NZ 2.81Å; E427-K431 PolarHBondContact OE2-NZ 2.81Å
428	N	93.4	Very high	94.2	Very high	31 Å²	31	43.9 Å²	43.9	17%	0.166	21%	0.209	C	C	.	.	H	α-helix	trans	-73.3	-21.1	-179.5	-75	-41.3	0	0	0	113.4	I408 E424 A425 W426	I408-N428 HydrophobicContact CD1-CB 4.1Å; I408-N428 HydrophobicContact CG2-CB 4.01Å; E424-N428 WeakPolarHBondContact CG-ND2 3.26Å; E424-N428 VanDerWaalsContact O-CB 3.24Å; E424-N428 WeakPolarHBondContact O-CB 3.46Å; E424-N428 PolarHBondContact O-N 3.27Å; E424-N428 VanDerWaalsContact O-N 3.14Å; E424-N428 PolarHBondContact O-ND2 3.13Å; A425-N428 PolarHBondContact O-N 2.91Å; W426-N428 VanDerWaalsContact C-N 3.26Å; W426-N428 PolarHBondContact O-N 2.94Å
429	H	94	Very high	94.2	Very high	14 Å²	14	43.8 Å²	43.8	7%	0.065	21%	0.208	C	C	.	.	H	α-helix	trans	-72.5	-57.3	167.2	178.1	68	0	0	0	110	A425 W426 E427 K431 R432 N433 H442	A425-H429 PolarHBondContact O-N 3.37Å; W426-H429 WeakPolarHBondContact O-CA 3.36Å; W426-H429 WeakPolarHBondContact O-CB 3.04Å; W426-H429 PolarHBondContact O-N 3.47Å; E427-H429 VanDerWaalsContact C-N 3.3Å; E427-H429 PolarHBondContact O-N 3.27Å; H429-K431 VanDerWaalsContact C-N 3.3Å; H429-K431 PolarHBondContact O-N 2.68Å; H429-R432 CarbonylContact O-C 3.55Å; H429-R432 PolarHBondContact O-N 2.59Å; H429-N433 VanDerWaalsContact CE1-CB 3.41Å; H429-N433 WeakPolarHBondContact CE1-CB 3.42Å; H429-N433 PolarHBondContact CE1-ND2 3.42Å; H429-N433 PolarHBondContact ND1-ND2 3.43Å; H429-N433 WeakPolarHBondContact O-CB 3.48Å; H429-N433 PolarHBondContact O-N 3.08Å; H429-H442 AromaticContact CE1-CE1 3.75Å; H429-H442 AromaticContact CE1-ND1 3.38Å; H429-H442 PolarHBondContact CE1-ND1 2.83Å; H429-H442 AromaticContact NE2-CE1 3.78Å; H429-H442 AromaticContact NE2-ND1 3.08Å; H429-H442 PolarHBondContact NE2-ND1 2.98Å
430	I	93.8	Very high	94.3	Very high	49 Å²	49	38.7 Å²	38.7	25%	0.251	19%	0.186	S	C	.	.	H	α-helix	trans	-55.7	-42.3	-179.5	-60	-57	0	0	0	111.9	W426 E427 R432 N433 D434 V438	W426-I430 HydrophobicContact CZ2-CD1 4.02Å; W426-I430 WeakPolarHBondContact O-CG1 3.46Å; W426-I430 PolarHBondContact O-N 3.47Å; E427-I430 PolarHBondContact O-N 2.88Å; I430-R432 PolarHBondContact O-N 3.12Å; I430-N433 WeakPolarHBondContact CA-O 3.44Å; I430-N433 PolarHBondContact O-N 3.36Å; I430-D434 HydrophobicContact CG2-CB 4.4Å; I430-V438 HydrophobicContact CD1-CG1 3.77Å
431	K	93.7	Very high	94.4	Very high	94 Å²	94	35.3 Å²	35.3	41%	0.409	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-7	175.4	-72.7	163.8	-165.5	171.8	0	115	P406 I408 E427 H429	P406-K431 WeakPolarHBondContact CD-O 3.41Å; P406-K431 VanDerWaalsContact CG-O 3.25Å; P406-K431 WeakPolarHBondContact CG-O 3.35Å; I408-K431 HydrophobicContact CD1-CB 4.02Å; E427-K431 VanDerWaalsContact O-CB 3.31Å; E427-K431 WeakPolarHBondContact O-CB 3.47Å; E427-K431 VanDerWaalsContact O-CD 3.26Å; E427-K431 WeakPolarHBondContact O-CD 3.21Å; E427-K431 WeakPolarHBondContact O-CG 3.37Å; E427-K431 PolarHBondContact O-N 3.09Å; E427-K431 IonicContact OE2-NZ 2.81Å; E427-K431 PolarHBondContact OE2-NZ 2.81Å; H429-K431 VanDerWaalsContact C-N 3.3Å; H429-K431 PolarHBondContact O-N 2.68Å
432	R	93.3	Very high	94.5	Very high	86 Å²	86	36.4 Å²	36.4	33%	0.325	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.5	-24.8	177.1	-59.8	-178.7	70.3	-118.5	-8.9	113.2	N400 K405 P406 I408 H429 I430	N400-R432 PolarHBondContact ND2-O 2.99Å; K405-R432 WeakPolarHBondContact CD-O 3.36Å; K405-R432 WeakPolarHBondContact CE-O 3.5Å; K405-R432 WeakPolarHBondContact CG-O 3.47Å; K405-R432 PolarHBondContact NZ-O 3.27Å; P406-R432 HydrophobicContact CG-CG 4Å; P406-R432 WeakPolarHBondContact O-CD 3.28Å; P406-R432 PolarHBondContact O-NE 3.05Å; I408-R432 HydrophobicContact CD1-CG 3.8Å; I408-R432 HydrophobicContact CG1-CG 4.31Å; H429-R432 CarbonylContact O-C 3.55Å; H429-R432 PolarHBondContact O-N 2.59Å; I430-R432 PolarHBondContact O-N 3.12Å
433	N	94.5	Very high	94.5	Very high	25 Å²	25	36.3 Å²	36.3	13%	0.134	17%	0.17	C	C	.	.			trans	-143.1	97	-165.2	-61.6	-24.5	0	0	0	108.4	H396 K405 H429 I430	H396-N433 WeakPolarHBondContact NE2-CB 3.36Å; K405-N433 PolarHBondContact NZ-OD1 2.9Å; H429-N433 VanDerWaalsContact CE1-CB 3.41Å; H429-N433 WeakPolarHBondContact CE1-CB 3.42Å; H429-N433 PolarHBondContact CE1-ND2 3.42Å; H429-N433 PolarHBondContact ND1-ND2 3.43Å; H429-N433 WeakPolarHBondContact O-CB 3.48Å; H429-N433 PolarHBondContact O-N 3.08Å; I430-N433 WeakPolarHBondContact CA-O 3.44Å; I430-N433 PolarHBondContact O-N 3.36Å
434	D	95.9	Very high	94.6	Very high	37 Å²	37	32.3 Å²	32.3	20%	0.198	15%	0.151	C	C	.	.			trans	-140.6	114	-176.4	176.6	17.4	0	0	0	107.9	N400 R401 I402 I430	N400-D434 CarbonylContact C-O 3.53Å; N400-D434 WeakPolarHBondContact CA-O 3.26Å; N400-D434 PolarHBondContact OD1-N 3.4Å; N400-D434 PolarHBondContact OD1-O 3.12Å; R401-D434 HydrophobicContact CB-CB 4.22Å; R401-D434 WeakPolarHBondContact CB-O 3.14Å; R401-D434 WeakPolarHBondContact CD-OD1 3.4Å; R401-D434 WeakPolarHBondContact CD-OD2 3.42Å; R401-D434 WeakPolarHBondContact CG-O 3.39Å; R401-D434 IonicContact CZ-OD1 3.79Å; R401-D434 PolarHBondContact N-O 3.07Å; R401-D434 IonicContact NE-OD1 3.44Å; R401-D434 IonicContact NH1-OD1 2.67Å; R401-D434 PolarHBondContact NH1-OD1 3.07Å; I402-D434 HydrophobicContact CD1-CB 3.79Å; I402-D434 HydrophobicContact CG1-CB 3.76Å; I430-D434 HydrophobicContact CG2-CB 4.4Å
435	S	95.9	Very high	94.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-173.1	169.3	176.7	68.2	0	0	0	0	110.9	H396 L399 I437 V438 D439	H396-S435 PolarHBondContact ND1-OG 2.96Å; H396-S435 PolarHBondContact O-OG 3.35Å; L399-S435 WeakPolarHBondContact O-CB 3.33Å; S435-I437 PolarHBondContact O-N 3.22Å; S435-V438 WeakPolarHBondContact O-CA 3.38Å; S435-V438 WeakPolarHBondContact O-CB 3.47Å; S435-V438 PolarHBondContact O-N 2.92Å; S435-D439 VanDerWaalsContact O-CG 3.27Å; S435-D439 PolarHBondContact O-N 2.84Å; S435-D439 VanDerWaalsContact O-N 3.07Å
436	I	94.9	Very high	94.7	Very high	8 Å²	8	32.7 Å²	32.7	4%	0.041	15%	0.149	C	C	.	.	H	α-helix	trans	-47.9	-29.1	175.6	-164.6	61.7	0	0	0	114.8	L316 Y319 L399 D439 I440	L316-I436 HydrophobicContact CD1-CG2 4.43Å; Y319-I436 HydrophobicContact CD1-CB 4.44Å; Y319-I436 HydrophobicContact CD1-CG1 4.11Å; Y319-I436 HydrophobicContact CD1-CG2 4.11Å; Y319-I436 HydrophobicContact CD2-CB 4.07Å; Y319-I436 HydrophobicContact CD2-CD1 3.83Å; Y319-I436 HydrophobicContact CD2-CG1 3.72Å; Y319-I436 HydrophobicContact CE1-CB 4.19Å; Y319-I436 HydrophobicContact CE1-CG1 4.37Å; Y319-I436 HydrophobicContact CE1-CG2 3.64Å; Y319-I436 HydrophobicContact CE2-CB 3.78Å; Y319-I436 HydrophobicContact CE2-CD1 4.31Å; Y319-I436 HydrophobicContact CE2-CG1 3.99Å; Y319-I436 HydrophobicContact CE2-CG2 4.12Å; Y319-I436 HydrophobicContact CG-CB 4.37Å; Y319-I436 HydrophobicContact CG-CD1 4.18Å; Y319-I436 HydrophobicContact CG-CG1 3.77Å; L399-I436 HydrophobicContact CD1-CG2 3.95Å; I436-D439 WeakPolarHBondContact CA-OD2 3.44Å; I436-D439 PolarHBondContact N-OD2 3.37Å; I436-I440 HydrophobicContact CD1-CD1 3.82Å; I436-I440 HydrophobicContact CD1-CG1 4.18Å; I436-I440 HydrophobicContact CG1-CD1 3.68Å; I436-I440 HydrophobicContact CG1-CG1 4.34Å; I436-I440 WeakPolarHBondContact O-CB 3.35Å; I436-I440 VanDerWaalsContact O-CG1 3.24Å; I436-I440 WeakPolarHBondContact O-CG1 3.39Å; I436-I440 PolarHBondContact O-N 2.84Å
437	I	96.4	Very high	94.8	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-73.8	-34	176.5	-58.2	-57.7	0	0	0	111.7	L316 L392 L395 H396 S435 F441 H442	L316-I437 HydrophobicContact CD1-CD1 3.73Å; L392-I437 HydrophobicContact CB-CG2 4.46Å; L392-I437 HydrophobicContact CD2-CG2 4.26Å; L395-I437 HydrophobicContact CB-CD1 3.94Å; L395-I437 HydrophobicContact CB-CG1 3.87Å; L395-I437 HydrophobicContact CD1-CD1 4.43Å; H396-I437 HydrophobicContact CB-CB 3.94Å; H396-I437 HydrophobicContact CB-CG1 4.29Å; H396-I437 HydrophobicContact CB-CG2 4Å; S435-I437 PolarHBondContact O-N 3.22Å; I437-F441 HydrophobicContact CB-CD2 4.49Å; I437-F441 HydrophobicContact CD1-CD2 4.19Å; I437-F441 HydrophobicContact CD1-CE2 3.95Å; I437-F441 HydrophobicContact CG2-CD2 3.96Å; I437-F441 WeakPolarHBondContact O-CB 3.35Å; I437-F441 PolarHBondContact O-N 3.29Å; I437-H442 PolarHBondContact O-CD2 2.97Å
438	V	95.1	Very high	94.8	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.018	12%	0.121	C	C	.	.	H	α-helix	trans	-67.6	-49.2	172.2	-172.1	0	0	0	0	109.5	H396 W426 I430 S435 I440 H442	H396-V438 VanDerWaalsContact CE1-CG2 3.44Å; H396-V438 WeakPolarHBondContact CE1-CG2 3.46Å; H396-V438 WeakPolarHBondContact ND1-CG2 3.18Å; W426-V438 HydrophobicContact CH2-CG1 4.24Å; W426-V438 HydrophobicContact CZ2-CG1 4.48Å; I430-V438 HydrophobicContact CD1-CG1 3.77Å; S435-V438 WeakPolarHBondContact O-CA 3.38Å; S435-V438 WeakPolarHBondContact O-CB 3.47Å; S435-V438 PolarHBondContact O-N 2.92Å; V438-I440 VanDerWaalsContact C-N 3.29Å; V438-I440 PolarHBondContact O-N 3.29Å; V438-H442 HydrophobicContact CB-CB 4.46Å; V438-H442 HydrophobicContact CG1-CB 3.86Å; V438-H442 WeakPolarHBondContact O-CB 3.26Å; V438-H442 PolarHBondContact O-N 2.8Å; V438-H442 VanDerWaalsContact O-N 3.08Å
439	D	93.3	Very high	94.9	Very high	54 Å²	54	24.9 Å²	24.9	29%	0.289	12%	0.119	S	C	.	.	H	α-helix	trans	-56	-41.6	-178.9	-49.7	-20.1	0	0	0	112.1	R401 S435 I436 P835	R401-D439 IonicContact CZ-OD2 2.68Å; R401-D439 VanDerWaalsContact CZ-OD2 3.28Å; R401-D439 IonicContact NH1-OD1 3.36Å; R401-D439 PolarHBondContact NH1-OD1 2.88Å; R401-D439 VanDerWaalsContact NH1-OD1 3.1Å; R401-D439 IonicContact NH1-OD2 2.73Å; R401-D439 PolarHBondContact NH1-OD2 3.13Å; R401-D439 IonicContact NH2-OD2 2.66Å; R401-D439 PolarHBondContact NH2-OD2 2.93Å; S435-D439 VanDerWaalsContact O-CG 3.27Å; S435-D439 PolarHBondContact O-N 2.84Å; S435-D439 VanDerWaalsContact O-N 3.07Å; I436-D439 WeakPolarHBondContact CA-OD2 3.44Å; I436-D439 PolarHBondContact N-OD2 3.37Å; D439-P835 WeakPolarHBondContact O-CG 3.49Å
440	I	94.7	Very high	95	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-88.7	-41.2	-175.8	-65.7	174.5	0	0	0	113.3	I313 P315 L316 I436 V438 P835 V836 F948	I313-I440 HydrophobicContact CG2-CG2 4.28Å; P315-I440 HydrophobicContact CB-CD1 3.84Å; P315-I440 HydrophobicContact CB-CG1 4.23Å; L316-I440 HydrophobicContact CB-CD1 3.81Å; L316-I440 HydrophobicContact CD1-CD1 4.2Å; I436-I440 HydrophobicContact CD1-CD1 3.82Å; I436-I440 HydrophobicContact CD1-CG1 4.18Å; I436-I440 HydrophobicContact CG1-CD1 3.68Å; I436-I440 HydrophobicContact CG1-CG1 4.34Å; I436-I440 WeakPolarHBondContact O-CB 3.35Å; I436-I440 VanDerWaalsContact O-CG1 3.24Å; I436-I440 WeakPolarHBondContact O-CG1 3.39Å; I436-I440 PolarHBondContact O-N 2.84Å; V438-I440 VanDerWaalsContact C-N 3.29Å; V438-I440 PolarHBondContact O-N 3.29Å; I440-P835 WeakPolarHBondContact O-CD 3.38Å; I440-V836 HydrophobicContact CG2-CB 3.73Å; I440-V836 HydrophobicContact CG2-CG2 3.51Å; I440-V836 PolarHBondContact O-N 2.85Å; I440-F948 HydrophobicContact CG1-CE1 3.76Å; I440-F948 HydrophobicContact CG1-CZ 4.19Å
441	F	96.3	Very high	95.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-116.1	-14.1	-164.6	-61	-84.5	0	0	0	115.7	L310 I313 L316 L392 I437 G443 C465 P834 V836 V838	L310-F441 HydrophobicContact CD2-CZ 4.12Å; I313-F441 HydrophobicContact CD1-CE1 3.7Å; I313-F441 HydrophobicContact CD1-CZ 3.55Å; I313-F441 HydrophobicContact CG2-CZ 4.48Å; L316-F441 HydrophobicContact CD2-CE2 4.17Å; L316-F441 HydrophobicContact CD2-CZ 4.14Å; L392-F441 HydrophobicContact CD2-CD1 4.2Å; L392-F441 HydrophobicContact CD2-CD2 3.82Å; L392-F441 HydrophobicContact CD2-CE1 4.11Å; L392-F441 HydrophobicContact CD2-CE2 3.73Å; L392-F441 HydrophobicContact CD2-CG 4.05Å; L392-F441 HydrophobicContact CD2-CZ 3.87Å; I437-F441 HydrophobicContact CB-CD2 4.49Å; I437-F441 HydrophobicContact CD1-CD2 4.19Å; I437-F441 HydrophobicContact CD1-CE2 3.95Å; I437-F441 HydrophobicContact CG2-CD2 3.96Å; I437-F441 WeakPolarHBondContact O-CB 3.35Å; I437-F441 PolarHBondContact O-N 3.29Å; F441-G443 PolarHBondContact O-N 2.82Å; F441-C465 HydrophobicContact CB-CB 4.28Å; F441-C465 WeakPolarHBondContact O-CA 3.37Å; F441-P834 VanDerWaalsContact O-CB 3.27Å; F441-P834 WeakPolarHBondContact O-CB 3.45Å; F441-P834 WeakPolarHBondContact O-CG 3.46Å; F441-V836 HydrophobicContact CD1-CB 4.06Å; F441-V836 HydrophobicContact CD1-CG1 4.01Å; F441-V836 HydrophobicContact CE1-CB 4.04Å; F441-V836 HydrophobicContact CE1-CG1 3.67Å; F441-V838 HydrophobicContact CD1-CG2 3.8Å; F441-V838 HydrophobicContact CE1-CG2 3.88Å
442	H	95.8	Very high	95.2	Very high	27 Å²	27	23.3 Å²	23.3	13%	0.125	12%	0.122	C	C	.	.			trans	-87.7	117.7	-171.4	-75.9	-137.8	0	0	0	113.3	W426 H429 I437 V438 F464	W426-H442 HydrophobicContact CH2-CB 3.81Å; W426-H442 WeakPolarHBondContact CH2-O 3.41Å; W426-H442 HydrophobicContact CZ3-CB 4.21Å; H429-H442 AromaticContact CE1-CE1 3.75Å; H429-H442 AromaticContact CE1-ND1 3.38Å; H429-H442 PolarHBondContact CE1-ND1 2.83Å; H429-H442 AromaticContact NE2-CE1 3.78Å; H429-H442 AromaticContact NE2-ND1 3.08Å; H429-H442 PolarHBondContact NE2-ND1 2.98Å; I437-H442 PolarHBondContact O-CD2 2.97Å; V438-H442 HydrophobicContact CB-CB 4.46Å; V438-H442 HydrophobicContact CG1-CB 3.86Å; V438-H442 WeakPolarHBondContact O-CB 3.26Å; V438-H442 PolarHBondContact O-N 2.8Å; V438-H442 VanDerWaalsContact O-N 3.08Å; H442-F464 CarbonylContact C-O 3.55Å; H442-F464 VanDerWaalsContact CA-O 3.3Å; H442-F464 WeakPolarHBondContact CA-O 3.33Å
443	G	94.9	Very high	95.3	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-176.7	163.8	0	0	0	0	0	112.1	F441 P463 F464 S832	F441-G443 PolarHBondContact O-N 2.82Å; G443-P463 VanDerWaalsContact O-CA 3.31Å; G443-P463 WeakPolarHBondContact O-CA 3.41Å; G443-F464 VanDerWaalsContact C-CD1 3.44Å; G443-F464 PolarHBondContact N-O 3.26Å; G443-F464 PolarHBondContact O-N 2.98Å; G443-S832 WeakPolarHBondContact CA-O 3.3Å
444	L	95.3	Very high	95.3	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.016	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	131.5	179.2	-164	70.5	0	0	0	110.7	A422 W426 F461 P463 F464 W831 S832	A422-L444 HydrophobicContact CB-CD2 3.89Å; W426-L444 HydrophobicContact CE3-CD1 4.32Å; L444-F461 HydrophobicContact CD1-CB 4.21Å; L444-F461 HydrophobicContact CD2-CB 4Å; L444-F461 HydrophobicContact CD2-CD1 4.01Å; L444-F461 HydrophobicContact CD2-CG 4.41Å; L444-F461 HydrophobicContact CG-CB 4.12Å; L444-F461 HydrophobicContact CG-CD1 4.32Å; L444-P463 HydrophobicContact CD1-CB 4.48Å; L444-F464 VanDerWaalsContact N-CE1 3.32Å; L444-W831 HydrophobicContact CD2-CG 4.42Å; L444-W831 WeakPolarHBondContact O-CB 3.28Å; L444-W831 PolarHBondContact O-N 3.33Å; L444-S832 VanDerWaalsContact CB-OG 3.27Å; L444-S832 WeakPolarHBondContact CB-OG 3.33Å; L444-S832 PolarHBondContact N-O 3.29Å; L444-S832 PolarHBondContact N-OG 2.66Å; L444-S832 PolarHBondContact O-N 3.03Å; L444-S832 VanDerWaalsContact O-N 3.15Å
445	F	94.9	Very high	95.2	Very high	35 Å²	35	27.1 Å²	27.1	15%	0.154	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	148.9	169.5	62.2	-114.6	0	0	0	111.8	S447 F461 D462 F464 L828 D829	F445-S447 WeakPolarHBondContact CE2-OG 3.34Å; F445-F461 CarbonylContact O-C 3.6Å; F445-F461 WeakPolarHBondContact O-CA 3.32Å; F445-D462 HydrophobicContact CD2-CB 4.12Å; F445-D462 HydrophobicContact CE2-CB 3.57Å; F445-D462 HydrophobicContact CZ-CB 3.96Å; F445-D462 PolarHBondContact N-O 2.82Å; F445-D462 PolarHBondContact O-N 3.45Å; F445-F464 HydrophobicContact CB-CD1 4.35Å; F445-F464 HydrophobicContact CD1-CB 3.84Å; F445-F464 AromaticContact CD1-CD1 3.63Å; F445-F464 HydrophobicContact CD1-CD1 3.63Å; F445-F464 HydrophobicContact CD1-CG 4.04Å; F445-F464 HydrophobicContact CE1-CB 3.8Å; F445-F464 HydrophobicContact CE1-CD1 4.45Å; F445-F464 HydrophobicContact CE1-CG 4.49Å; F445-F464 HydrophobicContact CG-CD1 4.41Å; F445-L828 HydrophobicContact CD2-CD2 3.63Å; F445-L828 HydrophobicContact CE2-CD2 3.71Å; F445-L828 HydrophobicContact CG-CD2 4.38Å; F445-D829 CarbonylContact C-O 3.47Å; F445-D829 VanDerWaalsContact CA-O 3.32Å; F445-D829 WeakPolarHBondContact CA-O 3.28Å; F445-D829 WeakPolarHBondContact CB-O 3.34Å
446	K	95.5	Very high	95.1	Very high	28 Å²	28	28.7 Å²	28.7	12%	0.122	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	110.6	171.8	-177.9	-175.3	178.7	178.8	0	109.5	D418 V459 T460 F461 D829 I872	D418-K446 WeakPolarHBondContact OD1-CE 3.13Å; D418-K446 IonicContact OD1-NZ 3.95Å; D418-K446 PolarHBondContact OD1-NZ 2.86Å; D418-K446 IonicContact OD2-NZ 3.9Å; D418-K446 PolarHBondContact OD2-NZ 2.81Å; K446-V459 HydrophobicContact CD-CG1 4.31Å; K446-V459 HydrophobicContact CG-CG1 3.89Å; K446-T460 CarbonylContact C-O 3.58Å; K446-T460 WeakPolarHBondContact CA-O 3.48Å; K446-F461 HydrophobicContact CB-CD1 3.95Å; K446-F461 HydrophobicContact CB-CE1 3.55Å; K446-F461 HydrophobicContact CB-CZ 3.95Å; K446-F461 HydrophobicContact CD-CE1 4.12Å; K446-F461 HydrophobicContact CD-CE2 4.44Å; K446-F461 HydrophobicContact CD-CZ 3.73Å; K446-F461 HydrophobicContact CG-CD1 4.39Å; K446-F461 HydrophobicContact CG-CE1 3.81Å; K446-F461 HydrophobicContact CG-CE2 4.1Å; K446-F461 HydrophobicContact CG-CZ 3.64Å; K446-D829 HydrophobicContact CB-CB 4.23Å; K446-D829 PolarHBondContact N-O 3.25Å; K446-D829 PolarHBondContact O-N 2.85Å; K446-I872 HydrophobicContact CB-CD1 4.07Å; K446-I872 HydrophobicContact CD-CD1 3.46Å; K446-I872 VanDerWaalsContact CD-CD1 3.46Å; K446-I872 HydrophobicContact CG-CD1 4.42Å
447	S	95.1	Very high	95.1	Very high	8 Å²	8	31.9 Å²	31.9	6%	0.056	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	118.8	169.3	-71.3	0	0	0	0	110.5	F445 V459 T460 D462	F445-S447 WeakPolarHBondContact CE2-OG 3.34Å; S447-V459 VanDerWaalsContact O-CA 3.3Å; S447-V459 WeakPolarHBondContact O-CA 3.34Å; S447-T460 WeakPolarHBondContact CB-OG1 3.49Å; S447-T460 PolarHBondContact N-O 2.98Å; S447-T460 PolarHBondContact O-N 3.39Å; S447-D462 WeakPolarHBondContact CB-OD2 3.44Å; S447-D462 PolarHBondContact OG-OD2 3.5Å
448	T	95.3	Very high	94.9	Very high	28 Å²	28	32.6 Å²	32.6	17%	0.172	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	114.7	168.7	-58.2	0	0	0	0	110.3	V450 V457 V459 K826 K827	T448-V450 HydrophobicContact CG2-CG2 4.4Å; T448-V457 HydrophobicContact CG2-CG1 3.9Å; T448-V459 HydrophobicContact CG2-CG2 4.33Å; T448-K826 CarbonylContact O-C 3.49Å; T448-K826 WeakPolarHBondContact O-CA 3.35Å; T448-K827 PolarHBondContact N-O 3.31Å; T448-K827 PolarHBondContact O-N 3.02Å
449	L	95	Very high	94.9	Very high	24 Å²	24	33.3 Å²	33.3	13%	0.126	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.9	179.4	-77.4	158.5	0	0	0	110.4	V457 S458 L807 W813 A824 T825 K826	L449-V457 CarbonylContact O-C 3.58Å; L449-V457 WeakPolarHBondContact O-CA 3.2Å; L449-S458 PolarHBondContact N-O 2.85Å; L449-S458 PolarHBondContact O-N 2.97Å; L449-L807 HydrophobicContact CD2-CD1 4.08Å; L449-W813 HydrophobicContact CD1-CG 4.25Å; L449-W813 HydrophobicContact CD2-CB 4.47Å; L449-W813 HydrophobicContact CD2-CG 4.43Å; L449-A824 HydrophobicContact CD2-CB 4.09Å; L449-T825 WeakPolarHBondContact CA-O 3.28Å; L449-K826 HydrophobicContact CD2-CB 3.81Å; L449-K826 HydrophobicContact CD2-CG 3.99Å
450	V	96.2	Very high	95	Very high	35 Å²	35	32.6 Å²	32.6	21%	0.212	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.7	179.6	-168.1	0	0	0	0	111.3	T448 K456 V457 A824 T825	T448-V450 HydrophobicContact CG2-CG2 4.4Å; V450-K456 WeakPolarHBondContact CA-O 3.39Å; V450-V457 HydrophobicContact CG1-CG2 4.38Å; V450-V457 HydrophobicContact CG2-CG1 4.4Å; V450-V457 HydrophobicContact CG2-CG2 4.23Å; V450-A824 WeakPolarHBondContact O-CA 3.39Å; V450-A824 WeakPolarHBondContact O-CB 3.28Å; V450-T825 PolarHBondContact N-O 3.47Å; V450-T825 PolarHBondContact O-N 2.98Å; V450-T825 VanDerWaalsContact O-N 3.08Å
451	C	95.4	Very high	95	Very high	2 Å²	2	33 Å²	33	1%	0.014	20%	0.201	C	C	.	.			trans	-73	127.1	178.1	-170.3	0	0	0	0	112.1	V453 A455 K456 W813	C451-V453 VanDerWaalsContact C-N 3.27Å; C451-V453 PolarHBondContact O-N 3.24Å; C451-A455 VanDerWaalsContact O-CA 3.28Å; C451-A455 WeakPolarHBondContact O-CA 3.23Å; C451-A455 PolarHBondContact O-N 3.35Å; C451-A455 VanDerWaalsContact O-N 3.12Å; C451-K456 HydrophobicContact CB-CB 4.45Å; C451-K456 PolarHBondContact N-O 3.09Å; C451-W813 HydrophobicContact CB-CZ3 4.01Å
452	P	94.8	Very high	94.8	Very high	87 Å²	87	34.9 Å²	34.9	57%	0.565	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-18.1	177.4	30.9	-37.2	0	0	0	113.5	Q822	P452-Q822 HydrophobicContact CG-CB 4.49Å
453	V	95.3	Very high	94.8	Very high	99 Å²	99	36.1 Å²	36.1	60%	0.6	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94	-46.9	-175.1	178.6	0	0	0	0	112.5	C451	C451-V453 VanDerWaalsContact C-N 3.27Å; C451-V453 PolarHBondContact O-N 3.24Å
454	C	95.3	Very high	94.9	Very high	53 Å²	53	36.8 Å²	36.8	36%	0.358	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	6.9	-175.3	70.4	0	0	0	0	114.4	K456 C815	C454-K456 PolarHBondContact O-N 2.91Å; C454-C815 VanDerWaalsContact SG-SG 3.61Å
455	A	94.9	Very high	94.9	Very high	76 Å²	76	38 Å²	38	63%	0.628	23%	0.233	S	C	*	.			trans	54.9	8.4	-177.3	0	0	0	0	0	116.2	C451 V457	C451-A455 VanDerWaalsContact O-CA 3.28Å; C451-A455 WeakPolarHBondContact O-CA 3.23Å; C451-A455 PolarHBondContact O-N 3.35Å; C451-A455 VanDerWaalsContact O-N 3.12Å; A455-V457 PolarHBondContact O-N 2.98Å; A455-V457 VanDerWaalsContact O-N 3.13Å
456	K	93.3	Very high	94.9	Very high	33 Å²	33	39.5 Å²	39.5	14%	0.143	24%	0.239	C	C	.	.			trans	-56.2	122.7	173	172.1	168.2	167.9	55.1	0	109.3	D412 V450 C451 C454 P816 N817	D412-K456 WeakPolarHBondContact OD2-CE 3.27Å; D412-K456 IonicContact OD2-NZ 3.55Å; D412-K456 PolarHBondContact OD2-NZ 2.81Å; V450-K456 WeakPolarHBondContact CA-O 3.39Å; C451-K456 HydrophobicContact CB-CB 4.45Å; C451-K456 PolarHBondContact N-O 3.09Å; C454-K456 PolarHBondContact O-N 2.91Å; K456-P816 HydrophobicContact CD-CG 4.25Å; K456-N817 WeakPolarHBondContact CD-OD1 3.35Å
457	V	94.3	Very high	95	Very high	75 Å²	75	38.3 Å²	38.3	46%	0.455	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	137	160.2	-170.4	0	0	0	0	108.4	T448 L449 V450 A455 V459	T448-V457 HydrophobicContact CG2-CG1 3.9Å; L449-V457 CarbonylContact O-C 3.58Å; L449-V457 WeakPolarHBondContact O-CA 3.2Å; V450-V457 HydrophobicContact CG1-CG2 4.38Å; V450-V457 HydrophobicContact CG2-CG1 4.4Å; V450-V457 HydrophobicContact CG2-CG2 4.23Å; A455-V457 PolarHBondContact O-N 2.98Å; A455-V457 VanDerWaalsContact O-N 3.13Å; V457-V459 HydrophobicContact CG1-CG2 4.02Å
458	S	93.4	Very high	95	Very high	15 Å²	15	39.8 Å²	39.8	11%	0.105	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.7	164.2	-119.3	0	0	0	0	107.7	D412 L449	D412-S458 VanDerWaalsContact CG-OG 3.25Å; D412-S458 WeakPolarHBondContact OD1-CA 3.31Å; D412-S458 PolarHBondContact OD1-OG 2.91Å; D412-S458 PolarHBondContact OD2-OG 3.35Å; L449-S458 PolarHBondContact N-O 2.85Å; L449-S458 PolarHBondContact O-N 2.97Å
459	V	95	Very high	95	Very high	18 Å²	18	38.5 Å²	38.5	11%	0.109	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	122	176.3	175.4	0	0	0	0	108.5	D412 A413 K446 S447 T448 V457 F461	D412-V459 PolarHBondContact OD1-N 3.14Å; A413-V459 HydrophobicContact CB-CB 3.76Å; A413-V459 HydrophobicContact CB-CG1 4.07Å; A413-V459 PolarHBondContact N-O 3.44Å; K446-V459 HydrophobicContact CD-CG1 4.31Å; K446-V459 HydrophobicContact CG-CG1 3.89Å; S447-V459 VanDerWaalsContact O-CA 3.3Å; S447-V459 WeakPolarHBondContact O-CA 3.34Å; T448-V459 HydrophobicContact CG2-CG2 4.33Å; V457-V459 HydrophobicContact CG1-CG2 4.02Å; V459-F461 HydrophobicContact CG1-CD2 4.47Å; V459-F461 HydrophobicContact CG1-CE2 3.97Å
460	T	93.6	Very high	94.9	Very high	38 Å²	38	39.3 Å²	39.3	23%	0.233	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	157.6	169.8	53.5	0	0	0	0	109.5	K446 S447 D462	K446-T460 CarbonylContact C-O 3.58Å; K446-T460 WeakPolarHBondContact CA-O 3.48Å; S447-T460 WeakPolarHBondContact CB-OG1 3.49Å; S447-T460 PolarHBondContact N-O 2.98Å; S447-T460 PolarHBondContact O-N 3.39Å; T460-D462 WeakPolarHBondContact CB-OD1 3.46Å; T460-D462 PolarHBondContact OG1-OD1 3.11Å; T460-D462 PolarHBondContact OG1-OD2 3.01Å
461	F	94.9	Very high	94.5	Very high	9 Å²	9	38 Å²	38	4%	0.039	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.4	169.4	-75.2	-96.4	0	0	0	106.6	D418 V421 A422 A425 L444 F445 K446 V459 W831	D418-F461 HydrophobicContact CB-CE2 4.42Å; D418-F461 HydrophobicContact CB-CZ 3.81Å; V421-F461 HydrophobicContact CB-CD2 4.01Å; V421-F461 HydrophobicContact CB-CE2 4.01Å; V421-F461 HydrophobicContact CG1-CD2 3.78Å; V421-F461 HydrophobicContact CG1-CE2 4.18Å; A422-F461 HydrophobicContact CB-CD1 3.63Å; A422-F461 HydrophobicContact CB-CD2 4.38Å; A422-F461 HydrophobicContact CB-CE1 3.76Å; A422-F461 HydrophobicContact CB-CE2 4.49Å; A422-F461 HydrophobicContact CB-CG 3.95Å; A422-F461 HydrophobicContact CB-CZ 4.2Å; A425-F461 HydrophobicContact CB-CB 3.65Å; A425-F461 WeakPolarHBondContact CB-O 3.46Å; L444-F461 HydrophobicContact CD1-CB 4.21Å; L444-F461 HydrophobicContact CD2-CB 4Å; L444-F461 HydrophobicContact CD2-CD1 4.01Å; L444-F461 HydrophobicContact CD2-CG 4.41Å; L444-F461 HydrophobicContact CG-CB 4.12Å; L444-F461 HydrophobicContact CG-CD1 4.32Å; F445-F461 CarbonylContact O-C 3.6Å; F445-F461 WeakPolarHBondContact O-CA 3.32Å; K446-F461 HydrophobicContact CB-CD1 3.95Å; K446-F461 HydrophobicContact CB-CE1 3.55Å; K446-F461 HydrophobicContact CB-CZ 3.95Å; K446-F461 HydrophobicContact CD-CE1 4.12Å; K446-F461 HydrophobicContact CD-CE2 4.44Å; K446-F461 HydrophobicContact CD-CZ 3.73Å; K446-F461 HydrophobicContact CG-CD1 4.39Å; K446-F461 HydrophobicContact CG-CE1 3.81Å; K446-F461 HydrophobicContact CG-CE2 4.1Å; K446-F461 HydrophobicContact CG-CZ 3.64Å; V459-F461 HydrophobicContact CG1-CD2 4.47Å; V459-F461 HydrophobicContact CG1-CE2 3.97Å; F461-W831 HydrophobicContact CD1-CB 4.16Å; F461-W831 HydrophobicContact CD1-CD2 4.33Å; F461-W831 HydrophobicContact CD1-CG 4.05Å; F461-W831 HydrophobicContact CE1-CB 4.01Å; F461-W831 AromaticContact CE1-CD2 3.6Å; F461-W831 HydrophobicContact CE1-CD2 3.6Å; F461-W831 AromaticContact CE1-CE3 3.61Å; F461-W831 HydrophobicContact CE1-CE3 3.61Å; F461-W831 AromaticContact CE1-CG 3.75Å; F461-W831 HydrophobicContact CE1-CG 3.75Å; F461-W831 HydrophobicContact CE1-CZ3 4.41Å; F461-W831 HydrophobicContact CZ-CD2 4.43Å; F461-W831 HydrophobicContact CZ-CE3 4.13Å
462	D	93.4	Very high	93.7	Very high	39 Å²	39	39.7 Å²	39.7	21%	0.209	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	134.7	-167.9	-42.7	-73.7	0	0	0	109.2	F445 S447 T460	F445-D462 HydrophobicContact CD2-CB 4.12Å; F445-D462 HydrophobicContact CE2-CB 3.57Å; F445-D462 HydrophobicContact CZ-CB 3.96Å; F445-D462 PolarHBondContact N-O 2.82Å; F445-D462 PolarHBondContact O-N 3.45Å; S447-D462 WeakPolarHBondContact CB-OD2 3.44Å; S447-D462 PolarHBondContact OG-OD2 3.5Å; T460-D462 WeakPolarHBondContact CB-OD1 3.46Å; T460-D462 PolarHBondContact OG1-OD1 3.11Å; T460-D462 PolarHBondContact OG1-OD2 3.01Å
463	P	95	Very high	92.4	Very high	54 Å²	54	40.2 Å²	40.2	35%	0.351	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	153.6	-175.2	31.8	-35.9	0	0	0	112.3	G443 L444	G443-P463 VanDerWaalsContact O-CA 3.31Å; G443-P463 WeakPolarHBondContact O-CA 3.41Å; L444-P463 HydrophobicContact CD1-CB 4.48Å
464	F	96.3	Very high	91	Very high	13 Å²	13	40.6 Å²	40.6	6%	0.057	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	145	176.4	72.7	-90.3	0	0	0	112.1	H442 G443 L444 F445 L467 L830 L833 L837	H442-F464 CarbonylContact C-O 3.55Å; H442-F464 VanDerWaalsContact CA-O 3.3Å; H442-F464 WeakPolarHBondContact CA-O 3.33Å; G443-F464 VanDerWaalsContact C-CD1 3.44Å; G443-F464 PolarHBondContact N-O 3.26Å; G443-F464 PolarHBondContact O-N 2.98Å; L444-F464 VanDerWaalsContact N-CE1 3.32Å; F445-F464 HydrophobicContact CB-CD1 4.35Å; F445-F464 HydrophobicContact CD1-CB 3.84Å; F445-F464 AromaticContact CD1-CD1 3.63Å; F445-F464 HydrophobicContact CD1-CD1 3.63Å; F445-F464 HydrophobicContact CD1-CG 4.04Å; F445-F464 HydrophobicContact CE1-CB 3.8Å; F445-F464 HydrophobicContact CE1-CD1 4.45Å; F445-F464 HydrophobicContact CE1-CG 4.49Å; F445-F464 HydrophobicContact CG-CD1 4.41Å; F464-L467 HydrophobicContact CD2-CD2 3.73Å; F464-L467 HydrophobicContact CD2-CG 4.25Å; F464-L467 HydrophobicContact CE1-CD2 4.43Å; F464-L467 HydrophobicContact CE2-CD2 3.6Å; F464-L467 HydrophobicContact CE2-CG 3.86Å; F464-L467 HydrophobicContact CG-CD2 4.24Å; F464-L467 HydrophobicContact CZ-CD2 3.97Å; F464-L467 HydrophobicContact CZ-CG 4.45Å; F464-L830 HydrophobicContact CE1-CD2 4.49Å; F464-L833 HydrophobicContact CZ-CD2 3.84Å; F464-L837 HydrophobicContact CE2-CD1 4.05Å
465	C	95.2	Very high	89.7	Confident	28 Å²	28	46.9 Å²	46.9	19%	0.189	25%	0.254	C	S	.	.	S	Bend	trans	-104.7	-6.5	173.6	54.9	0	0	0	0	114.2	L392 F441	L392-C465 HydrophobicContact CD1-CB 4.47Å; F441-C465 HydrophobicContact CB-CB 4.28Å; F441-C465 WeakPolarHBondContact O-CA 3.37Å
466	Y	96.6	Very high	89	Confident	68 Å²	68	48.8 Å²	48.8	27%	0.267	25%	0.25	S	S	.	.			trans	-159.5	159.6	172.9	55.2	-98	0	0	0	111.1	H385 A389 L392 V838	H385-Y466 AromaticContact CE1-CE2 3.65Å; H385-Y466 AromaticContact NE2-CD2 3.38Å; H385-Y466 WeakPolarHBondContact NE2-CD2 3.4Å; H385-Y466 AromaticContact NE2-CE2 3.17Å; H385-Y466 WeakPolarHBondContact NE2-CE2 3.27Å; H385-Y466 AromaticContact NE2-CZ 3.75Å; A389-Y466 HydrophobicContact CB-CE1 3.66Å; L392-Y466 HydrophobicContact CD1-CD1 4.25Å; Y466-V838 CarbonylContact C-O 3.51Å; Y466-V838 WeakPolarHBondContact CA-O 3.34Å
467	L	96.4	Very high	88.2	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.8	171.1	-61.9	-178.5	0	0	0	110.4	F464 L469 F801 L830 L837 V838 H840	F464-L467 HydrophobicContact CD2-CD2 3.73Å; F464-L467 HydrophobicContact CD2-CG 4.25Å; F464-L467 HydrophobicContact CE1-CD2 4.43Å; F464-L467 HydrophobicContact CE2-CD2 3.6Å; F464-L467 HydrophobicContact CE2-CG 3.86Å; F464-L467 HydrophobicContact CG-CD2 4.24Å; F464-L467 HydrophobicContact CZ-CD2 3.97Å; F464-L467 HydrophobicContact CZ-CG 4.45Å; L467-L469 HydrophobicContact CB-CD2 4.19Å; L467-F801 HydrophobicContact CD2-CE1 4.03Å; L467-F801 HydrophobicContact CD2-CZ 4.03Å; L467-L830 HydrophobicContact CD1-CD1 4.44Å; L467-L830 HydrophobicContact CD1-CD2 4.22Å; L467-L830 HydrophobicContact CD2-CD2 4Å; L467-L837 HydrophobicContact CD1-CD1 3.94Å; L467-L837 HydrophobicContact CG-CD1 4.07Å; L467-V838 PolarHBondContact N-O 3.04Å; L467-H840 PolarHBondContact O-N 3.05Å
468	T	96.4	Very high	87.8	Confident	38 Å²	38	48.3 Å²	48.3	23%	0.233	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	99.5	169.6	-72	0	0	0	0	109.2	H385 F801 H840 K842	H385-T468 PolarHBondContact NE2-OG1 2.96Å; T468-F801 WeakPolarHBondContact O-CD2 3.39Å; T468-H840 CarbonylContact C-O 3.52Å; T468-H840 WeakPolarHBondContact CA-O 3.38Å; T468-H840 WeakPolarHBondContact CG2-ND1 3.06Å; T468-H840 PolarHBondContact OG1-ND1 2.9Å; T468-K842 HydrophobicContact CG2-CB 3.95Å; T468-K842 HydrophobicContact CG2-CD 3.93Å; T468-K842 HydrophobicContact CG2-CG 4.06Å
469	L	94.8	Very high	87.5	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	131.1	-175.8	-57.6	-176.6	0	0	0	111.9	L467 L794 C797 I798 F801 V839 H840 K842	L467-L469 HydrophobicContact CB-CD2 4.19Å; L469-L794 HydrophobicContact CD1-CD1 3.8Å; L469-C797 HydrophobicContact CB-CB 4.08Å; L469-C797 HydrophobicContact CD1-CB 4.02Å; L469-I798 HydrophobicContact CD1-CG1 3.7Å; L469-I798 HydrophobicContact CD2-CG1 4.23Å; L469-F801 HydrophobicContact CD2-CB 3.67Å; L469-F801 HydrophobicContact CD2-CD1 4.35Å; L469-F801 HydrophobicContact CD2-CD2 4.1Å; L469-F801 HydrophobicContact CD2-CG 3.8Å; L469-V839 HydrophobicContact CD1-CG1 3.38Å; L469-V839 HydrophobicContact CG-CG1 3.77Å; L469-H840 PolarHBondContact N-O 3.44Å; L469-K842 WeakPolarHBondContact O-CB 3.31Å; L469-K842 PolarHBondContact O-N 3.45Å
470	P	91.6	Very high	87.4	Confident	41 Å²	41	51.4 Å²	51.4	27%	0.266	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-72.1	140.4	169.8	31.9	-33.4	0	0	0	110.7	L800	P470-L800 HydrophobicContact CB-CD2 4.1Å; P470-L800 HydrophobicContact CB-CG 4.39Å; P470-L800 HydrophobicContact CG-CB 4.17Å; P470-L800 HydrophobicContact CG-CD2 3.98Å; P470-L800 HydrophobicContact CG-CG 3.77Å
471	L	87.9	Confident	87.4	Confident	8 Å²	8	49.6 Å²	49.6	4%	0.042	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-89	143.9	170.2	-71.9	75.3	0	0	0	109.8	M473 L841 R843 L854 V858	L471-M473 PolarHBondContact O-N 2.87Å; L471-L841 HydrophobicContact CD1-CB 4.13Å; L471-R843 HydrophobicContact CD1-CG 4.42Å; L471-R843 HydrophobicContact CD2-CG 4.21Å; L471-L854 HydrophobicContact CB-CD1 3.89Å; L471-L854 HydrophobicContact CD2-CB 4.1Å; L471-V858 HydrophobicContact CD2-CG2 3.92Å; L471-V858 HydrophobicContact CG-CG2 4.31Å
472	P	79	Confident	87.4	Confident	38 Å²	38	50.7 Å²	50.7	25%	0.247	25%	0.253	C	S	.	.			trans	-61.9	98.6	175.5	-22.8	33	0	0	0	112.7	K474 F792 L800	P472-K474 PolarHBondContact O-N 3.1Å; P472-F792 HydrophobicContact CB-CD1 4.05Å; P472-F792 HydrophobicContact CB-CE1 3.71Å; P472-F792 HydrophobicContact CB-CE2 4.29Å; P472-F792 HydrophobicContact CB-CG 4.47Å; P472-F792 HydrophobicContact CB-CZ 3.83Å; P472-F792 HydrophobicContact CG-CD1 3.82Å; P472-F792 HydrophobicContact CG-CD2 4.35Å; P472-F792 HydrophobicContact CG-CE1 4.03Å; P472-F792 HydrophobicContact CG-CG 3.98Å; P472-F792 HydrophobicContact CG-CZ 4.36Å; P472-F792 VanDerWaalsContact O-CZ 3.3Å; P472-F792 WeakPolarHBondContact O-CZ 3.38Å; P472-L800 HydrophobicContact CB-CD2 4.42Å; P472-L800 HydrophobicContact CG-CD2 4.1Å
473	M	68.8	Low	87.4	Confident	98 Å²	98	48.9 Å²	48.9	48%	0.483	24%	0.243	S	C	.	.			trans	-72.2	126.5	-178.6	-65.2	-174.4	75.8	0	0	111.7	L471 K475 L854	L471-M473 PolarHBondContact O-N 2.87Å; M473-K475 PolarHBondContact O-N 2.83Å; M473-L854 HydrophobicContact CE-CD2 4.46Å; M473-L854 HydrophobicContact CG-CD1 3.97Å
474	K	64.8	Low	87.2	Confident	107 Å²	107	47.5 Å²	47.5	47%	0.465	23%	0.233	S	C	.	.			trans	-60.4	120.9	161.7	-69.3	-160.4	178.1	-161.4	0	108.7	P472 E476	P472-K474 PolarHBondContact O-N 3.1Å; K474-E476 PolarHBondContact O-N 2.62Å
475	K	68.7	Low	86.8	Confident	184 Å²	184	50.7 Å²	50.7	80%	0.8	25%	0.245	S	C	*	.	S	Bend	trans	-71.4	-9	179.3	-63.9	-179.7	-179.2	176	0	113.2	M473 P500 K501	M473-K475 PolarHBondContact O-N 2.83Å; K475-P500 CarbonylContact O-C 3.59Å; K475-P500 WeakPolarHBondContact O-CA 3.37Å; K475-K501 PolarHBondContact O-N 3.33Å
476	E	78.7	Confident	86.3	Confident	117 Å²	117	52.4 Å²	52.4	55%	0.547	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	149.1	-173.7	-66.9	166	-177.9	0	0	110.8	K474 T498 V499	K474-E476 PolarHBondContact O-N 2.62Å; E476-T498 HydrophobicContact CB-CG2 3.84Å; E476-T498 HydrophobicContact CG-CG2 4.24Å; E476-T498 WeakPolarHBondContact OE2-CG2 3.28Å; E476-V499 CarbonylContact C-O 3.46Å; E476-V499 WeakPolarHBondContact CA-O 3.36Å; E476-V499 WeakPolarHBondContact CB-O 3.38Å
477	R	77.3	Confident	85.7	Confident	26 Å²	26	53.4 Å²	53.4	10%	0.098	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	154.4	168.6	63.8	-175	-71.3	-166.6	2.1	109.3	V499 K501 L543 I546	R477-V499 HydrophobicContact CG-CG2 3.71Å; R477-V499 PolarHBondContact N-O 2.88Å; R477-V499 PolarHBondContact O-N 2.96Å; R477-V499 VanDerWaalsContact O-O 3.12Å; R477-K501 HydrophobicContact CB-CG 3.9Å; R477-K501 HydrophobicContact CG-CG 4.4Å; R477-L543 PolarHBondContact NH1-O 3.08Å; R477-I546 PolarHBondContact NH1-O 2.96Å; R477-I546 PolarHBondContact NH2-O 2.84Å
478	T	85.6	Confident	84.8	Confident	71 Å²	71	54.9 Å²	54.9	44%	0.436	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	147.9	163.3	49.3	0	0	0	0	110.5	L497	T478-L497 CarbonylContact C-O 3.59Å; T478-L497 WeakPolarHBondContact CA-O 3.33Å
479	L	88.1	Confident	84	Confident	12 Å²	12	57.5 Å²	57.5	6%	0.063	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.7	168.3	-78.7	176.4	0	0	0	109.2	V481 K496 L497 V499 L508 I546	L479-V481 HydrophobicContact CB-CG1 4.49Å; L479-K496 WeakPolarHBondContact O-CA 3.47Å; L479-L497 PolarHBondContact N-O 3.3Å; L479-L497 PolarHBondContact O-N 2.61Å; L479-V499 HydrophobicContact CD1-CG2 3.92Å; L479-V499 HydrophobicContact CG-CG2 4.26Å; L479-L508 HydrophobicContact CD1-CD1 3.73Å; L479-L508 HydrophobicContact CD1-CG 4.5Å; L479-I546 HydrophobicContact CD1-CD1 4.44Å; L479-I546 HydrophobicContact CD2-CG2 3.84Å
480	E	91.8	Very high	83.5	Confident	86 Å²	86	59.3 Å²	59.3	40%	0.402	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.6	169.1	-69.6	178.8	-158.3	0	0	108	Q494 Y495 K496 M782	E480-Q494 PolarHBondContact OE2-NE2 2.67Å; E480-Y495 WeakPolarHBondContact CA-O 3.49Å; E480-K496 HydrophobicContact CG-CB 4.47Å; E480-K496 HydrophobicContact CG-CD 4.4Å; E480-K496 HydrophobicContact CG-CG 3.98Å; E480-K496 WeakPolarHBondContact OE1-CE 3.46Å; E480-K496 IonicContact OE1-NZ 2.74Å; E480-K496 PolarHBondContact OE1-NZ 2.84Å; E480-M782 HydrophobicContact CG-CE 4.28Å
481	V	94.2	Very high	83.3	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	149.9	-175.8	-53.1	0	0	0	0	110.9	L479 Q494 Y495 L497 L508 L512 I552 V554	L479-V481 HydrophobicContact CB-CG1 4.49Å; V481-Q494 WeakPolarHBondContact O-CA 3.41Å; V481-Y495 PolarHBondContact N-O 2.92Å; V481-Y495 PolarHBondContact O-N 3.47Å; V481-L497 HydrophobicContact CG1-CD1 4.18Å; V481-L497 HydrophobicContact CG2-CD1 3.68Å; V481-L497 HydrophobicContact CG2-CG 4.1Å; V481-L508 HydrophobicContact CG1-CD1 4.44Å; V481-L512 HydrophobicContact CG2-CD1 4.24Å; V481-L512 HydrophobicContact CG2-CD2 4.19Å; V481-I552 CarbonylContact C-O 3.58Å; V481-I552 WeakPolarHBondContact CA-O 3.43Å; V481-I552 HydrophobicContact CB-CB 4.5Å; V481-I552 HydrophobicContact CB-CG2 4.23Å; V481-I552 HydrophobicContact CG1-CB 4.04Å; V481-I552 HydrophobicContact CG1-CG2 3.73Å; V481-V554 HydrophobicContact CB-CG2 4.29Å; V481-V554 HydrophobicContact CG2-CG2 4.37Å
482	Y	94	Very high	83.4	Confident	33 Å²	33	60.8 Å²	60.8	13%	0.129	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	111.5	176.3	-57.9	-83.4	0	0	0	110.3	Q494 I552 Y553 V554 Y776	Y482-Q494 HydrophobicContact CD1-CB 3.87Å; Y482-Q494 HydrophobicContact CD1-CG 3.91Å; Y482-Q494 HydrophobicContact CE1-CB 3.88Å; Y482-Q494 HydrophobicContact CE1-CG 3.62Å; Y482-I552 PolarHBondContact N-O 3.33Å; Y482-Y553 HydrophobicContact CD2-CD1 4.48Å; Y482-Y553 HydrophobicContact CD2-CD2 4.15Å; Y482-Y553 HydrophobicContact CD2-CE1 4.11Å; Y482-Y553 AromaticContact CD2-CE2 3.75Å; Y482-Y553 HydrophobicContact CD2-CE2 3.75Å; Y482-Y553 HydrophobicContact CD2-CG 4.49Å; Y482-Y553 AromaticContact CD2-CZ 3.72Å; Y482-Y553 HydrophobicContact CE2-CE2 4.3Å; Y482-Y553 HydrophobicContact CG-CD1 4.31Å; Y482-Y553 AromaticContact CG-CE1 3.91Å; Y482-Y553 HydrophobicContact CG-CE1 3.91Å; Y482-Y553 HydrophobicContact CG-CE2 4.4Å; Y482-Y553 AromaticContact CG-CZ 3.96Å; Y482-Y553 CarbonylContact O-C 3.5Å; Y482-Y553 WeakPolarHBondContact O-CA 3.42Å; Y482-V554 PolarHBondContact O-N 3.41Å; Y482-Y776 HydrophobicContact CD1-CD2 4.39Å; Y482-Y776 HydrophobicContact CD1-CG 4.47Å; Y482-Y776 HydrophobicContact CE1-CD1 4.41Å; Y482-Y776 HydrophobicContact CE1-CD2 4.01Å; Y482-Y776 HydrophobicContact CE1-CE2 4.09Å; Y482-Y776 HydrophobicContact CE1-CG 4.19Å
483	L	93.6	Very high	84	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	117.1	174.2	176.8	69.2	0	0	0	110	P492 T493 Y495 L512 S516 V518 V554	L483-P492 WeakPolarHBondContact O-CA 3.48Å; L483-T493 PolarHBondContact N-O 2.71Å; L483-T493 PolarHBondContact O-N 2.76Å; L483-Y495 HydrophobicContact CB-CD2 3.95Å; L483-Y495 HydrophobicContact CB-CE2 3.73Å; L483-Y495 HydrophobicContact CD2-CE2 3.77Å; L483-Y495 HydrophobicContact CG-CE2 4.41Å; L483-L512 HydrophobicContact CB-CD2 4.45Å; L483-L512 HydrophobicContact CD1-CD2 4.08Å; L483-S516 VanDerWaalsContact CD2-CB 3.4Å; L483-V518 HydrophobicContact CD2-CG2 4.09Å; L483-V554 CarbonylContact C-O 3.54Å; L483-V554 WeakPolarHBondContact CA-O 3.45Å; L483-V554 HydrophobicContact CD1-CB 4.43Å; L483-V554 HydrophobicContact CD1-CG1 4.43Å
484	V	90.9	Very high	85.2	Confident	26 Å²	26	56 Å²	56	16%	0.158	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	116.1	172.4	-179	0	0	0	0	108.5	P492 Y553 V554 F555 E556 L593	V484-P492 HydrophobicContact CG2-CB 4.25Å; V484-P492 HydrophobicContact CG2-CG 4.4Å; V484-Y553 HydrophobicContact CG2-CD1 3.89Å; V484-V554 PolarHBondContact N-O 3.46Å; V484-F555 HydrophobicContact CB-CD1 3.72Å; V484-F555 HydrophobicContact CB-CE1 3.89Å; V484-F555 HydrophobicContact CB-CG 4.3Å; V484-F555 HydrophobicContact CG1-CD1 3.75Å; V484-F555 HydrophobicContact CG1-CE1 3.8Å; V484-F555 HydrophobicContact CG2-CD1 4.18Å; V484-F555 HydrophobicContact CG2-CE1 3.87Å; V484-F555 HydrophobicContact CG2-CZ 4.13Å; V484-E556 PolarHBondContact O-N 2.64Å; V484-L593 HydrophobicContact CG2-CD2 4.27Å
485	R	88.6	Confident	86.6	Confident	80 Å²	80	51.6 Å²	51.6	30%	0.302	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-74.9	163.7	-179.1	-61.8	-54.6	-53.4	-121.5	4.8	112.5	D487 A490 E556	R485-D487 VanDerWaalsContact C-N 3.26Å; R485-D487 PolarHBondContact O-N 2.75Å; R485-A490 HydrophobicContact CB-CB 4.21Å; R485-E556 WeakPolarHBondContact CA-OE2 3.38Å; R485-E556 IonicContact CZ-OE1 2.68Å; R485-E556 IonicContact CZ-OE2 3.01Å; R485-E556 IonicContact NE-OE1 2.66Å; R485-E556 IonicContact NE-OE2 2.77Å; R485-E556 PolarHBondContact NE-OE2 3.44Å; R485-E556 VanDerWaalsContact NH2-CD 3.33Å; R485-E556 IonicContact NH2-OE1 2.71Å; R485-E556 PolarHBondContact NH2-OE1 2.89Å; R485-E556 IonicContact NH2-OE2 3.22Å; R485-E556 PolarHBondContact NH2-OE2 3.02Å; R485-E556 VanDerWaalsContact NH2-OE2 3.13Å
486	L	84.3	Confident	87.7	Confident	63 Å²	63	45.4 Å²	45.4	33%	0.33	23%	0.234	S	C	.	.	S	Bend	trans	-69.1	-24.2	175.5	-167.2	70.5	0	0	0	112.4	E556 A558 R615	L486-E556 HydrophobicContact CB-CB 4.49Å; L486-E556 HydrophobicContact CB-CG 4.04Å; L486-E556 WeakPolarHBondContact CB-OE2 3.42Å; L486-E556 PolarHBondContact N-OE2 3.13Å; L486-A558 HydrophobicContact CD1-CB 4.06Å; L486-A558 HydrophobicContact CD2-CB 3.95Å; L486-R615 VanDerWaalsContact O-CZ 3.22Å; L486-R615 PolarHBondContact O-NH1 3.04Å; L486-R615 PolarHBondContact O-NH2 2.88Å
487	D	83.9	Confident	88.2	Confident	90 Å²	90	39.9 Å²	39.9	48%	0.481	21%	0.209	S	C	.	.	S	Bend	trans	-71.8	120.2	171.5	-179.1	-8.2	0	0	0	110.4	R485 V489 A490	R485-D487 VanDerWaalsContact C-N 3.26Å; R485-D487 PolarHBondContact O-N 2.75Å; D487-V489 VanDerWaalsContact C-N 3.27Å; D487-V489 PolarHBondContact O-N 3.21Å; D487-V489 WeakPolarHBondContact OD1-CB 3.32Å; D487-V489 PolarHBondContact OD1-N 2.91Å; D487-A490 HydrophobicContact CB-CB 3.98Å
488	P	77.4	Confident	88.8	Confident	34 Å²	34	41.9 Å²	41.9	22%	0.221	22%	0.224	C	C	.	.	S	Bend	trans	-74.8	-8.5	-179.5	33.3	-37.5	0	0	0	114.7	S614 R618	P488-S614 WeakPolarHBondContact CB-O 3.43Å; P488-S614 VanDerWaalsContact CG-O 3.29Å; P488-S614 WeakPolarHBondContact CG-O 3.41Å; P488-R618 WeakPolarHBondContact O-CB 3.31Å
489	V	79.5	Confident	88.9	Confident	93 Å²	93	38.6 Å²	38.6	56%	0.564	20%	0.204	S	C	*	.	S	Bend	trans	-89.7	-33	175.2	-173.2	0	0	0	0	111.1	D487 R618	D487-V489 VanDerWaalsContact C-N 3.27Å; D487-V489 PolarHBondContact O-N 3.21Å; D487-V489 WeakPolarHBondContact OD1-CB 3.32Å; D487-V489 PolarHBondContact OD1-N 2.91Å; V489-R618 PolarHBondContact O-NH1 2.86Å
490	A	84.6	Confident	88.7	Confident	38 Å²	38	40.3 Å²	40.3	31%	0.314	22%	0.216	S	C	.	.	S	Bend	trans	-57.2	143.5	-179.9	0	0	0	0	0	112.4	R485 D487	R485-A490 HydrophobicContact CB-CB 4.21Å; D487-A490 HydrophobicContact CB-CB 3.98Å
491	K	86.8	Confident	87.9	Confident	64 Å²	64	39.5 Å²	39.5	28%	0.278	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-69.8	147.5	171.2	-69.7	169	177.5	-139.3	0	110.1	T493 D775 D777	K491-T493 PolarHBondContact O-N 3.17Å; K491-D775 WeakPolarHBondContact CE-OD1 3.49Å; K491-D775 WeakPolarHBondContact CE-OD2 3.41Å; K491-D775 VanDerWaalsContact NZ-CG 3.28Å; K491-D775 IonicContact NZ-OD1 2.84Å; K491-D775 PolarHBondContact NZ-OD1 2.99Å; K491-D775 IonicContact NZ-OD2 2.7Å; K491-D775 PolarHBondContact NZ-OD2 3.23Å; K491-D775 VanDerWaalsContact NZ-OD2 3.12Å; K491-D777 HydrophobicContact CD-CB 4.49Å; K491-D777 WeakPolarHBondContact CD-OD1 3.49Å; K491-D777 VanDerWaalsContact CD-OD2 3.29Å; K491-D777 WeakPolarHBondContact CD-OD2 3.29Å; K491-D777 IonicContact NZ-OD1 2.68Å
492	P	90.2	Very high	87	Confident	16 Å²	16	45.4 Å²	45.4	10%	0.104	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-54.4	139.4	157.3	-19.1	32.1	0	0	0	108.9	L483 V484 L593 Y776 D777	L483-P492 WeakPolarHBondContact O-CA 3.48Å; V484-P492 HydrophobicContact CG2-CB 4.25Å; V484-P492 HydrophobicContact CG2-CG 4.4Å; P492-L593 HydrophobicContact CG-CD2 4.42Å; P492-Y776 CarbonylContact O-C 3.54Å; P492-Y776 WeakPolarHBondContact O-CA 3.29Å; P492-Y776 WeakPolarHBondContact O-CB 3.46Å; P492-D777 PolarHBondContact O-N 2.79Å
493	T	92.8	Very high	86.5	Confident	25 Å²	25	44.1 Å²	44.1	15%	0.153	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	123.5	177.4	-47	0	0	0	0	109.6	L483 K491 Y495 D777 H779	L483-T493 PolarHBondContact N-O 2.71Å; L483-T493 PolarHBondContact O-N 2.76Å; K491-T493 PolarHBondContact O-N 3.17Å; T493-Y495 HydrophobicContact CG2-CD2 4.32Å; T493-Y495 HydrophobicContact CG2-CE2 3.73Å; T493-Y495 VanDerWaalsContact O-CD2 3.26Å; T493-Y495 WeakPolarHBondContact O-CD2 3.29Å; T493-D777 CarbonylContact C-O 3.54Å; T493-D777 WeakPolarHBondContact CA-O 3.43Å; T493-D777 HydrophobicContact CG2-CB 4.29Å; T493-H779 HydrophobicContact CG2-CB 4Å
494	Q	94.1	Very high	86.4	Confident	11 Å²	11	50 Å²	50	5%	0.051	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	125.7	176.4	-163.1	-173.6	23.6	0	0	110.2	E480 V481 Y482 Y776 D777 K778 H779 M782	E480-Q494 PolarHBondContact OE2-NE2 2.67Å; V481-Q494 WeakPolarHBondContact O-CA 3.41Å; Y482-Q494 HydrophobicContact CD1-CB 3.87Å; Y482-Q494 HydrophobicContact CD1-CG 3.91Å; Y482-Q494 HydrophobicContact CE1-CB 3.88Å; Y482-Q494 HydrophobicContact CE1-CG 3.62Å; Q494-Y776 HydrophobicContact CB-CD2 3.93Å; Q494-Y776 HydrophobicContact CB-CE2 4.04Å; Q494-D777 PolarHBondContact N-O 3.1Å; Q494-K778 HydrophobicContact CB-CG 4.43Å; Q494-K778 VanDerWaalsContact OE1-CE 3.32Å; Q494-H779 VanDerWaalsContact O-CB 3.29Å; Q494-H779 WeakPolarHBondContact O-CB 3.49Å; Q494-H779 PolarHBondContact O-N 2.82Å; Q494-M782 HydrophobicContact CB-SD 4.37Å; Q494-M782 VanDerWaalsContact CD-CE 3.43Å; Q494-M782 HydrophobicContact CG-CE 4.01Å; Q494-M782 HydrophobicContact CG-SD 3.82Å; Q494-M782 WeakPolarHBondContact O-CG 3.19Å
495	Y	93.3	Very high	86.4	Confident	15 Å²	15	48.8 Å²	48.8	6%	0.059	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137	175.9	-71.5	-100.6	0	0	0	110.6	E480 V481 L483 T493 L512 L515 S516 H779	E480-Y495 WeakPolarHBondContact CA-O 3.49Å; V481-Y495 PolarHBondContact N-O 2.92Å; V481-Y495 PolarHBondContact O-N 3.47Å; L483-Y495 HydrophobicContact CB-CD2 3.95Å; L483-Y495 HydrophobicContact CB-CE2 3.73Å; L483-Y495 HydrophobicContact CD2-CE2 3.77Å; L483-Y495 HydrophobicContact CG-CE2 4.41Å; T493-Y495 HydrophobicContact CG2-CD2 4.32Å; T493-Y495 HydrophobicContact CG2-CE2 3.73Å; T493-Y495 VanDerWaalsContact O-CD2 3.26Å; T493-Y495 WeakPolarHBondContact O-CD2 3.29Å; Y495-L512 HydrophobicContact CD1-CD1 3.92Å; Y495-L512 HydrophobicContact CD2-CD1 3.62Å; Y495-L512 HydrophobicContact CE1-CD1 4.38Å; Y495-L512 HydrophobicContact CE2-CD1 4.12Å; Y495-L512 HydrophobicContact CG-CD1 3.53Å; Y495-L515 HydrophobicContact CD1-CB 3.97Å; Y495-L515 HydrophobicContact CD1-CD1 4.18Å; Y495-L515 HydrophobicContact CE1-CB 3.94Å; Y495-S516 WeakPolarHBondContact OH-CB 3.06Å; Y495-H779 HydrophobicContact CD1-CB 3.79Å; Y495-H779 AromaticContact CD1-CG 3.52Å; Y495-H779 AromaticContact CD1-ND1 3.41Å; Y495-H779 WeakPolarHBondContact CD1-ND1 3.34Å; Y495-H779 HydrophobicContact CE1-CB 3.83Å; Y495-H779 AromaticContact CE1-CD2 3.48Å; Y495-H779 VanDerWaalsContact CE1-CD2 3.48Å; Y495-H779 WeakPolarHBondContact CE1-CD2 3.49Å; Y495-H779 AromaticContact CE1-CE1 3.76Å; Y495-H779 AromaticContact CE1-CG 3.32Å; Y495-H779 AromaticContact CE1-ND1 3.49Å; Y495-H779 WeakPolarHBondContact CE1-ND1 3.14Å; Y495-H779 AromaticContact CE1-NE2 3.75Å; Y495-H779 HydrophobicContact CG-CB 4.13Å; Y495-H779 AromaticContact CZ-CD2 3.99Å
496	K	91.4	Very high	86.5	Confident	54 Å²	54	47 Å²	47	24%	0.235	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.7	160.8	-153.5	163.2	-169.5	131.1	0	109.1	L479 E480 S781 M782	L479-K496 WeakPolarHBondContact O-CA 3.47Å; E480-K496 HydrophobicContact CG-CB 4.47Å; E480-K496 HydrophobicContact CG-CD 4.4Å; E480-K496 HydrophobicContact CG-CG 3.98Å; E480-K496 WeakPolarHBondContact OE1-CE 3.46Å; E480-K496 IonicContact OE1-NZ 2.74Å; E480-K496 PolarHBondContact OE1-NZ 2.84Å; K496-S781 WeakPolarHBondContact CB-O 3.37Å; K496-S781 PolarHBondContact N-OG 3.09Å; K496-S781 WeakPolarHBondContact O-CB 3.03Å; K496-S781 PolarHBondContact O-OG 2.88Å; K496-S781 VanDerWaalsContact O-OG 3.09Å; K496-M782 HydrophobicContact CB-SD 3.82Å; K496-M782 PolarHBondContact N-SD 3.14Å
497	L	90.1	Very high	86.9	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	147	-179.8	-56.5	-178.3	0	0	0	110.1	T478 L479 V481 V499 L508 L512 L515	T478-L497 CarbonylContact C-O 3.59Å; T478-L497 WeakPolarHBondContact CA-O 3.33Å; L479-L497 PolarHBondContact N-O 3.3Å; L479-L497 PolarHBondContact O-N 2.61Å; V481-L497 HydrophobicContact CG1-CD1 4.18Å; V481-L497 HydrophobicContact CG2-CD1 3.68Å; V481-L497 HydrophobicContact CG2-CG 4.1Å; L497-V499 HydrophobicContact CB-CG1 4.32Å; L497-L508 HydrophobicContact CD1-CD2 3.8Å; L497-L508 HydrophobicContact CD1-CG 3.85Å; L497-L512 HydrophobicContact CD1-CB 3.93Å; L497-L512 HydrophobicContact CD2-CB 4.05Å; L497-L512 HydrophobicContact CD2-CD1 3.98Å; L497-L515 HydrophobicContact CD2-CD1 3.8Å
498	T	88.9	Confident	87.4	Confident	67 Å²	67	42 Å²	42	41%	0.411	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130	162.7	-57.3	0	0	0	0	108	E476 S511	E476-T498 HydrophobicContact CB-CG2 3.84Å; E476-T498 HydrophobicContact CG-CG2 4.24Å; E476-T498 WeakPolarHBondContact OE2-CG2 3.28Å; T498-S511 PolarHBondContact O-OG 2.67Å
499	V	88.4	Confident	88.1	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	158.4	-175.5	-62.4	0	0	0	0	110.3	E476 R477 L479 L497 L508 L543	E476-V499 CarbonylContact C-O 3.46Å; E476-V499 WeakPolarHBondContact CA-O 3.36Å; E476-V499 WeakPolarHBondContact CB-O 3.38Å; R477-V499 HydrophobicContact CG-CG2 3.71Å; R477-V499 PolarHBondContact N-O 2.88Å; R477-V499 PolarHBondContact O-N 2.96Å; R477-V499 VanDerWaalsContact O-O 3.12Å; L479-V499 HydrophobicContact CD1-CG2 3.92Å; L479-V499 HydrophobicContact CG-CG2 4.26Å; L497-V499 HydrophobicContact CB-CG1 4.32Å; V499-L508 HydrophobicContact CG1-CB 4.26Å; V499-L543 HydrophobicContact CB-CD1 3.94Å; V499-L543 HydrophobicContact CG2-CD1 3.9Å
500	P	83.7	Confident	88.8	Confident	48 Å²	48	39.7 Å²	39.7	31%	0.312	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	142.8	175.2	-24.5	34.9	0	0	0	112.9	K475 V502 L543	K475-P500 CarbonylContact O-C 3.59Å; K475-P500 WeakPolarHBondContact O-CA 3.37Å; P500-V502 VanDerWaalsContact C-N 3.27Å; P500-V502 WeakPolarHBondContact CB-O 3.46Å; P500-V502 PolarHBondContact O-N 3.25Å; P500-L543 VanDerWaalsContact O-CD1 3.32Å; P500-L543 WeakPolarHBondContact O-CD1 3.16Å
501	K	75.3	Confident	89.2	Confident	68 Å²	68	39.2 Å²	39.2	30%	0.296	21%	0.212	S	C	.	.	S	Bend	trans	-65.2	-34.4	170.6	-103	-159.5	173.1	-166	0	111.6	K475 R477 D852	K475-K501 PolarHBondContact O-N 3.33Å; R477-K501 HydrophobicContact CB-CG 3.9Å; R477-K501 HydrophobicContact CG-CG 4.4Å; K501-D852 IonicContact NZ-OD2 2.71Å; K501-D852 PolarHBondContact NZ-OD2 2.58Å
502	V	75.9	Confident	89.5	Confident	125 Å²	125	36.2 Å²	36.2	76%	0.758	20%	0.199	S	C	*	.	S	Bend	trans	-119.2	100.9	172.6	-177.2	0	0	0	0	107	P500	P500-V502 VanDerWaalsContact C-N 3.27Å; P500-V502 WeakPolarHBondContact CB-O 3.46Å; P500-V502 PolarHBondContact O-N 3.25Å
503	G	82.9	Confident	89.7	Confident	5 Å²	5	36.8 Å²	36.8	5%	0.052	20%	0.204	C	C	.	.			trans	-166.7	-172.6	-175.6	0	0	0	0	0	110.7	D507 N542 L543	G503-D507 WeakPolarHBondContact CA-OD2 3.44Å; G503-N542 WeakPolarHBondContact O-CA 3.22Å; G503-N542 PolarHBondContact O-OD1 3.45Å; G503-L543 PolarHBondContact O-N 2.8Å
504	Y	90.9	Very high	89.7	Confident	124 Å²	124	40.4 Å²	40.4	49%	0.486	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-115.6	161.7	-173.1	-63.4	-80.6	0	0	0	112.5	S506 D507 N540 E541 L543	Y504-S506 WeakPolarHBondContact CB-OG 3.36Å; Y504-S506 PolarHBondContact O-N 3.05Å; Y504-S506 VanDerWaalsContact O-N 3.16Å; Y504-D507 PolarHBondContact N-OD2 3.45Å; Y504-D507 VanDerWaalsContact O-CB 3.3Å; Y504-D507 WeakPolarHBondContact O-CB 3.42Å; Y504-D507 PolarHBondContact O-N 3.44Å; Y504-N540 WeakPolarHBondContact CD1-O 3.36Å; Y504-E541 CarbonylContact C-O 3.54Å; Y504-E541 VanDerWaalsContact CA-O 3.27Å; Y504-E541 WeakPolarHBondContact CA-O 3.46Å; Y504-L543 WeakPolarHBondContact O-CD2 3.48Å; Y504-L543 WeakPolarHBondContact O-CG 3.4Å
505	I	91.5	Very high	89.6	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-57.1	-28.4	175.5	-64.9	-74.2	0	0	0	111.5	D507 L508 C509 V525 F537 A538 E541 L543 I546	I505-D507 PolarHBondContact O-N 3.38Å; I505-L508 WeakPolarHBondContact O-CB 3.41Å; I505-L508 PolarHBondContact O-N 3.25Å; I505-C509 PolarHBondContact O-N 2.9Å; I505-C509 PolarHBondContact O-SG 2.72Å; I505-V525 HydrophobicContact CG2-CB 4Å; I505-V525 HydrophobicContact CG2-CG2 3.78Å; I505-F537 HydrophobicContact CD1-CB 4.05Å; I505-F537 HydrophobicContact CD1-CD1 4Å; I505-F537 HydrophobicContact CD1-CG 4.05Å; I505-F537 HydrophobicContact CG1-CB 4.08Å; I505-F537 HydrophobicContact CG1-CD1 4.46Å; I505-F537 HydrophobicContact CG2-CB 4.27Å; I505-A538 WeakPolarHBondContact CB-O 3.46Å; I505-E541 HydrophobicContact CG1-CB 4.03Å; I505-E541 WeakPolarHBondContact CG1-O 3.39Å; I505-E541 PolarHBondContact N-O 3.35Å; I505-L543 HydrophobicContact CD1-CD2 4.23Å; I505-I546 HydrophobicContact CD1-CD1 3.64Å; I505-I546 HydrophobicContact CD1-CG1 4.34Å
506	S	91	Very high	89.6	Confident	41 Å²	41	43.4 Å²	43.4	29%	0.287	25%	0.248	S	C	.	.	H	α-helix	trans	-53.6	-34.1	168.3	54.5	0	0	0	0	114.2	Y504 C509 T510 T539	Y504-S506 WeakPolarHBondContact CB-OG 3.36Å; Y504-S506 PolarHBondContact O-N 3.05Å; Y504-S506 VanDerWaalsContact O-N 3.16Å; S506-C509 PolarHBondContact O-N 3.11Å; S506-T510 WeakPolarHBondContact O-CB 3.3Å; S506-T510 PolarHBondContact O-N 2.89Å; S506-T510 PolarHBondContact O-OG1 3.26Å; S506-T539 PolarHBondContact N-O 3.36Å
507	D	91.9	Very high	89.5	Confident	48 Å²	48	44 Å²	44	26%	0.257	27%	0.269	S	S	.	.	H	α-helix	trans	-78.3	-34.7	-174.4	-47.8	-19.8	0	0	0	110	G503 Y504 I505 T510 S511 L543	G503-D507 WeakPolarHBondContact CA-OD2 3.44Å; Y504-D507 PolarHBondContact N-OD2 3.45Å; Y504-D507 VanDerWaalsContact O-CB 3.3Å; Y504-D507 WeakPolarHBondContact O-CB 3.42Å; Y504-D507 PolarHBondContact O-N 3.44Å; I505-D507 PolarHBondContact O-N 3.38Å; D507-T510 PolarHBondContact O-N 3.33Å; D507-S511 VanDerWaalsContact O-CB 3.31Å; D507-S511 WeakPolarHBondContact O-CB 3.37Å; D507-S511 PolarHBondContact O-N 2.85Å; D507-L543 HydrophobicContact CB-CD1 4.44Å
508	L	93.8	Very high	89.5	Confident	0 Å²	0	44 Å²	44	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-49.9	167.7	-174.4	169.4	0	0	0	110.5	L479 V481 L497 V499 I505 T510 S511 L512 V525 L543 I546 V554	L479-L508 HydrophobicContact CD1-CD1 3.73Å; L479-L508 HydrophobicContact CD1-CG 4.5Å; V481-L508 HydrophobicContact CG1-CD1 4.44Å; L497-L508 HydrophobicContact CD1-CD2 3.8Å; L497-L508 HydrophobicContact CD1-CG 3.85Å; V499-L508 HydrophobicContact CG1-CB 4.26Å; I505-L508 WeakPolarHBondContact O-CB 3.41Å; I505-L508 PolarHBondContact O-N 3.25Å; L508-T510 VanDerWaalsContact C-N 3.27Å; L508-T510 PolarHBondContact O-N 3.4Å; L508-S511 PolarHBondContact O-N 3.43Å; L508-L512 WeakPolarHBondContact O-CB 3.27Å; L508-L512 PolarHBondContact O-N 3.2Å; L508-V525 HydrophobicContact CD1-CG1 4.47Å; L508-V525 HydrophobicContact CD2-CG2 4.12Å; L508-L543 HydrophobicContact CB-CD2 3.84Å; L508-L543 HydrophobicContact CD1-CD2 4.19Å; L508-I546 HydrophobicContact CD1-CD1 3.81Å; L508-V554 HydrophobicContact CD2-CG2 4.27Å
509	C	93.3	Very high	89.5	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.02	27%	0.265	C	S	.	.	H	α-helix	trans	-59.5	-38.1	176.1	-63.8	0	0	0	0	112.1	I505 S506 S513 A520 M523 V525	I505-C509 PolarHBondContact O-N 2.9Å; I505-C509 PolarHBondContact O-SG 2.72Å; S506-C509 PolarHBondContact O-N 3.11Å; C509-S513 WeakPolarHBondContact O-CB 3.3Å; C509-S513 PolarHBondContact O-N 2.88Å; C509-A520 HydrophobicContact CB-CB 3.89Å; C509-M523 HydrophobicContact CB-CB 4.37Å; C509-M523 HydrophobicContact CB-SD 3.85Å; C509-V525 VanDerWaalsContact SG-CG2 3.58Å
510	T	93.7	Very high	89.5	Confident	77 Å²	77	44.5 Å²	44.5	47%	0.472	28%	0.276	S	S	.	.	H	α-helix	trans	-69.2	-41.1	178	-56.2	0	0	0	0	112	S506 D507 L508 S513 S514	S506-T510 WeakPolarHBondContact O-CB 3.3Å; S506-T510 PolarHBondContact O-N 2.89Å; S506-T510 PolarHBondContact O-OG1 3.26Å; D507-T510 PolarHBondContact O-N 3.33Å; L508-T510 VanDerWaalsContact C-N 3.27Å; L508-T510 PolarHBondContact O-N 3.4Å; T510-S513 PolarHBondContact O-N 2.81Å; T510-S514 PolarHBondContact O-N 3.3Å; T510-S514 VanDerWaalsContact O-N 3.11Å; T510-S514 PolarHBondContact O-OG 3.26Å
511	S	92.7	Very high	89.7	Confident	28 Å²	28	47.3 Å²	47.3	20%	0.196	29%	0.285	C	S	.	.	H	α-helix	trans	-63.7	-47.7	175.3	-168.7	0	0	0	0	111.1	T498 D507 L508 S514 L515	T498-S511 PolarHBondContact O-OG 2.67Å; D507-S511 VanDerWaalsContact O-CB 3.31Å; D507-S511 WeakPolarHBondContact O-CB 3.37Å; D507-S511 PolarHBondContact O-N 2.85Å; L508-S511 PolarHBondContact O-N 3.43Å; S511-S514 PolarHBondContact O-N 3.16Å; S511-L515 PolarHBondContact O-N 3.28Å
512	L	94.5	Very high	90.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-66.2	-37.2	175.4	-174.6	60.2	0	0	0	113	V481 L483 Y495 L497 L508 S514 L515 S516 M523 V554	V481-L512 HydrophobicContact CG2-CD1 4.24Å; V481-L512 HydrophobicContact CG2-CD2 4.19Å; L483-L512 HydrophobicContact CB-CD2 4.45Å; L483-L512 HydrophobicContact CD1-CD2 4.08Å; Y495-L512 HydrophobicContact CD1-CD1 3.92Å; Y495-L512 HydrophobicContact CD2-CD1 3.62Å; Y495-L512 HydrophobicContact CE1-CD1 4.38Å; Y495-L512 HydrophobicContact CE2-CD1 4.12Å; Y495-L512 HydrophobicContact CG-CD1 3.53Å; L497-L512 HydrophobicContact CD1-CB 3.93Å; L497-L512 HydrophobicContact CD2-CB 4.05Å; L497-L512 HydrophobicContact CD2-CD1 3.98Å; L508-L512 WeakPolarHBondContact O-CB 3.27Å; L508-L512 PolarHBondContact O-N 3.2Å; L512-S514 VanDerWaalsContact C-N 3.29Å; L512-S514 PolarHBondContact O-N 2.89Å; L512-L515 PolarHBondContact O-N 2.88Å; L512-S516 WeakPolarHBondContact O-CB 3.25Å; L512-S516 PolarHBondContact O-N 3.11Å; L512-S516 PolarHBondContact O-OG 3.12Å; L512-M523 HydrophobicContact CB-CE 4.04Å; L512-M523 HydrophobicContact CB-SD 4.16Å; L512-M523 HydrophobicContact CD2-CE 3.97Å; L512-M523 HydrophobicContact CD2-SD 3.95Å; L512-M523 HydrophobicContact CG-CE 3.76Å; L512-M523 HydrophobicContact CG-SD 4.21Å; L512-V554 HydrophobicContact CD2-CB 3.84Å; L512-V554 HydrophobicContact CD2-CG1 3.85Å; L512-V554 HydrophobicContact CD2-CG2 3.87Å
513	S	94.4	Very high	91	Very high	29 Å²	29	41.3 Å²	41.3	20%	0.203	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-41.5	177.4	-178.2	0	0	0	0	111.2	C509 T510 L515 G517 V518 A520	C509-S513 WeakPolarHBondContact O-CB 3.3Å; C509-S513 PolarHBondContact O-N 2.88Å; T510-S513 PolarHBondContact O-N 2.81Å; S513-L515 VanDerWaalsContact C-N 3.29Å; S513-L515 PolarHBondContact O-N 2.82Å; S513-G517 PolarHBondContact O-N 2.88Å; S513-V518 VanDerWaalsContact CA-O 3.25Å; S513-V518 WeakPolarHBondContact CA-O 3.49Å; S513-V518 WeakPolarHBondContact CB-O 3.14Å; S513-V518 PolarHBondContact OG-O 2.98Å; S513-A520 PolarHBondContact OG-N 2.99Å
514	S	92.8	Very high	91.3	Very high	100 Å²	100	41.1 Å²	41.1	70%	0.699	25%	0.247	S	C	*	.	H	α-helix	trans	-65	-27.9	178.7	-56.4	0	0	0	0	113.8	T510 S511 L512	T510-S514 PolarHBondContact O-N 3.3Å; T510-S514 VanDerWaalsContact O-N 3.11Å; T510-S514 PolarHBondContact O-OG 3.26Å; S511-S514 PolarHBondContact O-N 3.16Å; L512-S514 VanDerWaalsContact C-N 3.29Å; L512-S514 PolarHBondContact O-N 2.89Å
515	L	91.9	Very high	91.4	Very high	74 Å²	74	35.3 Å²	35.3	39%	0.387	22%	0.224	S	C	.	.	H	α-helix	trans	-93.2	-39.1	177.7	-63.4	-179.5	0	0	0	113.4	Y495 L497 S511 L512 S513	Y495-L515 HydrophobicContact CD1-CB 3.97Å; Y495-L515 HydrophobicContact CD1-CD1 4.18Å; Y495-L515 HydrophobicContact CE1-CB 3.94Å; L497-L515 HydrophobicContact CD2-CD1 3.8Å; S511-L515 PolarHBondContact O-N 3.28Å; L512-L515 PolarHBondContact O-N 2.88Å; S513-L515 VanDerWaalsContact C-N 3.29Å; S513-L515 PolarHBondContact O-N 2.82Å
516	S	91.8	Very high	91.4	Very high	15 Å²	15	35.2 Å²	35.2	11%	0.105	22%	0.224	C	C	.	.	H	α-helix	trans	-95.7	-11.8	-170.2	64.7	0	0	0	0	115.2	L483 Y495 L512 V518	L483-S516 VanDerWaalsContact CD2-CB 3.4Å; Y495-S516 WeakPolarHBondContact OH-CB 3.06Å; L512-S516 WeakPolarHBondContact O-CB 3.25Å; L512-S516 PolarHBondContact O-N 3.11Å; L512-S516 PolarHBondContact O-OG 3.12Å; S516-V518 PolarHBondContact O-N 2.87Å; S516-V518 PolarHBondContact OG-N 3.18Å
517	G	89.4	Confident	91.4	Very high	67 Å²	67	33.8 Å²	33.8	69%	0.691	21%	0.213	S	C	*	.			trans	70	2.2	-173.9	0	0	0	0	0	115	S513	S513-G517 PolarHBondContact O-N 2.88Å
518	V	90.6	Very high	91.1	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	20%	0.204	C	C	.	.			trans	-78.4	130.5	173.7	177.7	0	0	0	0	109.5	L483 S513 S516 A520 M523 E556	L483-V518 HydrophobicContact CD2-CG2 4.09Å; S513-V518 VanDerWaalsContact CA-O 3.25Å; S513-V518 WeakPolarHBondContact CA-O 3.49Å; S513-V518 WeakPolarHBondContact CB-O 3.14Å; S513-V518 PolarHBondContact OG-O 2.98Å; S516-V518 PolarHBondContact O-N 2.87Å; S516-V518 PolarHBondContact OG-N 3.18Å; V518-A520 PolarHBondContact O-N 3.12Å; V518-M523 HydrophobicContact CB-CE 3.61Å; V518-M523 HydrophobicContact CG1-CE 3.79Å; V518-M523 HydrophobicContact CG1-CG 4.12Å; V518-M523 WeakPolarHBondContact O-CE 3.4Å; V518-E556 HydrophobicContact CG1-CB 4.33Å; V518-E556 HydrophobicContact CG1-CG 3.89Å
519	P	89.9	Confident	90.6	Very high	50 Å²	50	39.6 Å²	39.6	33%	0.325	23%	0.233	S	C	.	.			trans	-61	131	173.8	-25.1	35.6	0	0	0	112.4	E521 K522	P519-E521 HydrophobicContact CB-CG 3.97Å; P519-E521 PolarHBondContact O-N 3.04Å; P519-E521 VanDerWaalsContact O-N 3.14Å; P519-K522 HydrophobicContact CB-CG 4.39Å; P519-K522 HydrophobicContact CG-CD 4.42Å; P519-K522 WeakPolarHBondContact O-CB 3.33Å; P519-K522 PolarHBondContact O-N 2.68Å
520	A	88.6	Confident	90.1	Very high	30 Å²	30	44.6 Å²	44.6	25%	0.248	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-56.8	-30.5	-178	0	0	0	0	0	114	C509 S513 V518 K522 M523	C509-A520 HydrophobicContact CB-CB 3.89Å; S513-A520 PolarHBondContact OG-N 2.99Å; V518-A520 PolarHBondContact O-N 3.12Å; A520-K522 PolarHBondContact O-N 2.85Å; A520-M523 WeakPolarHBondContact O-CB 3.3Å; A520-M523 PolarHBondContact O-N 2.78Å
521	E	86.1	Confident	89.5	Confident	107 Å²	107	44.6 Å²	44.6	50%	0.5	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-64.1	-20.4	175	71.4	-152	-174.8	0	0	114.2	P519	P519-E521 HydrophobicContact CB-CG 3.97Å; P519-E521 PolarHBondContact O-N 3.04Å; P519-E521 VanDerWaalsContact O-N 3.14Å
522	K	87.6	Confident	89.1	Confident	65 Å²	65	48.8 Å²	48.8	28%	0.283	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-99.6	8.7	179.7	-62.7	-170.9	-176.6	-171.2	0	113.1	P519 A520 E556 V557	P519-K522 HydrophobicContact CB-CG 4.39Å; P519-K522 HydrophobicContact CG-CD 4.42Å; P519-K522 WeakPolarHBondContact O-CB 3.33Å; P519-K522 PolarHBondContact O-N 2.68Å; A520-K522 PolarHBondContact O-N 2.85Å; K522-E556 WeakPolarHBondContact O-CA 3.41Å; K522-V557 WeakPolarHBondContact CB-O 3.5Å; K522-V557 WeakPolarHBondContact O-CG2 3.32Å; K522-V557 PolarHBondContact O-N 2.8Å
523	M	91.1	Very high	88.6	Confident	3 Å²	3	49 Å²	49	2%	0.015	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	136	179.2	-66.5	-176.4	174.4	0	0	111.9	C509 L512 V518 A520 V554	C509-M523 HydrophobicContact CB-CB 4.37Å; C509-M523 HydrophobicContact CB-SD 3.85Å; L512-M523 HydrophobicContact CB-CE 4.04Å; L512-M523 HydrophobicContact CB-SD 4.16Å; L512-M523 HydrophobicContact CD2-CE 3.97Å; L512-M523 HydrophobicContact CD2-SD 3.95Å; L512-M523 HydrophobicContact CG-CE 3.76Å; L512-M523 HydrophobicContact CG-SD 4.21Å; V518-M523 HydrophobicContact CB-CE 3.61Å; V518-M523 HydrophobicContact CG1-CE 3.79Å; V518-M523 HydrophobicContact CG1-CG 4.12Å; V518-M523 WeakPolarHBondContact O-CE 3.4Å; A520-M523 WeakPolarHBondContact O-CB 3.3Å; A520-M523 PolarHBondContact O-N 2.78Å; M523-V554 HydrophobicContact CB-CG1 3.75Å; M523-V554 HydrophobicContact CG-CG1 4.02Å; M523-V554 HydrophobicContact SD-CG1 4.22Å
524	I	89.9	Confident	88	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	107.1	168.8	-56.2	-171.3	0	0	0	108.6	T526 I536 V554 F555 V557 V569 L596 L749	I524-T526 HydrophobicContact CG2-CG2 3.98Å; I524-I536 HydrophobicContact CG2-CG2 3.83Å; I524-V554 WeakPolarHBondContact O-CA 2.98Å; I524-F555 PolarHBondContact N-O 3.14Å; I524-F555 PolarHBondContact O-N 2.93Å; I524-V557 HydrophobicContact CD1-CG1 3.66Å; I524-V557 HydrophobicContact CD1-CG2 4.06Å; I524-V557 HydrophobicContact CG1-CG1 4.16Å; I524-V557 HydrophobicContact CG1-CG2 4.14Å; I524-V569 HydrophobicContact CD1-CG1 4.15Å; I524-L596 HydrophobicContact CB-CD1 3.73Å; I524-L596 HydrophobicContact CD1-CD1 3.72Å; I524-L596 HydrophobicContact CG1-CD1 4.24Å; I524-L596 HydrophobicContact CG2-CD1 3.55Å; I524-L749 HydrophobicContact CD1-CD1 4.2Å
525	V	92.3	Very high	87.6	Confident	2 Å²	2	52 Å²	52	1%	0.012	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	131.3	176.8	-174.1	0	0	0	0	109.4	I505 L508 C509 F537 I552 V554	I505-V525 HydrophobicContact CG2-CB 4Å; I505-V525 HydrophobicContact CG2-CG2 3.78Å; L508-V525 HydrophobicContact CD1-CG1 4.47Å; L508-V525 HydrophobicContact CD2-CG2 4.12Å; C509-V525 VanDerWaalsContact SG-CG2 3.58Å; V525-F537 HydrophobicContact CB-CB 4.42Å; V525-F537 HydrophobicContact CB-CD2 4.47Å; V525-F537 HydrophobicContact CG1-CD2 3.98Å; V525-F537 PolarHBondContact O-N 2.94Å; V525-I552 HydrophobicContact CG1-CG2 3.72Å; V525-V554 HydrophobicContact CG1-CG2 4.38Å; V525-V554 HydrophobicContact CG2-CG1 4.17Å; V525-V554 HydrophobicContact CG2-CG2 4.07Å
526	T	92	Very high	87.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	154.9	-177.3	64.5	0	0	0	0	111	I524 F533 R535 I536 I552 Y553 F555	I524-T526 HydrophobicContact CG2-CG2 3.98Å; T526-F533 HydrophobicContact CG2-CD1 3.88Å; T526-F533 HydrophobicContact CG2-CE1 3.95Å; T526-R535 CarbonylContact C-O 3.57Å; T526-R535 VanDerWaalsContact CA-O 3.29Å; T526-R535 WeakPolarHBondContact CA-O 3.43Å; T526-R535 WeakPolarHBondContact CB-O 3.5Å; T526-I536 HydrophobicContact CG2-CB 4.4Å; T526-I536 HydrophobicContact CG2-CG1 4.02Å; T526-I536 HydrophobicContact CG2-CG2 4.25Å; T526-I552 CarbonylContact O-C 3.54Å; T526-I552 WeakPolarHBondContact O-CA 3.34Å; T526-Y553 PolarHBondContact N-O 3.45Å; T526-Y553 PolarHBondContact O-N 2.95Å; T526-Y553 PolarHBondContact OG1-O 3.27Å; T526-F555 HydrophobicContact CG2-CD2 4.29Å; T526-F555 WeakPolarHBondContact OG1-CE2 3.3Å
527	D	90.3	Very high	87.1	Confident	10 Å²	10	49.2 Å²	49.2	5%	0.053	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.9	168.2	155.2	29.6	0	0	0	107	H534 R535 F537 I552	D527-H534 PolarHBondContact O-N 2.9Å; D527-H534 IonicContact OD2-CE1 3.23Å; D527-H534 IonicContact OD2-CG 2.68Å; D527-H534 IonicContact OD2-ND1 2.8Å; D527-H534 PolarHBondContact OD2-ND1 3.33Å; D527-R535 HydrophobicContact CB-CB 4.16Å; D527-R535 PolarHBondContact N-O 3.5Å; D527-R535 PolarHBondContact O-N 2.68Å; D527-F537 HydrophobicContact CB-CE2 3.79Å; D527-F537 HydrophobicContact CB-CZ 4.2Å; D527-I552 HydrophobicContact CB-CD1 3.93Å
528	I	86.8	Confident	86.9	Confident	15 Å²	15	47.8 Å²	47.8	8%	0.077	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.2	-177.2	-64.5	-178.6	0	0	0	109.1	R532 F533 D551 Y553 F555 L593 P594	I528-R532 WeakPolarHBondContact CA-O 3.41Å; I528-F533 HydrophobicContact CD1-CD1 4.42Å; I528-F533 HydrophobicContact CD1-CE1 4.14Å; I528-F533 HydrophobicContact CG1-CD1 4.06Å; I528-F533 HydrophobicContact CG1-CE1 4.28Å; I528-D551 PolarHBondContact N-O 2.73Å; I528-D551 VanDerWaalsContact N-O 3.17Å; I528-Y553 HydrophobicContact CB-CD2 4.05Å; I528-Y553 HydrophobicContact CB-CE2 4.46Å; I528-Y553 HydrophobicContact CD1-CD1 4.32Å; I528-Y553 HydrophobicContact CD1-CD2 3.71Å; I528-Y553 HydrophobicContact CD1-CE2 4.42Å; I528-Y553 HydrophobicContact CD1-CG 3.66Å; I528-Y553 HydrophobicContact CG1-CD2 4.06Å; I528-Y553 HydrophobicContact CG1-CG 4.38Å; I528-F555 HydrophobicContact CD1-CE2 4Å; I528-F555 HydrophobicContact CD1-CZ 3.99Å; I528-L593 HydrophobicContact CD1-CD1 3.94Å; I528-P594 HydrophobicContact CD1-CG 3.94Å; I528-P594 HydrophobicContact CG1-CG 4.33Å; I528-P594 HydrophobicContact CG2-CG 3.94Å
529	Y	82.6	Confident	86.6	Confident	155 Å²	155	51 Å²	51	61%	0.608	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139.1	131	176.2	-178.8	-97	0	0	0	110.3	R532	Y529-R532 PolarHBondContact N-O 2.77Å; Y529-R532 VanDerWaalsContact N-O 3.08Å; Y529-R532 WeakPolarHBondContact O-CG 3.47Å
530	N	82.4	Confident	86.4	Confident	109 Å²	109	54.5 Å²	54.5	58%	0.583	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	58.7	-177.8	-169.3	7.1	0	0	0	113	R532	N530-R532 PolarHBondContact O-N 3.32Å
531	H	82.9	Confident	86.2	Confident	77 Å²	77	55.5 Å²	55.5	36%	0.356	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	19.8	175.9	-53.7	-70.4	0	0	0	116.4	L590 G592	H531-L590 HydrophobicContact CB-CB 3.73Å; H531-L590 PolarHBondContact CD2-O 2.91Å; H531-G592 PolarHBondContact ND1-N 3.45Å; H531-G592 PolarHBondContact ND1-O 2.6Å
532	R	83.1	Confident	86	Confident	116 Å²	116	53 Å²	53	44%	0.438	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	158.5	174.1	62.3	172.3	-169.4	-179.6	6.2	111.1	I528 Y529 N530 H534 L590	I528-R532 WeakPolarHBondContact CA-O 3.41Å; Y529-R532 PolarHBondContact N-O 2.77Å; Y529-R532 VanDerWaalsContact N-O 3.08Å; Y529-R532 WeakPolarHBondContact O-CG 3.47Å; N530-R532 PolarHBondContact O-N 3.32Å; R532-H534 PolarHBondContact O-N 3.12Å; R532-L590 HydrophobicContact CB-CD1 4.02Å; R532-L590 HydrophobicContact CG-CD1 4.47Å
533	F	84	Confident	85.9	Confident	3 Å²	3	49.9 Å²	49.9	1%	0.013	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	118	162.1	-60.1	-72.6	0	0	0	108.6	T526 I528 I536 F555 P571 P594 L596 Y754	T526-F533 HydrophobicContact CG2-CD1 3.88Å; T526-F533 HydrophobicContact CG2-CE1 3.95Å; I528-F533 HydrophobicContact CD1-CD1 4.42Å; I528-F533 HydrophobicContact CD1-CE1 4.14Å; I528-F533 HydrophobicContact CG1-CD1 4.06Å; I528-F533 HydrophobicContact CG1-CE1 4.28Å; F533-I536 HydrophobicContact CB-CG1 4.31Å; F533-I536 HydrophobicContact CG-CG1 4.5Å; F533-F555 HydrophobicContact CE1-CD2 4.36Å; F533-F555 AromaticContact CE1-CE2 3.69Å; F533-F555 HydrophobicContact CE1-CE2 3.69Å; F533-F555 HydrophobicContact CE1-CZ 4.05Å; F533-F555 HydrophobicContact CZ-CE2 4.26Å; F533-F555 HydrophobicContact CZ-CZ 4.23Å; F533-P571 HydrophobicContact CD2-CB 3.83Å; F533-P571 HydrophobicContact CE2-CB 3.78Å; F533-P594 HydrophobicContact CD2-CB 4.16Å; F533-P594 HydrophobicContact CE2-CB 3.76Å; F533-P594 HydrophobicContact CE2-CG 4.36Å; F533-P594 HydrophobicContact CZ-CB 4.09Å; F533-P594 HydrophobicContact CZ-CG 4.36Å; F533-L596 HydrophobicContact CE1-CD2 4.07Å; F533-L596 HydrophobicContact CE1-CG 4.44Å; F533-L596 HydrophobicContact CE2-CD2 3.75Å; F533-L596 HydrophobicContact CZ-CD2 3.47Å; F533-L596 VanDerWaalsContact CZ-CD2 3.47Å; F533-L596 HydrophobicContact CZ-CG 3.98Å; F533-Y754 HydrophobicContact CB-CE1 4.18Å; F533-Y754 AromaticContact CD2-CE1 3.94Å; F533-Y754 HydrophobicContact CD2-CE1 3.94Å; F533-Y754 PolarHBondContact O-OH 3.05Å; F533-Y754 VanDerWaalsContact O-OH 3.06Å
534	H	82.3	Confident	85.2	Confident	98 Å²	98	50.9 Å²	50.9	45%	0.454	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-37.2	170.5	178.4	-125.6	0	0	0	110.3	D527 R532	D527-H534 PolarHBondContact O-N 2.9Å; D527-H534 IonicContact OD2-CE1 3.23Å; D527-H534 IonicContact OD2-CG 2.68Å; D527-H534 IonicContact OD2-ND1 2.8Å; D527-H534 PolarHBondContact OD2-ND1 3.33Å; R532-H534 PolarHBondContact O-N 3.12Å
535	R	84.9	Confident	84.8	Confident	96 Å²	96	52.1 Å²	52.1	36%	0.362	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	147.1	173	-168.6	171.9	178.9	166.2	0.4	111.7	T526 D527 F537 E541	T526-R535 CarbonylContact C-O 3.57Å; T526-R535 VanDerWaalsContact CA-O 3.29Å; T526-R535 WeakPolarHBondContact CA-O 3.43Å; T526-R535 WeakPolarHBondContact CB-O 3.5Å; D527-R535 HydrophobicContact CB-CB 4.16Å; D527-R535 PolarHBondContact N-O 3.5Å; D527-R535 PolarHBondContact O-N 2.68Å; R535-F537 HydrophobicContact CB-CE2 4.37Å; R535-F537 HydrophobicContact CB-CZ 4.44Å; R535-F537 HydrophobicContact CG-CD1 4.38Å; R535-F537 HydrophobicContact CG-CD2 4.5Å; R535-F537 HydrophobicContact CG-CE1 4.25Å; R535-F537 HydrophobicContact CG-CE2 4.36Å; R535-F537 HydrophobicContact CG-CZ 4.24Å; R535-E541 IonicContact CZ-OE2 3.61Å; R535-E541 IonicContact NE-OE2 2.65Å; R535-E541 PolarHBondContact NE-OE2 3.02Å; R535-E541 IonicContact NH2-OE2 2.59Å; R535-E541 PolarHBondContact NH2-OE2 3.37Å
536	I	86.5	Confident	84.4	Confident	26 Å²	26	52 Å²	52	13%	0.133	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	118.1	168.4	-57.9	177.4	0	0	0	105.9	I524 T526 F533 L749	I524-I536 HydrophobicContact CG2-CG2 3.83Å; T526-I536 HydrophobicContact CG2-CB 4.4Å; T526-I536 HydrophobicContact CG2-CG1 4.02Å; T526-I536 HydrophobicContact CG2-CG2 4.25Å; F533-I536 HydrophobicContact CB-CG1 4.31Å; F533-I536 HydrophobicContact CG-CG1 4.5Å; I536-L749 HydrophobicContact CD1-CD2 4.39Å
537	F	86.3	Confident	83.7	Confident	3 Å²	3	55.8 Å²	55.8	1%	0.013	27%	0.274	C	S	.	.			trans	-87.3	139.5	-173	-61.4	-95.4	0	0	0	111.8	I505 V525 D527 R535 E541 S545 I546 I552	I505-F537 HydrophobicContact CD1-CB 4.05Å; I505-F537 HydrophobicContact CD1-CD1 4Å; I505-F537 HydrophobicContact CD1-CG 4.05Å; I505-F537 HydrophobicContact CG1-CB 4.08Å; I505-F537 HydrophobicContact CG1-CD1 4.46Å; I505-F537 HydrophobicContact CG2-CB 4.27Å; V525-F537 HydrophobicContact CB-CB 4.42Å; V525-F537 HydrophobicContact CB-CD2 4.47Å; V525-F537 HydrophobicContact CG1-CD2 3.98Å; V525-F537 PolarHBondContact O-N 2.94Å; D527-F537 HydrophobicContact CB-CE2 3.79Å; D527-F537 HydrophobicContact CB-CZ 4.2Å; R535-F537 HydrophobicContact CB-CE2 4.37Å; R535-F537 HydrophobicContact CB-CZ 4.44Å; R535-F537 HydrophobicContact CG-CD1 4.38Å; R535-F537 HydrophobicContact CG-CD2 4.5Å; R535-F537 HydrophobicContact CG-CE1 4.25Å; R535-F537 HydrophobicContact CG-CE2 4.36Å; R535-F537 HydrophobicContact CG-CZ 4.24Å; F537-E541 WeakPolarHBondContact CA-OE1 3.4Å; F537-S545 WeakPolarHBondContact CE1-OG 3.04Å; F537-I546 HydrophobicContact CE1-CG1 3.97Å; F537-I546 HydrophobicContact CE2-CG1 4.33Å; F537-I546 HydrophobicContact CZ-CG1 3.74Å; F537-I552 HydrophobicContact CE2-CD1 3.99Å; F537-I552 HydrophobicContact CZ-CD1 4.32Å
538	A	85.4	Confident	82.8	Confident	38 Å²	38	64 Å²	64	31%	0.314	31%	0.312	S	S	.	.			trans	-80.4	149.3	164.8	0	0	0	0	0	110.7	I505 N540 E541	I505-A538 WeakPolarHBondContact CB-O 3.46Å; A538-N540 WeakPolarHBondContact CB-OD1 3.39Å; A538-N540 PolarHBondContact O-N 3.08Å; A538-N540 VanDerWaalsContact O-N 3.14Å; A538-E541 HydrophobicContact CB-CG 4.25Å; A538-E541 PolarHBondContact N-OE1 3.42Å; A538-E541 WeakPolarHBondContact O-CB 3.26Å; A538-E541 PolarHBondContact O-N 3.36Å; A538-E541 VanDerWaalsContact O-N 3.07Å
539	T	84.1	Confident	82.3	Confident	69 Å²	69	73 Å²	73	42%	0.423	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-20.1	-174.5	45	0	0	0	0	114	S506	S506-T539 PolarHBondContact N-O 3.36Å
540	N	84.7	Confident	82.3	Confident	122 Å²	122	66.7 Å²	66.7	65%	0.652	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	6	177.3	67.3	-35.8	0	0	0	114.1	Y504 A538	Y504-N540 WeakPolarHBondContact CD1-O 3.36Å; A538-N540 WeakPolarHBondContact CB-OD1 3.39Å; A538-N540 PolarHBondContact O-N 3.08Å; A538-N540 VanDerWaalsContact O-N 3.14Å
541	E	85.1	Confident	82.6	Confident	52 Å²	52	65.4 Å²	65.4	24%	0.243	32%	0.315	C	S	.	.	S	Bend	trans	-74.3	155.4	168	-73	178.9	-110	0	0	111	Y504 I505 R535 F537 A538	Y504-E541 CarbonylContact C-O 3.54Å; Y504-E541 VanDerWaalsContact CA-O 3.27Å; Y504-E541 WeakPolarHBondContact CA-O 3.46Å; I505-E541 HydrophobicContact CG1-CB 4.03Å; I505-E541 WeakPolarHBondContact CG1-O 3.39Å; I505-E541 PolarHBondContact N-O 3.35Å; R535-E541 IonicContact CZ-OE2 3.61Å; R535-E541 IonicContact NE-OE2 2.65Å; R535-E541 PolarHBondContact NE-OE2 3.02Å; R535-E541 IonicContact NH2-OE2 2.59Å; R535-E541 PolarHBondContact NH2-OE2 3.37Å; F537-E541 WeakPolarHBondContact CA-OE1 3.4Å; A538-E541 HydrophobicContact CB-CG 4.25Å; A538-E541 PolarHBondContact N-OE1 3.42Å; A538-E541 WeakPolarHBondContact O-CB 3.26Å; A538-E541 PolarHBondContact O-N 3.36Å; A538-E541 VanDerWaalsContact O-N 3.07Å
542	N	82.3	Confident	83.1	Confident	53 Å²	53	61.8 Å²	61.8	28%	0.283	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-83.5	142	-176.9	-165.6	-59.3	0	0	0	111.3	G503 S544 S545	G503-N542 WeakPolarHBondContact O-CA 3.22Å; G503-N542 PolarHBondContact O-OD1 3.45Å; N542-S544 PolarHBondContact O-N 2.84Å; N542-S544 VanDerWaalsContact O-N 3.11Å; N542-S544 WeakPolarHBondContact OD1-CB 3.44Å; N542-S544 PolarHBondContact OD1-N 3.34Å; N542-S544 PolarHBondContact OD1-OG 2.86Å; N542-S545 WeakPolarHBondContact O-CB 3.29Å; N542-S545 PolarHBondContact O-N 2.88Å; N542-S545 PolarHBondContact O-OG 2.89Å
543	L	84.8	Confident	83.6	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-59.6	-21.1	175.1	-66.2	170.9	0	0	0	113.3	R477 V499 P500 G503 Y504 I505 D507 L508 S545 I546	R477-L543 PolarHBondContact NH1-O 3.08Å; V499-L543 HydrophobicContact CB-CD1 3.94Å; V499-L543 HydrophobicContact CG2-CD1 3.9Å; P500-L543 VanDerWaalsContact O-CD1 3.32Å; P500-L543 WeakPolarHBondContact O-CD1 3.16Å; G503-L543 PolarHBondContact O-N 2.8Å; Y504-L543 WeakPolarHBondContact O-CD2 3.48Å; Y504-L543 WeakPolarHBondContact O-CG 3.4Å; I505-L543 HydrophobicContact CD1-CD2 4.23Å; D507-L543 HydrophobicContact CB-CD1 4.44Å; L508-L543 HydrophobicContact CB-CD2 3.84Å; L508-L543 HydrophobicContact CD1-CD2 4.19Å; L543-S545 PolarHBondContact O-N 2.93Å; L543-S545 VanDerWaalsContact O-N 3.12Å; L543-I546 PolarHBondContact O-N 2.85Å
544	S	77.1	Confident	84	Confident	25 Å²	25	58.1 Å²	58.1	18%	0.175	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-64.8	-6	170.7	79.1	0	0	0	0	114.2	N542	N542-S544 PolarHBondContact O-N 2.84Å; N542-S544 VanDerWaalsContact O-N 3.11Å; N542-S544 WeakPolarHBondContact OD1-CB 3.44Å; N542-S544 PolarHBondContact OD1-N 3.34Å; N542-S544 PolarHBondContact OD1-OG 2.86Å
545	S	81.1	Confident	84.5	Confident	25 Å²	25	53.8 Å²	53.8	18%	0.175	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-87	-7.4	174.1	64.6	0	0	0	0	114.2	F537 N542 L543	F537-S545 WeakPolarHBondContact CE1-OG 3.04Å; N542-S545 WeakPolarHBondContact O-CB 3.29Å; N542-S545 PolarHBondContact O-N 2.88Å; N542-S545 PolarHBondContact O-OG 2.89Å; L543-S545 PolarHBondContact O-N 2.93Å; L543-S545 VanDerWaalsContact O-N 3.12Å
546	I	83.2	Confident	84.8	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	25%	0.254	C	S	.	.	S	Bend	trans	-100.1	114.6	171.8	-65.2	171	0	0	0	108.8	R477 L479 I505 L508 F537 L543 I552	R477-I546 PolarHBondContact NH1-O 2.96Å; R477-I546 PolarHBondContact NH2-O 2.84Å; L479-I546 HydrophobicContact CD1-CD1 4.44Å; L479-I546 HydrophobicContact CD2-CG2 3.84Å; I505-I546 HydrophobicContact CD1-CD1 3.64Å; I505-I546 HydrophobicContact CD1-CG1 4.34Å; L508-I546 HydrophobicContact CD1-CD1 3.81Å; F537-I546 HydrophobicContact CE1-CG1 3.97Å; F537-I546 HydrophobicContact CE2-CG1 4.33Å; F537-I546 HydrophobicContact CZ-CG1 3.74Å; L543-I546 PolarHBondContact O-N 2.85Å; I546-I552 HydrophobicContact CD1-CD1 4.25Å; I546-I552 HydrophobicContact CD1-CG1 4.28Å; I546-I552 HydrophobicContact CG1-CD1 4.03Å; I546-I552 HydrophobicContact CG1-CG1 4.4Å; I546-I552 HydrophobicContact CG2-CD1 3.96Å; I546-I552 HydrophobicContact CG2-CG1 3.68Å
547	M	78.9	Confident	84.8	Confident	79 Å²	79	49.8 Å²	49.8	39%	0.389	25%	0.25	S	C	.	.			trans	-80.2	168.9	173.2	-54.1	179.2	-75.8	0	0	110.8	R549 D550	M547-R549 HydrophobicContact CB-CG 4.28Å; M547-R549 PolarHBondContact O-N 3.46Å; M547-D550 WeakPolarHBondContact CB-OD2 3.34Å; M547-D550 WeakPolarHBondContact CE-OD1 3.37Å; M547-D550 PolarHBondContact N-OD2 2.79Å
548	E	70.2	Confident	84.2	Confident	183 Å²	183	52.3 Å²	52.3	86%	0.855	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-2.4	-178	-58.9	-173.1	148	0	0	114.1
549	R	76	Confident	83.5	Confident	202 Å²	202	51.1 Å²	51.1	76%	0.762	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	4.6	-179.6	66.9	173.4	176.9	-175.5	-3.3	113.6	M547	M547-R549 HydrophobicContact CB-CG 4.28Å; M547-R549 PolarHBondContact O-N 3.46Å
550	D	83.8	Confident	82.5	Confident	24 Å²	24	49 Å²	49	13%	0.128	25%	0.246	C	C	.	.			trans	-90.1	124.9	-173.9	-59.2	-11.1	0	0	0	108.7	M547 I552	M547-D550 WeakPolarHBondContact CB-OD2 3.34Å; M547-D550 WeakPolarHBondContact CE-OD1 3.37Å; M547-D550 PolarHBondContact N-OD2 2.79Å; D550-I552 HydrophobicContact CB-CD1 3.84Å; D550-I552 HydrophobicContact CB-CG1 4.32Å; D550-I552 PolarHBondContact O-N 2.66Å
551	D	87.3	Confident	81.3	Confident	81 Å²	81	48 Å²	48	43%	0.433	23%	0.233	S	C	.	.			trans	-77.9	89.5	178.6	-87.7	-52.5	0	0	0	109.8	I528 Y553	I528-D551 PolarHBondContact N-O 2.73Å; I528-D551 VanDerWaalsContact N-O 3.17Å; D551-Y553 HydrophobicContact CB-CE2 4.15Å; D551-Y553 WeakPolarHBondContact O-CD2 3.34Å; D551-Y553 PolarHBondContact O-N 2.94Å
552	I	93.9	Very high	79.9	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	109.3	-175	-58.1	-53.2	0	0	0	111.6	V481 Y482 V525 T526 D527 F537 I546 D550 V554	V481-I552 CarbonylContact C-O 3.58Å; V481-I552 WeakPolarHBondContact CA-O 3.43Å; V481-I552 HydrophobicContact CB-CB 4.5Å; V481-I552 HydrophobicContact CB-CG2 4.23Å; V481-I552 HydrophobicContact CG1-CB 4.04Å; V481-I552 HydrophobicContact CG1-CG2 3.73Å; Y482-I552 PolarHBondContact N-O 3.33Å; V525-I552 HydrophobicContact CG1-CG2 3.72Å; T526-I552 CarbonylContact O-C 3.54Å; T526-I552 WeakPolarHBondContact O-CA 3.34Å; D527-I552 HydrophobicContact CB-CD1 3.93Å; F537-I552 HydrophobicContact CE2-CD1 3.99Å; F537-I552 HydrophobicContact CZ-CD1 4.32Å; I546-I552 HydrophobicContact CD1-CD1 4.25Å; I546-I552 HydrophobicContact CD1-CG1 4.28Å; I546-I552 HydrophobicContact CG1-CD1 4.03Å; I546-I552 HydrophobicContact CG1-CG1 4.4Å; I546-I552 HydrophobicContact CG2-CD1 3.96Å; I546-I552 HydrophobicContact CG2-CG1 3.68Å; D550-I552 HydrophobicContact CB-CD1 3.84Å; D550-I552 HydrophobicContact CB-CG1 4.32Å; D550-I552 PolarHBondContact O-N 2.66Å; I552-V554 HydrophobicContact CG2-CG2 4.41Å
553	Y	93.3	Very high	78.5	Confident	41 Å²	41	56.7 Å²	56.7	16%	0.161	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.8	171.8	-75.1	-103.3	0	0	0	110.6	Y482 V484 T526 I528 D551 L593	Y482-Y553 HydrophobicContact CD2-CD1 4.48Å; Y482-Y553 HydrophobicContact CD2-CD2 4.15Å; Y482-Y553 HydrophobicContact CD2-CE1 4.11Å; Y482-Y553 AromaticContact CD2-CE2 3.75Å; Y482-Y553 HydrophobicContact CD2-CE2 3.75Å; Y482-Y553 HydrophobicContact CD2-CG 4.49Å; Y482-Y553 AromaticContact CD2-CZ 3.72Å; Y482-Y553 HydrophobicContact CE2-CE2 4.3Å; Y482-Y553 HydrophobicContact CG-CD1 4.31Å; Y482-Y553 AromaticContact CG-CE1 3.91Å; Y482-Y553 HydrophobicContact CG-CE1 3.91Å; Y482-Y553 HydrophobicContact CG-CE2 4.4Å; Y482-Y553 AromaticContact CG-CZ 3.96Å; Y482-Y553 CarbonylContact O-C 3.5Å; Y482-Y553 WeakPolarHBondContact O-CA 3.42Å; V484-Y553 HydrophobicContact CG2-CD1 3.89Å; T526-Y553 PolarHBondContact N-O 3.45Å; T526-Y553 PolarHBondContact O-N 2.95Å; T526-Y553 PolarHBondContact OG1-O 3.27Å; I528-Y553 HydrophobicContact CB-CD2 4.05Å; I528-Y553 HydrophobicContact CB-CE2 4.46Å; I528-Y553 HydrophobicContact CD1-CD1 4.32Å; I528-Y553 HydrophobicContact CD1-CD2 3.71Å; I528-Y553 HydrophobicContact CD1-CE2 4.42Å; I528-Y553 HydrophobicContact CD1-CG 3.66Å; I528-Y553 HydrophobicContact CG1-CD2 4.06Å; I528-Y553 HydrophobicContact CG1-CG 4.38Å; D551-Y553 HydrophobicContact CB-CE2 4.15Å; D551-Y553 WeakPolarHBondContact O-CD2 3.34Å; D551-Y553 PolarHBondContact O-N 2.94Å; Y553-L593 HydrophobicContact CD1-CD1 4.02Å; Y553-L593 HydrophobicContact CD1-CD2 4.44Å; Y553-L593 HydrophobicContact CE1-CD1 3.61Å; Y553-L593 HydrophobicContact CE1-CD2 4.19Å; Y553-L593 HydrophobicContact CE2-CD1 4.44Å
554	V	93.8	Very high	77.3	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	117.9	176.3	-171.1	0	0	0	0	109.1	V481 Y482 L483 V484 L508 L512 M523 I524 V525 I552	V481-V554 HydrophobicContact CB-CG2 4.29Å; V481-V554 HydrophobicContact CG2-CG2 4.37Å; Y482-V554 PolarHBondContact O-N 3.41Å; L483-V554 CarbonylContact C-O 3.54Å; L483-V554 WeakPolarHBondContact CA-O 3.45Å; L483-V554 HydrophobicContact CD1-CB 4.43Å; L483-V554 HydrophobicContact CD1-CG1 4.43Å; V484-V554 PolarHBondContact N-O 3.46Å; L508-V554 HydrophobicContact CD2-CG2 4.27Å; L512-V554 HydrophobicContact CD2-CB 3.84Å; L512-V554 HydrophobicContact CD2-CG1 3.85Å; L512-V554 HydrophobicContact CD2-CG2 3.87Å; M523-V554 HydrophobicContact CB-CG1 3.75Å; M523-V554 HydrophobicContact CG-CG1 4.02Å; M523-V554 HydrophobicContact SD-CG1 4.22Å; I524-V554 WeakPolarHBondContact O-CA 2.98Å; V525-V554 HydrophobicContact CG1-CG2 4.38Å; V525-V554 HydrophobicContact CG2-CG1 4.17Å; V525-V554 HydrophobicContact CG2-CG2 4.07Å; I552-V554 HydrophobicContact CG2-CG2 4.41Å
555	F	91.6	Very high	76.5	Confident	7 Å²	7	61.3 Å²	61.3	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.9	-178.3	-69.2	-97.2	0	0	0	111.4	V484 I524 T526 I528 F533 P594 F595 L596	V484-F555 HydrophobicContact CB-CD1 3.72Å; V484-F555 HydrophobicContact CB-CE1 3.89Å; V484-F555 HydrophobicContact CB-CG 4.3Å; V484-F555 HydrophobicContact CG1-CD1 3.75Å; V484-F555 HydrophobicContact CG1-CE1 3.8Å; V484-F555 HydrophobicContact CG2-CD1 4.18Å; V484-F555 HydrophobicContact CG2-CE1 3.87Å; V484-F555 HydrophobicContact CG2-CZ 4.13Å; I524-F555 PolarHBondContact N-O 3.14Å; I524-F555 PolarHBondContact O-N 2.93Å; T526-F555 HydrophobicContact CG2-CD2 4.29Å; T526-F555 WeakPolarHBondContact OG1-CE2 3.3Å; I528-F555 HydrophobicContact CD1-CE2 4Å; I528-F555 HydrophobicContact CD1-CZ 3.99Å; F533-F555 HydrophobicContact CE1-CD2 4.36Å; F533-F555 AromaticContact CE1-CE2 3.69Å; F533-F555 HydrophobicContact CE1-CE2 3.69Å; F533-F555 HydrophobicContact CE1-CZ 4.05Å; F533-F555 HydrophobicContact CZ-CE2 4.26Å; F533-F555 HydrophobicContact CZ-CZ 4.23Å; F555-P594 VanDerWaalsContact CZ-O 3.32Å; F555-P594 WeakPolarHBondContact CZ-O 3.31Å; F555-F595 HydrophobicContact CE1-CB 4.28Å; F555-L596 HydrophobicContact CB-CD1 3.93Å; F555-L596 HydrophobicContact CB-CG 4.31Å; F555-L596 HydrophobicContact CD1-CG 4.44Å; F555-L596 HydrophobicContact CD2-CD1 4.32Å; F555-L596 HydrophobicContact CD2-CG 4.38Å; F555-L596 HydrophobicContact CG-CD1 4.15Å; F555-L596 HydrophobicContact CG-CG 4.12Å
556	E	91.1	Very high	76	Confident	32 Å²	32	65.8 Å²	65.8	15%	0.15	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	121.3	167.6	-178.3	-179.3	-147.3	0	0	110.2	V484 R485 L486 V518 K522	V484-E556 PolarHBondContact O-N 2.64Å; R485-E556 WeakPolarHBondContact CA-OE2 3.38Å; R485-E556 IonicContact CZ-OE1 2.68Å; R485-E556 IonicContact CZ-OE2 3.01Å; R485-E556 IonicContact NE-OE1 2.66Å; R485-E556 IonicContact NE-OE2 2.77Å; R485-E556 PolarHBondContact NE-OE2 3.44Å; R485-E556 VanDerWaalsContact NH2-CD 3.33Å; R485-E556 IonicContact NH2-OE1 2.71Å; R485-E556 PolarHBondContact NH2-OE1 2.89Å; R485-E556 IonicContact NH2-OE2 3.22Å; R485-E556 PolarHBondContact NH2-OE2 3.02Å; R485-E556 VanDerWaalsContact NH2-OE2 3.13Å; L486-E556 HydrophobicContact CB-CB 4.49Å; L486-E556 HydrophobicContact CB-CG 4.04Å; L486-E556 WeakPolarHBondContact CB-OE2 3.42Å; L486-E556 PolarHBondContact N-OE2 3.13Å; V518-E556 HydrophobicContact CG1-CB 4.33Å; V518-E556 HydrophobicContact CG1-CG 3.89Å; K522-E556 WeakPolarHBondContact O-CA 3.41Å
557	V	86.6	Confident	75.7	Confident	6 Å²	6	68.9 Å²	68.9	4%	0.036	35%	0.349	C	S	.	.			trans	-109.8	147.9	175.4	-67.7	0	0	0	0	112.5	K522 I524 V559 V569	K522-V557 WeakPolarHBondContact CB-O 3.5Å; K522-V557 WeakPolarHBondContact O-CG2 3.32Å; K522-V557 PolarHBondContact O-N 2.8Å; I524-V557 HydrophobicContact CD1-CG1 3.66Å; I524-V557 HydrophobicContact CD1-CG2 4.06Å; I524-V557 HydrophobicContact CG1-CG1 4.16Å; I524-V557 HydrophobicContact CG1-CG2 4.14Å; V557-V559 PolarHBondContact O-N 3.42Å; V557-V569 HydrophobicContact CG1-CG1 4.32Å
558	A	73.9	Confident	75.5	Confident	56 Å²	56	65.8 Å²	65.8	46%	0.463	33%	0.334	S	S	.	.	S	Bend	trans	-69.2	-15.2	-178.5	0	0	0	0	0	114.4	L486	L486-A558 HydrophobicContact CD1-CB 4.06Å; L486-A558 HydrophobicContact CD2-CB 3.95Å
559	V	71.1	Confident	76	Confident	13 Å²	13	58.1 Å²	58.1	8%	0.079	30%	0.3	C	S	.	.	S	Bend	trans	-118.3	133.2	-159.3	175.3	0	0	0	0	109.7	V557 R561 D564 H567 A598	V557-V559 PolarHBondContact O-N 3.42Å; V559-R561 PolarHBondContact O-N 3.01Å; V559-D564 HydrophobicContact CG1-CB 3.71Å; V559-H567 HydrophobicContact CG1-CB 4.04Å; V559-H567 HydrophobicContact CG2-CB 3.79Å; V559-A598 HydrophobicContact CG2-CB 3.73Å
560	N	63.6	Low	76.3	Confident	26 Å²	26	48.5 Å²	48.5	14%	0.139	26%	0.264	C	S	.	.			trans	-76.9	120.3	172.8	-174.6	-4.8	0	0	0	110	V562 E563 D564	N560-V562 PolarHBondContact O-N 2.94Å; N560-V562 PolarHBondContact OD1-N 3.06Å; N560-E563 HydrophobicContact CB-CB 4.37Å; N560-E563 VanDerWaalsContact ND2-CD 3.29Å; N560-E563 PolarHBondContact ND2-OE2 2.94Å; N560-E563 PolarHBondContact O-N 2.83Å; N560-D564 PolarHBondContact O-N 3.41Å
561	R	58.1	Low	76.3	Confident	99 Å²	99	47.5 Å²	47.5	37%	0.374	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-18.3	-178.6	-80.1	178.8	151.7	-168.4	-8.8	115.3	V559	V559-R561 PolarHBondContact O-N 3.01Å
562	V	55.6	Low	76.3	Confident	131 Å²	131	43.7 Å²	43.7	79%	0.794	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.9	-21.1	-173	-172.5	0	0	0	0	113.3	N560	N560-V562 PolarHBondContact O-N 2.94Å; N560-V562 PolarHBondContact OD1-N 3.06Å
563	E	53.7	Low	76	Confident	157 Å²	157	44.4 Å²	44.4	73%	0.734	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.7	-29.3	-164.7	-62.4	-178.6	139.1	0	0	114.7	N560 A565	N560-E563 HydrophobicContact CB-CB 4.37Å; N560-E563 VanDerWaalsContact ND2-CD 3.29Å; N560-E563 PolarHBondContact ND2-OE2 2.94Å; N560-E563 PolarHBondContact O-N 2.83Å; E563-A565 PolarHBondContact O-N 2.64Å
564	D	59	Low	75.7	Confident	57 Å²	57	42.5 Å²	42.5	31%	0.305	23%	0.234	S	C	.	.			trans	-99.9	92.5	-171.9	-177.7	-14.3	0	0	0	110.7	V559 N560 D566 H567	V559-D564 HydrophobicContact CG1-CB 3.71Å; N560-D564 PolarHBondContact O-N 3.41Å; D564-D566 VanDerWaalsContact C-N 3.34Å; D564-D566 PolarHBondContact OD1-N 2.82Å; D564-H567 VanDerWaalsContact CG-ND1 3.34Å; D564-H567 IonicContact OD1-CE1 2.96Å; D564-H567 IonicContact OD1-CG 3.7Å; D564-H567 IonicContact OD1-ND1 2.72Å; D564-H567 PolarHBondContact OD1-ND1 2.81Å; D564-H567 IonicContact OD2-CE1 3.77Å; D564-H567 IonicContact OD2-ND1 3.25Å; D564-H567 PolarHBondContact OD2-ND1 2.83Å; D564-H567 VanDerWaalsContact OD2-ND1 3.13Å
565	A	61.4	Low	75.4	Confident	65 Å²	65	44 Å²	44	54%	0.537	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-10.7	-176.3	0	0	0	0	0	114.4	E563 R601	E563-A565 PolarHBondContact O-N 2.64Å; A565-R601 PolarHBondContact O-NE 2.93Å; A565-R601 PolarHBondContact O-NH2 3.36Å
566	D	70.4	Confident	75.1	Confident	119 Å²	119	45 Å²	45	64%	0.636	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-12.9	-173.2	-76.5	-31.2	0	0	0	113.4	D564 R601	D564-D566 VanDerWaalsContact C-N 3.34Å; D564-D566 PolarHBondContact OD1-N 2.82Å; D566-R601 WeakPolarHBondContact O-CG 3.41Å; D566-R601 PolarHBondContact O-N 2.99Å
567	H	75.8	Confident	74.6	Confident	67 Å²	67	48 Å²	48	31%	0.31	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	153.2	-175.9	-62.7	92.1	0	0	0	113	V559 D564 V599	V559-H567 HydrophobicContact CG1-CB 4.04Å; V559-H567 HydrophobicContact CG2-CB 3.79Å; D564-H567 VanDerWaalsContact CG-ND1 3.34Å; D564-H567 IonicContact OD1-CE1 2.96Å; D564-H567 IonicContact OD1-CG 3.7Å; D564-H567 IonicContact OD1-ND1 2.72Å; D564-H567 PolarHBondContact OD1-ND1 2.81Å; D564-H567 IonicContact OD2-CE1 3.77Å; D564-H567 IonicContact OD2-ND1 3.25Å; D564-H567 PolarHBondContact OD2-ND1 2.83Å; D564-H567 VanDerWaalsContact OD2-ND1 3.13Å; H567-V599 CarbonylContact C-O 3.49Å; H567-V599 WeakPolarHBondContact CA-O 3.49Å
568	V	75.9	Confident	73.9	Confident	14 Å²	14	54.5 Å²	54.5	9%	0.085	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133.5	175.4	180	0	0	0	0	108.6	I570 A598 V599 R601 F742 L747	V568-I570 HydrophobicContact CG1-CG1 4.16Å; V568-A598 WeakPolarHBondContact O-CA 3.34Å; V568-V599 PolarHBondContact N-O 3.4Å; V568-V599 PolarHBondContact O-N 3.28Å; V568-R601 HydrophobicContact CG2-CG 3.85Å; V568-F742 HydrophobicContact CG2-CB 3.98Å; V568-L747 HydrophobicContact CG1-CB 3.92Å; V568-L747 HydrophobicContact CG1-CD1 4.05Å
569	V	80.8	Confident	73	Confident	22 Å²	22	59 Å²	59	13%	0.133	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	121.9	172.5	-176.2	0	0	0	0	109	I524 V557 L596 I597 A598 L749	I524-V569 HydrophobicContact CD1-CG1 4.15Å; V557-V569 HydrophobicContact CG1-CG1 4.32Å; V569-L596 HydrophobicContact CG1-CB 4Å; V569-L596 HydrophobicContact CG1-CD1 4.46Å; V569-I597 WeakPolarHBondContact CA-O 3.36Å; V569-A598 HydrophobicContact CG2-CB 4.34Å; V569-L749 HydrophobicContact CB-CD1 4.3Å; V569-L749 HydrophobicContact CB-CD2 4.29Å; V569-L749 HydrophobicContact CG1-CD1 4.49Å; V569-L749 HydrophobicContact CG1-CD2 4.11Å; V569-L749 WeakPolarHBondContact O-CD2 3.33Å
570	I	81.3	Confident	72	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.7	-177.7	-58.3	177.8	0	0	0	108.9	V568 I597 V599 F722 F742 L747 L755	V568-I570 HydrophobicContact CG1-CG1 4.16Å; I570-I597 HydrophobicContact CB-CG2 4.14Å; I570-I597 PolarHBondContact N-O 3.47Å; I570-I597 PolarHBondContact O-N 3.11Å; I570-V599 HydrophobicContact CD1-CG2 3.48Å; I570-V599 VanDerWaalsContact CD1-CG2 3.48Å; I570-V599 HydrophobicContact CG1-CG2 4.08Å; I570-F722 HydrophobicContact CD1-CE1 4.13Å; I570-F722 HydrophobicContact CD1-CZ 4.34Å; I570-F722 HydrophobicContact CG2-CE1 4.3Å; I570-F742 HydrophobicContact CD1-CE1 4.06Å; I570-F742 HydrophobicContact CD1-CE2 4.12Å; I570-F742 HydrophobicContact CD1-CZ 3.73Å; I570-L747 HydrophobicContact CD1-CD1 4.2Å; I570-L747 HydrophobicContact CG1-CD1 4.27Å; I570-L755 HydrophobicContact CG2-CB 3.77Å; I570-L755 HydrophobicContact CG2-CD2 4.37Å
571	P	85.2	Confident	70.8	Confident	3 Å²	3	70.6 Å²	70.6	2%	0.019	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	133.7	171.6	33.5	-30.7	0	0	0	110.6	F533 L596 L749 S753 Y754 L755	F533-P571 HydrophobicContact CD2-CB 3.83Å; F533-P571 HydrophobicContact CE2-CB 3.78Å; P571-L596 HydrophobicContact CB-CD2 3.67Å; P571-L749 HydrophobicContact CG-CD2 4.49Å; P571-S753 VanDerWaalsContact CG-O 3.25Å; P571-S753 WeakPolarHBondContact CG-O 3.37Å; P571-Y754 HydrophobicContact CB-CD1 3.79Å; P571-Y754 HydrophobicContact CB-CE1 4Å; P571-Y754 HydrophobicContact CG-CD1 3.64Å; P571-Y754 HydrophobicContact CG-CE1 3.99Å; P571-L755 PolarHBondContact O-N 2.82Å
572	V	85.9	Confident	69.9	Low	0 Å²	0	69.1 Å²	69.1	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137.5	-171.2	-169	0	0	0	0	110.2	P594 F595 I597 L612 L755 L757	V572-P594 CarbonylContact O-C 3.57Å; V572-P594 VanDerWaalsContact O-CA 3.28Å; V572-P594 WeakPolarHBondContact O-CA 3.48Å; V572-P594 VanDerWaalsContact O-CB 3.27Å; V572-P594 WeakPolarHBondContact O-CB 3.48Å; V572-F595 HydrophobicContact CB-CD1 4.23Å; V572-F595 HydrophobicContact CB-CD2 4.14Å; V572-F595 HydrophobicContact CB-CE1 3.97Å; V572-F595 HydrophobicContact CB-CE2 3.88Å; V572-F595 HydrophobicContact CB-CG 4.32Å; V572-F595 HydrophobicContact CB-CZ 3.81Å; V572-F595 WeakPolarHBondContact CB-O 3.48Å; V572-F595 HydrophobicContact CG1-CD1 4.46Å; V572-F595 HydrophobicContact CG1-CE1 3.75Å; V572-F595 HydrophobicContact CG1-CE2 4.13Å; V572-F595 HydrophobicContact CG1-CZ 3.58Å; V572-F595 HydrophobicContact CG2-CD2 4.21Å; V572-F595 HydrophobicContact CG2-CE2 3.83Å; V572-F595 HydrophobicContact CG2-CZ 4.15Å; V572-F595 PolarHBondContact N-O 3.02Å; V572-F595 PolarHBondContact O-N 3.49Å; V572-I597 HydrophobicContact CG2-CB 4.48Å; V572-I597 HydrophobicContact CG2-CG2 3.69Å; V572-L612 HydrophobicContact CG1-CD2 4.15Å; V572-L612 HydrophobicContact CG2-CD2 4.07Å; V572-L755 WeakPolarHBondContact CA-O 3.44Å; V572-L755 WeakPolarHBondContact CG1-O 3.32Å; V572-L755 HydrophobicContact CG2-CB 4.36Å; V572-L755 HydrophobicContact CG2-CD2 4.38Å; V572-L757 HydrophobicContact CG1-CD1 3.71Å; V572-L757 HydrophobicContact CG1-CD2 3.95Å; V572-L757 HydrophobicContact CG1-CG 3.6Å
573	H	87.6	Confident	69.4	Low	17 Å²	17	74.1 Å²	74.1	8%	0.079	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	158.2	171.2	75.1	89.5	0	0	0	110.9	L590 P594 L755 S756 L757	H573-L590 WeakPolarHBondContact ND1-CD2 3.42Å; H573-P594 HydrophobicContact CB-CB 4.14Å; H573-L755 PolarHBondContact N-O 3.28Å; H573-L755 VanDerWaalsContact N-O 3.14Å; H573-S756 PolarHBondContact CE1-OG 2.88Å; H573-S756 PolarHBondContact NE2-OG 3.17Å; H573-S756 WeakPolarHBondContact O-CA 3.37Å; H573-L757 PolarHBondContact O-N 2.91Å
574	L	87.6	Confident	68.5	Low	1 Å²	1	73.3 Å²	73.3	1%	0.005	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	148.5	180	-57	75.1	0	0	0	109.9	L590 F591 F595 L616 L757 F768	L574-L590 WeakPolarHBondContact O-CA 3.4Å; L574-F591 HydrophobicContact CB-CD1 4.15Å; L574-F591 HydrophobicContact CB-CD2 4.3Å; L574-F591 HydrophobicContact CB-CE1 3.84Å; L574-F591 HydrophobicContact CB-CE2 4Å; L574-F591 HydrophobicContact CB-CG 4.38Å; L574-F591 HydrophobicContact CB-CZ 3.76Å; L574-F591 HydrophobicContact CD2-CD2 4.26Å; L574-F591 HydrophobicContact CD2-CE2 3.59Å; L574-F591 HydrophobicContact CD2-CZ 3.9Å; L574-F591 HydrophobicContact CG-CE2 4.46Å; L574-F591 HydrophobicContact CG-CZ 4.49Å; L574-F591 PolarHBondContact O-N 3.31Å; L574-F595 HydrophobicContact CD1-CE1 4.35Å; L574-L616 HydrophobicContact CD1-CD2 4.48Å; L574-L616 HydrophobicContact CD2-CD1 4.23Å; L574-L616 HydrophobicContact CD2-CD2 4.18Å; L574-L757 HydrophobicContact CG-CB 4.49Å; L574-L757 HydrophobicContact CG-CD1 4.45Å; L574-F768 HydrophobicContact CD2-CD2 4.29Å; L574-F768 HydrophobicContact CD2-CE2 3.49Å; L574-F768 VanDerWaalsContact CD2-CE2 3.49Å; L574-F768 HydrophobicContact CD2-CZ 3.93Å
575	R	87.6	Confident	67.7	Low	32 Å²	32	79.7 Å²	79.7	12%	0.121	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	149.5	176.1	71	-177.2	-174.1	-172.2	-2.6	112	T588 P589 L590 N723 L757 D758 W759	R575-T588 HydrophobicContact CB-CG2 3.97Å; R575-T588 HydrophobicContact CG-CG2 4.08Å; R575-P589 VanDerWaalsContact CA-O 3.28Å; R575-P589 WeakPolarHBondContact CA-O 3.12Å; R575-L590 HydrophobicContact CB-CD2 3.7Å; R575-N723 PolarHBondContact NH1-ND2 3.23Å; R575-L757 PolarHBondContact N-O 2.8Å; R575-D758 IonicContact CZ-OD1 2.65Å; R575-D758 VanDerWaalsContact CZ-OD1 3.25Å; R575-D758 IonicContact CZ-OD2 2.64Å; R575-D758 IonicContact NE-OD1 3.2Å; R575-D758 PolarHBondContact NE-OD1 3.26Å; R575-D758 IonicContact NE-OD2 2.8Å; R575-D758 VanDerWaalsContact NH2-CG 3.25Å; R575-D758 IonicContact NH2-OD1 3.73Å; R575-D758 PolarHBondContact NH2-OD1 2.99Å; R575-D758 IonicContact NH2-OD2 3.87Å; R575-D758 PolarHBondContact NH2-OD2 3.31Å; R575-W759 PolarHBondContact O-N 3.4Å
576	E	85.6	Confident	66.7	Low	28 Å²	28	82.4 Å²	82.4	13%	0.131	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	126.1	179.1	-59.7	-177.1	161.2	0	0	112.6	Y578 T588 P589 F591 K764	E576-Y578 HydrophobicContact CB-CD2 4.28Å; E576-Y578 HydrophobicContact CB-CE2 3.86Å; E576-Y578 PolarHBondContact O-N 2.93Å; E576-Y578 WeakPolarHBondContact OE2-CE2 3.17Å; E576-Y578 PolarHBondContact OE2-OH 3.34Å; E576-Y578 VanDerWaalsContact OE2-OH 3.11Å; E576-T588 WeakPolarHBondContact O-CG2 3.49Å; E576-P589 HydrophobicContact CB-CG 4.15Å; E576-P589 PolarHBondContact N-O 3.08Å; E576-P589 VanDerWaalsContact N-O 3.07Å; E576-F591 HydrophobicContact CG-CD1 3.78Å; E576-F591 HydrophobicContact CG-CE1 3.76Å; E576-K764 HydrophobicContact CG-CD 3.97Å; E576-K764 WeakPolarHBondContact OE1-CD 3.42Å; E576-K764 WeakPolarHBondContact OE1-CE 3.49Å; E576-K764 IonicContact OE1-NZ 3.42Å; E576-K764 PolarHBondContact OE1-NZ 2.91Å
577	K	79.5	Confident	66.1	Low	95 Å²	95	82.1 Å²	82.1	41%	0.413	42%	0.424	S	S	.	.			trans	-93.8	86.4	-174.4	-171.1	179.2	178	-178.9	0	111.9	D758 W759	K577-D758 HydrophobicContact CB-CB 4.34Å; K577-D758 HydrophobicContact CD-CB 4.08Å; K577-W759 PolarHBondContact N-O 2.8Å
578	Y	72.1	Confident	65.9	Low	142 Å²	142	82.1 Å²	82.1	56%	0.557	43%	0.429	S	S	*	.			trans	-69	140.2	170.4	-71.4	-89.1	0	0	0	112.1	E576 Q580 P589 P761	E576-Y578 HydrophobicContact CB-CD2 4.28Å; E576-Y578 HydrophobicContact CB-CE2 3.86Å; E576-Y578 PolarHBondContact O-N 2.93Å; E576-Y578 WeakPolarHBondContact OE2-CE2 3.17Å; E576-Y578 PolarHBondContact OE2-OH 3.34Å; E576-Y578 VanDerWaalsContact OE2-OH 3.11Å; Y578-Q580 PolarHBondContact O-N 3.12Å; Y578-P589 HydrophobicContact CD2-CG 4.41Å; Y578-P589 HydrophobicContact CE2-CG 3.79Å; Y578-P761 HydrophobicContact CD1-CG 4.4Å; Y578-P761 HydrophobicContact CE1-CG 4.2Å
579	K	56.3	Low	66.1	Low	151 Å²	151	84 Å²	84	66%	0.657	44%	0.441	S	S	*	.			trans	-77.4	105.2	173.6	-69.6	162.5	-173.6	145.1	0	108.5	S581 E762	K579-S581 PolarHBondContact O-N 3.19Å; K579-E762 IonicContact NZ-OE1 2.79Å
580	Q	49.8	Very low	66.3	Low	163 Å²	163	85.2 Å²	85.2	76%	0.762	45%	0.447	S	S	*	.			trans	-64.8	121.4	-176.4	-68.3	174.4	-58.2	0	0	111.8	Y578	Y578-Q580 PolarHBondContact O-N 3.12Å
581	S	38.3	Very low	66.5	Low	119 Å²	119	85.5 Å²	85.5	83%	0.832	45%	0.448	S	S	*	.			trans	-121.3	107.4	165.3	61.1	0	0	0	0	109.5	K579	K579-S581 PolarHBondContact O-N 3.19Å
582	G	39.4	Very low	66.4	Low	68 Å²	68	85.6 Å²	85.6	70%	0.701	45%	0.45	S	S	*	.	S	Bend	trans	100.9	157.4	178.5	0	0	0	0	0	114.7	N584	G582-N584 PolarHBondContact O-N 3.34Å
583	Y	45.3	Very low	66.3	Low	236 Å²	236	86.9 Å²	86.9	93%	0.925	46%	0.456	S	S	*	.	S	Bend	trans	-71.8	106.3	174.7	-93.9	-118.9	0	0	0	110.1
584	N	34.8	Very low	66.3	Low	141 Å²	141	86.1 Å²	86.1	75%	0.754	45%	0.453	S	S	*	.			trans	-168.5	131.7	149.5	-97.7	-32.1	0	0	0	109.5	G582 T586	G582-N584 PolarHBondContact O-N 3.34Å; N584-T586 VanDerWaalsContact C-N 3.34Å; N584-T586 PolarHBondContact O-N 2.64Å; N584-T586 VanDerWaalsContact O-N 3.1Å
585	H	41	Very low	66.3	Low	191 Å²	191	87 Å²	87	88%	0.884	46%	0.456	S	S	*	.			trans	-85.2	73.1	177.9	-80.6	-73.2	0	0	0	111.2
586	T	41.3	Very low	66.3	Low	121 Å²	121	86 Å²	86	74%	0.742	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-68.1	141.1	164.1	49.7	0	0	0	0	110.2	N584 T588	N584-T586 VanDerWaalsContact C-N 3.34Å; N584-T586 PolarHBondContact O-N 2.64Å; N584-T586 VanDerWaalsContact O-N 3.1Å; T586-T588 PolarHBondContact O-N 3.12Å
587	S	57.3	Low	66.3	Low	113 Å²	113	84.9 Å²	84.9	79%	0.79	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-65.8	129.7	174	39.4	0	0	0	0	110.1
588	T	71.1	Confident	66.6	Low	67 Å²	67	81.5 Å²	81.5	41%	0.411	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-63.7	121.2	175.6	-41.9	0	0	0	0	109.2	R575 E576 T586 L590	R575-T588 HydrophobicContact CB-CG2 3.97Å; R575-T588 HydrophobicContact CG-CG2 4.08Å; E576-T588 WeakPolarHBondContact O-CG2 3.49Å; T586-T588 PolarHBondContact O-N 3.12Å; T588-L590 PolarHBondContact O-N 3.31Å
589	P	81.2	Confident	67	Low	54 Å²	54	74.8 Å²	74.8	35%	0.351	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-68.1	138	-174.7	26.2	-32	0	0	0	110.7	R575 E576 Y578	R575-P589 VanDerWaalsContact CA-O 3.28Å; R575-P589 WeakPolarHBondContact CA-O 3.12Å; E576-P589 HydrophobicContact CB-CG 4.15Å; E576-P589 PolarHBondContact N-O 3.08Å; E576-P589 VanDerWaalsContact N-O 3.07Å; Y578-P589 HydrophobicContact CD2-CG 4.41Å; Y578-P589 HydrophobicContact CE2-CG 3.79Å
590	L	85.2	Confident	68.2	Low	47 Å²	47	69.7 Å²	69.7	25%	0.246	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	151.9	177.5	-53.9	-170.9	0	0	0	109.4	H531 R532 H573 L574 R575 T588	H531-L590 HydrophobicContact CB-CB 3.73Å; H531-L590 PolarHBondContact CD2-O 2.91Å; R532-L590 HydrophobicContact CB-CD1 4.02Å; R532-L590 HydrophobicContact CG-CD1 4.47Å; H573-L590 WeakPolarHBondContact ND1-CD2 3.42Å; L574-L590 WeakPolarHBondContact O-CA 3.4Å; R575-L590 HydrophobicContact CB-CD2 3.7Å; T588-L590 PolarHBondContact O-N 3.31Å
591	F	84.8	Confident	69.5	Low	7 Å²	7	65.1 Å²	65.1	3%	0.031	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	167.6	179.1	69.5	-86.7	0	0	0	111.9	L574 E576 W759 K764 F768	L574-F591 HydrophobicContact CB-CD1 4.15Å; L574-F591 HydrophobicContact CB-CD2 4.3Å; L574-F591 HydrophobicContact CB-CE1 3.84Å; L574-F591 HydrophobicContact CB-CE2 4Å; L574-F591 HydrophobicContact CB-CG 4.38Å; L574-F591 HydrophobicContact CB-CZ 3.76Å; L574-F591 HydrophobicContact CD2-CD2 4.26Å; L574-F591 HydrophobicContact CD2-CE2 3.59Å; L574-F591 HydrophobicContact CD2-CZ 3.9Å; L574-F591 HydrophobicContact CG-CE2 4.46Å; L574-F591 HydrophobicContact CG-CZ 4.49Å; L574-F591 PolarHBondContact O-N 3.31Å; E576-F591 HydrophobicContact CG-CD1 3.78Å; E576-F591 HydrophobicContact CG-CE1 3.76Å; F591-W759 HydrophobicContact CE1-CB 4.31Å; F591-W759 HydrophobicContact CE1-CG 4.41Å; F591-W759 HydrophobicContact CZ-CB 4.05Å; F591-W759 AromaticContact CZ-CD1 3.69Å; F591-W759 HydrophobicContact CZ-CD2 4.38Å; F591-W759 AromaticContact CZ-CG 3.78Å; F591-W759 HydrophobicContact CZ-CG 3.78Å; F591-K764 HydrophobicContact CD1-CD 4.22Å; F591-K764 HydrophobicContact CD2-CD 4.17Å; F591-K764 HydrophobicContact CE1-CD 3.89Å; F591-K764 HydrophobicContact CE2-CD 3.84Å; F591-K764 HydrophobicContact CE2-CG 4.07Å; F591-K764 HydrophobicContact CG-CD 4.35Å; F591-K764 HydrophobicContact CZ-CD 3.68Å; F591-K764 HydrophobicContact CZ-CG 3.97Å; F591-F768 HydrophobicContact CD2-CD1 4.13Å; F591-F768 AromaticContact CD2-CE1 3.79Å; F591-F768 HydrophobicContact CD2-CE1 3.79Å; F591-F768 HydrophobicContact CD2-CZ 4.04Å; F591-F768 AromaticContact CE2-CD1 3.79Å; F591-F768 HydrophobicContact CE2-CD1 3.79Å; F591-F768 AromaticContact CE2-CD2 3.96Å; F591-F768 HydrophobicContact CE2-CD2 3.96Å; F591-F768 AromaticContact CE2-CE1 3.74Å; F591-F768 HydrophobicContact CE2-CE1 3.74Å; F591-F768 AromaticContact CE2-CE2 3.91Å; F591-F768 HydrophobicContact CE2-CE2 3.91Å; F591-F768 AromaticContact CE2-CG 3.91Å; F591-F768 HydrophobicContact CE2-CG 3.91Å; F591-F768 AromaticContact CE2-CZ 3.8Å; F591-F768 HydrophobicContact CE2-CZ 3.8Å
592	G	83.6	Confident	71.3	Confident	5 Å²	5	63.4 Å²	63.4	5%	0.052	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	72.9	-177.2	177.9	0	0	0	0	0	114.2	H531	H531-G592 PolarHBondContact ND1-N 3.45Å; H531-G592 PolarHBondContact ND1-O 2.6Å
593	L	83.6	Confident	73.3	Confident	27 Å²	27	60.7 Å²	60.7	14%	0.141	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	120.9	172.4	-172.2	71.1	0	0	0	109.2	V484 P492 I528 Y553 V773	V484-L593 HydrophobicContact CG2-CD2 4.27Å; P492-L593 HydrophobicContact CG-CD2 4.42Å; I528-L593 HydrophobicContact CD1-CD1 3.94Å; Y553-L593 HydrophobicContact CD1-CD1 4.02Å; Y553-L593 HydrophobicContact CD1-CD2 4.44Å; Y553-L593 HydrophobicContact CE1-CD1 3.61Å; Y553-L593 HydrophobicContact CE1-CD2 4.19Å; Y553-L593 HydrophobicContact CE2-CD1 4.44Å; L593-V773 HydrophobicContact CB-CG1 4.45Å
594	P	87.7	Confident	75	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	148.7	172.5	32.1	-36.3	0	0	0	109.9	I528 F533 F555 V572 H573	I528-P594 HydrophobicContact CD1-CG 3.94Å; I528-P594 HydrophobicContact CG1-CG 4.33Å; I528-P594 HydrophobicContact CG2-CG 3.94Å; F533-P594 HydrophobicContact CD2-CB 4.16Å; F533-P594 HydrophobicContact CE2-CB 3.76Å; F533-P594 HydrophobicContact CE2-CG 4.36Å; F533-P594 HydrophobicContact CZ-CB 4.09Å; F533-P594 HydrophobicContact CZ-CG 4.36Å; F555-P594 VanDerWaalsContact CZ-O 3.32Å; F555-P594 WeakPolarHBondContact CZ-O 3.31Å; V572-P594 CarbonylContact O-C 3.57Å; V572-P594 VanDerWaalsContact O-CA 3.28Å; V572-P594 WeakPolarHBondContact O-CA 3.48Å; V572-P594 VanDerWaalsContact O-CB 3.27Å; V572-P594 WeakPolarHBondContact O-CB 3.48Å; H573-P594 HydrophobicContact CB-CB 4.14Å
595	F	88.1	Confident	77.1	Confident	19 Å²	19	46.6 Å²	46.6	8%	0.083	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	158.9	-170.5	65.7	-89.3	0	0	0	113	F555 V572 L574 I597 L612 R615 L616 L757	F555-F595 HydrophobicContact CE1-CB 4.28Å; V572-F595 HydrophobicContact CB-CD1 4.23Å; V572-F595 HydrophobicContact CB-CD2 4.14Å; V572-F595 HydrophobicContact CB-CE1 3.97Å; V572-F595 HydrophobicContact CB-CE2 3.88Å; V572-F595 HydrophobicContact CB-CG 4.32Å; V572-F595 HydrophobicContact CB-CZ 3.81Å; V572-F595 WeakPolarHBondContact CB-O 3.48Å; V572-F595 HydrophobicContact CG1-CD1 4.46Å; V572-F595 HydrophobicContact CG1-CE1 3.75Å; V572-F595 HydrophobicContact CG1-CE2 4.13Å; V572-F595 HydrophobicContact CG1-CZ 3.58Å; V572-F595 HydrophobicContact CG2-CD2 4.21Å; V572-F595 HydrophobicContact CG2-CE2 3.83Å; V572-F595 HydrophobicContact CG2-CZ 4.15Å; V572-F595 PolarHBondContact N-O 3.02Å; V572-F595 PolarHBondContact O-N 3.49Å; L574-F595 HydrophobicContact CD1-CE1 4.35Å; F595-I597 HydrophobicContact CD2-CB 4.46Å; F595-I597 HydrophobicContact CE2-CB 4.27Å; F595-L612 HydrophobicContact CE2-CD2 4.16Å; F595-L612 HydrophobicContact CZ-CD2 4.04Å; F595-R615 HydrophobicContact CD2-CB 4.02Å; F595-R615 HydrophobicContact CD2-CG 4.11Å; F595-R615 HydrophobicContact CE2-CB 3.5Å; F595-R615 HydrophobicContact CE2-CG 3.79Å; F595-R615 HydrophobicContact CZ-CB 3.88Å; F595-L616 HydrophobicContact CD1-CD2 4.33Å; F595-L616 HydrophobicContact CE1-CD2 3.73Å; F595-L616 HydrophobicContact CE1-CG 4.14Å; F595-L616 HydrophobicContact CZ-CD2 4.43Å; F595-L616 HydrophobicContact CZ-CG 4.38Å; F595-L757 HydrophobicContact CE1-CD1 4.21Å; F595-L757 HydrophobicContact CZ-CD1 4.18Å
596	L	86.9	Confident	78.9	Confident	11 Å²	11	40.7 Å²	40.7	6%	0.058	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	138.6	174.4	-55.1	-174.7	0	0	0	110.1	I524 F533 F555 V569 P571	I524-L596 HydrophobicContact CB-CD1 3.73Å; I524-L596 HydrophobicContact CD1-CD1 3.72Å; I524-L596 HydrophobicContact CG1-CD1 4.24Å; I524-L596 HydrophobicContact CG2-CD1 3.55Å; F533-L596 HydrophobicContact CE1-CD2 4.07Å; F533-L596 HydrophobicContact CE1-CG 4.44Å; F533-L596 HydrophobicContact CE2-CD2 3.75Å; F533-L596 HydrophobicContact CZ-CD2 3.47Å; F533-L596 VanDerWaalsContact CZ-CD2 3.47Å; F533-L596 HydrophobicContact CZ-CG 3.98Å; F555-L596 HydrophobicContact CB-CD1 3.93Å; F555-L596 HydrophobicContact CB-CG 4.31Å; F555-L596 HydrophobicContact CD1-CG 4.44Å; F555-L596 HydrophobicContact CD2-CD1 4.32Å; F555-L596 HydrophobicContact CD2-CG 4.38Å; F555-L596 HydrophobicContact CG-CD1 4.15Å; F555-L596 HydrophobicContact CG-CG 4.12Å; V569-L596 HydrophobicContact CG1-CB 4Å; V569-L596 HydrophobicContact CG1-CD1 4.46Å; P571-L596 HydrophobicContact CB-CD2 3.67Å
597	I	85.5	Confident	80.9	Confident	6 Å²	6	41.1 Å²	41.1	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	126.2	175.6	-163.3	173.6	0	0	0	111.1	V569 I570 V572 F595 V599 M611 L612 R615	V569-I597 WeakPolarHBondContact CA-O 3.36Å; I570-I597 HydrophobicContact CB-CG2 4.14Å; I570-I597 PolarHBondContact N-O 3.47Å; I570-I597 PolarHBondContact O-N 3.11Å; V572-I597 HydrophobicContact CG2-CB 4.48Å; V572-I597 HydrophobicContact CG2-CG2 3.69Å; F595-I597 HydrophobicContact CD2-CB 4.46Å; F595-I597 HydrophobicContact CE2-CB 4.27Å; I597-V599 HydrophobicContact CD1-CG1 4.45Å; I597-V599 HydrophobicContact CG1-CG1 4.26Å; I597-V599 HydrophobicContact CG2-CG1 4.3Å; I597-M611 HydrophobicContact CD1-CB 3.91Å; I597-L612 HydrophobicContact CD1-CD2 4.08Å; I597-L612 HydrophobicContact CD1-CG 4.46Å; I597-L612 HydrophobicContact CG2-CD2 4.34Å; I597-R615 HydrophobicContact CD1-CG 3.88Å; I597-R615 HydrophobicContact CG1-CG 4.21Å
598	A	84.6	Confident	82.1	Confident	24 Å²	24	35.7 Å²	35.7	20%	0.198	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	128.5	170.1	0	0	0	0	0	109.8	V559 V568 V569 M611	V559-A598 HydrophobicContact CG2-CB 3.73Å; V568-A598 WeakPolarHBondContact O-CA 3.34Å; V569-A598 HydrophobicContact CG2-CB 4.34Å; A598-M611 WeakPolarHBondContact O-CE 3.08Å
599	V	82.1	Confident	82.8	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	147.4	179.7	-63.4	0	0	0	0	110.8	H567 V568 I570 I597 L603 L608 M611 F742	H567-V599 CarbonylContact C-O 3.49Å; H567-V599 WeakPolarHBondContact CA-O 3.49Å; V568-V599 PolarHBondContact N-O 3.4Å; V568-V599 PolarHBondContact O-N 3.28Å; I570-V599 HydrophobicContact CD1-CG2 3.48Å; I570-V599 VanDerWaalsContact CD1-CG2 3.48Å; I570-V599 HydrophobicContact CG1-CG2 4.08Å; I597-V599 HydrophobicContact CD1-CG1 4.45Å; I597-V599 HydrophobicContact CG1-CG1 4.26Å; I597-V599 HydrophobicContact CG2-CG1 4.3Å; V599-L603 HydrophobicContact CB-CD2 4.13Å; V599-L603 HydrophobicContact CG1-CD2 4.22Å; V599-L608 HydrophobicContact CG1-CD1 3.97Å; V599-M611 HydrophobicContact CG1-CE 3.92Å; V599-M611 HydrophobicContact CG1-SD 4.43Å; V599-F742 HydrophobicContact CG2-CD2 4.08Å; V599-F742 HydrophobicContact CG2-CE2 3.56Å; V599-F742 HydrophobicContact CG2-CZ 4.29Å
600	P	81.9	Confident	83	Confident	45 Å²	45	35.3 Å²	35.3	29%	0.292	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	149.4	172.6	-21.6	33.4	0	0	0	111.6	T602	P600-T602 PolarHBondContact O-N 2.93Å
601	R	76.1	Confident	82.9	Confident	67 Å²	67	36.2 Å²	36.2	25%	0.253	19%	0.189	S	C	.	.	S	Bend	trans	-55.8	-20.9	177.8	-80.8	-173.3	-170.9	-80.9	2.8	115.5	A565 D566 V568 R741 F742 E744	A565-R601 PolarHBondContact O-NE 2.93Å; A565-R601 PolarHBondContact O-NH2 3.36Å; D566-R601 WeakPolarHBondContact O-CG 3.41Å; D566-R601 PolarHBondContact O-N 2.99Å; V568-R601 HydrophobicContact CG2-CG 3.85Å; R601-R741 CarbonylContact O-C 3.47Å; R601-R741 WeakPolarHBondContact O-CA 3.47Å; R601-F742 PolarHBondContact NH1-O 3.49Å; R601-F742 PolarHBondContact O-N 2.87Å; R601-E744 IonicContact NH2-OE1 2.66Å
602	T	75.5	Confident	83	Confident	82 Å²	82	35.9 Å²	35.9	50%	0.503	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	124.5	172.9	68.2	0	0	0	0	110.1	P600 I740 R741	P600-T602 PolarHBondContact O-N 2.93Å; T602-I740 WeakPolarHBondContact CA-O 3.27Å; T602-R741 HydrophobicContact CG2-CG 4.06Å
603	L	82	Confident	83.1	Confident	12 Å²	12	37.9 Å²	37.9	6%	0.063	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	144.7	-171.3	-166.5	62.3	0	0	0	110.5	V599 K607 L608 M611 I740	V599-L603 HydrophobicContact CB-CD2 4.13Å; V599-L603 HydrophobicContact CG1-CD2 4.22Å; L603-K607 HydrophobicContact CD1-CB 3.6Å; L603-K607 HydrophobicContact CD1-CD 3.8Å; L603-K607 HydrophobicContact CD1-CG 4.37Å; L603-K607 HydrophobicContact CG-CB 3.93Å; L603-L608 HydrophobicContact CD2-CB 3.89Å; L603-L608 HydrophobicContact CD2-CD1 4.21Å; L603-M611 HydrophobicContact CD1-SD 4.48Å; L603-M611 HydrophobicContact CD2-SD 3.86Å; L603-I740 PolarHBondContact N-O 3.41Å; L603-I740 WeakPolarHBondContact O-CB 3.41Å; L603-I740 PolarHBondContact O-N 3.06Å
604	S	81.6	Confident	83.1	Confident	31 Å²	31	40 Å²	40	22%	0.217	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	147.5	173	59.7	0	0	0	0	111.2	D606 K607 L608 K738	S604-D606 VanDerWaalsContact C-N 3.29Å; S604-D606 PolarHBondContact O-N 3.28Å; S604-K607 WeakPolarHBondContact O-CA 3.34Å; S604-K607 WeakPolarHBondContact O-CB 3.39Å; S604-K607 PolarHBondContact O-N 2.86Å; S604-K607 WeakPolarHBondContact OG-CD 3.33Å; S604-K607 VanDerWaalsContact OG-CG 3.29Å; S604-K607 WeakPolarHBondContact OG-CG 3.4Å; S604-L608 PolarHBondContact O-N 2.98Å; S604-K738 WeakPolarHBondContact CA-O 3.38Å; S604-K738 VanDerWaalsContact CB-O 3.23Å; S604-K738 WeakPolarHBondContact CB-O 3.44Å
605	E	77.6	Confident	82.9	Confident	50 Å²	50	42.8 Å²	42.8	23%	0.234	23%	0.225	C	C	.	.	H	α-helix	trans	-52.2	-45.5	-178.1	-169.5	-157.6	135.4	0	0	112.6	K607 L608 Y609 R716 F720 I740	E605-K607 VanDerWaalsContact C-N 3.28Å; E605-K607 PolarHBondContact O-N 3.36Å; E605-L608 PolarHBondContact O-N 2.97Å; E605-Y609 PolarHBondContact O-N 2.79Å; E605-R716 IonicContact OE1-CZ 3.91Å; E605-R716 IonicContact OE1-NH1 2.64Å; E605-R716 PolarHBondContact OE1-NH1 2.91Å; E605-R716 IonicContact OE1-NH2 3.43Å; E605-R716 PolarHBondContact OE1-NH2 3.23Å; E605-F720 HydrophobicContact CG-CE2 4.46Å; E605-F720 HydrophobicContact CG-CZ 3.76Å; E605-I740 HydrophobicContact CB-CD1 4.41Å
606	D	78.9	Confident	82.7	Confident	67 Å²	67	42 Å²	42	36%	0.358	22%	0.221	S	C	.	.	H	α-helix	trans	-64.8	-28.7	177	-62.3	-52.4	0	0	0	113	S604 N610 R716	S604-D606 VanDerWaalsContact C-N 3.29Å; S604-D606 PolarHBondContact O-N 3.28Å; D606-N610 PolarHBondContact O-N 2.89Å; D606-N610 VanDerWaalsContact O-N 3.17Å; D606-N610 PolarHBondContact O-ND2 2.9Å; D606-R716 IonicContact OD1-CZ 2.69Å; D606-R716 IonicContact OD1-NH2 2.7Å; D606-R716 PolarHBondContact OD1-NH2 2.77Å
607	K	83.3	Confident	82.4	Confident	129 Å²	129	44.1 Å²	44.1	56%	0.561	24%	0.236	S	C	*	.	H	α-helix	trans	-74.1	-42.6	173.7	-75.9	178.7	179.6	-175.7	0	110.7	L603 S604 E605 Y609 N610 M611	L603-K607 HydrophobicContact CD1-CB 3.6Å; L603-K607 HydrophobicContact CD1-CD 3.8Å; L603-K607 HydrophobicContact CD1-CG 4.37Å; L603-K607 HydrophobicContact CG-CB 3.93Å; S604-K607 WeakPolarHBondContact O-CA 3.34Å; S604-K607 WeakPolarHBondContact O-CB 3.39Å; S604-K607 PolarHBondContact O-N 2.86Å; S604-K607 WeakPolarHBondContact OG-CD 3.33Å; S604-K607 VanDerWaalsContact OG-CG 3.29Å; S604-K607 WeakPolarHBondContact OG-CG 3.4Å; E605-K607 VanDerWaalsContact C-N 3.28Å; E605-K607 PolarHBondContact O-N 3.36Å; K607-Y609 VanDerWaalsContact C-N 3.34Å; K607-Y609 PolarHBondContact O-N 3.02Å; K607-N610 PolarHBondContact O-N 2.98Å; K607-M611 WeakPolarHBondContact O-CG 3.45Å; K607-M611 PolarHBondContact O-N 3.49Å
608	L	83.8	Confident	82.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.9	-46.5	174.3	-178.5	57.9	0	0	0	110.9	V599 L603 S604 E605 N610 M611 L612 F720 F722 I740	V599-L608 HydrophobicContact CG1-CD1 3.97Å; L603-L608 HydrophobicContact CD2-CB 3.89Å; L603-L608 HydrophobicContact CD2-CD1 4.21Å; S604-L608 PolarHBondContact O-N 2.98Å; E605-L608 PolarHBondContact O-N 2.97Å; L608-N610 PolarHBondContact O-N 2.9Å; L608-M611 PolarHBondContact O-N 3.38Å; L608-L612 HydrophobicContact CD1-CD1 4.11Å; L608-L612 HydrophobicContact CD1-CG 4.23Å; L608-L612 HydrophobicContact CG-CD1 3.9Å; L608-L612 HydrophobicContact CG-CG 4.49Å; L608-L612 VanDerWaalsContact O-CG 3.27Å; L608-L612 WeakPolarHBondContact O-CG 3.41Å; L608-L612 PolarHBondContact O-N 3.26Å; L608-F720 HydrophobicContact CB-CZ 4.38Å; L608-F720 HydrophobicContact CD2-CD2 4.46Å; L608-F720 HydrophobicContact CD2-CE2 3.76Å; L608-F720 HydrophobicContact CD2-CZ 3.91Å; L608-F720 HydrophobicContact CG-CE2 4.46Å; L608-F720 HydrophobicContact CG-CZ 4.16Å; L608-F722 HydrophobicContact CD2-CZ 4.36Å; L608-I740 HydrophobicContact CB-CD1 4.46Å; L608-I740 HydrophobicContact CD2-CD1 3.61Å
609	Y	84.9	Confident	81.8	Confident	16 Å²	16	46 Å²	46	6%	0.063	24%	0.239	C	C	.	.	H	α-helix	trans	-55.3	-48.9	175	-177.7	-95.8	0	0	0	112.5	E605 K607 M611 L612 L613 R716 L717 F718 F720	E605-Y609 PolarHBondContact O-N 2.79Å; K607-Y609 VanDerWaalsContact C-N 3.34Å; K607-Y609 PolarHBondContact O-N 3.02Å; Y609-M611 PolarHBondContact O-N 3.33Å; Y609-L612 PolarHBondContact O-N 3.35Å; Y609-L613 HydrophobicContact CE1-CB 4.44Å; Y609-L613 HydrophobicContact CE1-CD2 3.97Å; Y609-L613 WeakPolarHBondContact O-CB 3.18Å; Y609-L613 PolarHBondContact O-N 3.1Å; Y609-R716 HydrophobicContact CD1-CG 4.44Å; Y609-R716 HydrophobicContact CD2-CG 4.26Å; Y609-R716 HydrophobicContact CE1-CG 4.07Å; Y609-R716 HydrophobicContact CE2-CB 3.84Å; Y609-R716 HydrophobicContact CE2-CG 3.86Å; Y609-R716 WeakPolarHBondContact OH-CA 3.44Å; Y609-L717 PolarHBondContact OH-N 3.07Å; Y609-F718 HydrophobicContact CD2-CD2 4.4Å; Y609-F718 AromaticContact CD2-CE2 3.87Å; Y609-F718 HydrophobicContact CD2-CE2 3.87Å; Y609-F718 HydrophobicContact CD2-CZ 4.11Å; Y609-F718 HydrophobicContact CE2-CD1 4.28Å; Y609-F718 AromaticContact CE2-CD2 3.99Å; Y609-F718 HydrophobicContact CE2-CD2 3.99Å; Y609-F718 HydrophobicContact CE2-CE1 4.02Å; Y609-F718 AromaticContact CE2-CE2 3.7Å; Y609-F718 HydrophobicContact CE2-CE2 3.7Å; Y609-F718 HydrophobicContact CE2-CG 4.27Å; Y609-F718 AromaticContact CE2-CZ 3.72Å; Y609-F718 HydrophobicContact CE2-CZ 3.72Å; Y609-F720 HydrophobicContact CD2-CD1 4.46Å; Y609-F720 HydrophobicContact CD2-CE1 4.29Å
610	N	84.6	Confident	81.7	Confident	97 Å²	97	47 Å²	47	52%	0.519	25%	0.245	S	C	.	.	H	α-helix	trans	-66.5	-34.5	179.3	-77.4	-65.8	0	0	0	112.7	D606 K607 L608 S614	D606-N610 PolarHBondContact O-N 2.89Å; D606-N610 VanDerWaalsContact O-N 3.17Å; D606-N610 PolarHBondContact O-ND2 2.9Å; K607-N610 PolarHBondContact O-N 2.98Å; L608-N610 PolarHBondContact O-N 2.9Å; N610-S614 VanDerWaalsContact O-CB 3.25Å; N610-S614 WeakPolarHBondContact O-CB 3.5Å; N610-S614 PolarHBondContact O-N 3.28Å
611	M	84.9	Confident	81.4	Confident	65 Å²	65	51.9 Å²	51.9	32%	0.32	26%	0.258	S	S	.	.	H	α-helix	trans	-67.5	-38.7	174.3	-71.2	178	70.2	0	0	112.2	I597 A598 V599 L603 K607 L608 Y609 R615	I597-M611 HydrophobicContact CD1-CB 3.91Å; A598-M611 WeakPolarHBondContact O-CE 3.08Å; V599-M611 HydrophobicContact CG1-CE 3.92Å; V599-M611 HydrophobicContact CG1-SD 4.43Å; L603-M611 HydrophobicContact CD1-SD 4.48Å; L603-M611 HydrophobicContact CD2-SD 3.86Å; K607-M611 WeakPolarHBondContact O-CG 3.45Å; K607-M611 PolarHBondContact O-N 3.49Å; L608-M611 PolarHBondContact O-N 3.38Å; Y609-M611 PolarHBondContact O-N 3.33Å; M611-R615 PolarHBondContact O-N 2.7Å; M611-R615 VanDerWaalsContact O-N 3.08Å
612	L	86.6	Confident	80.7	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.4	-44.3	174.8	-66.8	163	0	0	0	111.8	V572 F595 I597 L608 Y609 S614 R615 L616 F718 F720 L755 L757	V572-L612 HydrophobicContact CG1-CD2 4.15Å; V572-L612 HydrophobicContact CG2-CD2 4.07Å; F595-L612 HydrophobicContact CE2-CD2 4.16Å; F595-L612 HydrophobicContact CZ-CD2 4.04Å; I597-L612 HydrophobicContact CD1-CD2 4.08Å; I597-L612 HydrophobicContact CD1-CG 4.46Å; I597-L612 HydrophobicContact CG2-CD2 4.34Å; L608-L612 HydrophobicContact CD1-CD1 4.11Å; L608-L612 HydrophobicContact CD1-CG 4.23Å; L608-L612 HydrophobicContact CG-CD1 3.9Å; L608-L612 HydrophobicContact CG-CG 4.49Å; L608-L612 VanDerWaalsContact O-CG 3.27Å; L608-L612 WeakPolarHBondContact O-CG 3.41Å; L608-L612 PolarHBondContact O-N 3.26Å; Y609-L612 PolarHBondContact O-N 3.35Å; L612-S614 VanDerWaalsContact C-N 3.31Å; L612-S614 PolarHBondContact O-N 3.33Å; L612-R615 WeakPolarHBondContact O-CB 3.45Å; L612-R615 PolarHBondContact O-N 3.06Å; L612-R615 VanDerWaalsContact O-N 3.1Å; L612-L616 PolarHBondContact O-N 3.26Å; L612-L616 VanDerWaalsContact O-N 3.12Å; L612-F718 HydrophobicContact CB-CE2 4.03Å; L612-F718 HydrophobicContact CB-CZ 3.88Å; L612-F718 HydrophobicContact CD1-CE2 4.33Å; L612-F720 HydrophobicContact CD1-CD1 3.89Å; L612-F720 HydrophobicContact CD1-CE1 4.25Å; L612-F720 HydrophobicContact CD1-CG 4.28Å; L612-L755 HydrophobicContact CD1-CD2 3.97Å; L612-L755 HydrophobicContact CD2-CD2 4Å; L612-L757 HydrophobicContact CD1-CD2 3.96Å; L612-L757 HydrophobicContact CD2-CD2 4.31Å
613	L	85.2	Confident	79.7	Confident	47 Å²	47	51.2 Å²	51.2	25%	0.246	27%	0.265	C	S	.	.	H	α-helix	trans	-63.6	-37.8	175.8	-177.7	62	0	0	0	111.4	Y609 R615 L616 C617 V620 L717 F718	Y609-L613 HydrophobicContact CE1-CB 4.44Å; Y609-L613 HydrophobicContact CE1-CD2 3.97Å; Y609-L613 WeakPolarHBondContact O-CB 3.18Å; Y609-L613 PolarHBondContact O-N 3.1Å; L613-R615 VanDerWaalsContact C-N 3.29Å; L613-R615 PolarHBondContact O-N 3.29Å; L613-L616 CarbonylContact O-C 3.48Å; L613-L616 PolarHBondContact O-N 2.89Å; L613-L616 VanDerWaalsContact O-N 3.14Å; L613-C617 PolarHBondContact O-N 3.07Å; L613-C617 VanDerWaalsContact O-N 3.09Å; L613-V620 HydrophobicContact CD1-CG1 4.16Å; L613-L717 HydrophobicContact CD1-CD1 4.14Å; L613-F718 HydrophobicContact CB-CE1 4.44Å; L613-F718 HydrophobicContact CB-CZ 4.36Å; L613-F718 HydrophobicContact CD1-CE1 4.17Å
614	S	83.9	Confident	78.1	Confident	71 Å²	71	55.9 Å²	55.9	50%	0.497	29%	0.294	S	S	.	.	H	α-helix	trans	-67.6	-25.5	173.3	-171.3	0	0	0	0	113.3	P488 N610 L612 C617	P488-S614 WeakPolarHBondContact CB-O 3.43Å; P488-S614 VanDerWaalsContact CG-O 3.29Å; P488-S614 WeakPolarHBondContact CG-O 3.41Å; N610-S614 VanDerWaalsContact O-CB 3.25Å; N610-S614 WeakPolarHBondContact O-CB 3.5Å; N610-S614 PolarHBondContact O-N 3.28Å; L612-S614 VanDerWaalsContact C-N 3.31Å; L612-S614 PolarHBondContact O-N 3.33Å; S614-C617 PolarHBondContact O-SG 3.14Å
615	R	82.8	Confident	76.3	Confident	59 Å²	59	62.6 Å²	62.6	22%	0.223	32%	0.322	C	S	.	.	H	α-helix	trans	-75.1	-26.3	170.5	-82.1	-79	162.1	-148.1	-12.4	112.9	L486 F595 I597 M611 L612 L613	L486-R615 VanDerWaalsContact O-CZ 3.22Å; L486-R615 PolarHBondContact O-NH1 3.04Å; L486-R615 PolarHBondContact O-NH2 2.88Å; F595-R615 HydrophobicContact CD2-CB 4.02Å; F595-R615 HydrophobicContact CD2-CG 4.11Å; F595-R615 HydrophobicContact CE2-CB 3.5Å; F595-R615 HydrophobicContact CE2-CG 3.79Å; F595-R615 HydrophobicContact CZ-CB 3.88Å; I597-R615 HydrophobicContact CD1-CG 3.88Å; I597-R615 HydrophobicContact CG1-CG 4.21Å; M611-R615 PolarHBondContact O-N 2.7Å; M611-R615 VanDerWaalsContact O-N 3.08Å; L612-R615 WeakPolarHBondContact O-CB 3.45Å; L612-R615 PolarHBondContact O-N 3.06Å; L612-R615 VanDerWaalsContact O-N 3.1Å; L613-R615 VanDerWaalsContact C-N 3.29Å; L613-R615 PolarHBondContact O-N 3.29Å
616	L	83.4	Confident	74.7	Confident	2 Å²	2	66.5 Å²	66.5	1%	0.01	34%	0.34	C	S	.	.	S	Bend	trans	-97.4	4.3	179.4	-66.7	179.3	0	0	0	114	L574 F595 L612 L613 R618 F619 V620 F718 L757 W759	L574-L616 HydrophobicContact CD1-CD2 4.48Å; L574-L616 HydrophobicContact CD2-CD1 4.23Å; L574-L616 HydrophobicContact CD2-CD2 4.18Å; F595-L616 HydrophobicContact CD1-CD2 4.33Å; F595-L616 HydrophobicContact CE1-CD2 3.73Å; F595-L616 HydrophobicContact CE1-CG 4.14Å; F595-L616 HydrophobicContact CZ-CD2 4.43Å; F595-L616 HydrophobicContact CZ-CG 4.38Å; L612-L616 PolarHBondContact O-N 3.26Å; L612-L616 VanDerWaalsContact O-N 3.12Å; L613-L616 CarbonylContact O-C 3.48Å; L613-L616 PolarHBondContact O-N 2.89Å; L613-L616 VanDerWaalsContact O-N 3.14Å; L616-R618 PolarHBondContact O-N 3.43Å; L616-F619 HydrophobicContact CD2-CD2 4.03Å; L616-F619 PolarHBondContact O-N 2.79Å; L616-V620 HydrophobicContact CB-CG2 3.87Å; L616-V620 WeakPolarHBondContact O-CB 3.39Å; L616-V620 WeakPolarHBondContact O-CG2 3.2Å; L616-V620 PolarHBondContact O-N 2.73Å; L616-V620 VanDerWaalsContact O-N 3.16Å; L616-F718 HydrophobicContact CD1-CE1 4.14Å; L616-F718 HydrophobicContact CD1-CZ 4.49Å; L616-L757 HydrophobicContact CD1-CD1 3.75Å; L616-W759 HydrophobicContact CD1-CZ2 4.01Å
617	C	81.1	Confident	72.7	Confident	56 Å²	56	70.5 Å²	70.5	38%	0.378	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.6	-170.2	65	0	0	0	0	114.6	L613 S614	L613-C617 PolarHBondContact O-N 3.07Å; L613-C617 VanDerWaalsContact O-N 3.09Å; S614-C617 PolarHBondContact O-SG 3.14Å
618	R	78.8	Confident	70.6	Confident	42 Å²	42	73.3 Å²	73.3	16%	0.158	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-34.5	173.5	167.5	-177.3	164.4	123.3	-0.5	113.2	P488 V489 L616 V772 D775	P488-R618 WeakPolarHBondContact O-CB 3.31Å; V489-R618 PolarHBondContact O-NH1 2.86Å; L616-R618 PolarHBondContact O-N 3.43Å; R618-V772 HydrophobicContact CG-CG1 3.67Å; R618-V772 PolarHBondContact NH2-O 2.78Å; R618-D775 PolarHBondContact NH2-O 3.28Å; R618-D775 IonicContact NH2-OD2 3.24Å; R618-D775 PolarHBondContact NH2-OD2 3.31Å
619	F	79.3	Confident	68.3	Low	27 Å²	27	82.6 Å²	82.6	12%	0.118	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-0.9	-175.9	-47.7	-69.8	0	0	0	112.5	L616 F768 D769 V772 V773	L616-F619 HydrophobicContact CD2-CD2 4.03Å; L616-F619 PolarHBondContact O-N 2.79Å; F619-F768 HydrophobicContact CB-CD2 4.17Å; F619-F768 HydrophobicContact CB-CE1 4.48Å; F619-F768 HydrophobicContact CB-CE2 3.6Å; F619-F768 HydrophobicContact CB-CZ 3.79Å; F619-F768 HydrophobicContact CG-CE2 4.39Å; F619-F768 HydrophobicContact CG-CZ 4.26Å; F619-F768 CarbonylContact O-C 3.54Å; F619-F768 VanDerWaalsContact O-CA 3.3Å; F619-F768 WeakPolarHBondContact O-CA 3.47Å; F619-D769 PolarHBondContact O-N 2.81Å; F619-V772 HydrophobicContact CD1-CB 4.43Å; F619-V772 HydrophobicContact CD1-CG1 4.22Å; F619-V772 HydrophobicContact CE1-CG1 4.37Å; F619-V773 HydrophobicContact CD1-CG2 3.89Å; F619-V773 HydrophobicContact CE1-CG2 4.11Å
620	V	80.5	Confident	65.8	Low	23 Å²	23	89.9 Å²	89.9	14%	0.139	46%	0.46	C	S	.	.	B	Isolated β-bridge	trans	-124.7	112.1	-169.4	177.3	0	0	0	0	111.6	L613 L616 L717 W759 Y767 F768	L613-V620 HydrophobicContact CD1-CG1 4.16Å; L616-V620 HydrophobicContact CB-CG2 3.87Å; L616-V620 WeakPolarHBondContact O-CB 3.39Å; L616-V620 WeakPolarHBondContact O-CG2 3.2Å; L616-V620 PolarHBondContact O-N 2.73Å; L616-V620 VanDerWaalsContact O-N 3.16Å; V620-L717 HydrophobicContact CG1-CD1 3.48Å; V620-L717 VanDerWaalsContact CG1-CD1 3.48Å; V620-W759 HydrophobicContact CG1-CH2 4.37Å; V620-W759 HydrophobicContact CG2-CH2 3.67Å; V620-W759 HydrophobicContact CG2-CZ2 4.06Å; V620-Y767 CarbonylContact C-O 3.55Å; V620-Y767 VanDerWaalsContact CA-O 3.28Å; V620-Y767 WeakPolarHBondContact CA-O 3.26Å; V620-F768 HydrophobicContact CG2-CD2 4.27Å
621	R	74.3	Confident	63.4	Low	147 Å²	147	89.9 Å²	89.9	56%	0.555	47%	0.468	S	S	*	.			trans	-70.5	148.3	178.2	-59.2	-179.3	178.7	-173.6	-1	111.5	Y767 D769	R621-Y767 PolarHBondContact N-O 2.92Å; R621-D769 IonicContact CZ-OD2 3.66Å; R621-D769 VanDerWaalsContact CZ-OD2 3.3Å; R621-D769 IonicContact NE-OD2 3.73Å; R621-D769 PolarHBondContact NE-OD2 3.33Å; R621-D769 VanDerWaalsContact NE-OD2 3.11Å; R621-D769 IonicContact NH2-OD2 2.73Å; R621-D769 PolarHBondContact NH2-OD2 3.29Å
622	S	62.2	Low	60.8	Low	69 Å²	69	96.3 Å²	96.3	48%	0.483	50%	0.497	S	S	.	.			trans	-76.1	129.6	-174.4	-172.9	0	0	0	0	112.3	V624	S622-V624 PolarHBondContact O-N 2.93Å; S622-V624 WeakPolarHBondContact OG-CG2 3.22Å
623	P	53.9	Low	58.2	Low	65 Å²	65	104.9 Å²	104.9	42%	0.422	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	21.4	177.1	-19.6	33.6	0	0	0	116.3	L717 Y767	P623-L717 HydrophobicContact CG-CD2 4.39Å; P623-Y767 HydrophobicContact CB-CE1 3.93Å; P623-Y767 HydrophobicContact CG-CD1 4.26Å; P623-Y767 HydrophobicContact CG-CE1 3.96Å
624	V	48.6	Very low	55.5	Low	111 Å²	111	108.6 Å²	108.6	67%	0.673	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	-7	-164.5	-176.6	0	0	0	0	113.2	S622	S622-V624 PolarHBondContact O-N 2.93Å; S622-V624 WeakPolarHBondContact OG-CG2 3.22Å
625	E	44.8	Very low	52.8	Low	172 Å²	172	113.6 Å²	113.6	80%	0.804	58%	0.578	S	S	*	*	S	Bend	trans	-106.9	8.6	-164.7	-62	-179	169.2	0	0	114.9
626	E	42	Very low	50.3	Low	131 Å²	131	116 Å²	116	61%	0.612	60%	0.601	S	S	*	*	S	Bend	trans	-129	-2.9	-176.3	-70.4	-178.3	-140.8	0	0	115.6	E628 K766	E626-E628 VanDerWaalsContact C-N 3.3Å; E626-E628 PolarHBondContact O-N 2.96Å; E626-K766 VanDerWaalsContact CD-NZ 3.34Å; E626-K766 VanDerWaalsContact OE1-CE 3.29Å; E626-K766 WeakPolarHBondContact OE1-CE 3.5Å; E626-K766 IonicContact OE1-NZ 3.99Å; E626-K766 WeakPolarHBondContact OE2-CE 3.21Å; E626-K766 IonicContact OE2-NZ 2.66Å; E626-K766 PolarHBondContact OE2-NZ 2.89Å
627	D	37.4	Very low	48	Very low	152 Å²	152	121.3 Å²	121.3	81%	0.813	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	8	-172.8	-85.1	-7.5	0	0	0	114.7
628	E	38.9	Very low	45.6	Very low	188 Å²	188	124.8 Å²	124.8	88%	0.879	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	-14.3	-174	-69.1	-159.2	154.5	0	0	117	E626	E626-E628 VanDerWaalsContact C-N 3.3Å; E626-E628 PolarHBondContact O-N 2.96Å
629	E	35.7	Very low	43.1	Very low	194 Å²	194	131.2 Å²	131.2	91%	0.907	69%	0.687	S	S	*	*	S	Bend	trans	-95.5	-18.1	-173.9	-67.4	-159.1	145.3	0	0	115.9	S631	E629-S631 PolarHBondContact O-N 2.77Å
630	D	33.3	Very low	40.6	Very low	169 Å²	169	137.5 Å²	137.5	90%	0.904	72%	0.716	S	S	*	*			trans	-90	55.2	-166.2	-141.3	-1.3	0	0	0	113.8
631	S	32.9	Very low	37.9	Very low	98 Å²	98	141.7 Å²	141.7	69%	0.685	74%	0.742	S	S	*	*			trans	-155.7	69.1	175.2	58.6	0	0	0	0	118	E629	E629-S631 PolarHBondContact O-N 2.77Å
632	E	32.1	Very low	35.7	Very low	199 Å²	199	141.4 Å²	141.4	93%	0.93	75%	0.75	S	S	*	*			trans	-154.8	169.5	146.9	-122.3	169.7	-145.4	0	0	115
633	E	30.8	Very low	34.1	Very low	181 Å²	181	146 Å²	146	85%	0.846	77%	0.769	S	S	*	*			trans	-71.2	137.8	-144.9	-57.2	-174.1	126.9	0	0	121
634	T	29.8	Very low	32.8	Very low	125 Å²	125	146.3 Å²	146.3	77%	0.767	78%	0.784	S	S	*	*			trans	8.6	144.5	133	-15.2	0	0	0	0	123
635	Q	27	Very low	31.7	Very low	176 Å²	176	148.9 Å²	148.9	82%	0.822	79%	0.794	S	S	*	*			trans	97.7	171.4	158.2	-45.5	-154.6	9.4	0	0	117
636	P	29.7	Very low	30.9	Very low	110 Å²	110	145 Å²	145	71%	0.714	79%	0.792	S	S	*	*				-128.7	-172.8	-103	38.6	-15.5	0	0	0	113.2
637	P	36	Very low	30.3	Very low	112 Å²	112	144.3 Å²	144.3	73%	0.727	80%	0.797	S	S	*	*			trans	-89.5	149.3	-149.7	34.5	-36.8	0	0	0	117.6
638	T	29.8	Very low	29.9	Very low	130 Å²	130	144.9 Å²	144.9	80%	0.798	80%	0.8	S	S	*	*			trans	59.7	123.7	150.1	55.2	0	0	0	0	120.4
639	Q	26.6	Very low	29.3	Very low	176 Å²	176	139.4 Å²	139.4	82%	0.822	79%	0.794	S	S	*	*				-172.3	137.2	119.7	-103.8	-179.9	24	0	0	115.6
640	H	26.3	Very low	28.8	Very low	160 Å²	160	137.8 Å²	137.8	74%	0.741	79%	0.791	S	S	*	*			trans	63.2	130.4	144.8	-85.3	-69.3	0	0	0	126
641	T	24.4	Very low	28.5	Very low	110 Å²	110	137.4 Å²	137.4	68%	0.675	79%	0.788	S	S	*	*			trans	81.9	99.3	139.3	41.1	0	0	0	0	124.6
642	I	27.3	Very low	28.3	Very low	142 Å²	142	142.1 Å²	142.1	73%	0.728	80%	0.799	S	S	*	*				67.2	127.8	110.8	-68	178.6	0	0	0	122
643	N	28.1	Very low	28.1	Very low	165 Å²	165	142 Å²	142	88%	0.882	80%	0.799	S	S	*	*			trans	73.2	135.9	155.9	-75.1	-8.5	0	0	0	122.2
644	G	27	Very low	27.8	Very low	72 Å²	72	136.8 Å²	136.8	74%	0.742	79%	0.793	S	S	*	*			trans	162.5	34	140.5	0	0	0	0	0	125.5
645	N	26.9	Very low	28.2	Very low	164 Å²	164	136.6 Å²	136.6	88%	0.877	80%	0.797	S	S	*	*			trans	52.5	138.4	156.9	-75.8	-0.5	0	0	0	123.9
646	A	26.6	Very low	28.6	Very low	92 Å²	92	133.6 Å²	133.6	76%	0.76	79%	0.793	S	S	*	*			trans	70.7	142.2	144.2	0	0	0	0	0	119.5
647	T	29.2	Very low	28.4	Very low	116 Å²	116	132.8 Å²	132.8	71%	0.712	79%	0.789	S	S	*	*			cis	-160.2	148.3	3.9	12	0	0	0	0	111
648	N	29.1	Very low	28	Very low	163 Å²	163	135 Å²	135	87%	0.872	79%	0.79	S	S	*	*			trans	51.1	136.7	156.5	-54.1	-3.5	0	0	0	118.9
649	G	27.6	Very low	27.8	Very low	74 Å²	74	136 Å²	136	76%	0.763	79%	0.787	S	S	*	*			cis	-179.3	167.1	0.5	0	0	0	0	0	106.4
650	L	24.7	Very low	27.8	Very low	160 Å²	160	135.2 Å²	135.2	84%	0.838	78%	0.784	S	S	*	*			cis	-171	164.3	42.1	-110	163.4	0	0	0	109
651	L	26.9	Very low	27.9	Very low	160 Å²	160	132.6 Å²	132.6	84%	0.838	78%	0.779	S	S	*	*			trans	60.3	110.1	163	-62.3	165.4	0	0	0	118.4
652	E	29.2	Very low	28.1	Very low	197 Å²	197	134.7 Å²	134.7	92%	0.921	79%	0.786	S	S	*	*				-157.9	176.8	102.7	-133.4	170.8	-162.3	0	0	110.6
653	E	27	Very low	28.2	Very low	198 Å²	198	135.5 Å²	135.5	93%	0.925	79%	0.787	S	S	*	*			trans	-86	156.7	-170.8	-62.9	-166.2	144.7	0	0	114.2
654	G	24.6	Very low	28.3	Very low	71 Å²	71	134.9 Å²	134.9	73%	0.732	78%	0.779	S	S	*	*			trans	-148.4	131.7	168.1	0	0	0	0	0	110.3
655	S	37.6	Very low	28.4	Very low	121 Å²	121	138 Å²	138	85%	0.846	78%	0.778	S	S	*	*			trans	-61	165.3	-179.2	-42	0	0	0	0	112.7
656	P	35.2	Very low	28.5	Very low	113 Å²	113	137.3 Å²	137.3	73%	0.734	78%	0.775	S	S	*	*				-146.4	161.6	102.2	39.8	-26.6	0	0	0	116.3
657	S	26.3	Very low	28.8	Very low	92 Å²	92	140 Å²	140	64%	0.643	77%	0.772	S	S	*	*			trans	65.9	162.4	143.9	81.1	0	0	0	0	119.6
658	E	27.6	Very low	29	Very low	160 Å²	160	138.2 Å²	138.2	75%	0.748	76%	0.764	S	S	*	*			cis	-147	172	12.3	-143.9	135	-92.9	0	0	113.4
659	M	25.1	Very low	29	Very low	149 Å²	149	136.3 Å²	136.3	73%	0.734	76%	0.763	S	S	*	*			trans	-27.9	167.3	158.4	-68.5	139.9	162.7	0	0	117.1
660	E	27.7	Very low	29.1	Very low	161 Å²	161	139.1 Å²	139.1	75%	0.752	76%	0.756	S	S	*	*			cis	-166.9	178.9	2.3	-118.2	160.6	-147.4	0	0	107.1
661	T	28.4	Very low	29.2	Very low	104 Å²	104	139.8 Å²	139.8	64%	0.638	76%	0.761	S	S	*	*			cis	-136.6	169.1	5.4	43.7	0	0	0	0	110.3
662	D	27.6	Very low	29.3	Very low	154 Å²	154	139 Å²	139	82%	0.824	75%	0.753	S	S	*	*				175.8	159.7	114.5	-90.6	5.7	0	0	0	113.1
663	E	29.5	Very low	29.2	Very low	160 Å²	160	139.1 Å²	139.1	75%	0.748	75%	0.753	S	S	*	*			trans	-116.1	153	-166	-56	-177.1	106.9	0	0	113.4
664	Q	31.2	Very low	29.2	Very low	151 Å²	151	136.8 Å²	136.8	71%	0.706	75%	0.747	S	S	*	*			trans	51.5	150.4	139.2	-69.5	162.5	46.3	0	0	121.4
665	D	28.3	Very low	29.6	Very low	137 Å²	137	139.2 Å²	139.2	73%	0.733	75%	0.749	S	S	*	*			cis	-174.6	173.6	-32	-106.9	-27.4	0	0	0	107
666	D	28.2	Very low	29.1	Very low	150 Å²	150	138.8 Å²	138.8	80%	0.802	75%	0.746	S	S	*	*			trans	63.1	157.4	166.9	-67.9	-9.9	0	0	0	117.7
667	E	34.7	Very low	28.7	Very low	150 Å²	150	142.6 Å²	142.6	70%	0.701	75%	0.754	S	S	*	*			cis	-177.7	162.2	-29.4	-102.1	-110.9	131.1	0	0	104.1
668	S	32.1	Very low	28.7	Very low	77 Å²	77	145.6 Å²	145.6	54%	0.538	76%	0.763	S	S	.	*			cis	-169.5	169.1	-24.3	55.8	0	0	0	0	108.7
669	S	30	Very low	28.6	Very low	123 Å²	123	145.9 Å²	145.9	86%	0.86	77%	0.765	S	S	*	*			trans	-154.4	111.3	153.8	59.9	0	0	0	0	109
670	Q	29.3	Very low	28.6	Very low	133 Å²	133	144.4 Å²	144.4	62%	0.621	76%	0.76	S	S	*	*			trans	-87.6	150.8	179.7	-57.8	173	10.3	0	0	110.5
671	D	26.9	Very low	28.6	Very low	175 Å²	175	142.3 Å²	142.3	94%	0.936	76%	0.762	S	S	*	*			trans	-139	142.2	146.7	-105.8	-42.1	0	0	0	108.6
672	Q	28.4	Very low	28.4	Very low	144 Å²	144	145.3 Å²	145.3	67%	0.673	77%	0.769	S	S	*	*			trans	-118.4	121.1	-171.9	-63.9	179.2	4.5	0	0	110.6
673	E	27.1	Very low	28.4	Very low	198 Å²	198	144 Å²	144	93%	0.925	77%	0.773	S	S	*	*			trans	-88.6	120.7	162.1	-68.8	-164.9	146.9	0	0	109.9
674	L	27.1	Very low	28.3	Very low	150 Å²	150	144.7 Å²	144.7	79%	0.785	78%	0.775	S	S	*	*			trans	-110.8	139.4	167.5	-82.4	173.3	0	0	0	110.1
675	P	34.3	Very low	28	Very low	121 Å²	121	145 Å²	145	79%	0.786	78%	0.782	S	S	*	*			trans	-84.6	150.8	-177.3	34.7	-35.7	0	0	0	112.5
676	S	25.6	Very low	27.9	Very low	112 Å²	112	142.9 Å²	142.9	78%	0.783	78%	0.778	S	S	*	*			trans	-159.8	158.2	167.6	60.2	0	0	0	0	111.6
677	E	26.5	Very low	27.8	Very low	193 Å²	193	142.6 Å²	142.6	90%	0.902	78%	0.781	S	S	*	*			cis	-150.6	161.6	-36.3	-100.6	-160.5	140	0	0	106
678	N	26.2	Very low	27.4	Very low	155 Å²	155	139.2 Å²	139.2	83%	0.829	79%	0.786	S	S	*	*			trans	-141.7	98	-173.2	175.9	52.5	0	0	0	113
679	E	27.3	Very low	27.1	Very low	167 Å²	167	139.2 Å²	139.2	78%	0.78	80%	0.799	S	S	*	*			trans	-139.6	97.5	169.1	-88.3	-84.5	169.8	0	0	110.8
680	N	23.9	Very low	26.9	Very low	118 Å²	118	140.6 Å²	140.6	63%	0.631	80%	0.796	S	S	*	*				53.9	117.8	112.4	-171	21.6	0	0	0	120.3
681	S	27.2	Very low	26.9	Very low	116 Å²	116	141.6 Å²	141.6	81%	0.811	81%	0.806	S	S	*	*			trans	-160	102.1	149	-84.1	0	0	0	0	114.1
682	Q	24.8	Very low	26.9	Very low	168 Å²	168	141.1 Å²	141.1	79%	0.785	80%	0.798	S	S	*	*			trans	21.9	135.3	138	-59.2	-177.1	-42.1	0	0	122.2
683	S	28.1	Very low	26.8	Very low	127 Å²	127	140.8 Å²	140.8	89%	0.888	80%	0.8	S	S	*	*			trans	-145.1	149.7	130.6	59	0	0	0	0	110.4
684	E	26.7	Very low	26.8	Very low	173 Å²	173	138.4 Å²	138.4	81%	0.808	79%	0.789	S	S	*	*			trans	-118.9	142	-177.5	-61.7	-173	136.6	0	0	111.4
685	D	26	Very low	26.7	Very low	158 Å²	158	138 Å²	138	85%	0.845	79%	0.788	S	S	*	*			trans	177.1	150.9	149.6	-104.4	-23.2	0	0	0	110.1
686	S	25.6	Very low	26.3	Very low	92 Å²	92	135.6 Å²	135.6	64%	0.643	79%	0.785	S	S	*	*			cis	-165.5	133.6	-31.2	-115.9	0	0	0	0	110.7
687	V	26.2	Very low	26.3	Very low	145 Å²	145	136.6 Å²	136.6	88%	0.879	79%	0.786	S	S	*	*			trans	50.3	118	153.8	-169	0	0	0	0	120.9
688	G	25.7	Very low	26.2	Very low	78 Å²	78	133.6 Å²	133.6	80%	0.804	78%	0.781	S	S	*	*				116.9	127.8	124.7	0	0	0	0	0	118.6
689	G	26.3	Very low	26.1	Very low	77 Å²	77	130.5 Å²	130.5	79%	0.794	78%	0.777	S	S	*	*			trans	162.4	50.6	172.1	0	0	0	0	0	117.1
690	D	25.6	Very low	26.5	Very low	152 Å²	152	128.5 Å²	128.5	81%	0.813	78%	0.778	S	S	*	*			trans	-65.7	147.5	174.2	-57.2	-73.8	0	0	0	113
691	N	29.1	Very low	26.7	Very low	155 Å²	155	131.8 Å²	131.8	83%	0.829	79%	0.79	S	S	*	*			trans	-176.2	90.3	138.9	-93.8	-48.4	0	0	0	112.4
692	E	26.8	Very low	26.6	Very low	164 Å²	164	134.8 Å²	134.8	77%	0.766	80%	0.796	S	S	*	*				38.6	140	119.3	-90	-169.7	177.8	0	0	123.8
693	L	27.4	Very low	26.5	Very low	137 Å²	137	131.9 Å²	131.9	72%	0.717	79%	0.794	S	S	*	*			trans	74.4	143.1	147.1	-62	166.1	0	0	0	118.8
694	E	26.6	Very low	26.4	Very low	148 Å²	148	132.9 Å²	132.9	69%	0.692	80%	0.795	S	S	*	*			cis	-158.4	161.8	-12.2	-144.2	-169	129.6	0	0	113.2
695	N	25.5	Very low	26.4	Very low	141 Å²	141	134.7 Å²	134.7	75%	0.754	80%	0.8	S	S	*	*			trans	10.4	147.2	151.4	-77	-39.7	0	0	0	123.7
696	G	25.2	Very low	26.4	Very low	71 Å²	71	131 Å²	131	73%	0.732	80%	0.8	S	S	*	*			trans	177.9	39.5	155.1	0	0	0	0	0	125.8
697	V	25.1	Very low	26.6	Very low	134 Å²	134	135.1 Å²	135.1	81%	0.812	81%	0.809	S	S	*	*			trans	45.9	104.8	143.9	-171.8	0	0	0	0	122.6
698	V	24.2	Very low	26.6	Very low	130 Å²	130	136.8 Å²	136.8	79%	0.788	81%	0.807	S	S	*	*				47.4	107.5	125.2	-173.5	0	0	0	0	122.9
699	A	25.3	Very low	26.5	Very low	89 Å²	89	139.4 Å²	139.4	74%	0.736	81%	0.807	S	S	*	*			trans	62.1	168.1	131.6	0	0	0	0	0	121.3
700	P	36.3	Very low	27	Very low	126 Å²	126	141.1 Å²	141.1	82%	0.818	81%	0.814	S	S	*	*			cis	-130.8	-169.1	5.3	44.3	-26.8	0	0	0	117
701	Q	27.6	Very low	27.1	Very low	186 Å²	186	136.9 Å²	136.9	87%	0.869	81%	0.806	S	S	*	*			trans	-56.7	155.5	-171.4	-58.2	173.5	-16.9	0	0	117.5
702	L	24.7	Very low	27.3	Very low	180 Å²	180	137.8 Å²	137.8	94%	0.942	81%	0.81	S	S	*	*			trans	-147.4	151.4	136.7	-131	132	0	0	0	110.6
703	S	23.1	Very low	27.7	Very low	106 Å²	106	137.8 Å²	137.8	74%	0.741	82%	0.815	S	S	*	*			trans	-112.6	148	-169	64.7	0	0	0	0	114.1
704	T	25.3	Very low	28.9	Very low	148 Å²	148	142 Å²	142	91%	0.908	82%	0.822	S	S	*	*			trans	-143	129.6	158.7	22.3	0	0	0	0	109.6
705	K	27.4	Very low	30.7	Very low	212 Å²	212	142.6 Å²	142.6	92%	0.922	82%	0.822	S	S	*	*			trans	-84.9	122.3	173.7	-73.6	-176.8	174.4	-177.3	0	109.9
706	G	25.4	Very low	33.4	Very low	81 Å²	81	139.8 Å²	139.8	84%	0.835	80%	0.801	S	S	*	*			trans	-107.2	122.5	159.4	0	0	0	0	0	109
707	Q	29.2	Very low	36.2	Very low	178 Å²	178	137.1 Å²	137.1	83%	0.832	77%	0.77	S	S	*	*			trans	-118.4	114.3	-174.1	-174.8	178.2	3.5	0	0	109.8
708	Q	26.1	Very low	39.1	Very low	179 Å²	179	131 Å²	131	84%	0.836	73%	0.732	S	S	*	*			trans	-158.3	131.5	168.1	-130	144.3	104.4	0	0	113.9
709	T	25.2	Very low	41.9	Very low	133 Å²	133	127.8 Å²	127.8	82%	0.816	71%	0.713	S	S	*	*			trans	44.8	105.5	155.6	52.7	0	0	0	0	119.2
710	A	35.2	Very low	44.7	Very low	113 Å²	113	125 Å²	125	93%	0.934	68%	0.684	S	S	*	*			trans	-67.4	140.1	152.9	0	0	0	0	0	110.7
711	G	27.7	Very low	46.6	Very low	63 Å²	63	122.2 Å²	122.2	65%	0.649	66%	0.66	S	S	*	*			trans	-127.4	140.4	163.2	0	0	0	0	0	108.7	N713	G711-N713 PolarHBondContact O-N 2.67Å
712	L	34.8	Very low	48.7	Very low	174 Å²	174	115.6 Å²	115.6	91%	0.911	63%	0.629	S	S	*	*			trans	-72.3	92.7	-178.8	-73.8	99.1	0	0	0	111.1	R714	L712-R714 VanDerWaalsContact C-N 3.27Å; L712-R714 PolarHBondContact O-N 3.42Å
713	N	34.3	Very low	50.5	Low	164 Å²	164	109.2 Å²	109.2	88%	0.877	60%	0.596	S	S	*	*			trans	-68.4	87.3	161.4	-83.4	-10.8	0	0	0	109.1	G711 K715	G711-N713 PolarHBondContact O-N 2.67Å; N713-K715 PolarHBondContact O-N 2.88Å; N713-K715 VanDerWaalsContact O-N 3.14Å
714	R	51.8	Low	51.9	Low	226 Å²	226	107.1 Å²	107.1	85%	0.853	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-55.1	118.1	162.9	-77.7	-176.2	168.4	-173.9	-5.7	108.1	L712 R716	L712-R714 VanDerWaalsContact C-N 3.27Å; L712-R714 PolarHBondContact O-N 3.42Å; R714-R716 PolarHBondContact O-N 3.39Å
715	K	66.3	Low	52.4	Low	160 Å²	160	108.1 Å²	108.1	70%	0.696	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-59.2	120.6	179.6	-168	-179.1	-179.6	-172.1	0	108.7	N713	N713-K715 PolarHBondContact O-N 2.88Å; N713-K715 VanDerWaalsContact O-N 3.14Å
716	R	81.2	Confident	53	Low	83 Å²	83	102.2 Å²	102.2	31%	0.313	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-67.4	140.9	173.6	-69	-172.8	-177.8	169.5	1	109	E605 D606 Y609 R714	E605-R716 IonicContact OE1-CZ 3.91Å; E605-R716 IonicContact OE1-NH1 2.64Å; E605-R716 PolarHBondContact OE1-NH1 2.91Å; E605-R716 IonicContact OE1-NH2 3.43Å; E605-R716 PolarHBondContact OE1-NH2 3.23Å; D606-R716 IonicContact OD1-CZ 2.69Å; D606-R716 IonicContact OD1-NH2 2.7Å; D606-R716 PolarHBondContact OD1-NH2 2.77Å; Y609-R716 HydrophobicContact CD1-CG 4.44Å; Y609-R716 HydrophobicContact CD2-CG 4.26Å; Y609-R716 HydrophobicContact CE1-CG 4.07Å; Y609-R716 HydrophobicContact CE2-CB 3.84Å; Y609-R716 HydrophobicContact CE2-CG 3.86Å; Y609-R716 WeakPolarHBondContact OH-CA 3.44Å; R714-R716 PolarHBondContact O-N 3.39Å
717	L	83.6	Confident	53.6	Low	15 Å²	15	106.1 Å²	106.1	8%	0.079	57%	0.566	C	S	.	*	S	Bend	trans	-84.4	-26.5	-177	-59.2	177.1	0	0	0	112.1	Y609 L613 V620 P623 W759 I763 Y767	Y609-L717 PolarHBondContact OH-N 3.07Å; L613-L717 HydrophobicContact CD1-CD1 4.14Å; V620-L717 HydrophobicContact CG1-CD1 3.48Å; V620-L717 VanDerWaalsContact CG1-CD1 3.48Å; P623-L717 HydrophobicContact CG-CD2 4.39Å; L717-W759 HydrophobicContact CB-CH2 3.94Å; L717-W759 HydrophobicContact CB-CZ3 3.89Å; L717-W759 HydrophobicContact CD1-CH2 4.4Å; L717-I763 HydrophobicContact CB-CG2 4.16Å; L717-I763 HydrophobicContact CD2-CG2 3.98Å; L717-I763 WeakPolarHBondContact O-CG2 3.39Å; L717-Y767 HydrophobicContact CD2-CD2 3.98Å; L717-Y767 HydrophobicContact CD2-CE2 4.32Å; L717-Y767 HydrophobicContact CD2-CG 4.26Å
718	F	86.1	Confident	54	Low	4 Å²	4	101.7 Å²	101.7	2%	0.018	55%	0.551	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-141.2	155.3	176.1	54.5	-90.3	0	0	0	110.9	Y609 L612 L613 L616 L757 D758 W759	Y609-F718 HydrophobicContact CD2-CD2 4.4Å; Y609-F718 AromaticContact CD2-CE2 3.87Å; Y609-F718 HydrophobicContact CD2-CE2 3.87Å; Y609-F718 HydrophobicContact CD2-CZ 4.11Å; Y609-F718 HydrophobicContact CE2-CD1 4.28Å; Y609-F718 AromaticContact CE2-CD2 3.99Å; Y609-F718 HydrophobicContact CE2-CD2 3.99Å; Y609-F718 HydrophobicContact CE2-CE1 4.02Å; Y609-F718 AromaticContact CE2-CE2 3.7Å; Y609-F718 HydrophobicContact CE2-CE2 3.7Å; Y609-F718 HydrophobicContact CE2-CG 4.27Å; Y609-F718 AromaticContact CE2-CZ 3.72Å; Y609-F718 HydrophobicContact CE2-CZ 3.72Å; L612-F718 HydrophobicContact CB-CE2 4.03Å; L612-F718 HydrophobicContact CB-CZ 3.88Å; L612-F718 HydrophobicContact CD1-CE2 4.33Å; L613-F718 HydrophobicContact CB-CE1 4.44Å; L613-F718 HydrophobicContact CB-CZ 4.36Å; L613-F718 HydrophobicContact CD1-CE1 4.17Å; L616-F718 HydrophobicContact CD1-CE1 4.14Å; L616-F718 HydrophobicContact CD1-CZ 4.49Å; F718-L757 HydrophobicContact CD2-CB 4.17Å; F718-L757 HydrophobicContact CD2-CD1 4.39Å; F718-L757 HydrophobicContact CD2-CD2 4.03Å; F718-L757 HydrophobicContact CD2-CG 4.42Å; F718-L757 HydrophobicContact CE2-CD1 4.17Å; F718-L757 HydrophobicContact CE2-CD2 3.95Å; F718-L757 HydrophobicContact CZ-CD1 4.5Å; F718-D758 CarbonylContact C-O 3.58Å; F718-D758 WeakPolarHBondContact CA-O 3.46Å; F718-D758 VanDerWaalsContact CB-O 3.24Å; F718-D758 WeakPolarHBondContact CB-O 3.45Å; F718-W759 HydrophobicContact CB-CD2 4.08Å; F718-W759 HydrophobicContact CB-CG 4.09Å; F718-W759 HydrophobicContact CB-CZ2 4.46Å; F718-W759 AromaticContact CD1-CE2 3.71Å; F718-W759 HydrophobicContact CD1-CH2 4.1Å; F718-W759 AromaticContact CD1-CZ2 3.45Å; F718-W759 HydrophobicContact CD1-CZ2 3.45Å; F718-W759 VanDerWaalsContact CD1-CZ2 3.45Å; F718-W759 AromaticContact CD1-NE1 3.98Å; F718-W759 HydrophobicContact CE1-CZ2 4.07Å; F718-W759 HydrophobicContact CG-CZ2 4.3Å
719	T	84.1	Confident	54.5	Low	64 Å²	64	97.9 Å²	97.9	39%	0.393	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	167.1	160	50	0	0	0	0	109.8	D758	T719-D758 PolarHBondContact N-O 3.08Å; T719-D758 PolarHBondContact O-N 2.85Å; T719-D758 VanDerWaalsContact OG1-CB 3.28Å; T719-D758 WeakPolarHBondContact OG1-CB 3.38Å
720	F	82.6	Confident	55.3	Low	29 Å²	29	99.5 Å²	99.5	13%	0.127	53%	0.532	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	148.6	176.2	58.8	-105.2	0	0	0	112.4	E605 L608 Y609 L612 L755 S756 L757	E605-F720 HydrophobicContact CG-CE2 4.46Å; E605-F720 HydrophobicContact CG-CZ 3.76Å; L608-F720 HydrophobicContact CB-CZ 4.38Å; L608-F720 HydrophobicContact CD2-CD2 4.46Å; L608-F720 HydrophobicContact CD2-CE2 3.76Å; L608-F720 HydrophobicContact CD2-CZ 3.91Å; L608-F720 HydrophobicContact CG-CE2 4.46Å; L608-F720 HydrophobicContact CG-CZ 4.16Å; Y609-F720 HydrophobicContact CD2-CD1 4.46Å; Y609-F720 HydrophobicContact CD2-CE1 4.29Å; L612-F720 HydrophobicContact CD1-CD1 3.89Å; L612-F720 HydrophobicContact CD1-CE1 4.25Å; L612-F720 HydrophobicContact CD1-CG 4.28Å; F720-L755 HydrophobicContact CB-CD1 3.93Å; F720-L755 HydrophobicContact CB-CG 4.47Å; F720-L755 HydrophobicContact CD2-CD1 3.91Å; F720-L755 HydrophobicContact CG-CD1 4.27Å; F720-S756 CarbonylContact C-O 3.48Å; F720-S756 WeakPolarHBondContact CA-O 3.3Å; F720-L757 HydrophobicContact CB-CD2 3.65Å
721	Q	76.4	Confident	55.6	Low	68 Å²	68	98 Å²	98	32%	0.318	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	135.5	-176.8	-64.6	-172.2	-14.5	0	0	111.1	S756	Q721-S756 PolarHBondContact N-O 2.68Å; Q721-S756 PolarHBondContact O-N 2.87Å
722	F	71.3	Confident	56.5	Low	47 Å²	47	98.7 Å²	98.7	21%	0.206	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	122.3	169.7	-72.5	-79.5	0	0	0	109.6	I570 L608 L732 F742 L755	I570-F722 HydrophobicContact CD1-CE1 4.13Å; I570-F722 HydrophobicContact CD1-CZ 4.34Å; I570-F722 HydrophobicContact CG2-CE1 4.3Å; L608-F722 HydrophobicContact CD2-CZ 4.36Å; F722-L732 HydrophobicContact CD2-CD1 4.38Å; F722-F742 HydrophobicContact CE1-CE1 4.17Å; F722-F742 HydrophobicContact CE2-CE1 4.32Å; F722-F742 AromaticContact CZ-CE1 3.67Å; F722-F742 HydrophobicContact CZ-CE1 3.67Å; F722-F742 AromaticContact CZ-CZ 3.96Å; F722-F742 HydrophobicContact CZ-CZ 3.96Å; F722-L755 HydrophobicContact CD1-CB 4.39Å; F722-L755 HydrophobicContact CD1-CD1 4.04Å; F722-L755 HydrophobicContact CD2-CD1 4.15Å; F722-L755 HydrophobicContact CE1-CB 4.2Å; F722-L755 HydrophobicContact CE1-CD1 3.91Å; F722-L755 HydrophobicContact CE1-CD2 4.46Å; F722-L755 HydrophobicContact CE1-CG 4.43Å; F722-L755 HydrophobicContact CE2-CD1 4.02Å; F722-L755 HydrophobicContact CG-CD1 4.15Å; F722-L755 HydrophobicContact CZ-CD1 3.9Å; F722-L755 HydrophobicContact CZ-CD2 4.38Å
723	N	63.5	Low	57.1	Low	46 Å²	46	95.3 Å²	95.3	25%	0.246	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.8	174.6	-71.6	-39.7	0	0	0	109.6	R575 Y754 S756	R575-N723 PolarHBondContact NH1-ND2 3.23Å; N723-Y754 PolarHBondContact N-O 2.98Å; N723-Y754 PolarHBondContact O-N 3.47Å; N723-S756 PolarHBondContact ND2-OG 2.7Å
724	N	51.9	Low	57.3	Low	63 Å²	63	95.6 Å²	95.6	34%	0.337	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	116.4	176.2	-133.8	-1.2	0	0	0	109	G726 K727 S753	N724-G726 PolarHBondContact O-N 2.82Å; N724-G726 VanDerWaalsContact O-N 3.15Å; N724-K727 PolarHBondContact O-N 2.71Å; N724-S753 PolarHBondContact OD1-OG 3.13Å
725	M	37.3	Very low	56.8	Low	169 Å²	169	94.4 Å²	94.4	83%	0.833	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.6	47.5	172.9	-65.4	-175.9	60.8	0	0	116.6	K727	M725-K727 PolarHBondContact O-N 2.93Å; M725-K727 VanDerWaalsContact O-N 3.13Å
726	G	39.3	Very low	55.9	Low	87 Å²	87	94.7 Å²	94.7	90%	0.897	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	6.5	168.7	0	0	0	0	0	116.2	N724	N724-G726 PolarHBondContact O-N 2.82Å; N724-G726 VanDerWaalsContact O-N 3.15Å
727	K	36.9	Very low	54.2	Low	163 Å²	163	94.4 Å²	94.4	71%	0.709	50%	0.502	S	S	*	.	B	Isolated β-bridge	trans	-110.6	127.7	166.5	-72.1	-177.4	177.8	177.7	0	109.7	N724 M725 D729	N724-K727 PolarHBondContact O-N 2.71Å; M725-K727 PolarHBondContact O-N 2.93Å; M725-K727 VanDerWaalsContact O-N 3.13Å; K727-D729 VanDerWaalsContact C-N 3.25Å; K727-D729 PolarHBondContact O-N 2.83Å
728	T	37.6	Very low	53.1	Low	85 Å²	85	101.2 Å²	101.2	52%	0.521	53%	0.532	S	S	.	.			trans	-73.6	83.1	166.3	34.3	0	0	0	0	108.6	F730	T728-F730 WeakPolarHBondContact O-CD2 3.38Å; T728-F730 PolarHBondContact O-N 3.43Å
729	D	38.2	Very low	51.8	Low	99 Å²	99	104.7 Å²	104.7	53%	0.529	55%	0.55	S	S	.	*			trans	-78.8	84.6	-173.8	-149.9	-33.4	0	0	0	111.2	K727 S731	K727-D729 VanDerWaalsContact C-N 3.25Å; K727-D729 PolarHBondContact O-N 2.83Å; D729-S731 PolarHBondContact O-N 2.8Å; D729-S731 WeakPolarHBondContact OD1-CB 3.32Å; D729-S731 PolarHBondContact OD1-N 2.71Å; D729-S731 PolarHBondContact OD1-OG 2.67Å
730	F	41.9	Very low	51	Low	168 Å²	168	102.1 Å²	102.1	74%	0.737	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-60.7	-7.1	178.4	-71.1	-85.5	0	0	0	113.9	T728 L732 I733	T728-F730 WeakPolarHBondContact O-CD2 3.38Å; T728-F730 PolarHBondContact O-N 3.43Å; F730-L732 PolarHBondContact O-N 3.11Å; F730-I733 PolarHBondContact O-N 2.66Å
731	S	41.6	Very low	50.2	Low	82 Å²	82	108.1 Å²	108.1	57%	0.573	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-65.7	-16.8	-174.4	64.7	0	0	0	0	115.6	D729 I733	D729-S731 PolarHBondContact O-N 2.8Å; D729-S731 WeakPolarHBondContact OD1-CB 3.32Å; D729-S731 PolarHBondContact OD1-N 2.71Å; D729-S731 PolarHBondContact OD1-OG 2.67Å; S731-I733 VanDerWaalsContact C-N 3.26Å; S731-I733 PolarHBondContact O-N 3.4Å
732	L	46.4	Very low	49.8	Very low	76 Å²	76	105.2 Å²	105.2	40%	0.398	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-73.6	-9.7	178.1	-97.2	165.7	0	0	0	114.6	F722 F730	F722-L732 HydrophobicContact CD2-CD1 4.38Å; F730-L732 PolarHBondContact O-N 3.11Å
733	I	46.6	Very low	49.2	Very low	104 Å²	104	108.3 Å²	108.3	53%	0.533	56%	0.56	S	S	.	*			trans	-122.5	93.9	173.2	-54.2	178.1	0	0	0	109	F730 S731	F730-I733 PolarHBondContact O-N 2.66Å; S731-I733 VanDerWaalsContact C-N 3.26Å; S731-I733 PolarHBondContact O-N 3.4Å
734	K	38.5	Very low	48.4	Very low	170 Å²	170	113.8 Å²	113.8	74%	0.739	58%	0.584	S	S	*	*			trans	-78	129	165.2	-74.5	-175.1	174.9	179.2	0	109.3	D736 S737	K734-D736 PolarHBondContact O-N 3.31Å; K734-S737 PolarHBondContact O-N 2.81Å
735	E	42.7	Very low	48.2	Very low	201 Å²	201	113.8 Å²	113.8	94%	0.939	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	-29.8	-169.4	-63.2	176.6	110.4	0	0	114	S737	E735-S737 PolarHBondContact O-N 3.24Å
736	D	47.2	Very low	48.6	Very low	165 Å²	165	112 Å²	112	88%	0.882	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	8.6	178.9	-73.8	-47.1	0	0	0	115.5	K734	K734-D736 PolarHBondContact O-N 3.31Å
737	S	45.5	Very low	49.2	Very low	77 Å²	77	109.8 Å²	109.8	54%	0.538	56%	0.556	S	S	.	*			trans	-151.6	113.8	179.6	-77.9	0	0	0	0	115.2	K734 E735 L739	K734-S737 PolarHBondContact O-N 2.81Å; E735-S737 PolarHBondContact O-N 3.24Å; S737-L739 PolarHBondContact O-N 3.09Å
738	K	59	Low	49.9	Very low	159 Å²	159	111.7 Å²	111.7	69%	0.691	56%	0.559	S	S	*	*			trans	-69.7	32.8	172	-61.1	-170.3	170.2	-161.4	0	114.6	S604	S604-K738 WeakPolarHBondContact CA-O 3.38Å; S604-K738 VanDerWaalsContact CB-O 3.23Å; S604-K738 WeakPolarHBondContact CB-O 3.44Å
739	L	59	Low	50.7	Low	77 Å²	77	110.4 Å²	110.4	40%	0.403	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	109.2	-171.1	-172.4	78.4	0	0	0	110.9	S737	S737-L739 PolarHBondContact O-N 3.09Å
740	I	68.5	Low	51.6	Low	9 Å²	9	107.2 Å²	107.2	5%	0.046	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	142.1	172.9	-53.2	170.7	0	0	0	108.5	T602 L603 E605 L608 F742	T602-I740 WeakPolarHBondContact CA-O 3.27Å; L603-I740 PolarHBondContact N-O 3.41Å; L603-I740 WeakPolarHBondContact O-CB 3.41Å; L603-I740 PolarHBondContact O-N 3.06Å; E605-I740 HydrophobicContact CB-CD1 4.41Å; L608-I740 HydrophobicContact CB-CD1 4.46Å; L608-I740 HydrophobicContact CD2-CD1 3.61Å; I740-F742 HydrophobicContact CG2-CD1 4.19Å; I740-F742 HydrophobicContact CG2-CE1 3.5Å; I740-F742 VanDerWaalsContact CG2-CE1 3.5Å; I740-F742 HydrophobicContact CG2-CE2 4.21Å; I740-F742 HydrophobicContact CG2-CZ 3.51Å
741	R	65	Low	52.1	Low	156 Å²	156	102.8 Å²	102.8	59%	0.589	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.5	174.4	-60.7	-169.1	176.7	-178.3	-1	110.8	R601 T602	R601-R741 CarbonylContact O-C 3.47Å; R601-R741 WeakPolarHBondContact O-CA 3.47Å; T602-R741 HydrophobicContact CG2-CG 4.06Å
742	F	67.4	Low	52.8	Low	7 Å²	7	106.9 Å²	106.9	3%	0.031	52%	0.521	C	S	.	.			trans	-118.6	86.2	-177.9	-56.7	-57.3	0	0	0	111	V568 I570 V599 R601 F722 I740 L747	V568-F742 HydrophobicContact CG2-CB 3.98Å; I570-F742 HydrophobicContact CD1-CE1 4.06Å; I570-F742 HydrophobicContact CD1-CE2 4.12Å; I570-F742 HydrophobicContact CD1-CZ 3.73Å; V599-F742 HydrophobicContact CG2-CD2 4.08Å; V599-F742 HydrophobicContact CG2-CE2 3.56Å; V599-F742 HydrophobicContact CG2-CZ 4.29Å; R601-F742 PolarHBondContact NH1-O 3.49Å; R601-F742 PolarHBondContact O-N 2.87Å; F722-F742 HydrophobicContact CE1-CE1 4.17Å; F722-F742 HydrophobicContact CE2-CE1 4.32Å; F722-F742 AromaticContact CZ-CE1 3.67Å; F722-F742 HydrophobicContact CZ-CE1 3.67Å; F722-F742 AromaticContact CZ-CZ 3.96Å; F722-F742 HydrophobicContact CZ-CZ 3.96Å; I740-F742 HydrophobicContact CG2-CD1 4.19Å; I740-F742 HydrophobicContact CG2-CE1 3.5Å; I740-F742 VanDerWaalsContact CG2-CE1 3.5Å; I740-F742 HydrophobicContact CG2-CE2 4.21Å; I740-F742 HydrophobicContact CG2-CZ 3.51Å; F742-L747 HydrophobicContact CB-CD1 4.22Å; F742-L747 HydrophobicContact CD1-CD1 3.33Å; F742-L747 HydrophobicContact CE1-CD1 3.84Å; F742-L747 HydrophobicContact CG-CD1 3.94Å
743	D	58.3	Low	53.8	Low	111 Å²	111	104 Å²	104	59%	0.594	51%	0.507	S	S	*	.			trans	-71.5	149.3	179.3	-64.6	-16.5	0	0	0	111.6	G745 H746	D743-G745 PolarHBondContact O-N 2.79Å; D743-H746 PolarHBondContact O-N 2.89Å; D743-H746 VanDerWaalsContact O-N 3.12Å
744	E	48.7	Very low	55.1	Low	161 Å²	161	100.3 Å²	100.3	75%	0.752	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.5	-164.7	-59.9	-169.5	131.8	0	0	115.8	R601	R601-E744 IonicContact NH2-OE1 2.66Å
745	G	46.2	Very low	57.3	Low	63 Å²	63	92.2 Å²	92.2	65%	0.649	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-21.1	179.1	0	0	0	0	0	115.5	D743	D743-G745 PolarHBondContact O-N 2.79Å
746	H	46.4	Very low	59.3	Low	132 Å²	132	82.7 Å²	82.7	61%	0.611	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-16.4	-156.8	-69.9	-89.8	0	0	0	116	D743	D743-H746 PolarHBondContact O-N 2.89Å; D743-H746 VanDerWaalsContact O-N 3.12Å
747	L	51.6	Low	61.3	Low	41 Å²	41	74.8 Å²	74.8	22%	0.215	36%	0.364	C	S	.	.			trans	-130.7	89.7	179.6	-82.2	163.6	0	0	0	110.7	V568 I570 F742	V568-L747 HydrophobicContact CG1-CB 3.92Å; V568-L747 HydrophobicContact CG1-CD1 4.05Å; I570-L747 HydrophobicContact CD1-CD1 4.2Å; I570-L747 HydrophobicContact CG1-CD1 4.27Å; F742-L747 HydrophobicContact CB-CD1 4.22Å; F742-L747 HydrophobicContact CD1-CD1 3.33Å; F742-L747 HydrophobicContact CE1-CD1 3.84Å; F742-L747 HydrophobicContact CG-CD1 3.94Å
748	R	51.8	Low	63.2	Low	203 Å²	203	71.4 Å²	71.4	77%	0.766	34%	0.34	S	S	*	.			trans	-96.8	133	161.3	-69.7	-174.7	175.5	-169.9	-1.6	109	S750	R748-S750 PolarHBondContact O-N 2.94Å; R748-S750 PolarHBondContact O-OG 3.39Å; R748-S750 VanDerWaalsContact O-OG 3.13Å
749	L	54.3	Low	64.6	Low	58 Å²	58	63.9 Å²	63.9	30%	0.304	31%	0.307	S	S	.	.			trans	-54.7	113	166.7	-74.4	171.9	0	0	0	108.5	I524 I536 V569 P571	I524-L749 HydrophobicContact CD1-CD1 4.2Å; I536-L749 HydrophobicContact CD1-CD2 4.39Å; V569-L749 HydrophobicContact CB-CD1 4.3Å; V569-L749 HydrophobicContact CB-CD2 4.29Å; V569-L749 HydrophobicContact CG1-CD1 4.49Å; V569-L749 HydrophobicContact CG1-CD2 4.11Å; V569-L749 WeakPolarHBondContact O-CD2 3.33Å; P571-L749 HydrophobicContact CG-CD2 4.49Å
750	S	56.1	Low	65.9	Low	32 Å²	32	63.7 Å²	63.7	22%	0.224	31%	0.305	C	S	.	.	S	Bend	trans	-157	167.3	-173.4	62.2	0	0	0	0	110.4	R748 R752 S753	R748-S750 PolarHBondContact O-N 2.94Å; R748-S750 PolarHBondContact O-OG 3.39Å; R748-S750 VanDerWaalsContact O-OG 3.13Å; S750-R752 PolarHBondContact O-N 3.25Å; S750-R752 VanDerWaalsContact O-N 3.12Å; S750-S753 PolarHBondContact OG-OG 2.81Å
751	D	53.3	Low	66.5	Low	74 Å²	74	64.9 Å²	64.9	40%	0.396	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-0.2	177.4	64.1	-43.4	0	0	0	114.1	Y754	D751-Y754 WeakPolarHBondContact CA-OH 3.36Å; D751-Y754 WeakPolarHBondContact O-CE2 3.48Å; D751-Y754 PolarHBondContact O-OH 3.36Å
752	R	55.5	Low	67.3	Low	169 Å²	169	63 Å²	63	64%	0.638	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.5	-7	-162.9	-71.4	163.5	-153.7	-129	-12.1	116.4	S750	S750-R752 PolarHBondContact O-N 3.25Å; S750-R752 VanDerWaalsContact O-N 3.12Å
753	S	67.6	Low	68.1	Low	14 Å²	14	63.4 Å²	63.4	10%	0.098	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	101	-175.9	-58.5	0	0	0	0	110.1	P571 N724 S750	P571-S753 VanDerWaalsContact CG-O 3.25Å; P571-S753 WeakPolarHBondContact CG-O 3.37Å; N724-S753 PolarHBondContact OD1-OG 3.13Å; S750-S753 PolarHBondContact OG-OG 2.81Å
754	Y	75.1	Confident	69.3	Low	28 Å²	28	58.8 Å²	58.8	11%	0.11	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	155.8	-171.6	-60.6	-72.8	0	0	0	113.6	F533 P571 N723 D751	F533-Y754 HydrophobicContact CB-CE1 4.18Å; F533-Y754 AromaticContact CD2-CE1 3.94Å; F533-Y754 HydrophobicContact CD2-CE1 3.94Å; F533-Y754 PolarHBondContact O-OH 3.05Å; F533-Y754 VanDerWaalsContact O-OH 3.06Å; P571-Y754 HydrophobicContact CB-CD1 3.79Å; P571-Y754 HydrophobicContact CB-CE1 4Å; P571-Y754 HydrophobicContact CG-CD1 3.64Å; P571-Y754 HydrophobicContact CG-CE1 3.99Å; N723-Y754 PolarHBondContact N-O 2.98Å; N723-Y754 PolarHBondContact O-N 3.47Å; D751-Y754 WeakPolarHBondContact CA-OH 3.36Å; D751-Y754 WeakPolarHBondContact O-CE2 3.48Å; D751-Y754 PolarHBondContact O-OH 3.36Å
755	L	84.1	Confident	70.9	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	112.5	161.3	-177.1	59.9	0	0	0	109.3	I570 P571 V572 H573 L612 F720 F722 L757	I570-L755 HydrophobicContact CG2-CB 3.77Å; I570-L755 HydrophobicContact CG2-CD2 4.37Å; P571-L755 PolarHBondContact O-N 2.82Å; V572-L755 WeakPolarHBondContact CA-O 3.44Å; V572-L755 WeakPolarHBondContact CG1-O 3.32Å; V572-L755 HydrophobicContact CG2-CB 4.36Å; V572-L755 HydrophobicContact CG2-CD2 4.38Å; H573-L755 PolarHBondContact N-O 3.28Å; H573-L755 VanDerWaalsContact N-O 3.14Å; L612-L755 HydrophobicContact CD1-CD2 3.97Å; L612-L755 HydrophobicContact CD2-CD2 4Å; F720-L755 HydrophobicContact CB-CD1 3.93Å; F720-L755 HydrophobicContact CB-CG 4.47Å; F720-L755 HydrophobicContact CD2-CD1 3.91Å; F720-L755 HydrophobicContact CG-CD1 4.27Å; F722-L755 HydrophobicContact CD1-CB 4.39Å; F722-L755 HydrophobicContact CD1-CD1 4.04Å; F722-L755 HydrophobicContact CD2-CD1 4.15Å; F722-L755 HydrophobicContact CE1-CB 4.2Å; F722-L755 HydrophobicContact CE1-CD1 3.91Å; F722-L755 HydrophobicContact CE1-CD2 4.46Å; F722-L755 HydrophobicContact CE1-CG 4.43Å; F722-L755 HydrophobicContact CE2-CD1 4.02Å; F722-L755 HydrophobicContact CG-CD1 4.15Å; F722-L755 HydrophobicContact CZ-CD1 3.9Å; F722-L755 HydrophobicContact CZ-CD2 4.38Å; L755-L757 HydrophobicContact CG-CD2 4.37Å
756	S	84.7	Confident	72.5	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	136.3	173.6	-56	0	0	0	0	110.6	H573 F720 Q721 N723	H573-S756 PolarHBondContact CE1-OG 2.88Å; H573-S756 PolarHBondContact NE2-OG 3.17Å; H573-S756 WeakPolarHBondContact O-CA 3.37Å; F720-S756 CarbonylContact C-O 3.48Å; F720-S756 WeakPolarHBondContact CA-O 3.3Å; Q721-S756 PolarHBondContact N-O 2.68Å; Q721-S756 PolarHBondContact O-N 2.87Å; N723-S756 PolarHBondContact ND2-OG 2.7Å
757	L	88.7	Confident	74.2	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	112.2	169.5	-51.3	-173.9	0	0	0	109.6	V572 H573 L574 R575 F595 L612 L616 F718 F720 L755	V572-L757 HydrophobicContact CG1-CD1 3.71Å; V572-L757 HydrophobicContact CG1-CD2 3.95Å; V572-L757 HydrophobicContact CG1-CG 3.6Å; H573-L757 PolarHBondContact O-N 2.91Å; L574-L757 HydrophobicContact CG-CB 4.49Å; L574-L757 HydrophobicContact CG-CD1 4.45Å; R575-L757 PolarHBondContact N-O 2.8Å; F595-L757 HydrophobicContact CE1-CD1 4.21Å; F595-L757 HydrophobicContact CZ-CD1 4.18Å; L612-L757 HydrophobicContact CD1-CD2 3.96Å; L612-L757 HydrophobicContact CD2-CD2 4.31Å; L616-L757 HydrophobicContact CD1-CD1 3.75Å; F718-L757 HydrophobicContact CD2-CB 4.17Å; F718-L757 HydrophobicContact CD2-CD1 4.39Å; F718-L757 HydrophobicContact CD2-CD2 4.03Å; F718-L757 HydrophobicContact CD2-CG 4.42Å; F718-L757 HydrophobicContact CE2-CD1 4.17Å; F718-L757 HydrophobicContact CE2-CD2 3.95Å; F718-L757 HydrophobicContact CZ-CD1 4.5Å; F720-L757 HydrophobicContact CB-CD2 3.65Å; L755-L757 HydrophobicContact CG-CD2 4.37Å
758	D	85.8	Confident	75.7	Confident	6 Å²	6	56 Å²	56	3%	0.032	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	109.9	179.3	-79	-60.3	0	0	0	111	R575 K577 F718 T719	R575-D758 IonicContact CZ-OD1 2.65Å; R575-D758 VanDerWaalsContact CZ-OD1 3.25Å; R575-D758 IonicContact CZ-OD2 2.64Å; R575-D758 IonicContact NE-OD1 3.2Å; R575-D758 PolarHBondContact NE-OD1 3.26Å; R575-D758 IonicContact NE-OD2 2.8Å; R575-D758 VanDerWaalsContact NH2-CG 3.25Å; R575-D758 IonicContact NH2-OD1 3.73Å; R575-D758 PolarHBondContact NH2-OD1 2.99Å; R575-D758 IonicContact NH2-OD2 3.87Å; R575-D758 PolarHBondContact NH2-OD2 3.31Å; K577-D758 HydrophobicContact CB-CB 4.34Å; K577-D758 HydrophobicContact CD-CB 4.08Å; F718-D758 CarbonylContact C-O 3.58Å; F718-D758 WeakPolarHBondContact CA-O 3.46Å; F718-D758 VanDerWaalsContact CB-O 3.24Å; F718-D758 WeakPolarHBondContact CB-O 3.45Å; T719-D758 PolarHBondContact N-O 3.08Å; T719-D758 PolarHBondContact O-N 2.85Å; T719-D758 VanDerWaalsContact OG1-CB 3.28Å; T719-D758 WeakPolarHBondContact OG1-CB 3.38Å
759	W	88.4	Confident	77.1	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	133.1	173.1	-72.9	76	0	0	0	111	R575 K577 F591 L616 V620 L717 F718 I763 K764 F768	R575-W759 PolarHBondContact O-N 3.4Å; K577-W759 PolarHBondContact N-O 2.8Å; F591-W759 HydrophobicContact CE1-CB 4.31Å; F591-W759 HydrophobicContact CE1-CG 4.41Å; F591-W759 HydrophobicContact CZ-CB 4.05Å; F591-W759 AromaticContact CZ-CD1 3.69Å; F591-W759 HydrophobicContact CZ-CD2 4.38Å; F591-W759 AromaticContact CZ-CG 3.78Å; F591-W759 HydrophobicContact CZ-CG 3.78Å; L616-W759 HydrophobicContact CD1-CZ2 4.01Å; V620-W759 HydrophobicContact CG1-CH2 4.37Å; V620-W759 HydrophobicContact CG2-CH2 3.67Å; V620-W759 HydrophobicContact CG2-CZ2 4.06Å; L717-W759 HydrophobicContact CB-CH2 3.94Å; L717-W759 HydrophobicContact CB-CZ3 3.89Å; L717-W759 HydrophobicContact CD1-CH2 4.4Å; F718-W759 HydrophobicContact CB-CD2 4.08Å; F718-W759 HydrophobicContact CB-CG 4.09Å; F718-W759 HydrophobicContact CB-CZ2 4.46Å; F718-W759 AromaticContact CD1-CE2 3.71Å; F718-W759 HydrophobicContact CD1-CH2 4.1Å; F718-W759 AromaticContact CD1-CZ2 3.45Å; F718-W759 HydrophobicContact CD1-CZ2 3.45Å; F718-W759 VanDerWaalsContact CD1-CZ2 3.45Å; F718-W759 AromaticContact CD1-NE1 3.98Å; F718-W759 HydrophobicContact CE1-CZ2 4.07Å; F718-W759 HydrophobicContact CG-CZ2 4.3Å; W759-I763 HydrophobicContact CE3-CG2 4.19Å; W759-I763 HydrophobicContact CZ3-CG2 4.2Å; W759-K764 HydrophobicContact CB-CB 4.27Å; W759-K764 HydrophobicContact CE3-CB 4.33Å; W759-F768 HydrophobicContact CH2-CD2 4.29Å; W759-F768 HydrophobicContact CZ2-CD2 4.16Å; W759-F768 HydrophobicContact CZ3-CB 4.39Å
760	E	85.4	Confident	78	Confident	73 Å²	73	49.7 Å²	49.7	34%	0.341	23%	0.229	S	C	.	.			trans	-71.2	133.3	166.4	-60.1	-168	133.7	0	0	108.7	E762 I763 K764	E760-E762 PolarHBondContact O-N 2.84Å; E760-E762 VanDerWaalsContact O-N 3.14Å; E760-I763 HydrophobicContact CB-CB 4.35Å; E760-I763 HydrophobicContact CB-CD1 4.05Å; E760-I763 HydrophobicContact CB-CG1 4.05Å; E760-I763 HydrophobicContact CG-CD1 4.27Å; E760-I763 WeakPolarHBondContact O-CA 3.13Å; E760-I763 PolarHBondContact O-N 2.77Å; E760-I763 WeakPolarHBondContact OE2-CD1 3.48Å; E760-K764 PolarHBondContact O-N 3.47Å
761	P	83	Confident	78.6	Confident	34 Å²	34	53.7 Å²	53.7	22%	0.221	25%	0.253	C	S	.	.	H	α-helix	trans	-54.5	-35.8	-174.5	-28.6	35.4	0	0	0	114.2	Y578 I763 K764 K765	Y578-P761 HydrophobicContact CD1-CG 4.4Å; Y578-P761 HydrophobicContact CE1-CG 4.2Å; P761-I763 VanDerWaalsContact C-N 3.35Å; P761-K764 PolarHBondContact O-N 2.8Å; P761-K765 WeakPolarHBondContact O-CB 3.39Å; P761-K765 PolarHBondContact O-N 3.15Å
762	E	80.7	Confident	79.4	Confident	118 Å²	118	52 Å²	52	55%	0.551	25%	0.245	S	C	*	.	H	α-helix	trans	-68.3	-33.7	177.6	-51.8	92.2	147	0	0	112.1	K579 E760 K766	K579-E762 IonicContact NZ-OE1 2.79Å; E760-E762 PolarHBondContact O-N 2.84Å; E760-E762 VanDerWaalsContact O-N 3.14Å; E762-K766 PolarHBondContact O-N 3.33Å
763	I	83.6	Confident	79.9	Confident	14 Å²	14	45.5 Å²	45.5	7%	0.072	22%	0.224	C	C	.	.	H	α-helix	trans	-78	-41.4	176.1	-58.5	-178.9	0	0	0	110.1	L717 W759 E760 P761 K766 Y767	L717-I763 HydrophobicContact CB-CG2 4.16Å; L717-I763 HydrophobicContact CD2-CG2 3.98Å; L717-I763 WeakPolarHBondContact O-CG2 3.39Å; W759-I763 HydrophobicContact CE3-CG2 4.19Å; W759-I763 HydrophobicContact CZ3-CG2 4.2Å; E760-I763 HydrophobicContact CB-CB 4.35Å; E760-I763 HydrophobicContact CB-CD1 4.05Å; E760-I763 HydrophobicContact CB-CG1 4.05Å; E760-I763 HydrophobicContact CG-CD1 4.27Å; E760-I763 WeakPolarHBondContact O-CA 3.13Å; E760-I763 PolarHBondContact O-N 2.77Å; E760-I763 WeakPolarHBondContact OE2-CD1 3.48Å; P761-I763 VanDerWaalsContact C-N 3.35Å; I763-K766 PolarHBondContact O-N 3.01Å; I763-Y767 HydrophobicContact CG2-CD2 3.77Å; I763-Y767 HydrophobicContact CG2-CE2 4.41Å; I763-Y767 WeakPolarHBondContact O-CD2 3.43Å; I763-Y767 PolarHBondContact O-N 2.99Å
764	K	84.3	Confident	79.7	Confident	15 Å²	15	53 Å²	53	7%	0.065	26%	0.257	C	S	.	.	H	α-helix	trans	-56.1	-53.5	172.5	-175.6	-167.2	165.9	-176.7	0	110.1	E576 F591 W759 E760 P761 K766 Y767 F768 E770	E576-K764 HydrophobicContact CG-CD 3.97Å; E576-K764 WeakPolarHBondContact OE1-CD 3.42Å; E576-K764 WeakPolarHBondContact OE1-CE 3.49Å; E576-K764 IonicContact OE1-NZ 3.42Å; E576-K764 PolarHBondContact OE1-NZ 2.91Å; F591-K764 HydrophobicContact CD1-CD 4.22Å; F591-K764 HydrophobicContact CD2-CD 4.17Å; F591-K764 HydrophobicContact CE1-CD 3.89Å; F591-K764 HydrophobicContact CE2-CD 3.84Å; F591-K764 HydrophobicContact CE2-CG 4.07Å; F591-K764 HydrophobicContact CG-CD 4.35Å; F591-K764 HydrophobicContact CZ-CD 3.68Å; F591-K764 HydrophobicContact CZ-CG 3.97Å; W759-K764 HydrophobicContact CB-CB 4.27Å; W759-K764 HydrophobicContact CE3-CB 4.33Å; E760-K764 PolarHBondContact O-N 3.47Å; P761-K764 PolarHBondContact O-N 2.8Å; K764-K766 VanDerWaalsContact C-N 3.26Å; K764-K766 PolarHBondContact O-N 3Å; K764-Y767 PolarHBondContact O-N 3.05Å; K764-F768 HydrophobicContact CG-CB 3.75Å; K764-F768 HydrophobicContact CG-CG 4.3Å; K764-F768 WeakPolarHBondContact O-CA 3.46Å; K764-F768 WeakPolarHBondContact O-CB 3.49Å; K764-F768 PolarHBondContact O-N 2.95Å; K764-E770 WeakPolarHBondContact CE-OE1 3.36Å; K764-E770 IonicContact NZ-OE1 2.68Å; K764-E770 PolarHBondContact NZ-OE1 3.09Å
765	K	81.9	Confident	79.9	Confident	191 Å²	191	54.5 Å²	54.5	83%	0.83	27%	0.267	S	S	*	.	H	α-helix	trans	-60.7	-29.9	-177.2	-174.9	171.9	-180	176.7	0	114.1	P761	P761-K765 WeakPolarHBondContact O-CB 3.39Å; P761-K765 PolarHBondContact O-N 3.15Å
766	K	80.1	Confident	79.9	Confident	86 Å²	86	58.5 Å²	58.5	37%	0.374	28%	0.283	S	S	.	.	H	α-helix	trans	-84.3	-38.6	176.8	-176.2	165.9	179.2	171.2	0	113.3	E626 E762 I763 K764	E626-K766 VanDerWaalsContact CD-NZ 3.34Å; E626-K766 VanDerWaalsContact OE1-CE 3.29Å; E626-K766 WeakPolarHBondContact OE1-CE 3.5Å; E626-K766 IonicContact OE1-NZ 3.99Å; E626-K766 WeakPolarHBondContact OE2-CE 3.21Å; E626-K766 IonicContact OE2-NZ 2.66Å; E626-K766 PolarHBondContact OE2-NZ 2.89Å; E762-K766 PolarHBondContact O-N 3.33Å; I763-K766 PolarHBondContact O-N 3.01Å; K764-K766 VanDerWaalsContact C-N 3.26Å; K764-K766 PolarHBondContact O-N 3Å
767	Y	82.7	Confident	80.1	Confident	45 Å²	45	62 Å²	62	18%	0.176	30%	0.302	C	S	.	.	H	α-helix	trans	-115.7	-18.5	-166.9	-60.7	-70.7	0	0	0	115.6	V620 R621 P623 L717 I763 K764	V620-Y767 CarbonylContact C-O 3.55Å; V620-Y767 VanDerWaalsContact CA-O 3.28Å; V620-Y767 WeakPolarHBondContact CA-O 3.26Å; R621-Y767 PolarHBondContact N-O 2.92Å; P623-Y767 HydrophobicContact CB-CE1 3.93Å; P623-Y767 HydrophobicContact CG-CD1 4.26Å; P623-Y767 HydrophobicContact CG-CE1 3.96Å; L717-Y767 HydrophobicContact CD2-CD2 3.98Å; L717-Y767 HydrophobicContact CD2-CE2 4.32Å; L717-Y767 HydrophobicContact CD2-CG 4.26Å; I763-Y767 HydrophobicContact CG2-CD2 3.77Å; I763-Y767 HydrophobicContact CG2-CE2 4.41Å; I763-Y767 WeakPolarHBondContact O-CD2 3.43Å; I763-Y767 PolarHBondContact O-N 2.99Å; K764-Y767 PolarHBondContact O-N 3.05Å
768	F	83	Confident	80.1	Confident	15 Å²	15	68.3 Å²	68.3	7%	0.066	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-97.8	126.6	-179.2	-166.8	-86.5	0	0	0	111.2	L574 F591 F619 V620 W759 K764 E770 V773	L574-F768 HydrophobicContact CD2-CD2 4.29Å; L574-F768 HydrophobicContact CD2-CE2 3.49Å; L574-F768 VanDerWaalsContact CD2-CE2 3.49Å; L574-F768 HydrophobicContact CD2-CZ 3.93Å; F591-F768 HydrophobicContact CD2-CD1 4.13Å; F591-F768 AromaticContact CD2-CE1 3.79Å; F591-F768 HydrophobicContact CD2-CE1 3.79Å; F591-F768 HydrophobicContact CD2-CZ 4.04Å; F591-F768 AromaticContact CE2-CD1 3.79Å; F591-F768 HydrophobicContact CE2-CD1 3.79Å; F591-F768 AromaticContact CE2-CD2 3.96Å; F591-F768 HydrophobicContact CE2-CD2 3.96Å; F591-F768 AromaticContact CE2-CE1 3.74Å; F591-F768 HydrophobicContact CE2-CE1 3.74Å; F591-F768 AromaticContact CE2-CE2 3.91Å; F591-F768 HydrophobicContact CE2-CE2 3.91Å; F591-F768 AromaticContact CE2-CG 3.91Å; F591-F768 HydrophobicContact CE2-CG 3.91Å; F591-F768 AromaticContact CE2-CZ 3.8Å; F591-F768 HydrophobicContact CE2-CZ 3.8Å; F619-F768 HydrophobicContact CB-CD2 4.17Å; F619-F768 HydrophobicContact CB-CE1 4.48Å; F619-F768 HydrophobicContact CB-CE2 3.6Å; F619-F768 HydrophobicContact CB-CZ 3.79Å; F619-F768 HydrophobicContact CG-CE2 4.39Å; F619-F768 HydrophobicContact CG-CZ 4.26Å; F619-F768 CarbonylContact O-C 3.54Å; F619-F768 VanDerWaalsContact O-CA 3.3Å; F619-F768 WeakPolarHBondContact O-CA 3.47Å; V620-F768 HydrophobicContact CG2-CD2 4.27Å; W759-F768 HydrophobicContact CH2-CD2 4.29Å; W759-F768 HydrophobicContact CZ2-CD2 4.16Å; W759-F768 HydrophobicContact CZ3-CB 4.39Å; K764-F768 HydrophobicContact CG-CB 3.75Å; K764-F768 HydrophobicContact CG-CG 4.3Å; K764-F768 WeakPolarHBondContact O-CA 3.46Å; K764-F768 WeakPolarHBondContact O-CB 3.49Å; K764-F768 PolarHBondContact O-N 2.95Å; F768-E770 HydrophobicContact CD1-CG 3.8Å; F768-E770 HydrophobicContact CE1-CG 4.01Å; F768-V773 HydrophobicContact CE1-CG2 3.98Å; F768-V773 HydrophobicContact CZ-CG2 4.21Å
769	D	80	Confident	80.4	Confident	23 Å²	23	70.4 Å²	70.4	12%	0.123	34%	0.338	C	S	.	.			trans	-100.6	101.3	-179.2	-155.9	-38.6	0	0	0	111.6	F619 R621 T771 V772	F619-D769 PolarHBondContact O-N 2.81Å; R621-D769 IonicContact CZ-OD2 3.66Å; R621-D769 VanDerWaalsContact CZ-OD2 3.3Å; R621-D769 IonicContact NE-OD2 3.73Å; R621-D769 PolarHBondContact NE-OD2 3.33Å; R621-D769 VanDerWaalsContact NE-OD2 3.11Å; R621-D769 IonicContact NH2-OD2 2.73Å; R621-D769 PolarHBondContact NH2-OD2 3.29Å; D769-T771 VanDerWaalsContact C-N 3.32Å; D769-T771 WeakPolarHBondContact OD1-CB 3.49Å; D769-T771 PolarHBondContact OD1-N 3.15Å; D769-T771 VanDerWaalsContact OD1-N 3.12Å; D769-T771 PolarHBondContact OD1-OG1 3.28Å; D769-V772 HydrophobicContact CB-CG2 4.21Å
770	E	73.2	Confident	80.4	Confident	106 Å²	106	78.2 Å²	78.2	50%	0.495	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-71.4	-26.7	179.3	-62	-171.4	122.5	0	0	112.5	K764 F768 V772 V773	K764-E770 WeakPolarHBondContact CE-OE1 3.36Å; K764-E770 IonicContact NZ-OE1 2.68Å; K764-E770 PolarHBondContact NZ-OE1 3.09Å; F768-E770 HydrophobicContact CD1-CG 3.8Å; F768-E770 HydrophobicContact CE1-CG 4.01Å; E770-V772 PolarHBondContact O-N 2.75Å; E770-V773 WeakPolarHBondContact O-CB 3.5Å; E770-V773 WeakPolarHBondContact O-CG2 3.33Å; E770-V773 PolarHBondContact O-N 3.46Å; E770-V773 VanDerWaalsContact O-N 3.12Å
771	T	68.5	Low	80.4	Confident	117 Å²	117	76 Å²	76	72%	0.718	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-67.3	-21.3	-177.7	70.3	0	0	0	0	113	D769	D769-T771 VanDerWaalsContact C-N 3.32Å; D769-T771 WeakPolarHBondContact OD1-CB 3.49Å; D769-T771 PolarHBondContact OD1-N 3.15Å; D769-T771 VanDerWaalsContact OD1-N 3.12Å; D769-T771 PolarHBondContact OD1-OG1 3.28Å
772	V	70.4	Confident	80.5	Confident	38 Å²	38	76.3 Å²	76.3	23%	0.23	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-89.5	-6.6	-179.3	178.8	0	0	0	0	112.2	R618 F619 D769 E770	R618-V772 HydrophobicContact CG-CG1 3.67Å; R618-V772 PolarHBondContact NH2-O 2.78Å; F619-V772 HydrophobicContact CD1-CB 4.43Å; F619-V772 HydrophobicContact CD1-CG1 4.22Å; F619-V772 HydrophobicContact CE1-CG1 4.37Å; D769-V772 HydrophobicContact CB-CG2 4.21Å; E770-V772 PolarHBondContact O-N 2.75Å
773	V	65.5	Low	80.3	Confident	33 Å²	33	78.6 Å²	78.6	20%	0.2	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-38.3	-179.4	178.2	0	0	0	0	112.3	L593 F619 F768 E770 D775	L593-V773 HydrophobicContact CB-CG1 4.45Å; F619-V773 HydrophobicContact CD1-CG2 3.89Å; F619-V773 HydrophobicContact CE1-CG2 4.11Å; F768-V773 HydrophobicContact CE1-CG2 3.98Å; F768-V773 HydrophobicContact CZ-CG2 4.21Å; E770-V773 WeakPolarHBondContact O-CB 3.5Å; E770-V773 WeakPolarHBondContact O-CG2 3.33Å; E770-V773 PolarHBondContact O-N 3.46Å; E770-V773 VanDerWaalsContact O-N 3.12Å; V773-D775 VanDerWaalsContact C-N 3.32Å
774	E	64.9	Low	79.2	Confident	171 Å²	171	83 Å²	83	80%	0.799	39%	0.394	S	S	*	.	S	Bend	trans	-87.3	1.5	-176.9	-58.7	-174.3	166	0	0	113.4	Y776	E774-Y776 VanDerWaalsContact O-CD1 3.3Å; E774-Y776 WeakPolarHBondContact O-CD1 3.32Å; E774-Y776 PolarHBondContact O-N 3.08Å
775	D	79.4	Confident	77.9	Confident	59 Å²	59	91 Å²	91	32%	0.316	43%	0.429	S	S	.	.			trans	-88.4	102.4	-173.3	171.9	43.6	0	0	0	112.9	K491 R618 V773	K491-D775 WeakPolarHBondContact CE-OD1 3.49Å; K491-D775 WeakPolarHBondContact CE-OD2 3.41Å; K491-D775 VanDerWaalsContact NZ-CG 3.28Å; K491-D775 IonicContact NZ-OD1 2.84Å; K491-D775 PolarHBondContact NZ-OD1 2.99Å; K491-D775 IonicContact NZ-OD2 2.7Å; K491-D775 PolarHBondContact NZ-OD2 3.23Å; K491-D775 VanDerWaalsContact NZ-OD2 3.12Å; R618-D775 PolarHBondContact NH2-O 3.28Å; R618-D775 IonicContact NH2-OD2 3.24Å; R618-D775 PolarHBondContact NH2-OD2 3.31Å; V773-D775 VanDerWaalsContact C-N 3.32Å
776	Y	83.3	Confident	76.5	Confident	84 Å²	84	87.3 Å²	87.3	33%	0.329	42%	0.424	S	S	.	.			trans	-124	151.7	-178.8	68.6	-90.7	0	0	0	112.7	Y482 P492 Q494 E774 K778	Y482-Y776 HydrophobicContact CD1-CD2 4.39Å; Y482-Y776 HydrophobicContact CD1-CG 4.47Å; Y482-Y776 HydrophobicContact CE1-CD1 4.41Å; Y482-Y776 HydrophobicContact CE1-CD2 4.01Å; Y482-Y776 HydrophobicContact CE1-CE2 4.09Å; Y482-Y776 HydrophobicContact CE1-CG 4.19Å; P492-Y776 CarbonylContact O-C 3.54Å; P492-Y776 WeakPolarHBondContact O-CA 3.29Å; P492-Y776 WeakPolarHBondContact O-CB 3.46Å; Q494-Y776 HydrophobicContact CB-CD2 3.93Å; Q494-Y776 HydrophobicContact CB-CE2 4.04Å; E774-Y776 VanDerWaalsContact O-CD1 3.3Å; E774-Y776 WeakPolarHBondContact O-CD1 3.32Å; E774-Y776 PolarHBondContact O-N 3.08Å; Y776-K778 HydrophobicContact CD2-CG 4.33Å; Y776-K778 HydrophobicContact CE2-CD 4.31Å; Y776-K778 HydrophobicContact CE2-CG 3.87Å; Y776-K778 VanDerWaalsContact OH-CE 3.29Å; Y776-K778 WeakPolarHBondContact OH-CE 3.42Å; Y776-K778 PolarHBondContact OH-NZ 3.43Å
777	D	89.1	Confident	75.3	Confident	74 Å²	74	89.4 Å²	89.4	40%	0.396	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	154.5	173.9	-70.8	-34.7	0	0	0	111.5	K491 P492 T493 Q494	K491-D777 HydrophobicContact CD-CB 4.49Å; K491-D777 WeakPolarHBondContact CD-OD1 3.49Å; K491-D777 VanDerWaalsContact CD-OD2 3.29Å; K491-D777 WeakPolarHBondContact CD-OD2 3.29Å; K491-D777 IonicContact NZ-OD1 2.68Å; P492-D777 PolarHBondContact O-N 2.79Å; T493-D777 CarbonylContact C-O 3.54Å; T493-D777 WeakPolarHBondContact CA-O 3.43Å; T493-D777 HydrophobicContact CG2-CB 4.29Å; Q494-D777 PolarHBondContact N-O 3.1Å
778	K	89.6	Confident	73.8	Confident	133 Å²	133	96.7 Å²	96.7	58%	0.578	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.2	174	-69.3	-178.5	179	177.8	0	110.5	Q494 Y776 M782	Q494-K778 HydrophobicContact CB-CG 4.43Å; Q494-K778 VanDerWaalsContact OE1-CE 3.32Å; Y776-K778 HydrophobicContact CD2-CG 4.33Å; Y776-K778 HydrophobicContact CE2-CD 4.31Å; Y776-K778 HydrophobicContact CE2-CG 3.87Å; Y776-K778 VanDerWaalsContact OH-CE 3.29Å; Y776-K778 WeakPolarHBondContact OH-CE 3.42Å; Y776-K778 PolarHBondContact OH-NZ 3.43Å; K778-M782 HydrophobicContact CB-CB 4.38Å; K778-M782 HydrophobicContact CB-CG 4.11Å; K778-M782 HydrophobicContact CG-CG 4.47Å
779	H	91.3	Very high	72.4	Confident	49 Å²	49	103.9 Å²	103.9	23%	0.227	50%	0.499	C	S	.	.			trans	-74.4	155.7	175.2	-176.1	-108.5	0	0	0	111.4	T493 Q494 Y495 S781 M782	T493-H779 HydrophobicContact CG2-CB 4Å; Q494-H779 VanDerWaalsContact O-CB 3.29Å; Q494-H779 WeakPolarHBondContact O-CB 3.49Å; Q494-H779 PolarHBondContact O-N 2.82Å; Y495-H779 HydrophobicContact CD1-CB 3.79Å; Y495-H779 AromaticContact CD1-CG 3.52Å; Y495-H779 AromaticContact CD1-ND1 3.41Å; Y495-H779 WeakPolarHBondContact CD1-ND1 3.34Å; Y495-H779 HydrophobicContact CE1-CB 3.83Å; Y495-H779 AromaticContact CE1-CD2 3.48Å; Y495-H779 VanDerWaalsContact CE1-CD2 3.48Å; Y495-H779 WeakPolarHBondContact CE1-CD2 3.49Å; Y495-H779 AromaticContact CE1-CE1 3.76Å; Y495-H779 AromaticContact CE1-CG 3.32Å; Y495-H779 AromaticContact CE1-ND1 3.49Å; Y495-H779 WeakPolarHBondContact CE1-ND1 3.14Å; Y495-H779 AromaticContact CE1-NE2 3.75Å; Y495-H779 HydrophobicContact CG-CB 4.13Å; Y495-H779 AromaticContact CZ-CD2 3.99Å; H779-S781 PolarHBondContact ND1-N 2.93Å; H779-S781 PolarHBondContact ND1-OG 3.34Å; H779-S781 PolarHBondContact O-N 2.78Å; H779-M782 VanDerWaalsContact O-CB 3.26Å; H779-M782 WeakPolarHBondContact O-CB 3.38Å; H779-M782 WeakPolarHBondContact O-CG 3.48Å; H779-M782 PolarHBondContact O-N 3.16Å
780	E	87.9	Confident	71.6	Confident	164 Å²	164	103.9 Å²	103.9	77%	0.766	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-54.1	-27.4	178.8	-63.6	-176.8	175.4	0	0	113.3	M782 E783	E780-M782 PolarHBondContact O-N 2.84Å; E780-E783 WeakPolarHBondContact O-CB 3.44Å; E780-E783 PolarHBondContact O-N 2.74Å
781	S	86	Confident	71.8	Confident	26 Å²	26	103.7 Å²	103.7	18%	0.182	50%	0.5	C	S	.	.	G	3₁₀ helix	trans	-64.7	-16.9	175.1	63.3	0	0	0	0	114.1	K496 H779 E783 Y784	K496-S781 WeakPolarHBondContact CB-O 3.37Å; K496-S781 PolarHBondContact N-OG 3.09Å; K496-S781 WeakPolarHBondContact O-CB 3.03Å; K496-S781 PolarHBondContact O-OG 2.88Å; K496-S781 VanDerWaalsContact O-OG 3.09Å; H779-S781 PolarHBondContact ND1-N 2.93Å; H779-S781 PolarHBondContact ND1-OG 3.34Å; H779-S781 PolarHBondContact O-N 2.78Å; S781-E783 VanDerWaalsContact C-N 3.29Å; S781-Y784 WeakPolarHBondContact O-CB 3.26Å; S781-Y784 PolarHBondContact O-N 3.12Å
782	M	84.2	Confident	72.6	Confident	41 Å²	41	99.7 Å²	99.7	20%	0.202	47%	0.473	C	S	.	.	G	3₁₀ helix	trans	-70.1	-23.6	170.5	-60.6	-58	-58.7	0	0	112.7	E480 Q494 K496 K778 H779 E780 Y784	E480-M782 HydrophobicContact CG-CE 4.28Å; Q494-M782 HydrophobicContact CB-SD 4.37Å; Q494-M782 VanDerWaalsContact CD-CE 3.43Å; Q494-M782 HydrophobicContact CG-CE 4.01Å; Q494-M782 HydrophobicContact CG-SD 3.82Å; Q494-M782 WeakPolarHBondContact O-CG 3.19Å; K496-M782 HydrophobicContact CB-SD 3.82Å; K496-M782 PolarHBondContact N-SD 3.14Å; K778-M782 HydrophobicContact CB-CB 4.38Å; K778-M782 HydrophobicContact CB-CG 4.11Å; K778-M782 HydrophobicContact CG-CG 4.47Å; H779-M782 VanDerWaalsContact O-CB 3.26Å; H779-M782 WeakPolarHBondContact O-CB 3.38Å; H779-M782 WeakPolarHBondContact O-CG 3.48Å; H779-M782 PolarHBondContact O-N 3.16Å; E780-M782 PolarHBondContact O-N 2.84Å; M782-Y784 PolarHBondContact O-N 3.14Å
783	E	77	Confident	73.7	Confident	167 Å²	167	102.9 Å²	102.9	78%	0.78	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-77.1	6	176	-57.4	-159.4	162.1	0	0	113.5	E780 S781 K785	E780-E783 WeakPolarHBondContact O-CB 3.44Å; E780-E783 PolarHBondContact O-N 2.74Å; S781-E783 VanDerWaalsContact C-N 3.29Å; E783-K785 PolarHBondContact O-N 2.95Å
784	Y	60.1	Low	75	Confident	105 Å²	105	101.5 Å²	101.5	41%	0.412	48%	0.475	S	S	.	.			trans	-56.9	99.7	177.9	179.3	-98.4	0	0	0	111.6	S781 M782 Q787	S781-Y784 WeakPolarHBondContact O-CB 3.26Å; S781-Y784 PolarHBondContact O-N 3.12Å; M782-Y784 PolarHBondContact O-N 3.14Å; Y784-Q787 WeakPolarHBondContact OH-CG 3.28Å
785	K	56.9	Low	76.4	Confident	185 Å²	185	96 Å²	96	80%	0.804	45%	0.448	S	S	*	.			trans	-59.4	121.2	169	-67.9	177.7	-177.7	173.5	0	107.6	E783 Q787	E783-K785 PolarHBondContact O-N 2.95Å; K785-Q787 PolarHBondContact O-N 3.06Å
786	P	54.3	Low	76.9	Confident	113 Å²	113	96 Å²	96	73%	0.734	45%	0.448	S	S	*	.			trans	-59.6	126.4	-176.9	23.4	-33	0	0	0	109.6	K788	P786-K788 PolarHBondContact O-N 2.85Å
787	Q	53.8	Low	77.4	Confident	130 Å²	130	92 Å²	92	61%	0.607	43%	0.433	S	S	*	.			trans	-45.3	133.4	160	-83.2	178.7	-5.9	0	0	108.3	Y784 K785 K789	Y784-Q787 WeakPolarHBondContact OH-CG 3.28Å; K785-Q787 PolarHBondContact O-N 3.06Å; Q787-K789 PolarHBondContact O-N 2.97Å
788	K	51.3	Low	77.7	Confident	198 Å²	198	88.7 Å²	88.7	86%	0.861	42%	0.415	S	S	*	.			trans	-43.3	133	178.4	-74.3	-174.3	173.7	-175.1	0	109.6	P786 A790	P786-K788 PolarHBondContact O-N 2.85Å; K788-A790 PolarHBondContact O-N 2.86Å
789	K	54	Low	77.8	Confident	165 Å²	165	87.6 Å²	87.6	72%	0.717	41%	0.412	S	S	*	.			trans	-46.8	127.8	-179.4	-74.7	-176.2	175.8	-178.6	0	108.5	Q787 F791	Q787-K789 PolarHBondContact O-N 2.97Å; K789-F791 PolarHBondContact O-N 3.41Å
790	A	63.5	Low	77.8	Confident	23 Å²	23	88.5 Å²	88.5	19%	0.19	42%	0.418	C	S	.	.			trans	-60.4	130.5	-173.4	0	0	0	0	0	109.9	K788 F792	K788-A790 PolarHBondContact O-N 2.86Å; A790-F792 HydrophobicContact CB-CE1 4.33Å; A790-F792 HydrophobicContact CB-CE2 3.96Å; A790-F792 HydrophobicContact CB-CZ 3.67Å
791	F	77.3	Confident	78.1	Confident	102 Å²	102	82.4 Å²	82.4	45%	0.447	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	125.4	-176	165.4	-93.3	0	0	0	105.2	K789 L857 D859	K789-F791 PolarHBondContact O-N 3.41Å; F791-L857 WeakPolarHBondContact CA-O 3.39Å; F791-L857 HydrophobicContact CD2-CB 4.21Å; F791-L857 HydrophobicContact CD2-CD2 3.83Å; F791-L857 HydrophobicContact CD2-CG 3.91Å; F791-L857 HydrophobicContact CE2-CD2 4.15Å; F791-L857 HydrophobicContact CE2-CG 4.35Å; F791-D859 HydrophobicContact CD2-CB 4.44Å; F791-D859 HydrophobicContact CE1-CB 4.19Å; F791-D859 HydrophobicContact CE2-CB 3.55Å; F791-D859 HydrophobicContact CZ-CB 3.42Å; F791-D859 VanDerWaalsContact CZ-CB 3.42Å; F791-D859 WeakPolarHBondContact CZ-OD2 3.21Å
792	F	85.8	Confident	78.4	Confident	33 Å²	33	82.3 Å²	82.3	15%	0.145	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	146	-177.2	-52.5	-66.2	0	0	0	107.9	P472 A790 D796 L857 V858 D859	P472-F792 HydrophobicContact CB-CD1 4.05Å; P472-F792 HydrophobicContact CB-CE1 3.71Å; P472-F792 HydrophobicContact CB-CE2 4.29Å; P472-F792 HydrophobicContact CB-CG 4.47Å; P472-F792 HydrophobicContact CB-CZ 3.83Å; P472-F792 HydrophobicContact CG-CD1 3.82Å; P472-F792 HydrophobicContact CG-CD2 4.35Å; P472-F792 HydrophobicContact CG-CE1 4.03Å; P472-F792 HydrophobicContact CG-CG 3.98Å; P472-F792 HydrophobicContact CG-CZ 4.36Å; P472-F792 VanDerWaalsContact O-CZ 3.3Å; P472-F792 WeakPolarHBondContact O-CZ 3.38Å; A790-F792 HydrophobicContact CB-CE1 4.33Å; A790-F792 HydrophobicContact CB-CE2 3.96Å; A790-F792 HydrophobicContact CB-CZ 3.67Å; F792-D796 WeakPolarHBondContact CA-OD2 3.38Å; F792-D796 HydrophobicContact CB-CB 4.49Å; F792-L857 PolarHBondContact N-O 3.07Å; F792-L857 VanDerWaalsContact N-O 3.15Å; F792-V858 CarbonylContact O-C 3.56Å; F792-V858 VanDerWaalsContact O-CA 3.29Å; F792-V858 WeakPolarHBondContact O-CA 3.29Å; F792-D859 PolarHBondContact O-N 3.29Å
793	K	92	Very high	78.8	Confident	106 Å²	106	84 Å²	84	46%	0.461	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	155.8	168.8	-59.8	-171.7	168.1	-169.6	0	110.7	K795 D796 C797 D859	K793-K795 HydrophobicContact CB-CB 4.42Å; K793-K795 PolarHBondContact O-N 2.82Å; K793-D796 WeakPolarHBondContact CB-OD1 3.44Å; K793-D796 VanDerWaalsContact N-CG 3.32Å; K793-D796 PolarHBondContact N-OD2 3.17Å; K793-D796 WeakPolarHBondContact O-CB 3.36Å; K793-D796 PolarHBondContact O-N 2.96Å; K793-D796 VanDerWaalsContact O-N 3.08Å; K793-C797 PolarHBondContact O-N 3.18Å; K793-D859 HydrophobicContact CG-CB 4.18Å
794	L	94.1	Very high	79.5	Confident	3 Å²	3	81.8 Å²	81.8	2%	0.016	39%	0.388	C	S	.	.	H	α-helix	trans	-55.1	-36.2	170.3	-171.3	64.7	0	0	0	110.9	L469 C797 I798 V839 L841 V858 D859 F860 L865 L934 Y936	L469-L794 HydrophobicContact CD1-CD1 3.8Å; L794-C797 WeakPolarHBondContact O-CB 3.49Å; L794-C797 PolarHBondContact O-N 3.38Å; L794-C797 VanDerWaalsContact O-N 3.14Å; L794-I798 HydrophobicContact CG-CD1 4.2Å; L794-I798 WeakPolarHBondContact O-CG1 3.44Å; L794-I798 PolarHBondContact O-N 3.01Å; L794-V839 HydrophobicContact CD1-CG1 4.16Å; L794-L841 HydrophobicContact CD1-CD2 3.86Å; L794-V858 HydrophobicContact CB-CG1 4.46Å; L794-V858 HydrophobicContact CD1-CG1 4.33Å; L794-D859 WeakPolarHBondContact CB-O 3.37Å; L794-D859 PolarHBondContact N-O 2.99Å; L794-F860 HydrophobicContact CB-CB 4.22Å; L794-F860 HydrophobicContact CD2-CB 4.03Å; L794-L865 HydrophobicContact CD2-CD1 4.32Å; L794-L865 HydrophobicContact CD2-CD2 3.85Å; L794-L934 HydrophobicContact CD1-CD1 4.04Å; L794-L934 HydrophobicContact CD2-CD1 4.2Å; L794-Y936 HydrophobicContact CD2-CE2 4.04Å
795	K	92.8	Very high	81	Confident	57 Å²	57	81.9 Å²	81.9	25%	0.248	39%	0.392	C	S	.	.	H	α-helix	trans	-56.7	-48.4	173.1	-66.1	-166.2	162	-152.1	0	112.4	K793 C797 I798 E799 D866 E869 F870	K793-K795 HydrophobicContact CB-CB 4.42Å; K793-K795 PolarHBondContact O-N 2.82Å; K795-C797 PolarHBondContact O-N 2.82Å; K795-I798 PolarHBondContact O-N 2.86Å; K795-E799 PolarHBondContact O-N 2.96Å; K795-D866 PolarHBondContact NZ-O 2.98Å; K795-E869 WeakPolarHBondContact CD-OE1 3.32Å; K795-E869 WeakPolarHBondContact CE-OE1 3.44Å; K795-E869 IonicContact NZ-OE1 3.33Å; K795-E869 PolarHBondContact NZ-OE1 3.29Å; K795-E869 IonicContact NZ-OE2 3.91Å; K795-E869 PolarHBondContact NZ-OE2 2.83Å; K795-F870 HydrophobicContact CB-CZ 3.93Å; K795-F870 HydrophobicContact CD-CE2 4.48Å; K795-F870 HydrophobicContact CD-CZ 4.25Å; K795-F870 HydrophobicContact CG-CE2 4.13Å; K795-F870 HydrophobicContact CG-CZ 3.89Å
796	D	91.8	Very high	82.5	Confident	59 Å²	59	79.1 Å²	79.1	32%	0.316	38%	0.38	S	S	.	.	H	α-helix	trans	-55.2	-36.3	174.9	-42.6	-7.7	0	0	0	112.5	F792 K793 L800	F792-D796 WeakPolarHBondContact CA-OD2 3.38Å; F792-D796 HydrophobicContact CB-CB 4.49Å; K793-D796 WeakPolarHBondContact CB-OD1 3.44Å; K793-D796 VanDerWaalsContact N-CG 3.32Å; K793-D796 PolarHBondContact N-OD2 3.17Å; K793-D796 WeakPolarHBondContact O-CB 3.36Å; K793-D796 PolarHBondContact O-N 2.96Å; K793-D796 VanDerWaalsContact O-N 3.08Å; D796-L800 WeakPolarHBondContact O-CB 3.35Å; D796-L800 PolarHBondContact O-N 2.8Å; D796-L800 VanDerWaalsContact O-N 3.09Å
797	C	93.7	Very high	84.2	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-75.7	-30.5	177.6	-62.9	0	0	0	0	112.7	L469 K793 L794 K795 F801	L469-C797 HydrophobicContact CB-CB 4.08Å; L469-C797 HydrophobicContact CD1-CB 4.02Å; K793-C797 PolarHBondContact O-N 3.18Å; L794-C797 WeakPolarHBondContact O-CB 3.49Å; L794-C797 PolarHBondContact O-N 3.38Å; L794-C797 VanDerWaalsContact O-N 3.14Å; K795-C797 PolarHBondContact O-N 2.82Å; C797-F801 WeakPolarHBondContact O-CB 3.38Å; C797-F801 PolarHBondContact O-N 3.2Å; C797-F801 VanDerWaalsContact O-N 3.09Å
798	I	93.7	Very high	85.5	Confident	4 Å²	4	70.1 Å²	70.1	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-73.4	-43.9	173.9	-62.6	159.4	0	0	0	110.2	L469 L794 K795 L800 F801 T802 L830 M867 F870	L469-I798 HydrophobicContact CD1-CG1 3.7Å; L469-I798 HydrophobicContact CD2-CG1 4.23Å; L794-I798 HydrophobicContact CG-CD1 4.2Å; L794-I798 WeakPolarHBondContact O-CG1 3.44Å; L794-I798 PolarHBondContact O-N 3.01Å; K795-I798 PolarHBondContact O-N 2.86Å; I798-L800 VanDerWaalsContact C-N 3.28Å; I798-L800 PolarHBondContact O-N 2.86Å; I798-F801 WeakPolarHBondContact O-CB 3.41Å; I798-F801 PolarHBondContact O-N 2.87Å; I798-F801 VanDerWaalsContact O-N 3.08Å; I798-T802 PolarHBondContact O-N 2.99Å; I798-T802 PolarHBondContact O-OG1 2.66Å; I798-L830 HydrophobicContact CG2-CD1 4.36Å; I798-M867 HydrophobicContact CD1-CE 4.01Å; I798-M867 HydrophobicContact CD1-SD 3.75Å; I798-F870 HydrophobicContact CB-CD1 4.46Å; I798-F870 HydrophobicContact CB-CE1 4.27Å; I798-F870 HydrophobicContact CB-CE2 4.35Å; I798-F870 HydrophobicContact CB-CZ 4.21Å; I798-F870 HydrophobicContact CD1-CD2 4.3Å; I798-F870 HydrophobicContact CD1-CE2 3.93Å; I798-F870 HydrophobicContact CD1-CZ 4.44Å; I798-F870 HydrophobicContact CG2-CB 4.14Å; I798-F870 HydrophobicContact CG2-CD1 3.64Å; I798-F870 HydrophobicContact CG2-CD2 3.8Å; I798-F870 HydrophobicContact CG2-CE1 3.93Å; I798-F870 HydrophobicContact CG2-CE2 4.08Å; I798-F870 HydrophobicContact CG2-CG 3.57Å; I798-F870 HydrophobicContact CG2-CZ 4.15Å
799	E	92.4	Very high	86.9	Confident	109 Å²	109	64 Å²	64	51%	0.509	33%	0.325	S	S	.	.	H	α-helix	trans	-57.7	-40.9	171.8	-70.1	-178.7	-165.4	0	0	111.7	K795 F801 T802 T803 F870	K795-E799 PolarHBondContact O-N 2.96Å; E799-F801 VanDerWaalsContact C-N 3.32Å; E799-F801 PolarHBondContact O-N 2.97Å; E799-T802 PolarHBondContact O-N 3.28Å; E799-T802 PolarHBondContact O-OG1 3.5Å; E799-T803 WeakPolarHBondContact O-CB 3.11Å; E799-T803 PolarHBondContact O-N 2.62Å; E799-T803 PolarHBondContact O-OG1 2.9Å; E799-F870 HydrophobicContact CG-CE1 3.96Å
800	L	91.4	Very high	88.2	Confident	69 Å²	69	64.5 Å²	64.5	36%	0.361	33%	0.33	S	S	.	.	H	α-helix	trans	-69.1	-29.5	176.4	-171.4	61.3	0	0	0	112.7	P470 P472 D796 I798	P470-L800 HydrophobicContact CB-CD2 4.1Å; P470-L800 HydrophobicContact CB-CG 4.39Å; P470-L800 HydrophobicContact CG-CB 4.17Å; P470-L800 HydrophobicContact CG-CD2 3.98Å; P470-L800 HydrophobicContact CG-CG 3.77Å; P472-L800 HydrophobicContact CB-CD2 4.42Å; P472-L800 HydrophobicContact CG-CD2 4.1Å; D796-L800 WeakPolarHBondContact O-CB 3.35Å; D796-L800 PolarHBondContact O-N 2.8Å; D796-L800 VanDerWaalsContact O-N 3.09Å; I798-L800 VanDerWaalsContact C-N 3.28Å; I798-L800 PolarHBondContact O-N 2.86Å
801	F	93.1	Very high	89.4	Confident	36 Å²	36	68.7 Å²	68.7	16%	0.158	35%	0.349	C	S	.	.	H	α-helix	trans	-72.3	-39.2	173.6	178.7	-97	0	0	0	112.6	L467 T468 L469 C797 I798 E799 T803 L828 L830	L467-F801 HydrophobicContact CD2-CE1 4.03Å; L467-F801 HydrophobicContact CD2-CZ 4.03Å; T468-F801 WeakPolarHBondContact O-CD2 3.39Å; L469-F801 HydrophobicContact CD2-CB 3.67Å; L469-F801 HydrophobicContact CD2-CD1 4.35Å; L469-F801 HydrophobicContact CD2-CD2 4.1Å; L469-F801 HydrophobicContact CD2-CG 3.8Å; C797-F801 WeakPolarHBondContact O-CB 3.38Å; C797-F801 PolarHBondContact O-N 3.2Å; C797-F801 VanDerWaalsContact O-N 3.09Å; I798-F801 WeakPolarHBondContact O-CB 3.41Å; I798-F801 PolarHBondContact O-N 2.87Å; I798-F801 VanDerWaalsContact O-N 3.08Å; E799-F801 VanDerWaalsContact C-N 3.32Å; E799-F801 PolarHBondContact O-N 2.97Å; F801-T803 VanDerWaalsContact C-N 3.33Å; F801-L828 HydrophobicContact CE1-CB 4.21Å; F801-L828 HydrophobicContact CE1-CD1 4.01Å; F801-L828 HydrophobicContact CE2-CD1 3.96Å; F801-L828 HydrophobicContact CZ-CD1 3.52Å; F801-L830 HydrophobicContact CE1-CD2 4.3Å
802	T	93.2	Very high	90.1	Very high	24 Å²	24	65.8 Å²	65.8	15%	0.147	34%	0.341	C	S	.	.	H	α-helix	trans	-84.5	-6.6	177.5	58.5	0	0	0	0	113.6	I798 E799 K827 L828 L830	I798-T802 PolarHBondContact O-N 2.99Å; I798-T802 PolarHBondContact O-OG1 2.66Å; E799-T802 PolarHBondContact O-N 3.28Å; E799-T802 PolarHBondContact O-OG1 3.5Å; T802-K827 WeakPolarHBondContact O-CE 3.14Å; T802-K827 VanDerWaalsContact O-CG 3.28Å; T802-K827 WeakPolarHBondContact O-CG 3.46Å; T802-L828 VanDerWaalsContact CA-O 3.23Å; T802-L828 WeakPolarHBondContact CA-O 3.21Å; T802-L828 WeakPolarHBondContact CB-O 3.22Å; T802-L830 HydrophobicContact CG2-CG 4.49Å
803	T	92.8	Very high	90.4	Very high	76 Å²	76	66.5 Å²	66.5	47%	0.466	34%	0.343	S	S	.	.	S	Bend	trans	-65.8	140	174.2	-72.5	0	0	0	0	111.8	E799 F801 E805	E799-T803 WeakPolarHBondContact O-CB 3.11Å; E799-T803 PolarHBondContact O-N 2.62Å; E799-T803 PolarHBondContact O-OG1 2.9Å; F801-T803 VanDerWaalsContact C-N 3.33Å; T803-E805 PolarHBondContact O-N 2.59Å
804	K	91.5	Very high	90.5	Very high	121 Å²	121	66.8 Å²	66.8	53%	0.526	34%	0.342	S	S	.	.			trans	-67.7	111.8	177.2	-179.1	-178.8	178.7	177	0	111.5	T825 K826 K827	K804-T825 WeakPolarHBondContact CE-OG1 3.41Å; K804-T825 PolarHBondContact NZ-OG1 2.57Å; K804-K826 CarbonylContact C-O 3.47Å; K804-K826 WeakPolarHBondContact CA-O 3.4Å; K804-K827 HydrophobicContact CB-CB 4.23Å; K804-K827 HydrophobicContact CB-CD 4.49Å; K804-K827 HydrophobicContact CB-CG 4.28Å; K804-K827 HydrophobicContact CG-CB 4.42Å
805	E	90.9	Very high	90.6	Very high	107 Å²	107	66.7 Å²	66.7	50%	0.5	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	173.3	175.5	66.6	172.7	174.5	0	0	113	T803 T825 K826	T803-E805 PolarHBondContact O-N 2.59Å; E805-T825 CarbonylContact O-C 3.52Å; E805-T825 WeakPolarHBondContact O-CA 3.5Å; E805-T825 VanDerWaalsContact O-CB 3.26Å; E805-T825 WeakPolarHBondContact O-CB 3.27Å; E805-K826 HydrophobicContact CG-CB 4.18Å; E805-K826 PolarHBondContact N-O 3.38Å; E805-K826 PolarHBondContact O-N 2.91Å
806	K	90	Very high	90.5	Very high	126 Å²	126	67 Å²	67	55%	0.548	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.7	169.4	-175.6	-171.4	165.4	-169.6	0	109	Q823 T825	K806-Q823 VanDerWaalsContact CE-CB 3.43Å; K806-T825 HydrophobicContact CB-CG2 4.28Å; K806-T825 HydrophobicContact CG-CG2 4.39Å
807	L	88.2	Confident	90.6	Very high	15 Å²	15	69.3 Å²	69.3	8%	0.079	36%	0.361	C	S	.	.			trans	-59.6	146	178.7	-66.6	179.5	0	0	0	112.5	L449 D811 W813 A824 K826	L449-L807 HydrophobicContact CD2-CD1 4.08Å; L807-D811 WeakPolarHBondContact CB-O 3.47Å; L807-W813 HydrophobicContact CD1-CB 3.77Å; L807-A824 WeakPolarHBondContact CB-O 3.32Å; L807-A824 HydrophobicContact CD1-CB 4.07Å; L807-A824 WeakPolarHBondContact CG-O 3.34Å; L807-A824 PolarHBondContact N-O 2.85Å; L807-K826 HydrophobicContact CD2-CB 4.08Å; L807-K826 HydrophobicContact CD2-CD 4.13Å; L807-K826 HydrophobicContact CG-CB 4.32Å
808	G	82.7	Confident	90.6	Very high	40 Å²	40	71.1 Å²	71.1	41%	0.412	37%	0.373	S	S	.	.			trans	-69.1	174.8	-179.1	0	0	0	0	0	113.8	E810	G808-E810 VanDerWaalsContact C-N 3.31Å
809	A	81	Confident	90.6	Very high	68 Å²	68	78.5 Å²	78.5	56%	0.562	41%	0.405	S	S	*	.	S	Bend	trans	-69.7	-30.9	171.2	0	0	0	0	0	112.6
810	E	80.9	Confident	90.7	Very high	177 Å²	177	79 Å²	79	83%	0.827	41%	0.408	S	S	*	.	S	Bend	trans	-84.4	-16.2	-176.8	-44.1	-59.5	157.8	0	0	113.4	G808 P812	G808-E810 VanDerWaalsContact C-N 3.31Å; E810-P812 VanDerWaalsContact C-CD 3.47Å
811	D	87.3	Confident	90.8	Very high	110 Å²	110	81.2 Å²	81.2	59%	0.588	42%	0.416	S	S	*	.	S	Bend	trans	-129.4	66.4	178.2	-177.1	29.1	0	0	0	112.4	L807	L807-D811 WeakPolarHBondContact CB-O 3.47Å
812	P	92	Very high	90.8	Very high	41 Å²	41	80.9 Å²	80.9	27%	0.266	42%	0.415	S	S	.	.			trans	-90.4	129	-177.7	35.1	-34.4	0	0	0	112.8	E810 H821 Q822	E810-P812 VanDerWaalsContact C-CD 3.47Å; P812-H821 HydrophobicContact CB-CB 3.97Å; P812-H821 HydrophobicContact CG-CB 3.83Å; P812-H821 PolarHBondContact O-CD2 3.11Å; P812-H821 VanDerWaalsContact O-CD2 3.29Å; P812-Q822 CarbonylContact C-O 3.59Å
813	W	93.8	Very high	90.8	Very high	48 Å²	48	82.9 Å²	82.9	18%	0.182	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	135	178.5	171.7	74.8	0	0	0	113.5	L449 C451 L807 C815 H821 Q822 A824	L449-W813 HydrophobicContact CD1-CG 4.25Å; L449-W813 HydrophobicContact CD2-CB 4.47Å; L449-W813 HydrophobicContact CD2-CG 4.43Å; C451-W813 HydrophobicContact CB-CZ3 4.01Å; L807-W813 HydrophobicContact CD1-CB 3.77Å; W813-C815 HydrophobicContact CE3-CB 3.84Å; W813-C815 HydrophobicContact CH2-CB 4.08Å; W813-C815 HydrophobicContact CZ3-CB 3.44Å; W813-C815 VanDerWaalsContact CZ3-CB 3.44Å; W813-C815 PolarHBondContact O-N 2.65Å; W813-H821 CarbonylContact O-C 3.57Å; W813-H821 WeakPolarHBondContact O-CA 3.34Å; W813-Q822 PolarHBondContact N-O 3.4Å; W813-Q822 PolarHBondContact O-N 2.88Å; W813-A824 HydrophobicContact CB-CB 3.98Å; W813-A824 HydrophobicContact CD2-CB 4.4Å; W813-A824 HydrophobicContact CE3-CB 3.92Å; W813-A824 HydrophobicContact CG-CB 4.48Å
814	Y	94.2	Very high	90.8	Very high	113 Å²	113	79.3 Å²	79.3	44%	0.443	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	109.6	173.8	-174.8	-96.1	0	0	0	111.7	P816 K819 H821	Y814-P816 WeakPolarHBondContact O-CD 3.29Å; Y814-K819 WeakPolarHBondContact CE2-O 3.45Å; Y814-K819 VanDerWaalsContact OH-CA 3.3Å; Y814-K819 WeakPolarHBondContact OH-CA 3.41Å; Y814-K819 PolarHBondContact OH-O 2.68Å; Y814-H821 AromaticContact CD2-NE2 3.77Å
815	C	94.4	Very high	91	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	116.8	176.8	-177.7	0	0	0	0	111.1	C454 W813 N817 C818 K819 Q820 Q822	C454-C815 VanDerWaalsContact SG-SG 3.61Å; W813-C815 HydrophobicContact CE3-CB 3.84Å; W813-C815 HydrophobicContact CH2-CB 4.08Å; W813-C815 HydrophobicContact CZ3-CB 3.44Å; W813-C815 VanDerWaalsContact CZ3-CB 3.44Å; W813-C815 PolarHBondContact O-N 2.65Å; C815-N817 VanDerWaalsContact C-N 3.28Å; C815-N817 PolarHBondContact O-N 2.72Å; C815-C818 HydrophobicContact CB-CB 4.03Å; C815-C818 PolarHBondContact O-N 3.15Å; C815-K819 WeakPolarHBondContact O-CA 3.47Å; C815-K819 PolarHBondContact O-N 2.85Å; C815-Q820 PolarHBondContact N-O 2.77Å; C815-Q822 HydrophobicContact CB-CG 4.1Å
816	P	91.8	Very high	91.2	Very high	64 Å²	64	72.9 Å²	72.9	42%	0.416	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-28.3	-178.2	26.4	-34.7	0	0	0	113.2	K456 Y814 K819	K456-P816 HydrophobicContact CD-CG 4.25Å; Y814-P816 WeakPolarHBondContact O-CD 3.29Å; P816-K819 WeakPolarHBondContact O-CG 3.16Å
817	N	93.1	Very high	91.4	Very high	108 Å²	108	70.2 Å²	70.2	58%	0.578	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-41	177	-71.2	23.7	0	0	0	112	K456 C815	K456-N817 WeakPolarHBondContact CD-OD1 3.35Å; C815-N817 VanDerWaalsContact C-N 3.28Å; C815-N817 PolarHBondContact O-N 2.72Å
818	C	93.3	Very high	91.8	Very high	37 Å²	37	70.2 Å²	70.2	25%	0.25	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-15.8	177.8	-57.5	0	0	0	0	112.9	C815 Q820	C815-C818 HydrophobicContact CB-CB 4.03Å; C815-C818 PolarHBondContact O-N 3.15Å; C818-Q820 PolarHBondContact O-N 2.73Å
819	K	94.5	Very high	92.4	Very high	159 Å²	159	69.2 Å²	69.2	69%	0.691	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	30.3	-172.9	-59.4	-175.3	178.8	-177.7	0	114.2	Y814 C815 P816	Y814-K819 WeakPolarHBondContact CE2-O 3.45Å; Y814-K819 VanDerWaalsContact OH-CA 3.3Å; Y814-K819 WeakPolarHBondContact OH-CA 3.41Å; Y814-K819 PolarHBondContact OH-O 2.68Å; C815-K819 WeakPolarHBondContact O-CA 3.47Å; C815-K819 PolarHBondContact O-N 2.85Å; P816-K819 WeakPolarHBondContact O-CG 3.16Å
820	Q	94.1	Very high	93.1	Very high	121 Å²	121	66 Å²	66	57%	0.565	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.4	149.8	-174.6	-167.3	-175.5	7.7	0	0	109.7	C815 C818	C815-Q820 PolarHBondContact N-O 2.77Å; C818-Q820 PolarHBondContact O-N 2.73Å
821	H	94.8	Very high	93.8	Very high	114 Å²	114	58.6 Å²	58.6	53%	0.528	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	137	167.4	-62.2	106.8	0	0	0	111.2	P812 W813 Y814	P812-H821 HydrophobicContact CB-CB 3.97Å; P812-H821 HydrophobicContact CG-CB 3.83Å; P812-H821 PolarHBondContact O-CD2 3.11Å; P812-H821 VanDerWaalsContact O-CD2 3.29Å; W813-H821 CarbonylContact O-C 3.57Å; W813-H821 WeakPolarHBondContact O-CA 3.34Å; Y814-H821 AromaticContact CD2-NE2 3.77Å
822	Q	92.7	Very high	94.2	Very high	29 Å²	29	55.1 Å²	55.1	14%	0.136	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	146.4	-175.1	-64.4	-63	-24.2	0	0	110.1	P452 P812 W813 C815 A824	P452-Q822 HydrophobicContact CG-CB 4.49Å; P812-Q822 CarbonylContact C-O 3.59Å; W813-Q822 PolarHBondContact N-O 3.4Å; W813-Q822 PolarHBondContact O-N 2.88Å; C815-Q822 HydrophobicContact CB-CG 4.1Å; Q822-A824 PolarHBondContact O-N 3.11Å
823	Q	93.2	Very high	94.3	Very high	67 Å²	67	53.7 Å²	53.7	31%	0.313	26%	0.26	S	S	.	.			trans	-74.1	73.4	168.6	-66.6	-175.5	-31.3	0	0	110.3	K806	K806-Q823 VanDerWaalsContact CE-CB 3.43Å
824	A	93.4	Very high	94.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-60.3	155.6	175	0	0	0	0	0	111.4	L449 V450 L807 W813 Q822	L449-A824 HydrophobicContact CD2-CB 4.09Å; V450-A824 WeakPolarHBondContact O-CA 3.39Å; V450-A824 WeakPolarHBondContact O-CB 3.28Å; L807-A824 WeakPolarHBondContact CB-O 3.32Å; L807-A824 HydrophobicContact CD1-CB 4.07Å; L807-A824 WeakPolarHBondContact CG-O 3.34Å; L807-A824 PolarHBondContact N-O 2.85Å; W813-A824 HydrophobicContact CB-CB 3.98Å; W813-A824 HydrophobicContact CD2-CB 4.4Å; W813-A824 HydrophobicContact CE3-CB 3.92Å; W813-A824 HydrophobicContact CG-CB 4.48Å; Q822-A824 PolarHBondContact O-N 3.11Å
825	T	94.9	Very high	94.3	Very high	37 Å²	37	46.3 Å²	46.3	23%	0.227	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	128.1	161.5	57.6	0	0	0	0	109	L449 V450 K804 E805 K806	L449-T825 WeakPolarHBondContact CA-O 3.28Å; V450-T825 PolarHBondContact N-O 3.47Å; V450-T825 PolarHBondContact O-N 2.98Å; V450-T825 VanDerWaalsContact O-N 3.08Å; K804-T825 WeakPolarHBondContact CE-OG1 3.41Å; K804-T825 PolarHBondContact NZ-OG1 2.57Å; E805-T825 CarbonylContact O-C 3.52Å; E805-T825 WeakPolarHBondContact O-CA 3.5Å; E805-T825 VanDerWaalsContact O-CB 3.26Å; E805-T825 WeakPolarHBondContact O-CB 3.27Å; K806-T825 HydrophobicContact CB-CG2 4.28Å; K806-T825 HydrophobicContact CG-CG2 4.39Å
826	K	94.5	Very high	94.4	Very high	57 Å²	57	46.3 Å²	46.3	25%	0.248	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	142.5	177	-174.4	179.8	175.7	-173.6	0	108.7	T448 L449 K804 E805 L807	T448-K826 CarbonylContact O-C 3.49Å; T448-K826 WeakPolarHBondContact O-CA 3.35Å; L449-K826 HydrophobicContact CD2-CB 3.81Å; L449-K826 HydrophobicContact CD2-CG 3.99Å; K804-K826 CarbonylContact C-O 3.47Å; K804-K826 WeakPolarHBondContact CA-O 3.4Å; E805-K826 HydrophobicContact CG-CB 4.18Å; E805-K826 PolarHBondContact N-O 3.38Å; E805-K826 PolarHBondContact O-N 2.91Å; L807-K826 HydrophobicContact CD2-CB 4.08Å; L807-K826 HydrophobicContact CD2-CD 4.13Å; L807-K826 HydrophobicContact CG-CB 4.32Å
827	K	95.6	Very high	94.7	Very high	69 Å²	69	43.3 Å²	43.3	30%	0.3	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	141.1	164.6	-169.4	-173.6	176.1	-130.2	0	107.5	T448 T802 K804 D829	T448-K827 PolarHBondContact N-O 3.31Å; T448-K827 PolarHBondContact O-N 3.02Å; T802-K827 WeakPolarHBondContact O-CE 3.14Å; T802-K827 VanDerWaalsContact O-CG 3.28Å; T802-K827 WeakPolarHBondContact O-CG 3.46Å; K804-K827 HydrophobicContact CB-CB 4.23Å; K804-K827 HydrophobicContact CB-CD 4.49Å; K804-K827 HydrophobicContact CB-CG 4.28Å; K804-K827 HydrophobicContact CG-CB 4.42Å; K827-D829 WeakPolarHBondContact CE-OD1 3.46Å; K827-D829 WeakPolarHBondContact CE-OD2 3.49Å; K827-D829 IonicContact NZ-OD1 2.73Å; K827-D829 PolarHBondContact NZ-OD1 3.32Å; K827-D829 IonicContact NZ-OD2 2.99Å; K827-D829 PolarHBondContact NZ-OD2 3.13Å
828	L	95.6	Very high	94.9	Very high	16 Å²	16	38.2 Å²	38.2	8%	0.084	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	138.9	169.8	-63.4	-179.2	0	0	0	108.4	F445 F801 T802	F445-L828 HydrophobicContact CD2-CD2 3.63Å; F445-L828 HydrophobicContact CE2-CD2 3.71Å; F445-L828 HydrophobicContact CG-CD2 4.38Å; F801-L828 HydrophobicContact CE1-CB 4.21Å; F801-L828 HydrophobicContact CE1-CD1 4.01Å; F801-L828 HydrophobicContact CE2-CD1 3.96Å; F801-L828 HydrophobicContact CZ-CD1 3.52Å; T802-L828 VanDerWaalsContact CA-O 3.23Å; T802-L828 WeakPolarHBondContact CA-O 3.21Å; T802-L828 WeakPolarHBondContact CB-O 3.22Å
829	D	95.8	Very high	95.2	Very high	18 Å²	18	36.6 Å²	36.6	10%	0.096	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.7	172.2	-74.5	-69.7	0	0	0	108.8	F445 K446 K827 I872	F445-D829 CarbonylContact C-O 3.47Å; F445-D829 VanDerWaalsContact CA-O 3.32Å; F445-D829 WeakPolarHBondContact CA-O 3.28Å; F445-D829 WeakPolarHBondContact CB-O 3.34Å; K446-D829 HydrophobicContact CB-CB 4.23Å; K446-D829 PolarHBondContact N-O 3.25Å; K446-D829 PolarHBondContact O-N 2.85Å; K827-D829 WeakPolarHBondContact CE-OD1 3.46Å; K827-D829 WeakPolarHBondContact CE-OD2 3.49Å; K827-D829 IonicContact NZ-OD1 2.73Å; K827-D829 PolarHBondContact NZ-OD1 3.32Å; K827-D829 IonicContact NZ-OD2 2.99Å; K827-D829 PolarHBondContact NZ-OD2 3.13Å; D829-I872 HydrophobicContact CB-CD1 3.59Å; D829-I872 HydrophobicContact CB-CG1 3.89Å; D829-I872 HydrophobicContact CB-CG2 3.92Å
830	L	96.1	Very high	95.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	126	-178.7	-58.3	171.6	0	0	0	109.2	F464 L467 I798 F801 T802 L833 M867 F870 L871 I872	F464-L830 HydrophobicContact CE1-CD2 4.49Å; L467-L830 HydrophobicContact CD1-CD1 4.44Å; L467-L830 HydrophobicContact CD1-CD2 4.22Å; L467-L830 HydrophobicContact CD2-CD2 4Å; I798-L830 HydrophobicContact CG2-CD1 4.36Å; F801-L830 HydrophobicContact CE1-CD2 4.3Å; T802-L830 HydrophobicContact CG2-CG 4.49Å; L830-L833 HydrophobicContact CB-CD2 4.17Å; L830-L833 HydrophobicContact CD1-CD2 4.15Å; L830-L833 HydrophobicContact CD2-CD2 4.22Å; L830-L833 HydrophobicContact CG-CD2 4.4Å; L830-M867 HydrophobicContact CD1-CE 4.02Å; L830-F870 HydrophobicContact CD1-CB 4Å; L830-L871 HydrophobicContact CB-CD2 4.36Å; L830-L871 WeakPolarHBondContact O-CA 3.44Å; L830-I872 VanDerWaalsContact O-CG1 3.28Å; L830-I872 WeakPolarHBondContact O-CG1 3.46Å; L830-I872 PolarHBondContact O-N 2.8Å
831	W	95.5	Very high	95.4	Very high	23 Å²	23	23.7 Å²	23.7	9%	0.087	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-41.3	-177.8	-179.4	-87.8	0	0	0	112.9	D418 K419 A422 L444 F461 L871 I872 N873	D418-W831 HydrophobicContact CB-CH2 3.93Å; D418-W831 HydrophobicContact CB-CZ3 3.71Å; K419-W831 HydrophobicContact CB-CH2 4.31Å; K419-W831 HydrophobicContact CB-CZ2 4.2Å; A422-W831 HydrophobicContact CB-CD2 4.04Å; A422-W831 HydrophobicContact CB-CG 4.19Å; A422-W831 HydrophobicContact CB-CZ2 4.06Å; A422-W831 VanDerWaalsContact CB-NE1 3.32Å; L444-W831 HydrophobicContact CD2-CG 4.42Å; L444-W831 WeakPolarHBondContact O-CB 3.28Å; L444-W831 PolarHBondContact O-N 3.33Å; F461-W831 HydrophobicContact CD1-CB 4.16Å; F461-W831 HydrophobicContact CD1-CD2 4.33Å; F461-W831 HydrophobicContact CD1-CG 4.05Å; F461-W831 HydrophobicContact CE1-CB 4.01Å; F461-W831 AromaticContact CE1-CD2 3.6Å; F461-W831 HydrophobicContact CE1-CD2 3.6Å; F461-W831 AromaticContact CE1-CE3 3.61Å; F461-W831 HydrophobicContact CE1-CE3 3.61Å; F461-W831 AromaticContact CE1-CG 3.75Å; F461-W831 HydrophobicContact CE1-CG 3.75Å; F461-W831 HydrophobicContact CE1-CZ3 4.41Å; F461-W831 HydrophobicContact CZ-CD2 4.43Å; F461-W831 HydrophobicContact CZ-CE3 4.13Å; W831-L871 VanDerWaalsContact C-CD2 3.46Å; W831-L871 WeakPolarHBondContact O-CD2 3.38Å; W831-I872 HydrophobicContact CE3-CD1 3.87Å; W831-I872 HydrophobicContact CE3-CG1 3.91Å; W831-I872 HydrophobicContact CZ3-CD1 4.35Å; W831-I872 HydrophobicContact CZ3-CG1 4.49Å; W831-N873 HydrophobicContact CD2-CB 3.8Å; W831-N873 HydrophobicContact CE3-CB 3.92Å; W831-N873 HydrophobicContact CG-CB 4.37Å; W831-N873 HydrophobicContact CH2-CB 4Å; W831-N873 HydrophobicContact CZ2-CB 3.88Å; W831-N873 HydrophobicContact CZ3-CB 4.02Å; W831-N873 VanDerWaalsContact O-CB 3.25Å; W831-N873 WeakPolarHBondContact O-CB 3.44Å
832	S	94.1	Very high	95.2	Very high	37 Å²	37	23.9 Å²	23.9	26%	0.259	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	150.3	169.8	60.6	0	0	0	0	110	G443 L444	G443-S832 WeakPolarHBondContact CA-O 3.3Å; L444-S832 VanDerWaalsContact CB-OG 3.27Å; L444-S832 WeakPolarHBondContact CB-OG 3.33Å; L444-S832 PolarHBondContact N-O 3.29Å; L444-S832 PolarHBondContact N-OG 2.66Å; L444-S832 PolarHBondContact O-N 3.03Å; L444-S832 VanDerWaalsContact O-N 3.15Å
833	L	94.9	Very high	95	Very high	10 Å²	10	22.5 Å²	22.5	5%	0.052	11%	0.109	C	C	.	.			trans	-120.6	142.2	-178.4	-57.3	178.4	0	0	0	111	F464 L830 M867 L871 Y881 R938	F464-L833 HydrophobicContact CZ-CD2 3.84Å; L830-L833 HydrophobicContact CB-CD2 4.17Å; L830-L833 HydrophobicContact CD1-CD2 4.15Å; L830-L833 HydrophobicContact CD2-CD2 4.22Å; L830-L833 HydrophobicContact CG-CD2 4.4Å; L833-M867 HydrophobicContact CD1-CB 3.52Å; L833-M867 HydrophobicContact CD1-CE 3.92Å; L833-M867 HydrophobicContact CD1-CG 4.05Å; L833-L871 HydrophobicContact CD1-CD1 4.08Å; L833-L871 HydrophobicContact CD1-CG 4.28Å; L833-L871 HydrophobicContact CG-CD1 4.29Å; L833-L871 HydrophobicContact CG-CD2 4.13Å; L833-L871 HydrophobicContact CG-CG 4.35Å; L833-Y881 WeakPolarHBondContact CB-OH 3.25Å; L833-Y881 HydrophobicContact CD1-CE2 4.09Å; L833-R938 PolarHBondContact O-NH1 2.86Å; L833-R938 VanDerWaalsContact O-NH1 3.13Å
834	P	94.9	Very high	94.5	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.019	10%	0.098	C	C	.	.			trans	-72.3	163.1	-176.4	32.1	-38.9	0	0	0	113.1	F441 V836 L837 Y881	F441-P834 VanDerWaalsContact O-CB 3.27Å; F441-P834 WeakPolarHBondContact O-CB 3.45Å; F441-P834 WeakPolarHBondContact O-CG 3.46Å; P834-V836 VanDerWaalsContact C-N 3.27Å; P834-V836 VanDerWaalsContact CG-O 3.29Å; P834-V836 WeakPolarHBondContact CG-O 3.36Å; P834-V836 PolarHBondContact O-N 2.89Å; P834-L837 HydrophobicContact CG-CB 4.36Å; P834-L837 HydrophobicContact CG-CD1 4.22Å; P834-Y881 WeakPolarHBondContact O-CE1 3.25Å; P834-Y881 PolarHBondContact O-OH 3.02Å
835	P	93.8	Very high	93.3	Very high	4 Å²	4	22.2 Å²	22.2	3%	0.026	11%	0.112	C	C	.	.	S	Bend	trans	-51.6	-43.3	166.1	-29.3	37.6	0	0	0	113.2	D439 I440 Q937 R938 T941 Y947 F948	D439-P835 WeakPolarHBondContact O-CG 3.49Å; I440-P835 WeakPolarHBondContact O-CD 3.38Å; P835-Q937 CarbonylContact O-C 3.52Å; P835-Q937 WeakPolarHBondContact O-CA 3.29Å; P835-R938 PolarHBondContact O-N 2.9Å; P835-T941 HydrophobicContact CB-CG2 4Å; P835-T941 HydrophobicContact CG-CG2 4.17Å; P835-Y947 HydrophobicContact CB-CE1 4.39Å; P835-Y947 HydrophobicContact CG-CD1 4.33Å; P835-Y947 HydrophobicContact CG-CE1 3.42Å; P835-Y947 VanDerWaalsContact CG-CE1 3.42Å; P835-F948 HydrophobicContact CB-CE1 4.48Å; P835-F948 HydrophobicContact CB-CZ 3.73Å; P835-F948 HydrophobicContact CG-CE1 4.35Å; P835-F948 HydrophobicContact CG-CZ 4.04Å
836	V	96.4	Very high	91.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	106.2	175.2	-178.5	0	0	0	0	110.6	I313 I440 F441 P834 Y936 Q937	I313-V836 HydrophobicContact CD1-CG1 4.21Å; I313-V836 HydrophobicContact CG2-CG1 4.46Å; I313-V836 HydrophobicContact CG2-CG2 3.85Å; I440-V836 HydrophobicContact CG2-CB 3.73Å; I440-V836 HydrophobicContact CG2-CG2 3.51Å; I440-V836 PolarHBondContact O-N 2.85Å; F441-V836 HydrophobicContact CD1-CB 4.06Å; F441-V836 HydrophobicContact CD1-CG1 4.01Å; F441-V836 HydrophobicContact CE1-CB 4.04Å; F441-V836 HydrophobicContact CE1-CG1 3.67Å; P834-V836 VanDerWaalsContact C-N 3.27Å; P834-V836 VanDerWaalsContact CG-O 3.29Å; P834-V836 WeakPolarHBondContact CG-O 3.36Å; P834-V836 PolarHBondContact O-N 2.89Å; V836-Y936 CarbonylContact C-O 3.54Å; V836-Y936 VanDerWaalsContact CA-O 3.27Å; V836-Y936 WeakPolarHBondContact CA-O 3.24Å; V836-Q937 VanDerWaalsContact CG2-OE1 3.27Å
837	L	97.3	Very high	89.4	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	110.2	178	-177.6	62.9	0	0	0	110.5	F464 L467 P834 V839 M867 Y881 Y936	F464-L837 HydrophobicContact CE2-CD1 4.05Å; L467-L837 HydrophobicContact CD1-CD1 3.94Å; L467-L837 HydrophobicContact CG-CD1 4.07Å; P834-L837 HydrophobicContact CG-CB 4.36Å; P834-L837 HydrophobicContact CG-CD1 4.22Å; L837-V839 HydrophobicContact CD2-CG2 4.1Å; L837-V839 HydrophobicContact CG-CG2 3.79Å; L837-M867 HydrophobicContact CD2-CE 4.07Å; L837-M867 HydrophobicContact CD2-CG 4.4Å; L837-M867 HydrophobicContact CD2-SD 4.45Å; L837-Y881 HydrophobicContact CB-CD1 4.05Å; L837-Y881 HydrophobicContact CB-CE1 3.59Å; L837-Y881 HydrophobicContact CD2-CE2 4.33Å; L837-Y936 PolarHBondContact N-O 3.13Å; L837-Y936 PolarHBondContact O-N 3.47Å
838	V	98.1	Very high	86.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.1	172.8	178.8	0	0	0	0	109.5	L388 F441 Y466 L467 V933 F935	L388-V838 HydrophobicContact CD2-CG1 3.77Å; F441-V838 HydrophobicContact CD1-CG2 3.8Å; F441-V838 HydrophobicContact CE1-CG2 3.88Å; Y466-V838 CarbonylContact C-O 3.51Å; Y466-V838 WeakPolarHBondContact CA-O 3.34Å; L467-V838 PolarHBondContact N-O 3.04Å; V838-V933 HydrophobicContact CG1-CG1 3.71Å; V838-F935 HydrophobicContact CG1-CE1 4.28Å; V838-F935 HydrophobicContact CG1-CZ 4.38Å; V838-F935 HydrophobicContact CG2-CD1 3.73Å; V838-F935 HydrophobicContact CG2-CE1 3.75Å
839	V	98.1	Very high	84.2	Confident	4 Å²	4	42.7 Å²	42.7	2%	0.024	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	103.2	-176.2	-170.9	0	0	0	0	110.8	L469 L794 L837 V933 L934 Y936	L469-V839 HydrophobicContact CD1-CG1 3.38Å; L469-V839 HydrophobicContact CG-CG1 3.77Å; L794-V839 HydrophobicContact CD1-CG1 4.16Å; L837-V839 HydrophobicContact CD2-CG2 4.1Å; L837-V839 HydrophobicContact CG-CG2 3.79Å; V839-V933 WeakPolarHBondContact O-CA 3.37Å; V839-L934 HydrophobicContact CB-CB 4.31Å; V839-L934 PolarHBondContact N-O 3.08Å; V839-L934 PolarHBondContact O-N 3.24Å; V839-Y936 HydrophobicContact CG2-CD2 4.32Å
840	H	97.6	Very high	81.8	Confident	9 Å²	9	44.8 Å²	44.8	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	126.2	173.5	160.2	-139.7	0	0	0	110.8	H385 L467 T468 L469 Y932 V933	H385-H840 WeakPolarHBondContact CD2-CB 3.47Å; H385-H840 AromaticContact CD2-CG 3.37Å; H385-H840 AromaticContact CD2-ND1 3.28Å; H385-H840 PolarHBondContact CD2-ND1 2.89Å; H385-H840 VanDerWaalsContact CD2-ND1 3.28Å; H385-H840 AromaticContact CE1-CE1 3.84Å; H385-H840 AromaticContact CE1-ND1 3.31Å; H385-H840 PolarHBondContact CE1-ND1 3Å; H385-H840 VanDerWaalsContact CE1-ND1 3.31Å; H385-H840 AromaticContact CG-CE1 3.7Å; H385-H840 AromaticContact CG-CG 3.63Å; H385-H840 AromaticContact CG-ND1 3.36Å; H385-H840 AromaticContact ND1-CE1 3.55Å; H385-H840 AromaticContact ND1-ND1 3.38Å; H385-H840 PolarHBondContact ND1-ND1 2.67Å; H385-H840 AromaticContact NE2-CG 3.72Å; H385-H840 AromaticContact NE2-ND1 3.2Å; H385-H840 PolarHBondContact NE2-ND1 3.41Å; L467-H840 PolarHBondContact O-N 3.05Å; T468-H840 CarbonylContact C-O 3.52Å; T468-H840 WeakPolarHBondContact CA-O 3.38Å; T468-H840 WeakPolarHBondContact CG2-ND1 3.06Å; T468-H840 PolarHBondContact OG1-ND1 2.9Å; L469-H840 PolarHBondContact N-O 3.44Å; H840-Y932 AromaticContact CD2-CE2 3.46Å; H840-Y932 VanDerWaalsContact CD2-CE2 3.46Å; H840-Y932 WeakPolarHBondContact CD2-CE2 3.24Å; H840-Y932 AromaticContact CD2-CZ 3.63Å; H840-Y932 AromaticContact NE2-CE2 3.33Å; H840-Y932 VanDerWaalsContact NE2-CE2 3.33Å; H840-Y932 WeakPolarHBondContact NE2-CE2 3.16Å; H840-Y932 AromaticContact NE2-CZ 3.41Å; H840-Y932 PolarHBondContact NE2-OH 3.43Å; H840-V933 HydrophobicContact CB-CG1 4.41Å; H840-V933 HydrophobicContact CB-CG2 4.2Å
841	L	95.4	Very high	80.1	Confident	0 Å²	0	53 Å²	53	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	110.5	173.1	-62.3	177.9	0	0	0	108.9	L471 L794 R843 V858 Y932 L934	L471-L841 HydrophobicContact CD1-CB 4.13Å; L794-L841 HydrophobicContact CD1-CD2 3.86Å; L841-R843 HydrophobicContact CB-CG 4.41Å; L841-R843 PolarHBondContact O-N 2.94Å; L841-V858 HydrophobicContact CD1-CB 3.97Å; L841-V858 HydrophobicContact CD1-CG1 4.14Å; L841-V858 HydrophobicContact CD1-CG2 4.11Å; L841-V858 HydrophobicContact CD2-CG1 4.18Å; L841-Y932 PolarHBondContact N-O 2.72Å; L841-Y932 WeakPolarHBondContact O-CD2 3.4Å; L841-Y932 VanDerWaalsContact O-CE2 3.23Å; L841-Y932 WeakPolarHBondContact O-CE2 3.21Å; L841-L934 HydrophobicContact CD1-CD1 4.46Å
842	K	91.8	Very high	78.7	Confident	118 Å²	118	54 Å²	54	51%	0.513	24%	0.24	S	C	.	.			trans	-70.2	67.7	-173.6	-164.5	179.8	-175.8	170.8	0	113.1	T468 L469	T468-K842 HydrophobicContact CG2-CB 3.95Å; T468-K842 HydrophobicContact CG2-CD 3.93Å; T468-K842 HydrophobicContact CG2-CG 4.06Å; L469-K842 WeakPolarHBondContact O-CB 3.31Å; L469-K842 PolarHBondContact O-N 3.45Å
843	R	88.6	Confident	77.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	24%	0.237	C	C	.	.			trans	-73.8	-31.6	-174.9	-68.9	-174.6	-177.8	-75.1	0.4	113.3	L471 L841 K853 L854 S856 G931 Y932	L471-R843 HydrophobicContact CD1-CG 4.42Å; L471-R843 HydrophobicContact CD2-CG 4.21Å; L841-R843 HydrophobicContact CB-CG 4.41Å; L841-R843 PolarHBondContact O-N 2.94Å; R843-K853 HydrophobicContact CB-CG 4.38Å; R843-K853 CarbonylContact O-C 3.16Å; R843-K853 WeakPolarHBondContact O-CA 3.21Å; R843-L854 PolarHBondContact NH1-O 3.31Å; R843-L854 PolarHBondContact O-N 2.88Å; R843-S856 PolarHBondContact NH1-O 3.35Å; R843-G931 VanDerWaalsContact CZ-O 3.28Å; R843-G931 PolarHBondContact NE-O 3.48Å; R843-G931 PolarHBondContact NH2-O 2.8Å; R843-Y932 HydrophobicContact CB-CD2 4.26Å; R843-Y932 HydrophobicContact CB-CE2 4.31Å; R843-Y932 HydrophobicContact CG-CD2 4.18Å
844	F	82.6	Confident	77.3	Confident	19 Å²	19	54.8 Å²	54.8	8%	0.083	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	134.8	-177.2	-60.9	-55.7	0	0	0	112.2	Y846 K853 H889 M893 Y932	F844-Y846 HydrophobicContact CB-CE2 4.16Å; F844-K853 HydrophobicContact CD1-CB 4.2Å; F844-K853 HydrophobicContact CD1-CG 4.11Å; F844-K853 HydrophobicContact CE1-CB 4.43Å; F844-K853 HydrophobicContact CE1-CD 4.02Å; F844-K853 HydrophobicContact CE1-CG 4.09Å; F844-H889 AromaticContact CE1-CE1 3.71Å; F844-H889 AromaticContact CE1-ND1 3.66Å; F844-H889 AromaticContact CZ-CE1 3.44Å; F844-H889 VanDerWaalsContact CZ-CE1 3.44Å; F844-H889 WeakPolarHBondContact CZ-CE1 2.99Å; F844-H889 AromaticContact CZ-ND1 3.25Å; F844-H889 VanDerWaalsContact CZ-ND1 3.25Å; F844-H889 WeakPolarHBondContact CZ-ND1 3.31Å; F844-M893 HydrophobicContact CB-CE 4.38Å; F844-M893 HydrophobicContact CB-SD 3.8Å; F844-M893 HydrophobicContact CD1-CG 3.33Å; F844-M893 HydrophobicContact CD1-SD 3.48Å; F844-M893 WeakPolarHBondContact CD1-SD 3.42Å; F844-M893 HydrophobicContact CE1-CG 3.46Å; F844-M893 VanDerWaalsContact CE1-CG 3.46Å; F844-M893 HydrophobicContact CE1-SD 4.25Å; F844-M893 HydrophobicContact CG-CG 4.1Å; F844-M893 HydrophobicContact CG-SD 3.88Å; F844-M893 HydrophobicContact CZ-CG 4.31Å; F844-Y932 HydrophobicContact CD2-CE2 4.14Å; F844-Y932 AromaticContact CD2-CZ 3.86Å; F844-Y932 WeakPolarHBondContact CD2-OH 3.08Å; F844-Y932 HydrophobicContact CE2-CE1 4.03Å; F844-Y932 HydrophobicContact CE2-CE2 4.1Å; F844-Y932 AromaticContact CE2-CZ 3.63Å
845	S	68	Low	76.7	Confident	42 Å²	42	58.9 Å²	58.9	29%	0.294	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	114.7	175.2	-179.2	0	0	0	0	110.7	D852	S845-D852 PolarHBondContact N-O 3.32Å; S845-D852 PolarHBondContact O-N 2.73Å; S845-D852 VanDerWaalsContact O-N 3.14Å
846	Y	56.7	Low	76.3	Confident	143 Å²	143	59.8 Å²	59.8	56%	0.561	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	106.1	179	-65.8	-111.4	0	0	0	109.7	F844 M893	F844-Y846 HydrophobicContact CB-CE2 4.16Å; Y846-M893 HydrophobicContact CD1-CE 3.82Å; Y846-M893 HydrophobicContact CD2-CE 3.98Å; Y846-M893 HydrophobicContact CE1-CE 3.43Å; Y846-M893 VanDerWaalsContact CE1-CE 3.43Å; Y846-M893 HydrophobicContact CE2-CE 3.57Å; Y846-M893 HydrophobicContact CG-CE 4.08Å
847	S	50.9	Low	76	Confident	58 Å²	58	62 Å²	62	41%	0.406	28%	0.279	S	S	.	.			trans	-107.9	160.2	161.9	81.8	0	0	0	0	110	Y849 M850	S847-Y849 PolarHBondContact O-N 3.46Å; S847-M850 WeakPolarHBondContact CB-O 3.37Å; S847-M850 PolarHBondContact N-O 2.94Å; S847-M850 VanDerWaalsContact N-O 3.12Å; S847-M850 WeakPolarHBondContact OG-CA 3.28Å; S847-M850 WeakPolarHBondContact OG-CB 3.46Å; S847-M850 PolarHBondContact OG-N 3.02Å; S847-M850 PolarHBondContact OG-O 3.12Å
848	R	42.7	Very low	75.8	Confident	222 Å²	222	62 Å²	62	84%	0.838	28%	0.279	S	S	*	.	S	Bend	trans	-60.6	-17.8	-177.3	-66.6	-172.9	-174.3	178.2	3.1	114.6
849	Y	40	Very low	75.7	Confident	186 Å²	186	64.7 Å²	64.7	73%	0.729	29%	0.294	S	S	*	.	S	Bend	trans	-128.2	-14.9	-173.9	-54	-68.5	0	0	0	114	S847	S847-Y849 PolarHBondContact O-N 3.46Å
850	M	44	Very low	75.6	Confident	62 Å²	62	64.6 Å²	64.6	31%	0.305	29%	0.293	S	S	.	.			trans	-143.3	128.6	-174.6	-152.6	178.1	-165.5	0	0	110.2	S847	S847-M850 WeakPolarHBondContact CB-O 3.37Å; S847-M850 PolarHBondContact N-O 2.94Å; S847-M850 VanDerWaalsContact N-O 3.12Å; S847-M850 WeakPolarHBondContact OG-CA 3.28Å; S847-M850 WeakPolarHBondContact OG-CB 3.46Å; S847-M850 PolarHBondContact OG-N 3.02Å; S847-M850 PolarHBondContact OG-O 3.12Å
851	R	60.7	Low	75.5	Confident	171 Å²	171	66.6 Å²	66.6	65%	0.645	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	100.3	173.7	-68.7	179	177.8	-163.6	-1.8	108	M893	R851-M893 HydrophobicContact CB-CB 4.05Å; R851-M893 HydrophobicContact CB-CE 4.18Å; R851-M893 HydrophobicContact CB-SD 3.82Å; R851-M893 HydrophobicContact CG-CE 4.12Å; R851-M893 HydrophobicContact CG-SD 4.42Å; R851-M893 PolarHBondContact NH1-O 3.32Å; R851-M893 VanDerWaalsContact NH1-O 3.11Å
852	D	65.4	Low	75.5	Confident	46 Å²	46	68.1 Å²	68.1	25%	0.246	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	144.4	-174.7	-170.9	4.4	0	0	0	110.5	K501 S845	K501-D852 IonicContact NZ-OD2 2.71Å; K501-D852 PolarHBondContact NZ-OD2 2.58Å; S845-D852 PolarHBondContact N-O 3.32Å; S845-D852 PolarHBondContact O-N 2.73Å; S845-D852 VanDerWaalsContact O-N 3.14Å
853	K	78.9	Confident	75.6	Confident	42 Å²	42	67.9 Å²	67.9	18%	0.183	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	115	175.8	-179.8	-174.6	172.4	178.8	0	109	R843 F844 D855 H889 G891	R843-K853 HydrophobicContact CB-CG 4.38Å; R843-K853 CarbonylContact O-C 3.16Å; R843-K853 WeakPolarHBondContact O-CA 3.21Å; F844-K853 HydrophobicContact CD1-CB 4.2Å; F844-K853 HydrophobicContact CD1-CG 4.11Å; F844-K853 HydrophobicContact CE1-CB 4.43Å; F844-K853 HydrophobicContact CE1-CD 4.02Å; F844-K853 HydrophobicContact CE1-CG 4.09Å; K853-D855 PolarHBondContact O-N 3.14Å; K853-H889 PolarHBondContact NZ-ND1 2.88Å; K853-H889 PolarHBondContact NZ-O 2.91Å; K853-G891 WeakPolarHBondContact CD-O 3.41Å; K853-G891 WeakPolarHBondContact CE-O 3.29Å; K853-G891 PolarHBondContact NZ-O 2.93Å
854	L	81.2	Confident	75.9	Confident	21 Å²	21	72.4 Å²	72.4	11%	0.11	33%	0.334	C	S	.	.			trans	-68.7	99.2	178.3	-59.3	176.3	0	0	0	110.5	L471 M473 R843 S856	L471-L854 HydrophobicContact CB-CD1 3.89Å; L471-L854 HydrophobicContact CD2-CB 4.1Å; M473-L854 HydrophobicContact CE-CD2 4.46Å; M473-L854 HydrophobicContact CG-CD1 3.97Å; R843-L854 PolarHBondContact NH1-O 3.31Å; R843-L854 PolarHBondContact O-N 2.88Å; L854-S856 PolarHBondContact O-N 2.88Å
855	D	83.2	Confident	76.5	Confident	89 Å²	89	71.6 Å²	71.6	48%	0.476	33%	0.331	S	S	.	.			trans	-73.1	-3.2	-179.7	97.4	-40.5	0	0	0	113.9	K853 K929	K853-D855 PolarHBondContact O-N 3.14Å; D855-K929 WeakPolarHBondContact O-CD 3.37Å; D855-K929 VanDerWaalsContact O-CG 3.25Å; D855-K929 WeakPolarHBondContact O-CG 3.36Å; D855-K929 PolarHBondContact O-NZ 3.3Å; D855-K929 IonicContact OD1-NZ 3.59Å; D855-K929 PolarHBondContact OD1-NZ 2.84Å; D855-K929 IonicContact OD2-NZ 2.96Å; D855-K929 PolarHBondContact OD2-NZ 2.92Å
856	S	85.3	Confident	77.8	Confident	22 Å²	22	71.5 Å²	71.5	15%	0.154	33%	0.327	C	S	.	.			trans	-59.9	139.5	-169.6	-61.1	0	0	0	0	111.7	R843 L854 V858	R843-S856 PolarHBondContact NH1-O 3.35Å; L854-S856 PolarHBondContact O-N 2.88Å; S856-V858 PolarHBondContact O-N 2.83Å
857	L	90.3	Very high	79.5	Confident	48 Å²	48	64.7 Å²	64.7	25%	0.251	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	127.9	177.9	-177.6	58.3	0	0	0	108.1	F791 F792 S928 K929	F791-L857 WeakPolarHBondContact CA-O 3.39Å; F791-L857 HydrophobicContact CD2-CB 4.21Å; F791-L857 HydrophobicContact CD2-CD2 3.83Å; F791-L857 HydrophobicContact CD2-CG 3.91Å; F791-L857 HydrophobicContact CE2-CD2 4.15Å; F791-L857 HydrophobicContact CE2-CG 4.35Å; F792-L857 PolarHBondContact N-O 3.07Å; F792-L857 VanDerWaalsContact N-O 3.15Å; L857-S928 VanDerWaalsContact CD1-C 3.43Å; L857-K929 HydrophobicContact CB-CG 4.21Å; L857-K929 HydrophobicContact CD1-CG 4.35Å
858	V	93.4	Very high	81.4	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	123.5	171.9	179.9	0	0	0	0	106.5	L471 F792 L794 L841 S856 F860	L471-V858 HydrophobicContact CD2-CG2 3.92Å; L471-V858 HydrophobicContact CG-CG2 4.31Å; F792-V858 CarbonylContact O-C 3.56Å; F792-V858 VanDerWaalsContact O-CA 3.29Å; F792-V858 WeakPolarHBondContact O-CA 3.29Å; L794-V858 HydrophobicContact CB-CG1 4.46Å; L794-V858 HydrophobicContact CD1-CG1 4.33Å; L841-V858 HydrophobicContact CD1-CB 3.97Å; L841-V858 HydrophobicContact CD1-CG1 4.14Å; L841-V858 HydrophobicContact CD1-CG2 4.11Å; L841-V858 HydrophobicContact CD2-CG1 4.18Å; S856-V858 PolarHBondContact O-N 2.83Å; V858-F860 VanDerWaalsContact O-CD1 3.26Å; V858-F860 WeakPolarHBondContact O-CD1 3.39Å; V858-F860 PolarHBondContact O-N 3Å
859	D	94.3	Very high	83.7	Confident	57 Å²	57	58.6 Å²	58.6	31%	0.305	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	109.2	176.5	-162.2	34.9	0	0	0	108.5	F791 F792 K793 L794	F791-D859 HydrophobicContact CD2-CB 4.44Å; F791-D859 HydrophobicContact CE1-CB 4.19Å; F791-D859 HydrophobicContact CE2-CB 3.55Å; F791-D859 HydrophobicContact CZ-CB 3.42Å; F791-D859 VanDerWaalsContact CZ-CB 3.42Å; F791-D859 WeakPolarHBondContact CZ-OD2 3.21Å; F792-D859 PolarHBondContact O-N 3.29Å; K793-D859 HydrophobicContact CG-CB 4.18Å; L794-D859 WeakPolarHBondContact CB-O 3.37Å; L794-D859 PolarHBondContact N-O 2.99Å
860	F	95.8	Very high	86.1	Confident	1 Å²	1	50.7 Å²	50.7	0%	0.004	25%	0.249	C	C	.	.			trans	-123	124.8	178.4	56.4	-96.2	0	0	0	109.2	L794 V858 L883 V886 I926 V927 L934	L794-F860 HydrophobicContact CB-CB 4.22Å; L794-F860 HydrophobicContact CD2-CB 4.03Å; V858-F860 VanDerWaalsContact O-CD1 3.26Å; V858-F860 WeakPolarHBondContact O-CD1 3.39Å; V858-F860 PolarHBondContact O-N 3Å; F860-L883 HydrophobicContact CD2-CD2 4.03Å; F860-L883 HydrophobicContact CE2-CD2 3.83Å; F860-V886 HydrophobicContact CE2-CG2 3.98Å; F860-V886 HydrophobicContact CZ-CG2 4.32Å; F860-I926 HydrophobicContact CE2-CG2 4.2Å; F860-I926 WeakPolarHBondContact CZ-O 3.48Å; F860-V927 HydrophobicContact CD1-CG1 4.45Å; F860-V927 HydrophobicContact CD2-CG2 4.19Å; F860-V927 HydrophobicContact CE1-CG1 4.36Å; F860-V927 HydrophobicContact CE2-CG2 4Å; F860-V927 HydrophobicContact CZ-CB 4.46Å; F860-V927 HydrophobicContact CZ-CG2 4.33Å; F860-V927 WeakPolarHBondContact O-CG2 3.19Å; F860-L934 HydrophobicContact CB-CD1 3.62Å; F860-L934 HydrophobicContact CD1-CD1 3.93Å; F860-L934 HydrophobicContact CD1-CD2 4.01Å; F860-L934 HydrophobicContact CD2-CD1 4.01Å; F860-L934 HydrophobicContact CD2-CD2 3.92Å; F860-L934 HydrophobicContact CE1-CD2 3.84Å; F860-L934 HydrophobicContact CE2-CD2 3.75Å; F860-L934 HydrophobicContact CG-CD1 3.6Å; F860-L934 HydrophobicContact CG-CD2 4.05Å; F860-L934 HydrophobicContact CG-CG 4.5Å; F860-L934 HydrophobicContact CZ-CD2 3.7Å
861	P	95.8	Very high	88.4	Confident	51 Å²	51	48.8 Å²	48.8	33%	0.331	24%	0.24	S	C	.	.			trans	-74.5	144.3	-174.7	32.2	-36.4	0	0	0	110.7	L865 Y936	P861-L865 HydrophobicContact CG-CB 3.91Å; P861-L865 HydrophobicContact CG-CD1 3.85Å; P861-L865 HydrophobicContact CG-CG 4.4Å; P861-Y936 WeakPolarHBondContact O-CE1 3.5Å; P861-Y936 PolarHBondContact O-OH 2.64Å
862	L	95.8	Very high	90	Very high	32 Å²	32	43.6 Å²	43.6	17%	0.168	22%	0.224	C	C	.	.	S	Bend	trans	-81.1	-20.7	179.7	-64.6	77.5	0	0	0	113	L883 E923 I926 V927	L862-L883 HydrophobicContact CG-CD2 4.3Å; L862-L883 WeakPolarHBondContact O-CB 3.33Å; L862-L883 PolarHBondContact O-N 2.96Å; L862-E923 HydrophobicContact CD2-CB 3.54Å; L862-E923 HydrophobicContact CD2-CG 3.64Å; L862-I926 HydrophobicContact CD2-CD1 3.94Å; L862-V927 HydrophobicContact CD1-CG2 3.55Å; L862-V927 HydrophobicContact CG-CG2 4.49Å
863	R	94.8	Very high	91.1	Very high	114 Å²	114	42.7 Å²	42.7	43%	0.43	22%	0.22	S	C	.	.	S	Bend	trans	-140.5	159.8	-180	-64.3	179.4	-176.6	74.6	7.7	109.5	L865 D882 E923	R863-L865 VanDerWaalsContact C-N 3.27Å; R863-L865 PolarHBondContact O-N 3.24Å; R863-D882 VanDerWaalsContact CA-OD1 3.25Å; R863-D882 WeakPolarHBondContact CA-OD1 3.41Å; R863-E923 IonicContact CZ-OE1 2.76Å; R863-E923 IonicContact CZ-OE2 3.26Å; R863-E923 IonicContact NH1-OE1 3.5Å; R863-E923 PolarHBondContact NH1-OE1 2.9Å; R863-E923 IonicContact NH1-OE2 3.58Å; R863-E923 PolarHBondContact NH1-OE2 2.85Å; R863-E923 IonicContact NH2-OE1 2.68Å; R863-E923 PolarHBondContact NH2-OE1 3.48Å; R863-E923 IonicContact NH2-OE2 3.02Å
864	D	93.9	Very high	91	Very high	94 Å²	94	46.4 Å²	46.4	50%	0.503	25%	0.248	S	C	.	.			trans	55.5	36.1	168.7	-55.8	-58.6	0	0	0	114.5	D866 Y881 D882 Q939	D864-D866 VanDerWaalsContact C-N 3.32Å; D864-D866 PolarHBondContact O-N 2.82Å; D864-Y881 PolarHBondContact N-O 2.75Å; D864-D882 PolarHBondContact N-OD1 3.15Å; D864-Q939 PolarHBondContact OD1-NE2 2.9Å
865	L	95.5	Very high	90.9	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.016	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	94.3	169.5	176.4	59.5	0	0	0	109	L794 P861 R863 M867 Y881 Y936	L794-L865 HydrophobicContact CD2-CD1 4.32Å; L794-L865 HydrophobicContact CD2-CD2 3.85Å; P861-L865 HydrophobicContact CG-CB 3.91Å; P861-L865 HydrophobicContact CG-CD1 3.85Å; P861-L865 HydrophobicContact CG-CG 4.4Å; R863-L865 VanDerWaalsContact C-N 3.27Å; R863-L865 PolarHBondContact O-N 3.24Å; L865-M867 HydrophobicContact CD1-SD 4.27Å; L865-M867 HydrophobicContact CD2-CG 4.44Å; L865-M867 HydrophobicContact CD2-SD 4.16Å; L865-M867 HydrophobicContact CG-CG 4.11Å; L865-M867 HydrophobicContact CG-SD 4.07Å; L865-M867 PolarHBondContact O-N 2.85Å; L865-Y881 WeakPolarHBondContact CB-O 3.21Å; L865-Y881 PolarHBondContact N-O 2.82Å; L865-Y881 PolarHBondContact O-N 2.97Å; L865-Y936 HydrophobicContact CB-CD1 4.31Å; L865-Y936 HydrophobicContact CB-CE1 3.95Å; L865-Y936 HydrophobicContact CD2-CD1 3.9Å; L865-Y936 HydrophobicContact CD2-CD2 4Å; L865-Y936 HydrophobicContact CD2-CE1 3.66Å; L865-Y936 HydrophobicContact CD2-CE2 3.75Å; L865-Y936 HydrophobicContact CD2-CG 4.07Å; L865-Y936 HydrophobicContact CG-CE1 4.45Å
866	D	94.3	Very high	90.7	Very high	39 Å²	39	48.3 Å²	48.3	21%	0.209	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	111.9	174.7	-159.9	-36.4	0	0	0	110.3	K795 D864 S868 R880	K795-D866 PolarHBondContact NZ-O 2.98Å; D864-D866 VanDerWaalsContact C-N 3.32Å; D864-D866 PolarHBondContact O-N 2.82Å; D866-S868 PolarHBondContact OD1-N 2.78Å; D866-S868 VanDerWaalsContact OD1-N 3.14Å; D866-R880 IonicContact OD2-CZ 2.74Å; D866-R880 IonicContact OD2-NH1 2.75Å; D866-R880 PolarHBondContact OD2-NH1 3.29Å; D866-R880 IonicContact OD2-NH2 3.16Å; D866-R880 PolarHBondContact OD2-NH2 3.45Å
867	M	94.1	Very high	90.3	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	28%	0.278	C	S	.	.			trans	-102.7	-6.8	178.8	-69.6	-65.9	-64	0	0	113.4	I798 L830 L833 L837 L865 E869 F870 C879 Y881	I798-M867 HydrophobicContact CD1-CE 4.01Å; I798-M867 HydrophobicContact CD1-SD 3.75Å; L830-M867 HydrophobicContact CD1-CE 4.02Å; L833-M867 HydrophobicContact CD1-CB 3.52Å; L833-M867 HydrophobicContact CD1-CE 3.92Å; L833-M867 HydrophobicContact CD1-CG 4.05Å; L837-M867 HydrophobicContact CD2-CE 4.07Å; L837-M867 HydrophobicContact CD2-CG 4.4Å; L837-M867 HydrophobicContact CD2-SD 4.45Å; L865-M867 HydrophobicContact CD1-SD 4.27Å; L865-M867 HydrophobicContact CD2-CG 4.44Å; L865-M867 HydrophobicContact CD2-SD 4.16Å; L865-M867 HydrophobicContact CG-CG 4.11Å; L865-M867 HydrophobicContact CG-SD 4.07Å; L865-M867 PolarHBondContact O-N 2.85Å; M867-E869 PolarHBondContact O-N 2.69Å; M867-F870 HydrophobicContact CE-CD2 4.09Å; M867-F870 PolarHBondContact O-N 3.48Å; M867-F870 HydrophobicContact SD-CD2 4.05Å; M867-F870 HydrophobicContact SD-CE2 4.38Å; M867-C879 HydrophobicContact CB-CB 4.29Å; M867-C879 PolarHBondContact N-O 2.91Å; M867-Y881 HydrophobicContact CB-CD2 4.3Å; M867-Y881 HydrophobicContact CB-CE2 4.16Å; M867-Y881 HydrophobicContact CG-CD2 3.72Å; M867-Y881 HydrophobicContact CG-CE2 3.87Å
868	S	90.7	Very high	90	Very high	39 Å²	39	51.8 Å²	51.8	27%	0.273	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-64	-26.9	-174.9	-71.9	0	0	0	0	113.2	D866 F870 L871 G877 P878 C879	D866-S868 PolarHBondContact OD1-N 2.78Å; D866-S868 VanDerWaalsContact OD1-N 3.14Å; S868-F870 PolarHBondContact O-N 3.37Å; S868-L871 PolarHBondContact O-N 2.79Å; S868-G877 PolarHBondContact OG-O 3Å; S868-P878 WeakPolarHBondContact OG-CA 3.46Å; S868-C879 PolarHBondContact OG-N 3.07Å
869	E	89.6	Confident	89.8	Confident	112 Å²	112	52.1 Å²	52.1	52%	0.523	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-66.9	-16.4	175.1	71.6	-173.4	-163.6	0	0	114.2	K795 M867	K795-E869 WeakPolarHBondContact CD-OE1 3.32Å; K795-E869 WeakPolarHBondContact CE-OE1 3.44Å; K795-E869 IonicContact NZ-OE1 3.33Å; K795-E869 PolarHBondContact NZ-OE1 3.29Å; K795-E869 IonicContact NZ-OE2 3.91Å; K795-E869 PolarHBondContact NZ-OE2 2.83Å; M867-E869 PolarHBondContact O-N 2.69Å
870	F	91.7	Very high	89.8	Confident	20 Å²	20	53.8 Å²	53.8	9%	0.088	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-101.4	-6.7	178.1	-54	-65.5	0	0	0	113.6	K795 I798 E799 L830 M867 S868	K795-F870 HydrophobicContact CB-CZ 3.93Å; K795-F870 HydrophobicContact CD-CE2 4.48Å; K795-F870 HydrophobicContact CD-CZ 4.25Å; K795-F870 HydrophobicContact CG-CE2 4.13Å; K795-F870 HydrophobicContact CG-CZ 3.89Å; I798-F870 HydrophobicContact CB-CD1 4.46Å; I798-F870 HydrophobicContact CB-CE1 4.27Å; I798-F870 HydrophobicContact CB-CE2 4.35Å; I798-F870 HydrophobicContact CB-CZ 4.21Å; I798-F870 HydrophobicContact CD1-CD2 4.3Å; I798-F870 HydrophobicContact CD1-CE2 3.93Å; I798-F870 HydrophobicContact CD1-CZ 4.44Å; I798-F870 HydrophobicContact CG2-CB 4.14Å; I798-F870 HydrophobicContact CG2-CD1 3.64Å; I798-F870 HydrophobicContact CG2-CD2 3.8Å; I798-F870 HydrophobicContact CG2-CE1 3.93Å; I798-F870 HydrophobicContact CG2-CE2 4.08Å; I798-F870 HydrophobicContact CG2-CG 3.57Å; I798-F870 HydrophobicContact CG2-CZ 4.15Å; E799-F870 HydrophobicContact CG-CE1 3.96Å; L830-F870 HydrophobicContact CD1-CB 4Å; M867-F870 HydrophobicContact CE-CD2 4.09Å; M867-F870 PolarHBondContact O-N 3.48Å; M867-F870 HydrophobicContact SD-CD2 4.05Å; M867-F870 HydrophobicContact SD-CE2 4.38Å; S868-F870 PolarHBondContact O-N 3.37Å
871	L	92.5	Very high	89.8	Confident	23 Å²	23	53.7 Å²	53.7	12%	0.12	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-85.3	124.4	179.5	-85.8	162.9	0	0	0	110.5	L830 W831 L833 S868 A876 C879	L830-L871 HydrophobicContact CB-CD2 4.36Å; L830-L871 WeakPolarHBondContact O-CA 3.44Å; W831-L871 VanDerWaalsContact C-CD2 3.46Å; W831-L871 WeakPolarHBondContact O-CD2 3.38Å; L833-L871 HydrophobicContact CD1-CD1 4.08Å; L833-L871 HydrophobicContact CD1-CG 4.28Å; L833-L871 HydrophobicContact CG-CD1 4.29Å; L833-L871 HydrophobicContact CG-CD2 4.13Å; L833-L871 HydrophobicContact CG-CG 4.35Å; S868-L871 PolarHBondContact O-N 2.79Å; L871-A876 HydrophobicContact CB-CB 4.5Å; L871-A876 HydrophobicContact CD1-CB 3.99Å; L871-A876 HydrophobicContact CD2-CB 4.34Å; L871-C879 HydrophobicContact CD1-CB 3.97Å; L871-C879 VanDerWaalsContact CD1-SG 3.59Å
872	I	92.9	Very high	89.9	Confident	61 Å²	61	53.1 Å²	53.1	31%	0.313	29%	0.293	S	S	.	.			trans	-89.8	-2.9	177.8	60.6	151	0	0	0	113.8	K446 D829 L830 W831	K446-I872 HydrophobicContact CB-CD1 4.07Å; K446-I872 HydrophobicContact CD-CD1 3.46Å; K446-I872 VanDerWaalsContact CD-CD1 3.46Å; K446-I872 HydrophobicContact CG-CD1 4.42Å; D829-I872 HydrophobicContact CB-CD1 3.59Å; D829-I872 HydrophobicContact CB-CG1 3.89Å; D829-I872 HydrophobicContact CB-CG2 3.92Å; L830-I872 VanDerWaalsContact O-CG1 3.28Å; L830-I872 WeakPolarHBondContact O-CG1 3.46Å; L830-I872 PolarHBondContact O-N 2.8Å; W831-I872 HydrophobicContact CE3-CD1 3.87Å; W831-I872 HydrophobicContact CE3-CG1 3.91Å; W831-I872 HydrophobicContact CZ3-CD1 4.35Å; W831-I872 HydrophobicContact CZ3-CG1 4.49Å
873	N	88.6	Confident	90	Very high	28 Å²	28	51.7 Å²	51.7	15%	0.15	29%	0.286	C	S	.	.			trans	-88.2	114	175.3	175.2	9.7	0	0	0	109.3	W831 N875 A876	W831-N873 HydrophobicContact CD2-CB 3.8Å; W831-N873 HydrophobicContact CE3-CB 3.92Å; W831-N873 HydrophobicContact CG-CB 4.37Å; W831-N873 HydrophobicContact CH2-CB 4Å; W831-N873 HydrophobicContact CZ2-CB 3.88Å; W831-N873 HydrophobicContact CZ3-CB 4.02Å; W831-N873 VanDerWaalsContact O-CB 3.25Å; W831-N873 WeakPolarHBondContact O-CB 3.44Å; N873-N875 PolarHBondContact O-N 3.33Å; N873-N875 PolarHBondContact OD1-N 3.47Å; N873-N875 VanDerWaalsContact OD1-N 3.1Å; N873-A876 HydrophobicContact CB-CB 4.06Å; N873-A876 WeakPolarHBondContact O-CB 3.4Å; N873-A876 PolarHBondContact O-N 3.48Å
874	P	77.4	Confident	90.1	Very high	119 Å²	119	47.3 Å²	47.3	77%	0.773	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.1	-177.1	26.1	-33.6	0	0	0	113.6
875	N	79.9	Confident	90.3	Very high	121 Å²	121	42.8 Å²	42.8	65%	0.647	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	6.8	-177.1	-65.6	47.7	0	0	0	113	N873 G877	N873-N875 PolarHBondContact O-N 3.33Å; N873-N875 PolarHBondContact OD1-N 3.47Å; N873-N875 VanDerWaalsContact OD1-N 3.1Å; N875-G877 VanDerWaalsContact C-N 3.3Å; N875-G877 PolarHBondContact O-N 3.27Å
876	A	77.7	Confident	90.4	Very high	30 Å²	30	42.7 Å²	42.7	25%	0.248	25%	0.246	C	C	.	.	S	Bend	trans	-77.6	-5.7	-171.8	0	0	0	0	0	115.7	L871 N873	L871-A876 HydrophobicContact CB-CB 4.5Å; L871-A876 HydrophobicContact CD1-CB 3.99Å; L871-A876 HydrophobicContact CD2-CB 4.34Å; N873-A876 HydrophobicContact CB-CB 4.06Å; N873-A876 WeakPolarHBondContact O-CB 3.4Å; N873-A876 PolarHBondContact O-N 3.48Å
877	G	77	Confident	90.6	Very high	46 Å²	46	40.9 Å²	40.9	47%	0.474	24%	0.237	S	C	.	.			trans	68.5	-170.2	177.7	0	0	0	0	0	115.3	S868 N875 C879	S868-G877 PolarHBondContact OG-O 3Å; N875-G877 VanDerWaalsContact C-N 3.3Å; N875-G877 PolarHBondContact O-N 3.27Å; G877-C879 PolarHBondContact O-N 2.88Å
878	P	84.8	Confident	90.7	Very high	97 Å²	97	40.9 Å²	40.9	63%	0.63	24%	0.237	S	C	*	.			trans	-79.3	110.8	175.4	31.2	-32	0	0	0	111.3	S868	S868-P878 WeakPolarHBondContact OG-CA 3.46Å
879	C	89.4	Confident	90.9	Very high	7 Å²	7	39.2 Å²	39.2	5%	0.047	23%	0.225	C	C	.	.			trans	-101.7	88.9	176.4	-73.9	0	0	0	0	110.4	M867 S868 L871 G877 Y881	M867-C879 HydrophobicContact CB-CB 4.29Å; M867-C879 PolarHBondContact N-O 2.91Å; S868-C879 PolarHBondContact OG-N 3.07Å; L871-C879 HydrophobicContact CD1-CB 3.97Å; L871-C879 VanDerWaalsContact CD1-SG 3.59Å; G877-C879 PolarHBondContact O-N 2.88Å; C879-Y881 HydrophobicContact CB-CE2 4.19Å
880	R	94.5	Very high	90.8	Very high	91 Å²	91	38.5 Å²	38.5	34%	0.343	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	138	173.6	-62.8	-168.4	-178.5	-59.6	-28.3	110.8	D866 R938 Q939	D866-R880 IonicContact OD2-CZ 2.74Å; D866-R880 IonicContact OD2-NH1 2.75Å; D866-R880 PolarHBondContact OD2-NH1 3.29Å; D866-R880 IonicContact OD2-NH2 3.16Å; D866-R880 PolarHBondContact OD2-NH2 3.45Å; R880-R938 CarbonylContact O-C 3.6Å; R880-R938 WeakPolarHBondContact O-CA 3.35Å; R880-R938 WeakPolarHBondContact O-CG 3.48Å; R880-Q939 HydrophobicContact CB-CB 4.43Å; R880-Q939 HydrophobicContact CB-CG 4.13Å; R880-Q939 PolarHBondContact O-N 3.14Å
881	Y	95.9	Very high	90.3	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	141.8	179.6	-68.6	-98.1	0	0	0	113.7	L833 P834 L837 D864 L865 M867 C879 Q937 R938	L833-Y881 WeakPolarHBondContact CB-OH 3.25Å; L833-Y881 HydrophobicContact CD1-CE2 4.09Å; P834-Y881 WeakPolarHBondContact O-CE1 3.25Å; P834-Y881 PolarHBondContact O-OH 3.02Å; L837-Y881 HydrophobicContact CB-CD1 4.05Å; L837-Y881 HydrophobicContact CB-CE1 3.59Å; L837-Y881 HydrophobicContact CD2-CE2 4.33Å; D864-Y881 PolarHBondContact N-O 2.75Å; L865-Y881 WeakPolarHBondContact CB-O 3.21Å; L865-Y881 PolarHBondContact N-O 2.82Å; L865-Y881 PolarHBondContact O-N 2.97Å; M867-Y881 HydrophobicContact CB-CD2 4.3Å; M867-Y881 HydrophobicContact CB-CE2 4.16Å; M867-Y881 HydrophobicContact CG-CD2 3.72Å; M867-Y881 HydrophobicContact CG-CE2 3.87Å; C879-Y881 HydrophobicContact CB-CE2 4.19Å; Y881-Q937 CarbonylContact C-O 3.12Å; Y881-Q937 VanDerWaalsContact CA-O 3.26Å; Y881-Q937 WeakPolarHBondContact CA-O 3.22Å; Y881-Q937 VanDerWaalsContact CD1-C 3.42Å; Y881-R938 HydrophobicContact CD1-CB 3.92Å; Y881-R938 HydrophobicContact CD1-CG 4.04Å; Y881-R938 VanDerWaalsContact CD1-N 3.34Å; Y881-R938 HydrophobicContact CD2-CG 4.18Å; Y881-R938 HydrophobicContact CE1-CB 3.58Å; Y881-R938 HydrophobicContact CE1-CG 3.62Å; Y881-R938 HydrophobicContact CE2-CG 3.78Å; Y881-R938 HydrophobicContact CG-CG 4.29Å; Y881-R938 VanDerWaalsContact CZ-CG 3.46Å; Y881-R938 WeakPolarHBondContact OH-CD 3.37Å
882	D	96.4	Very high	89.2	Confident	38 Å²	38	40 Å²	40	20%	0.203	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	144.4	169.3	-80.2	11.6	0	0	0	110.7	R863 D864 Y936 Q937 Q939	R863-D882 VanDerWaalsContact CA-OD1 3.25Å; R863-D882 WeakPolarHBondContact CA-OD1 3.41Å; D864-D882 PolarHBondContact N-OD1 3.15Å; D882-Y936 CarbonylContact O-C 3.58Å; D882-Y936 VanDerWaalsContact O-CA 3.3Å; D882-Y936 WeakPolarHBondContact O-CA 3.33Å; D882-Q937 PolarHBondContact N-O 2.76Å; D882-Q937 PolarHBondContact O-N 3.3Å; D882-Q939 PolarHBondContact OD1-NE2 3.12Å
883	L	97.6	Very high	87.3	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	129.2	-179.7	-171.7	76.4	0	0	0	109.9	F860 L862 V886 W910 I926 L934 Y936	F860-L883 HydrophobicContact CD2-CD2 4.03Å; F860-L883 HydrophobicContact CE2-CD2 3.83Å; L862-L883 HydrophobicContact CG-CD2 4.3Å; L862-L883 WeakPolarHBondContact O-CB 3.33Å; L862-L883 PolarHBondContact O-N 2.96Å; L883-V886 HydrophobicContact CD1-CG2 4.05Å; L883-V886 HydrophobicContact CD2-CG2 3.76Å; L883-V886 HydrophobicContact CG-CG2 4.21Å; L883-W910 HydrophobicContact CB-CH2 4.35Å; L883-W910 HydrophobicContact CB-CZ2 4.45Å; L883-W910 HydrophobicContact CD2-CH2 4.01Å; L883-W910 HydrophobicContact CD2-CZ2 4.38Å; L883-W910 HydrophobicContact CG-CH2 3.95Å; L883-W910 HydrophobicContact CG-CZ2 4.46Å; L883-W910 WeakPolarHBondContact O-CH2 3.43Å; L883-W910 WeakPolarHBondContact O-CZ2 3.29Å; L883-I926 HydrophobicContact CD2-CG2 3.95Å; L883-L934 HydrophobicContact CD1-CB 4.03Å; L883-Y936 HydrophobicContact CB-CD1 4.15Å; L883-Y936 HydrophobicContact CB-CE1 3.75Å; L883-Y936 HydrophobicContact CD1-CD1 4.25Å; L883-Y936 HydrophobicContact CD1-CD2 4.06Å; L883-Y936 HydrophobicContact CD1-CE1 3.87Å; L883-Y936 HydrophobicContact CD1-CE2 3.67Å; L883-Y936 HydrophobicContact CD1-CG 4.33Å; L883-Y936 HydrophobicContact CG-CE1 4.42Å
884	I	97	Very high	85.6	Confident	22 Å²	22	41.4 Å²	41.4	11%	0.113	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-30.3	-180	56.7	164.8	0	0	0	113.5	I313 A902 K903 W910 F935 Q937	I313-I884 HydrophobicContact CG1-CD1 3.93Å; I884-A902 WeakPolarHBondContact O-CA 3.13Å; I884-K903 PolarHBondContact O-N 3.39Å; I884-W910 WeakPolarHBondContact O-CZ3 3.19Å; I884-F935 HydrophobicContact CD1-CB 4.45Å; I884-F935 HydrophobicContact CG1-CB 3.95Å; I884-F935 VanDerWaalsContact CG1-O 3.3Å; I884-F935 WeakPolarHBondContact CG1-O 3.28Å; I884-F935 PolarHBondContact N-O 3.26Å; I884-Q937 HydrophobicContact CD1-CB 4.32Å; I884-Q937 HydrophobicContact CG2-CB 3.84Å
885	A	98.1	Very high	85.1	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	158.6	175.1	0	0	0	0	0	113.4	C309 Y901 A902 F935	C309-A885 HydrophobicContact CB-CB 4Å; A885-Y901 CarbonylContact C-O 3.52Å; A885-Y901 VanDerWaalsContact CA-O 3.25Å; A885-Y901 WeakPolarHBondContact CA-O 3.5Å; A885-A902 HydrophobicContact CB-CB 4.11Å; A885-F935 HydrophobicContact CB-CB 4.03Å; A885-F935 HydrophobicContact CB-CD2 4.21Å; A885-F935 HydrophobicContact CB-CG 4.28Å; A885-F935 PolarHBondContact N-O 2.8Å; A885-F935 PolarHBondContact O-N 3.31Å
886	V	98.4	Very high	85.2	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	118.3	175.5	177.9	0	0	0	0	109.7	F860 L883 A900 Y901 I926 V933 L934	F860-V886 HydrophobicContact CE2-CG2 3.98Å; F860-V886 HydrophobicContact CZ-CG2 4.32Å; L883-V886 HydrophobicContact CD1-CG2 4.05Å; L883-V886 HydrophobicContact CD2-CG2 3.76Å; L883-V886 HydrophobicContact CG-CG2 4.21Å; V886-A900 CarbonylContact O-C 3.56Å; V886-A900 VanDerWaalsContact O-CA 3.27Å; V886-A900 WeakPolarHBondContact O-CA 3.41Å; V886-Y901 PolarHBondContact N-O 2.91Å; V886-Y901 PolarHBondContact O-N 3.47Å; V886-I926 HydrophobicContact CG2-CG2 3.81Å; V886-V933 CarbonylContact C-O 3.58Å; V886-V933 WeakPolarHBondContact CA-O 3.46Å; V886-L934 HydrophobicContact CB-CD2 4.49Å; V886-L934 HydrophobicContact CG1-CD2 3.95Å; V886-L934 HydrophobicContact CG2-CD2 3.9Å
887	S	98.1	Very high	85.8	Confident	2 Å²	2	34 Å²	34	1%	0.014	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	121.5	161.4	-177.4	0	0	0	0	108.7	S305 S384 Y932 V933	S305-S887 WeakPolarHBondContact OG-CB 3.5Å; S305-S887 PolarHBondContact OG-OG 2.93Å; S384-S887 PolarHBondContact OG-OG 3.08Å; S887-Y932 WeakPolarHBondContact O-CA 3.14Å; S887-Y932 WeakPolarHBondContact O-CB 3.42Å; S887-Y932 PolarHBondContact O-N 3.3Å; S887-V933 PolarHBondContact N-O 2.86Å; S887-V933 PolarHBondContact O-N 3.26Å
888	N	96.8	Very high	86.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	148.3	175.6	-62.2	-58.7	0	0	0	110.5	Y890 Y898 T899 Y901 A930	N888-Y890 HydrophobicContact CB-CE2 3.86Å; N888-Y898 VanDerWaalsContact O-CA 3.25Å; N888-Y898 WeakPolarHBondContact O-CA 3.35Å; N888-Y898 WeakPolarHBondContact O-CD1 3.16Å; N888-T899 PolarHBondContact N-O 2.93Å; N888-T899 PolarHBondContact ND2-OG1 2.83Å; N888-T899 PolarHBondContact O-N 3.48Å; N888-Y901 WeakPolarHBondContact ND2-CD2 3.28Å; N888-Y901 WeakPolarHBondContact ND2-CE2 2.99Å; N888-A930 CarbonylContact C-O 3.57Å; N888-A930 WeakPolarHBondContact CA-O 3.1Å; N888-A930 HydrophobicContact CB-CB 4.04Å
889	H	94.2	Very high	87.3	Confident	4 Å²	4	27.8 Å²	27.8	2%	0.019	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	123.7	167.8	-177.6	-130	0	0	0	112.5	F844 K853 H897 Y898 A930 Y932	F844-H889 AromaticContact CE1-CE1 3.71Å; F844-H889 AromaticContact CE1-ND1 3.66Å; F844-H889 AromaticContact CZ-CE1 3.44Å; F844-H889 VanDerWaalsContact CZ-CE1 3.44Å; F844-H889 WeakPolarHBondContact CZ-CE1 2.99Å; F844-H889 AromaticContact CZ-ND1 3.25Å; F844-H889 VanDerWaalsContact CZ-ND1 3.25Å; F844-H889 WeakPolarHBondContact CZ-ND1 3.31Å; K853-H889 PolarHBondContact NZ-ND1 2.88Å; K853-H889 PolarHBondContact NZ-O 2.91Å; H889-H897 WeakPolarHBondContact CA-O 3.47Å; H889-H897 PolarHBondContact CD2-O 3.19Å; H889-H897 VanDerWaalsContact CD2-O 3.29Å; H889-Y898 HydrophobicContact CB-CD1 3.77Å; H889-Y898 HydrophobicContact CB-CE1 3.65Å; H889-Y898 AromaticContact CD2-CD1 3.88Å; H889-Y898 AromaticContact CD2-CD2 3.77Å; H889-Y898 AromaticContact CD2-CE1 3.69Å; H889-Y898 AromaticContact CD2-CE2 3.58Å; H889-Y898 AromaticContact CD2-CG 3.92Å; H889-Y898 AromaticContact CD2-CZ 3.55Å; H889-Y898 AromaticContact CG-CE1 3.71Å; H889-Y898 AromaticContact CG-CZ 3.89Å; H889-Y898 AromaticContact NE2-CE2 3.93Å; H889-A930 PolarHBondContact N-O 3.17Å; H889-Y932 HydrophobicContact CB-CD1 4.36Å; H889-Y932 HydrophobicContact CB-CG 4.38Å
890	Y	87.9	Confident	87.8	Confident	97 Å²	97	27.5 Å²	27.5	38%	0.38	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	157.3	173.9	-54.9	-84.9	0	0	0	110.6	N888 G896 H897 T899 A930	N888-Y890 HydrophobicContact CB-CE2 3.86Å; Y890-G896 CarbonylContact O-C 3.56Å; Y890-G896 WeakPolarHBondContact O-CA 3.36Å; Y890-H897 PolarHBondContact N-O 3.18Å; Y890-H897 PolarHBondContact O-N 2.83Å; Y890-T899 HydrophobicContact CE2-CG2 4.06Å; Y890-A930 HydrophobicContact CD1-CB 3.82Å; Y890-A930 HydrophobicContact CE1-CB 3.39Å; Y890-A930 HydrophobicContact CE2-CB 4.23Å; Y890-A930 HydrophobicContact CG-CB 4.41Å
891	G	82.3	Confident	88	Confident	51 Å²	51	24.2 Å²	24.2	53%	0.526	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	68.8	-154.3	-175.2	0	0	0	0	0	114.1	K853	K853-G891 WeakPolarHBondContact CD-O 3.41Å; K853-G891 WeakPolarHBondContact CE-O 3.29Å; K853-G891 PolarHBondContact NZ-O 2.93Å
892	G	67.9	Low	88.1	Confident	23 Å²	23	24.2 Å²	24.2	24%	0.237	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	-178.6	-172	0	0	0	0	0	114.6	G894 G895 G896	G892-G894 PolarHBondContact O-N 2.93Å; G892-G895 PolarHBondContact N-O 3.24Å; G892-G895 CarbonylContact O-C 3.59Å; G892-G895 PolarHBondContact O-N 3.1Å; G892-G895 VanDerWaalsContact O-O 3.13Å; G892-G896 PolarHBondContact O-N 3.49Å
893	M	53.9	Low	88	Confident	35 Å²	35	25.4 Å²	25.4	17%	0.172	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	14.5	-169.8	-63	166.9	70.6	0	0	116.4	F844 Y846 R851	F844-M893 HydrophobicContact CB-CE 4.38Å; F844-M893 HydrophobicContact CB-SD 3.8Å; F844-M893 HydrophobicContact CD1-CG 3.33Å; F844-M893 HydrophobicContact CD1-SD 3.48Å; F844-M893 WeakPolarHBondContact CD1-SD 3.42Å; F844-M893 HydrophobicContact CE1-CG 3.46Å; F844-M893 VanDerWaalsContact CE1-CG 3.46Å; F844-M893 HydrophobicContact CE1-SD 4.25Å; F844-M893 HydrophobicContact CG-CG 4.1Å; F844-M893 HydrophobicContact CG-SD 3.88Å; F844-M893 HydrophobicContact CZ-CG 4.31Å; Y846-M893 HydrophobicContact CD1-CE 3.82Å; Y846-M893 HydrophobicContact CD2-CE 3.98Å; Y846-M893 HydrophobicContact CE1-CE 3.43Å; Y846-M893 VanDerWaalsContact CE1-CE 3.43Å; Y846-M893 HydrophobicContact CE2-CE 3.57Å; Y846-M893 HydrophobicContact CG-CE 4.08Å; R851-M893 HydrophobicContact CB-CB 4.05Å; R851-M893 HydrophobicContact CB-CE 4.18Å; R851-M893 HydrophobicContact CB-SD 3.82Å; R851-M893 HydrophobicContact CG-CE 4.12Å; R851-M893 HydrophobicContact CG-SD 4.42Å; R851-M893 PolarHBondContact NH1-O 3.32Å; R851-M893 VanDerWaalsContact NH1-O 3.11Å
894	G	53.6	Low	87.9	Confident	85 Å²	85	25.4 Å²	25.4	88%	0.876	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.7	3.5	167.9	0	0	0	0	0	113	G892	G892-G894 PolarHBondContact O-N 2.93Å
895	G	66.1	Low	87.5	Confident	45 Å²	45	27.6 Å²	27.6	46%	0.464	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	166.3	103.5	-172.8	0	0	0	0	0	110	G892	G892-G895 PolarHBondContact N-O 3.24Å; G892-G895 CarbonylContact O-C 3.59Å; G892-G895 PolarHBondContact O-N 3.1Å; G892-G895 VanDerWaalsContact O-O 3.13Å
896	G	81.8	Confident	87.1	Confident	14 Å²	14	33 Å²	33	14%	0.144	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	-178.1	179.4	0	0	0	0	0	111.9	Q381 Y890 G892	Q381-G896 PolarHBondContact NE2-O 3.31Å; Q381-G896 PolarHBondContact OE1-O 3.39Å; Y890-G896 CarbonylContact O-C 3.56Å; Y890-G896 WeakPolarHBondContact O-CA 3.36Å; G892-G896 PolarHBondContact O-N 3.49Å
897	H	91.4	Very high	86.7	Confident	56 Å²	56	35 Å²	35	26%	0.259	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	144.3	-177.6	-173.7	47	0	0	0	110.9	C301 H889 Y890 D914 D915	C301-H897 VanDerWaalsContact CB-CE1 3.46Å; C301-H897 WeakPolarHBondContact CB-CE1 3.44Å; C301-H897 WeakPolarHBondContact CB-ND1 3.22Å; C301-H897 PolarHBondContact SG-ND1 2.9Å; H889-H897 WeakPolarHBondContact CA-O 3.47Å; H889-H897 PolarHBondContact CD2-O 3.19Å; H889-H897 VanDerWaalsContact CD2-O 3.29Å; Y890-H897 PolarHBondContact N-O 3.18Å; Y890-H897 PolarHBondContact O-N 2.83Å; H897-D914 IonicContact CD2-OD1 3.77Å; H897-D914 IonicContact CE1-OD1 3.51Å; H897-D914 IonicContact NE2-OD1 2.71Å; H897-D914 PolarHBondContact NE2-OD1 2.9Å; H897-D915 IonicContact CE1-OD2 2.57Å; H897-D915 PolarHBondContact CE1-OD2 3.38Å
898	Y	95.9	Very high	86.4	Confident	9 Å²	9	36.7 Å²	36.7	4%	0.035	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.4	-179.3	-66.4	-97	0	0	0	111.1	F302 Q382 D383 S384 N888 H889 Y932	F302-Y898 HydrophobicContact CB-CD2 3.63Å; F302-Y898 HydrophobicContact CB-CE2 3.62Å; F302-Y898 HydrophobicContact CB-CG 4.21Å; Q382-Y898 WeakPolarHBondContact O-CE2 3.47Å; Q382-Y898 PolarHBondContact O-OH 3.39Å; D383-Y898 WeakPolarHBondContact CA-OH 3.5Å; S384-Y898 VanDerWaalsContact OG-CE1 3.29Å; S384-Y898 WeakPolarHBondContact OG-CE1 3.48Å; N888-Y898 VanDerWaalsContact O-CA 3.25Å; N888-Y898 WeakPolarHBondContact O-CA 3.35Å; N888-Y898 WeakPolarHBondContact O-CD1 3.16Å; H889-Y898 HydrophobicContact CB-CD1 3.77Å; H889-Y898 HydrophobicContact CB-CE1 3.65Å; H889-Y898 AromaticContact CD2-CD1 3.88Å; H889-Y898 AromaticContact CD2-CD2 3.77Å; H889-Y898 AromaticContact CD2-CE1 3.69Å; H889-Y898 AromaticContact CD2-CE2 3.58Å; H889-Y898 AromaticContact CD2-CG 3.92Å; H889-Y898 AromaticContact CD2-CZ 3.55Å; H889-Y898 AromaticContact CG-CE1 3.71Å; H889-Y898 AromaticContact CG-CZ 3.89Å; H889-Y898 AromaticContact NE2-CE2 3.93Å; Y898-Y932 AromaticContact CE1-CD1 3.93Å; Y898-Y932 HydrophobicContact CE1-CD1 3.93Å; Y898-Y932 HydrophobicContact CE1-CE1 4.14Å
899	T	97.4	Very high	86.3	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	172.8	169.5	75.3	0	0	0	0	109.1	S305 N888 Y890 N912 F913 D914	S305-T899 PolarHBondContact OG-O 3.22Å; N888-T899 PolarHBondContact N-O 2.93Å; N888-T899 PolarHBondContact ND2-OG1 2.83Å; N888-T899 PolarHBondContact O-N 3.48Å; Y890-T899 HydrophobicContact CE2-CG2 4.06Å; T899-N912 PolarHBondContact OG1-OD1 2.74Å; T899-F913 WeakPolarHBondContact CA-O 3.41Å; T899-F913 WeakPolarHBondContact CB-O 3.33Å; T899-D914 HydrophobicContact CG2-CB 3.98Å
900	A	98.5	Very high	86.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.6	169.9	0	0	0	0	0	111.3	Q308 V886 N912 F913	Q308-A900 HydrophobicContact CB-CB 3.85Å; V886-A900 CarbonylContact O-C 3.56Å; V886-A900 VanDerWaalsContact O-CA 3.27Å; V886-A900 WeakPolarHBondContact O-CA 3.41Å; A900-N912 WeakPolarHBondContact O-CA 3.41Å; A900-F913 HydrophobicContact CB-CB 4.47Å; A900-F913 PolarHBondContact N-O 3.21Å; A900-F913 PolarHBondContact O-N 2.93Å
901	Y	98.5	Very high	86.9	Confident	22 Å²	22	38.9 Å²	38.9	9%	0.086	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	135.1	154	-70.8	-66	0	0	0	108.2	A885 V886 N888 Y911 N912 A921 I926	A885-Y901 CarbonylContact C-O 3.52Å; A885-Y901 VanDerWaalsContact CA-O 3.25Å; A885-Y901 WeakPolarHBondContact CA-O 3.5Å; V886-Y901 PolarHBondContact N-O 2.91Å; V886-Y901 PolarHBondContact O-N 3.47Å; N888-Y901 WeakPolarHBondContact ND2-CD2 3.28Å; N888-Y901 WeakPolarHBondContact ND2-CE2 2.99Å; Y901-Y911 CarbonylContact C-O 3.58Å; Y901-Y911 WeakPolarHBondContact CA-O 3.42Å; Y901-N912 HydrophobicContact CD1-CB 3.92Å; Y901-N912 HydrophobicContact CE1-CB 3.69Å; Y901-A921 HydrophobicContact CD1-CB 3.72Å; Y901-A921 HydrophobicContact CE1-CB 3.58Å; Y901-I926 HydrophobicContact CD1-CG1 4.44Å; Y901-I926 HydrophobicContact CD2-CB 4.39Å; Y901-I926 HydrophobicContact CD2-CG1 4.33Å; Y901-I926 HydrophobicContact CD2-CG2 4.23Å; Y901-I926 HydrophobicContact CG-CG1 4.2Å
902	A	97.9	Very high	87.7	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	148.7	170.4	0	0	0	0	0	111.3	N312 I884 A885 W910 Y911 F913	N312-A902 HydrophobicContact CB-CB 3.8Å; N312-A902 WeakPolarHBondContact ND2-CB 3.27Å; I884-A902 WeakPolarHBondContact O-CA 3.13Å; A885-A902 HydrophobicContact CB-CB 4.11Å; A902-W910 WeakPolarHBondContact O-CA 3.49Å; A902-Y911 PolarHBondContact N-O 3.42Å; A902-Y911 PolarHBondContact O-N 3.29Å; A902-F913 HydrophobicContact CB-CD2 4.25Å; A902-F913 HydrophobicContact CB-CE2 3.77Å
903	K	96	Very high	89.1	Confident	64 Å²	64	36.9 Å²	36.9	28%	0.278	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	114.6	174.9	-169	-174.7	177.5	-167.8	0	108.4	I884 G908 K909 W910	I884-K903 PolarHBondContact O-N 3.39Å; K903-G908 WeakPolarHBondContact CE-O 3.43Å; K903-G908 WeakPolarHBondContact CG-O 3.47Å; K903-K909 CarbonylContact C-O 3.58Å; K903-K909 WeakPolarHBondContact CA-O 3.36Å; K903-W910 HydrophobicContact CB-CD2 3.95Å; K903-W910 HydrophobicContact CB-CE3 4.02Å; K903-W910 HydrophobicContact CB-CH2 4.08Å; K903-W910 HydrophobicContact CB-CZ2 4.03Å; K903-W910 HydrophobicContact CB-CZ3 4.09Å; K903-W910 HydrophobicContact CD-CZ2 4.4Å; K903-W910 HydrophobicContact CG-CD2 4.43Å
904	N	94.1	Very high	91.1	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	23%	0.225	C	C	.	.			trans	-71.3	132.9	179.1	-179.2	-90	0	0	0	110.1	S289 L291 E906 G908 K909 Y911	S289-N904 PolarHBondContact O-ND2 3.49Å; L291-N904 HydrophobicContact CD2-CB 3.98Å; N904-E906 PolarHBondContact O-N 3.17Å; N904-E906 VanDerWaalsContact OD1-CB 3.3Å; N904-E906 WeakPolarHBondContact OD1-CB 3.22Å; N904-E906 PolarHBondContact OD1-N 3.21Å; N904-G908 VanDerWaalsContact O-CA 3.26Å; N904-G908 WeakPolarHBondContact O-CA 3.27Å; N904-G908 PolarHBondContact O-N 2.71Å; N904-K909 PolarHBondContact N-O 3.43Å; N904-Y911 HydrophobicContact CB-CD2 3.97Å; N904-Y911 HydrophobicContact CB-CE2 4Å
905	K	89.5	Confident	93.1	Very high	68 Å²	68	35.1 Å²	35.1	30%	0.296	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-29.2	-175.8	75.3	173.9	-166.5	168.5	0	114.1	T314 E318 W353	T314-K905 HydrophobicContact CG2-CD 3.83Å; E318-K905 IonicContact OE1-NZ 3.6Å; E318-K905 PolarHBondContact OE1-NZ 2.89Å; W353-K905 HydrophobicContact CH2-CD 4.28Å; W353-K905 HydrophobicContact CH2-CG 3.86Å; W353-K905 HydrophobicContact CZ3-CD 4.17Å; W353-K905 HydrophobicContact CZ3-CG 3.85Å
906	E	88.5	Confident	94.4	Very high	114 Å²	114	35.8 Å²	35.8	53%	0.533	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-32	-171.3	-49.5	-68	151	0	0	112.7	W353 N904	W353-E906 HydrophobicContact CZ3-CG 4.07Å; W353-E906 WeakPolarHBondContact CZ3-OE1 3.47Å; N904-E906 PolarHBondContact O-N 3.17Å; N904-E906 VanDerWaalsContact OD1-CB 3.3Å; N904-E906 WeakPolarHBondContact OD1-CB 3.22Å; N904-E906 PolarHBondContact OD1-N 3.21Å
907	D	90.9	Very high	95	Very high	42 Å²	42	38.3 Å²	38.3	23%	0.225	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.6	5.1	179.9	95.2	-22.1	0	0	0	115.2	R288 K909	R288-D907 IonicContact CZ-OD2 2.71Å; R288-D907 IonicContact NH1-OD2 3.76Å; R288-D907 PolarHBondContact NH1-OD2 3.01Å; D907-K909 PolarHBondContact O-N 3.14Å; D907-K909 WeakPolarHBondContact OD1-CB 3.21Å; D907-K909 PolarHBondContact OD1-N 2.95Å; D907-K909 WeakPolarHBondContact OD2-CD 3.36Å; D907-K909 WeakPolarHBondContact OD2-CE 3.06Å; D907-K909 IonicContact OD2-NZ 2.73Å; D907-K909 PolarHBondContact OD2-NZ 3.36Å
908	G	90.6	Very high	95.2	Very high	37 Å²	37	37.7 Å²	37.7	38%	0.381	20%	0.202	S	C	.	.			trans	71.6	6.5	171.9	0	0	0	0	0	115.6	K903 N904	K903-G908 WeakPolarHBondContact CE-O 3.43Å; K903-G908 WeakPolarHBondContact CG-O 3.47Å; N904-G908 VanDerWaalsContact O-CA 3.26Å; N904-G908 WeakPolarHBondContact O-CA 3.27Å; N904-G908 PolarHBondContact O-N 2.71Å
909	K	95.3	Very high	95.2	Very high	114 Å²	114	39 Å²	39	50%	0.496	21%	0.213	S	C	.	.			trans	-97	157.9	-173.7	-64	171.9	-161.3	143.9	0	113.4	K903 N904 D907 Y911	K903-K909 CarbonylContact C-O 3.58Å; K903-K909 WeakPolarHBondContact CA-O 3.36Å; N904-K909 PolarHBondContact N-O 3.43Å; D907-K909 PolarHBondContact O-N 3.14Å; D907-K909 WeakPolarHBondContact OD1-CB 3.21Å; D907-K909 PolarHBondContact OD1-N 2.95Å; D907-K909 WeakPolarHBondContact OD2-CD 3.36Å; D907-K909 WeakPolarHBondContact OD2-CE 3.06Å; D907-K909 IonicContact OD2-NZ 2.73Å; D907-K909 PolarHBondContact OD2-NZ 3.36Å; K909-Y911 HydrophobicContact CB-CE2 3.91Å; K909-Y911 WeakPolarHBondContact O-CD2 3.48Å
910	W	97.7	Very high	95.1	Very high	10 Å²	10	44 Å²	44	4%	0.038	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	138.4	177	-72.1	100.6	0	0	0	112.5	L883 I884 A902 K903 A921 I926	L883-W910 HydrophobicContact CB-CH2 4.35Å; L883-W910 HydrophobicContact CB-CZ2 4.45Å; L883-W910 HydrophobicContact CD2-CH2 4.01Å; L883-W910 HydrophobicContact CD2-CZ2 4.38Å; L883-W910 HydrophobicContact CG-CH2 3.95Å; L883-W910 HydrophobicContact CG-CZ2 4.46Å; L883-W910 WeakPolarHBondContact O-CH2 3.43Å; L883-W910 WeakPolarHBondContact O-CZ2 3.29Å; I884-W910 WeakPolarHBondContact O-CZ3 3.19Å; A902-W910 WeakPolarHBondContact O-CA 3.49Å; K903-W910 HydrophobicContact CB-CD2 3.95Å; K903-W910 HydrophobicContact CB-CE3 4.02Å; K903-W910 HydrophobicContact CB-CH2 4.08Å; K903-W910 HydrophobicContact CB-CZ2 4.03Å; K903-W910 HydrophobicContact CB-CZ3 4.09Å; K903-W910 HydrophobicContact CD-CZ2 4.4Å; K903-W910 HydrophobicContact CG-CD2 4.43Å; W910-A921 HydrophobicContact CB-CB 4.18Å; W910-A921 PolarHBondContact O-N 3.49Å; W910-I926 HydrophobicContact CB-CD1 4.19Å; W910-I926 HydrophobicContact CD2-CD1 3.24Å; W910-I926 VanDerWaalsContact CE2-CD1 3.46Å; W910-I926 HydrophobicContact CE3-CD1 3.56Å; W910-I926 HydrophobicContact CG-CD1 3.54Å; W910-I926 HydrophobicContact CH2-CD1 4.24Å; W910-I926 HydrophobicContact CZ2-CD1 3.96Å; W910-I926 HydrophobicContact CZ3-CD1 4.05Å
911	Y	97.8	Very high	95	Very high	24 Å²	24	45 Å²	45	9%	0.094	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	142.7	177.2	-69.8	-90.3	0	0	0	110.4	L291 Y901 A902 N904 K909 V918 S919 P920	L291-Y911 HydrophobicContact CD1-CD1 4.39Å; L291-Y911 HydrophobicContact CD1-CE1 3.72Å; L291-Y911 HydrophobicContact CD1-CE2 4.13Å; L291-Y911 HydrophobicContact CD2-CD1 3.96Å; L291-Y911 HydrophobicContact CD2-CD2 3.56Å; L291-Y911 HydrophobicContact CD2-CE1 4.02Å; L291-Y911 HydrophobicContact CD2-CE2 3.64Å; L291-Y911 HydrophobicContact CD2-CG 3.73Å; Y901-Y911 CarbonylContact C-O 3.58Å; Y901-Y911 WeakPolarHBondContact CA-O 3.42Å; A902-Y911 PolarHBondContact N-O 3.42Å; A902-Y911 PolarHBondContact O-N 3.29Å; N904-Y911 HydrophobicContact CB-CD2 3.97Å; N904-Y911 HydrophobicContact CB-CE2 4Å; K909-Y911 HydrophobicContact CB-CE2 3.91Å; K909-Y911 WeakPolarHBondContact O-CD2 3.48Å; Y911-V918 HydrophobicContact CD1-CG1 4.17Å; Y911-S919 CarbonylContact C-O 3.55Å; Y911-S919 VanDerWaalsContact CA-O 3.3Å; Y911-S919 WeakPolarHBondContact CA-O 3.34Å; Y911-P920 HydrophobicContact CE1-CB 4.37Å; Y911-P920 HydrophobicContact CE1-CG 4.14Å
912	N	97.9	Very high	94.8	Very high	28 Å²	28	46.4 Å²	46.4	15%	0.15	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.9	168.3	175.1	56.7	0	0	0	109.6	T899 A900 Y901 V918 S919	T899-N912 PolarHBondContact OG1-OD1 2.74Å; A900-N912 WeakPolarHBondContact O-CA 3.41Å; Y901-N912 HydrophobicContact CD1-CB 3.92Å; Y901-N912 HydrophobicContact CE1-CB 3.69Å; N912-V918 WeakPolarHBondContact O-CA 3.32Å; N912-S919 PolarHBondContact N-O 2.84Å; N912-S919 PolarHBondContact ND2-OG 3.31Å; N912-S919 PolarHBondContact O-N 2.89Å; N912-S919 PolarHBondContact O-OG 3.34Å
913	F	97.8	Very high	94.5	Very high	3 Å²	3	49.6 Å²	49.6	1%	0.013	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	106.1	176.6	-60.3	-100	0	0	0	108.4	G290 L291 Q308 T899 A900 A902 S917 V918	G290-F913 WeakPolarHBondContact O-CE1 3.35Å; L291-F913 HydrophobicContact CD2-CZ 4.47Å; Q308-F913 HydrophobicContact CB-CB 4.27Å; Q308-F913 HydrophobicContact CB-CG 4.34Å; Q308-F913 VanDerWaalsContact CD-CD1 3.43Å; Q308-F913 HydrophobicContact CG-CB 3.83Å; Q308-F913 HydrophobicContact CG-CD1 4.14Å; Q308-F913 HydrophobicContact CG-CG 4.07Å; T899-F913 WeakPolarHBondContact CA-O 3.41Å; T899-F913 WeakPolarHBondContact CB-O 3.33Å; A900-F913 HydrophobicContact CB-CB 4.47Å; A900-F913 PolarHBondContact N-O 3.21Å; A900-F913 PolarHBondContact O-N 2.93Å; A902-F913 HydrophobicContact CB-CD2 4.25Å; A902-F913 HydrophobicContact CB-CE2 3.77Å; F913-S917 WeakPolarHBondContact CA-O 3.42Å; F913-V918 HydrophobicContact CD1-CB 4.43Å; F913-V918 HydrophobicContact CD1-CG1 4Å; F913-V918 HydrophobicContact CD1-CG2 3.7Å; F913-V918 HydrophobicContact CE1-CG1 3.77Å; F913-V918 HydrophobicContact CE1-CG2 3.96Å; F913-V918 HydrophobicContact CZ-CG1 4.19Å
914	D	96.1	Very high	94.2	Very high	61 Å²	61	53.7 Å²	53.7	33%	0.326	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	90.3	-179.6	-168.4	-8.5	0	0	0	108.7	H897 T899 S916 S917	H897-D914 IonicContact CD2-OD1 3.77Å; H897-D914 IonicContact CE1-OD1 3.51Å; H897-D914 IonicContact NE2-OD1 2.71Å; H897-D914 PolarHBondContact NE2-OD1 2.9Å; T899-D914 HydrophobicContact CG2-CB 3.98Å; D914-S916 PolarHBondContact O-N 2.95Å; D914-S916 VanDerWaalsContact O-N 3.11Å; D914-S917 PolarHBondContact N-O 2.99Å; D914-S917 WeakPolarHBondContact O-CB 3.47Å; D914-S917 PolarHBondContact O-N 3.07Å
915	D	96	Very high	94.1	Very high	22 Å²	22	58.3 Å²	58.3	12%	0.118	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.5	-112.8	-165	-71.5	-39.5	0	0	0	112	G293 L294 N296 C301 N304 H897 S917	G293-D915 CarbonylContact C-O 3.53Å; G293-D915 WeakPolarHBondContact CA-O 3.46Å; L294-D915 PolarHBondContact N-O 3.11Å; L294-D915 CarbonylContact O-C 3.58Å; L294-D915 WeakPolarHBondContact O-CA 3.33Å; L294-D915 WeakPolarHBondContact O-CB 3.41Å; N296-D915 HydrophobicContact CB-CB 4.31Å; N296-D915 WeakPolarHBondContact CB-OD2 3.47Å; N296-D915 PolarHBondContact ND2-OD2 2.94Å; C301-D915 WeakPolarHBondContact CA-OD1 3.48Å; C301-D915 WeakPolarHBondContact CB-OD1 3.27Å; N304-D915 PolarHBondContact ND2-OD1 2.87Å; H897-D915 IonicContact CE1-OD2 2.57Å; H897-D915 PolarHBondContact CE1-OD2 3.38Å; D915-S917 VanDerWaalsContact C-N 3.28Å; D915-S917 PolarHBondContact O-N 3.43Å
916	S	93.6	Very high	94.3	Very high	59 Å²	59	55 Å²	55	41%	0.413	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-3.1	-179.4	54.2	0	0	0	0	114.3	L294 D914	L294-S916 PolarHBondContact O-N 3.3Å; D914-S916 PolarHBondContact O-N 2.95Å; D914-S916 VanDerWaalsContact O-N 3.11Å
917	S	93	Very high	94.6	Very high	68 Å²	68	51.5 Å²	51.5	48%	0.476	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	133.6	178.4	-161.2	0	0	0	0	111.3	F913 D914 D915	F913-S917 WeakPolarHBondContact CA-O 3.42Å; D914-S917 PolarHBondContact N-O 2.99Å; D914-S917 WeakPolarHBondContact O-CB 3.47Å; D914-S917 PolarHBondContact O-N 3.07Å; D915-S917 VanDerWaalsContact C-N 3.28Å; D915-S917 PolarHBondContact O-N 3.43Å
918	V	96.8	Very high	94.7	Very high	42 Å²	42	50.8 Å²	50.8	26%	0.255	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.6	172.5	-172.1	0	0	0	0	108.1	L291 Y911 N912 F913	L291-V918 HydrophobicContact CB-CG1 4.41Å; Y911-V918 HydrophobicContact CD1-CG1 4.17Å; N912-V918 WeakPolarHBondContact O-CA 3.32Å; F913-V918 HydrophobicContact CD1-CB 4.43Å; F913-V918 HydrophobicContact CD1-CG1 4Å; F913-V918 HydrophobicContact CD1-CG2 3.7Å; F913-V918 HydrophobicContact CE1-CG1 3.77Å; F913-V918 HydrophobicContact CE1-CG2 3.96Å; F913-V918 HydrophobicContact CZ-CG1 4.19Å
919	S	95.1	Very high	94.8	Very high	38 Å²	38	52.4 Å²	52.4	27%	0.266	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	142.9	-174.5	47.7	0	0	0	0	111.1	Y911 N912	Y911-S919 CarbonylContact C-O 3.55Å; Y911-S919 VanDerWaalsContact CA-O 3.3Å; Y911-S919 WeakPolarHBondContact CA-O 3.34Å; N912-S919 PolarHBondContact N-O 2.84Å; N912-S919 PolarHBondContact ND2-OG 3.31Å; N912-S919 PolarHBondContact O-N 2.89Å; N912-S919 PolarHBondContact O-OG 3.34Å
920	P	96.2	Very high	94.7	Very high	108 Å²	108	47.3 Å²	47.3	70%	0.701	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	144.2	174.3	-20.9	32.8	0	0	0	111.7	Y911	Y911-P920 HydrophobicContact CE1-CB 4.37Å; Y911-P920 HydrophobicContact CE1-CG 4.14Å
921	A	95.8	Very high	94.5	Very high	19 Å²	19	46.9 Å²	46.9	16%	0.157	27%	0.272	C	S	.	.			trans	-125.7	151	178.2	0	0	0	0	0	111.4	Y901 W910	Y901-A921 HydrophobicContact CD1-CB 3.72Å; Y901-A921 HydrophobicContact CE1-CB 3.58Å; W910-A921 HydrophobicContact CB-CB 4.18Å; W910-A921 PolarHBondContact O-N 3.49Å
922	S	93.8	Very high	94.5	Very high	53 Å²	53	45.8 Å²	45.8	37%	0.371	27%	0.267	S	S	.	.			trans	-99.1	154.5	168.9	75.5	0	0	0	0	111.4	D924 Q925	S922-D924 PolarHBondContact O-N 2.81Å; S922-Q925 WeakPolarHBondContact O-CB 3.45Å; S922-Q925 PolarHBondContact O-N 2.96Å
923	E	92.3	Very high	94.5	Very high	67 Å²	67	44.5 Å²	44.5	31%	0.313	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-58.8	-34	-177.9	-74.4	-173.6	-171.9	0	0	112.8	L862 R863 Q925 I926	L862-E923 HydrophobicContact CD2-CB 3.54Å; L862-E923 HydrophobicContact CD2-CG 3.64Å; R863-E923 IonicContact CZ-OE1 2.76Å; R863-E923 IonicContact CZ-OE2 3.26Å; R863-E923 IonicContact NH1-OE1 3.5Å; R863-E923 PolarHBondContact NH1-OE1 2.9Å; R863-E923 IonicContact NH1-OE2 3.58Å; R863-E923 PolarHBondContact NH1-OE2 2.85Å; R863-E923 IonicContact NH2-OE1 2.68Å; R863-E923 PolarHBondContact NH2-OE1 3.48Å; R863-E923 IonicContact NH2-OE2 3.02Å; E923-Q925 PolarHBondContact O-N 2.72Å; E923-Q925 VanDerWaalsContact O-N 3.13Å; E923-I926 HydrophobicContact CG-CD1 4.47Å; E923-I926 PolarHBondContact O-N 2.96Å
924	D	90.7	Very high	94.5	Very high	150 Å²	150	44.3 Å²	44.3	80%	0.802	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-61.5	-19.1	176.4	-46.9	-81.5	0	0	0	114.2	S922	S922-D924 PolarHBondContact O-N 2.81Å
925	Q	90.4	Very high	94.6	Very high	97 Å²	97	41.5 Å²	41.5	45%	0.453	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-87.7	-19	-178.6	-61.3	175.5	-53.8	0	0	112.9	S922 E923	S922-Q925 WeakPolarHBondContact O-CB 3.45Å; S922-Q925 PolarHBondContact O-N 2.96Å; E923-Q925 PolarHBondContact O-N 2.72Å; E923-Q925 VanDerWaalsContact O-N 3.13Å
926	I	94.1	Very high	94.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-45.4	-168	-54.8	174.8	0	0	0	111.1	F860 L862 L883 V886 Y901 W910 E923 S928	F860-I926 HydrophobicContact CE2-CG2 4.2Å; F860-I926 WeakPolarHBondContact CZ-O 3.48Å; L862-I926 HydrophobicContact CD2-CD1 3.94Å; L883-I926 HydrophobicContact CD2-CG2 3.95Å; V886-I926 HydrophobicContact CG2-CG2 3.81Å; Y901-I926 HydrophobicContact CD1-CG1 4.44Å; Y901-I926 HydrophobicContact CD2-CB 4.39Å; Y901-I926 HydrophobicContact CD2-CG1 4.33Å; Y901-I926 HydrophobicContact CD2-CG2 4.23Å; Y901-I926 HydrophobicContact CG-CG1 4.2Å; W910-I926 HydrophobicContact CB-CD1 4.19Å; W910-I926 HydrophobicContact CD2-CD1 3.24Å; W910-I926 VanDerWaalsContact CE2-CD1 3.46Å; W910-I926 HydrophobicContact CE3-CD1 3.56Å; W910-I926 HydrophobicContact CG-CD1 3.54Å; W910-I926 HydrophobicContact CH2-CD1 4.24Å; W910-I926 HydrophobicContact CZ2-CD1 3.96Å; W910-I926 HydrophobicContact CZ3-CD1 4.05Å; E923-I926 HydrophobicContact CG-CD1 4.47Å; E923-I926 PolarHBondContact O-N 2.96Å; I926-S928 PolarHBondContact O-N 2.82Å
927	V	95	Very high	94.8	Very high	39 Å²	39	38.4 Å²	38.4	24%	0.236	22%	0.223	C	C	.	.	S	Bend	trans	-77	87.5	-178.7	-175.7	0	0	0	0	109.9	F860 L862	F860-V927 HydrophobicContact CD1-CG1 4.45Å; F860-V927 HydrophobicContact CD2-CG2 4.19Å; F860-V927 HydrophobicContact CE1-CG1 4.36Å; F860-V927 HydrophobicContact CE2-CG2 4Å; F860-V927 HydrophobicContact CZ-CB 4.46Å; F860-V927 HydrophobicContact CZ-CG2 4.33Å; F860-V927 WeakPolarHBondContact O-CG2 3.19Å; L862-V927 HydrophobicContact CD1-CG2 3.55Å; L862-V927 HydrophobicContact CG-CG2 4.49Å
928	S	93.5	Very high	94.8	Very high	27 Å²	27	36.4 Å²	36.4	19%	0.189	21%	0.205	C	C	.	.	S	Bend	trans	-130.9	167.4	-173	81.4	0	0	0	0	113.1	L857 I926 A930 G931	L857-S928 VanDerWaalsContact CD1-C 3.43Å; I926-S928 PolarHBondContact O-N 2.82Å; S928-A930 PolarHBondContact O-N 2.99Å; S928-A930 PolarHBondContact OG-N 2.8Å; S928-A930 VanDerWaalsContact OG-N 3.14Å; S928-G931 PolarHBondContact O-N 2.96Å
929	K	91.3	Very high	94.4	Very high	71 Å²	71	37.6 Å²	37.6	31%	0.309	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.3	170.6	-70.6	176.2	159	-85.4	0	113.3	D855 L857	D855-K929 WeakPolarHBondContact O-CD 3.37Å; D855-K929 VanDerWaalsContact O-CG 3.25Å; D855-K929 WeakPolarHBondContact O-CG 3.36Å; D855-K929 PolarHBondContact O-NZ 3.3Å; D855-K929 IonicContact OD1-NZ 3.59Å; D855-K929 PolarHBondContact OD1-NZ 2.84Å; D855-K929 IonicContact OD2-NZ 2.96Å; D855-K929 PolarHBondContact OD2-NZ 2.92Å; L857-K929 HydrophobicContact CB-CG 4.21Å; L857-K929 HydrophobicContact CD1-CG 4.35Å
930	A	93.6	Very high	93.9	Very high	8 Å²	8	39.2 Å²	39.2	7%	0.066	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-26.1	-177.8	0	0	0	0	0	112.7	N888 H889 Y890 S928 Y932	N888-A930 CarbonylContact C-O 3.57Å; N888-A930 WeakPolarHBondContact CA-O 3.1Å; N888-A930 HydrophobicContact CB-CB 4.04Å; H889-A930 PolarHBondContact N-O 3.17Å; Y890-A930 HydrophobicContact CD1-CB 3.82Å; Y890-A930 HydrophobicContact CE1-CB 3.39Å; Y890-A930 HydrophobicContact CE2-CB 4.23Å; Y890-A930 HydrophobicContact CG-CB 4.41Å; S928-A930 PolarHBondContact O-N 2.99Å; S928-A930 PolarHBondContact OG-N 2.8Å; S928-A930 VanDerWaalsContact OG-N 3.14Å; A930-Y932 PolarHBondContact O-N 2.86Å
931	G	94.8	Very high	93	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	123.1	179.8	0	0	0	0	0	111.6	R843 S928	R843-G931 VanDerWaalsContact CZ-O 3.28Å; R843-G931 PolarHBondContact NE-O 3.48Å; R843-G931 PolarHBondContact NH2-O 2.8Å; S928-G931 PolarHBondContact O-N 2.96Å
932	Y	95.9	Very high	91.9	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	-44.1	-164.5	178.1	-127	0	0	0	113.1	D383 H385 H840 L841 R843 F844 S887 H889 Y898 A930	D383-Y932 WeakPolarHBondContact OD1-CE1 3.45Å; D383-Y932 PolarHBondContact OD1-OH 3.27Å; D383-Y932 PolarHBondContact OD2-OH 3.1Å; H385-Y932 HydrophobicContact CB-CE1 4.31Å; H840-Y932 AromaticContact CD2-CE2 3.46Å; H840-Y932 VanDerWaalsContact CD2-CE2 3.46Å; H840-Y932 WeakPolarHBondContact CD2-CE2 3.24Å; H840-Y932 AromaticContact CD2-CZ 3.63Å; H840-Y932 AromaticContact NE2-CE2 3.33Å; H840-Y932 VanDerWaalsContact NE2-CE2 3.33Å; H840-Y932 WeakPolarHBondContact NE2-CE2 3.16Å; H840-Y932 AromaticContact NE2-CZ 3.41Å; H840-Y932 PolarHBondContact NE2-OH 3.43Å; L841-Y932 PolarHBondContact N-O 2.72Å; L841-Y932 WeakPolarHBondContact O-CD2 3.4Å; L841-Y932 VanDerWaalsContact O-CE2 3.23Å; L841-Y932 WeakPolarHBondContact O-CE2 3.21Å; R843-Y932 HydrophobicContact CB-CD2 4.26Å; R843-Y932 HydrophobicContact CB-CE2 4.31Å; R843-Y932 HydrophobicContact CG-CD2 4.18Å; F844-Y932 HydrophobicContact CD2-CE2 4.14Å; F844-Y932 AromaticContact CD2-CZ 3.86Å; F844-Y932 WeakPolarHBondContact CD2-OH 3.08Å; F844-Y932 HydrophobicContact CE2-CE1 4.03Å; F844-Y932 HydrophobicContact CE2-CE2 4.1Å; F844-Y932 AromaticContact CE2-CZ 3.63Å; S887-Y932 WeakPolarHBondContact O-CA 3.14Å; S887-Y932 WeakPolarHBondContact O-CB 3.42Å; S887-Y932 PolarHBondContact O-N 3.3Å; H889-Y932 HydrophobicContact CB-CD1 4.36Å; H889-Y932 HydrophobicContact CB-CG 4.38Å; Y898-Y932 AromaticContact CE1-CD1 3.93Å; Y898-Y932 HydrophobicContact CE1-CD1 3.93Å; Y898-Y932 HydrophobicContact CE1-CE1 4.14Å; A930-Y932 PolarHBondContact O-N 2.86Å
933	V	98.1	Very high	90.2	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.9	165.9	-170.5	0	0	0	0	108.5	H385 L388 V838 V839 H840 V886 S887 F935	H385-V933 HydrophobicContact CB-CG2 4.16Å; L388-V933 HydrophobicContact CD2-CG1 3.91Å; V838-V933 HydrophobicContact CG1-CG1 3.71Å; V839-V933 WeakPolarHBondContact O-CA 3.37Å; H840-V933 HydrophobicContact CB-CG1 4.41Å; H840-V933 HydrophobicContact CB-CG2 4.2Å; V886-V933 CarbonylContact C-O 3.58Å; V886-V933 WeakPolarHBondContact CA-O 3.46Å; S887-V933 PolarHBondContact N-O 2.86Å; S887-V933 PolarHBondContact O-N 3.26Å; V933-F935 HydrophobicContact CB-CE2 4.26Å; V933-F935 HydrophobicContact CG1-CD2 4.39Å; V933-F935 HydrophobicContact CG1-CE2 3.79Å; V933-F935 HydrophobicContact CG1-CZ 4.29Å
934	L	98.3	Very high	88.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	142.6	179.9	-43.9	177.1	0	0	0	109.1	L794 V839 L841 F860 L883 V886 Y936	L794-L934 HydrophobicContact CD1-CD1 4.04Å; L794-L934 HydrophobicContact CD2-CD1 4.2Å; V839-L934 HydrophobicContact CB-CB 4.31Å; V839-L934 PolarHBondContact N-O 3.08Å; V839-L934 PolarHBondContact O-N 3.24Å; L841-L934 HydrophobicContact CD1-CD1 4.46Å; F860-L934 HydrophobicContact CB-CD1 3.62Å; F860-L934 HydrophobicContact CD1-CD1 3.93Å; F860-L934 HydrophobicContact CD1-CD2 4.01Å; F860-L934 HydrophobicContact CD2-CD1 4.01Å; F860-L934 HydrophobicContact CD2-CD2 3.92Å; F860-L934 HydrophobicContact CE1-CD2 3.84Å; F860-L934 HydrophobicContact CE2-CD2 3.75Å; F860-L934 HydrophobicContact CG-CD1 3.6Å; F860-L934 HydrophobicContact CG-CD2 4.05Å; F860-L934 HydrophobicContact CG-CG 4.5Å; F860-L934 HydrophobicContact CZ-CD2 3.7Å; L883-L934 HydrophobicContact CD1-CB 4.03Å; V886-L934 HydrophobicContact CB-CD2 4.49Å; V886-L934 HydrophobicContact CG1-CD2 3.95Å; V886-L934 HydrophobicContact CG2-CD2 3.9Å; L934-Y936 HydrophobicContact CB-CD2 4.14Å; L934-Y936 HydrophobicContact CB-CE2 3.82Å; L934-Y936 HydrophobicContact CD1-CE2 3.98Å
935	F	98.3	Very high	86.6	Confident	1 Å²	1	33.6 Å²	33.6	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.1	176.9	-68.2	-107.3	0	0	0	109	C309 L310 I313 L388 V838 I884 A885 V933	C309-F935 HydrophobicContact CB-CD1 4.49Å; C309-F935 HydrophobicContact CB-CD2 3.74Å; C309-F935 HydrophobicContact CB-CE1 4.11Å; C309-F935 HydrophobicContact CB-CE2 3.3Å; C309-F935 HydrophobicContact CB-CG 4.32Å; C309-F935 HydrophobicContact CB-CZ 3.5Å; C309-F935 VanDerWaalsContact CB-CZ 3.5Å; L310-F935 HydrophobicContact CD2-CE1 4.2Å; I313-F935 HydrophobicContact CD1-CD1 3.81Å; I313-F935 HydrophobicContact CD1-CE1 4.07Å; L388-F935 HydrophobicContact CD1-CE1 4.26Å; L388-F935 HydrophobicContact CD1-CZ 3.93Å; L388-F935 HydrophobicContact CD2-CE1 4.22Å; L388-F935 HydrophobicContact CD2-CE2 4.33Å; L388-F935 HydrophobicContact CD2-CZ 3.53Å; L388-F935 HydrophobicContact CG-CZ 4.4Å; V838-F935 HydrophobicContact CG1-CE1 4.28Å; V838-F935 HydrophobicContact CG1-CZ 4.38Å; V838-F935 HydrophobicContact CG2-CD1 3.73Å; V838-F935 HydrophobicContact CG2-CE1 3.75Å; I884-F935 HydrophobicContact CD1-CB 4.45Å; I884-F935 HydrophobicContact CG1-CB 3.95Å; I884-F935 VanDerWaalsContact CG1-O 3.3Å; I884-F935 WeakPolarHBondContact CG1-O 3.28Å; I884-F935 PolarHBondContact N-O 3.26Å; A885-F935 HydrophobicContact CB-CB 4.03Å; A885-F935 HydrophobicContact CB-CD2 4.21Å; A885-F935 HydrophobicContact CB-CG 4.28Å; A885-F935 PolarHBondContact N-O 2.8Å; A885-F935 PolarHBondContact O-N 3.31Å; V933-F935 HydrophobicContact CB-CE2 4.26Å; V933-F935 HydrophobicContact CG1-CD2 4.39Å; V933-F935 HydrophobicContact CG1-CE2 3.79Å; V933-F935 HydrophobicContact CG1-CZ 4.29Å
936	Y	97.6	Very high	84.8	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	131.7	-173	-85.5	-77.2	0	0	0	110.5	L794 V836 L837 V839 P861 L865 D882 L883 L934	L794-Y936 HydrophobicContact CD2-CE2 4.04Å; V836-Y936 CarbonylContact C-O 3.54Å; V836-Y936 VanDerWaalsContact CA-O 3.27Å; V836-Y936 WeakPolarHBondContact CA-O 3.24Å; L837-Y936 PolarHBondContact N-O 3.13Å; L837-Y936 PolarHBondContact O-N 3.47Å; V839-Y936 HydrophobicContact CG2-CD2 4.32Å; P861-Y936 WeakPolarHBondContact O-CE1 3.5Å; P861-Y936 PolarHBondContact O-OH 2.64Å; L865-Y936 HydrophobicContact CB-CD1 4.31Å; L865-Y936 HydrophobicContact CB-CE1 3.95Å; L865-Y936 HydrophobicContact CD2-CD1 3.9Å; L865-Y936 HydrophobicContact CD2-CD2 4Å; L865-Y936 HydrophobicContact CD2-CE1 3.66Å; L865-Y936 HydrophobicContact CD2-CE2 3.75Å; L865-Y936 HydrophobicContact CD2-CG 4.07Å; L865-Y936 HydrophobicContact CG-CE1 4.45Å; D882-Y936 CarbonylContact O-C 3.58Å; D882-Y936 VanDerWaalsContact O-CA 3.3Å; D882-Y936 WeakPolarHBondContact O-CA 3.33Å; L883-Y936 HydrophobicContact CB-CD1 4.15Å; L883-Y936 HydrophobicContact CB-CE1 3.75Å; L883-Y936 HydrophobicContact CD1-CD1 4.25Å; L883-Y936 HydrophobicContact CD1-CD2 4.06Å; L883-Y936 HydrophobicContact CD1-CE1 3.87Å; L883-Y936 HydrophobicContact CD1-CE2 3.67Å; L883-Y936 HydrophobicContact CD1-CG 4.33Å; L883-Y936 HydrophobicContact CG-CE1 4.42Å; L934-Y936 HydrophobicContact CB-CD2 4.14Å; L934-Y936 HydrophobicContact CB-CE2 3.82Å; L934-Y936 HydrophobicContact CD1-CE2 3.98Å
937	Q	95.3	Very high	83.2	Confident	16 Å²	16	34.4 Å²	34.4	8%	0.075	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	134.4	174.2	-176.3	76.9	54.4	0	0	109.9	P835 V836 Y881 D882 I884 T941 V942	P835-Q937 CarbonylContact O-C 3.52Å; P835-Q937 WeakPolarHBondContact O-CA 3.29Å; V836-Q937 VanDerWaalsContact CG2-OE1 3.27Å; Y881-Q937 CarbonylContact C-O 3.12Å; Y881-Q937 VanDerWaalsContact CA-O 3.26Å; Y881-Q937 WeakPolarHBondContact CA-O 3.22Å; Y881-Q937 VanDerWaalsContact CD1-C 3.42Å; D882-Q937 PolarHBondContact N-O 2.76Å; D882-Q937 PolarHBondContact O-N 3.3Å; I884-Q937 HydrophobicContact CD1-CB 4.32Å; I884-Q937 HydrophobicContact CG2-CB 3.84Å; Q937-T941 PolarHBondContact NE2-O 3.33Å; Q937-T941 VanDerWaalsContact NE2-O 3.09Å; Q937-T941 PolarHBondContact NE2-OG1 3.01Å; Q937-V942 HydrophobicContact CG-CG2 4.2Å
938	R	93.1	Very high	82	Confident	26 Å²	26	33.2 Å²	33.2	10%	0.098	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	130.7	177.6	-137.6	174.5	68.4	-144.7	-2.4	109.8	L833 P835 R880 Y881 D940 T941	L833-R938 PolarHBondContact O-NH1 2.86Å; L833-R938 VanDerWaalsContact O-NH1 3.13Å; P835-R938 PolarHBondContact O-N 2.9Å; R880-R938 CarbonylContact O-C 3.6Å; R880-R938 WeakPolarHBondContact O-CA 3.35Å; R880-R938 WeakPolarHBondContact O-CG 3.48Å; Y881-R938 HydrophobicContact CD1-CB 3.92Å; Y881-R938 HydrophobicContact CD1-CG 4.04Å; Y881-R938 VanDerWaalsContact CD1-N 3.34Å; Y881-R938 HydrophobicContact CD2-CG 4.18Å; Y881-R938 HydrophobicContact CE1-CB 3.58Å; Y881-R938 HydrophobicContact CE1-CG 3.62Å; Y881-R938 HydrophobicContact CE2-CG 3.78Å; Y881-R938 HydrophobicContact CG-CG 4.29Å; Y881-R938 VanDerWaalsContact CZ-CG 3.46Å; Y881-R938 WeakPolarHBondContact OH-CD 3.37Å; R938-D940 WeakPolarHBondContact CB-OD1 3.48Å; R938-D940 WeakPolarHBondContact CD-OD1 3.47Å; R938-D940 WeakPolarHBondContact CG-OD1 3.41Å; R938-D940 IonicContact CZ-OD1 3.05Å; R938-D940 IonicContact CZ-OD2 3.19Å; R938-D940 VanDerWaalsContact CZ-OD2 3.26Å; R938-D940 VanDerWaalsContact NE-CG 3.32Å; R938-D940 IonicContact NE-OD1 3.72Å; R938-D940 PolarHBondContact NE-OD1 3.05Å; R938-D940 IonicContact NE-OD2 2.68Å; R938-D940 PolarHBondContact NE-OD2 3.09Å; R938-D940 IonicContact NH2-OD1 2.76Å; R938-D940 IonicContact NH2-OD2 3.36Å; R938-D940 PolarHBondContact NH2-OD2 3.25Å; R938-D940 PolarHBondContact O-N 3.01Å; R938-T941 HydrophobicContact CB-CG2 4.07Å; R938-T941 WeakPolarHBondContact CB-OG1 3.42Å; R938-T941 PolarHBondContact O-N 3.06Å; R938-T941 PolarHBondContact O-OG1 3.01Å
939	Q	89.5	Confident	80.4	Confident	68 Å²	68	34.4 Å²	34.4	32%	0.318	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-62.6	-27.3	-170.3	-70.4	176.3	-12.9	0	0	113.4	D864 R880 D882 T941	D864-Q939 PolarHBondContact OD1-NE2 2.9Å; R880-Q939 HydrophobicContact CB-CB 4.43Å; R880-Q939 HydrophobicContact CB-CG 4.13Å; R880-Q939 PolarHBondContact O-N 3.14Å; D882-Q939 PolarHBondContact OD1-NE2 3.12Å; Q939-T941 VanDerWaalsContact C-N 3.3Å
940	D	83.3	Confident	78.8	Confident	71 Å²	71	31.8 Å²	31.8	38%	0.38	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-85.8	9.2	175.4	65.1	-50.1	0	0	0	114.1	R938	R938-D940 WeakPolarHBondContact CB-OD1 3.48Å; R938-D940 WeakPolarHBondContact CD-OD1 3.47Å; R938-D940 WeakPolarHBondContact CG-OD1 3.41Å; R938-D940 IonicContact CZ-OD1 3.05Å; R938-D940 IonicContact CZ-OD2 3.19Å; R938-D940 VanDerWaalsContact CZ-OD2 3.26Å; R938-D940 VanDerWaalsContact NE-CG 3.32Å; R938-D940 IonicContact NE-OD1 3.72Å; R938-D940 PolarHBondContact NE-OD1 3.05Å; R938-D940 IonicContact NE-OD2 2.68Å; R938-D940 PolarHBondContact NE-OD2 3.09Å; R938-D940 IonicContact NH2-OD1 2.76Å; R938-D940 IonicContact NH2-OD2 3.36Å; R938-D940 PolarHBondContact NH2-OD2 3.25Å; R938-D940 PolarHBondContact O-N 3.01Å
941	T	79.1	Confident	77.2	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-132.9	27	-178.3	65.8	0	0	0	0	111.9	P835 Q937 R938 Q939 Y947 F948	P835-T941 HydrophobicContact CB-CG2 4Å; P835-T941 HydrophobicContact CG-CG2 4.17Å; Q937-T941 PolarHBondContact NE2-O 3.33Å; Q937-T941 VanDerWaalsContact NE2-O 3.09Å; Q937-T941 PolarHBondContact NE2-OG1 3.01Å; R938-T941 HydrophobicContact CB-CG2 4.07Å; R938-T941 WeakPolarHBondContact CB-OG1 3.42Å; R938-T941 PolarHBondContact O-N 3.06Å; R938-T941 PolarHBondContact O-OG1 3.01Å; Q939-T941 VanDerWaalsContact C-N 3.3Å; T941-Y947 HydrophobicContact CG2-CD1 3.89Å; T941-Y947 HydrophobicContact CG2-CD2 3.77Å; T941-Y947 HydrophobicContact CG2-CE1 3.96Å; T941-Y947 HydrophobicContact CG2-CE2 3.81Å; T941-Y947 HydrophobicContact CG2-CG 3.81Å; T941-F948 WeakPolarHBondContact O-CE2 3.46Å
942	V	71.1	Confident	75.5	Confident	74 Å²	74	37.2 Å²	37.2	45%	0.448	20%	0.202	S	C	.	.	S	Bend	trans	-87.2	152	175.2	-177.8	0	0	0	0	108.4	Q937 G944 T945	Q937-V942 HydrophobicContact CG-CG2 4.2Å; V942-G944 PolarHBondContact O-N 2.86Å; V942-T945 WeakPolarHBondContact O-CB 3.34Å; V942-T945 WeakPolarHBondContact O-CG2 3.37Å; V942-T945 PolarHBondContact O-N 3.17Å; V942-T945 PolarHBondContact O-OG1 3.01Å
943	K	58.5	Low	73.9	Confident	86 Å²	86	40.8 Å²	40.8	37%	0.374	22%	0.219	S	C	.	.	S	Bend	trans	-48.3	136.8	176.7	-179	166.9	-174.1	146.2	0	112.2	E318 D951 E954	E318-K943 IonicContact OE1-NZ 2.72Å; E318-K943 IonicContact OE2-NZ 3.62Å; E318-K943 PolarHBondContact OE2-NZ 2.78Å; K943-D951 WeakPolarHBondContact CA-OD1 3.27Å; K943-E954 WeakPolarHBondContact CE-OE2 3.38Å; K943-E954 IonicContact NZ-OE1 3.51Å; K943-E954 PolarHBondContact NZ-OE1 3.13Å; K943-E954 IonicContact NZ-OE2 3.38Å; K943-E954 PolarHBondContact NZ-OE2 3.48Å
944	G	52.5	Low	72.1	Confident	53 Å²	53	42.4 Å²	42.4	55%	0.546	23%	0.227	S	C	.	.	S	Bend	trans	78.2	41.9	-171.8	0	0	0	0	0	113.2	V942	V942-G944 PolarHBondContact O-N 2.86Å
945	T	54.5	Low	70.3	Confident	67 Å²	67	45.9 Å²	45.9	41%	0.411	24%	0.243	S	C	.	.	S	Bend	trans	-130.5	9.5	172.2	55.2	0	0	0	0	112.4	V942 Y947	V942-T945 WeakPolarHBondContact O-CB 3.34Å; V942-T945 WeakPolarHBondContact O-CG2 3.37Å; V942-T945 PolarHBondContact O-N 3.17Å; V942-T945 PolarHBondContact O-OG1 3.01Å; T945-Y947 PolarHBondContact O-N 3.39Å
946	G	52.7	Low	68.6	Low	16 Å²	16	51.5 Å²	51.5	17%	0.165	27%	0.269	C	S	.	.	S	Bend	trans	55.4	10.2	-171.4	0	0	0	0	0	115.9	R952 E955	G946-R952 WeakPolarHBondContact O-CG 3.49Å; G946-R952 PolarHBondContact O-NH1 3.14Å; G946-E955 PolarHBondContact N-OE1 3.47Å
947	Y	61.7	Low	66.9	Low	98 Å²	98	56.9 Å²	56.9	38%	0.384	29%	0.294	S	S	.	.			trans	-74.1	-48.5	-170.6	-175.2	-84.9	0	0	0	112	P835 T941 T945	P835-Y947 HydrophobicContact CB-CE1 4.39Å; P835-Y947 HydrophobicContact CG-CD1 4.33Å; P835-Y947 HydrophobicContact CG-CE1 3.42Å; P835-Y947 VanDerWaalsContact CG-CE1 3.42Å; T941-Y947 HydrophobicContact CG2-CD1 3.89Å; T941-Y947 HydrophobicContact CG2-CD2 3.77Å; T941-Y947 HydrophobicContact CG2-CE1 3.96Å; T941-Y947 HydrophobicContact CG2-CE2 3.81Å; T941-Y947 HydrophobicContact CG2-CG 3.81Å; T945-Y947 PolarHBondContact O-N 3.39Å
948	F	69.3	Low	65.4	Low	14 Å²	14	62.6 Å²	62.6	6%	0.061	32%	0.321	C	S	.	.	S	Bend	trans	-83.7	147.5	171.5	-61.6	-77.1	0	0	0	109.6	P315 I440 P835 T941 L950 D951 R952	P315-F948 HydrophobicContact CB-CD2 4.05Å; P315-F948 HydrophobicContact CB-CE1 4.27Å; P315-F948 HydrophobicContact CB-CE2 3.78Å; P315-F948 HydrophobicContact CB-CG 4.41Å; P315-F948 HydrophobicContact CB-CZ 3.89Å; P315-F948 HydrophobicContact CG-CD2 3.99Å; P315-F948 HydrophobicContact CG-CE2 3.41Å; P315-F948 VanDerWaalsContact CG-CE2 3.41Å; P315-F948 HydrophobicContact CG-CZ 3.78Å; I440-F948 HydrophobicContact CG1-CE1 3.76Å; I440-F948 HydrophobicContact CG1-CZ 4.19Å; P835-F948 HydrophobicContact CB-CE1 4.48Å; P835-F948 HydrophobicContact CB-CZ 3.73Å; P835-F948 HydrophobicContact CG-CE1 4.35Å; P835-F948 HydrophobicContact CG-CZ 4.04Å; T941-F948 WeakPolarHBondContact O-CE2 3.46Å; F948-L950 HydrophobicContact CB-CB 4.27Å; F948-L950 PolarHBondContact O-N 3.21Å; F948-L950 VanDerWaalsContact O-N 3.14Å; F948-D951 WeakPolarHBondContact CB-OD2 3.25Å; F948-D951 WeakPolarHBondContact CD2-OD2 3.46Å; F948-D951 PolarHBondContact N-OD2 3.03Å; F948-D951 WeakPolarHBondContact O-CB 3.4Å; F948-D951 PolarHBondContact O-N 2.87Å; F948-R952 PolarHBondContact O-N 2.88Å
949	A	59.9	Low	64	Low	51 Å²	51	67.9 Å²	67.9	42%	0.421	35%	0.347	S	S	.	.	H	α-helix	trans	-57.3	-28	170.2	0	0	0	0	0	111.8	D951 R952 E953	A949-D951 VanDerWaalsContact C-N 3.29Å; A949-D951 PolarHBondContact O-N 2.79Å; A949-R952 PolarHBondContact O-N 3.33Å; A949-E953 WeakPolarHBondContact O-CB 3.45Å; A949-E953 VanDerWaalsContact O-CG 3.26Å; A949-E953 WeakPolarHBondContact O-CG 3.29Å; A949-E953 PolarHBondContact O-N 2.88Å
950	L	57.9	Low	62.8	Low	16 Å²	16	72.3 Å²	72.3	8%	0.084	37%	0.368	C	S	.	.	H	α-helix	trans	-64	-25.2	172.3	-95.6	163.4	0	0	0	115.2	Y319 K322 K324 F948	Y319-L950 HydrophobicContact CD2-CD1 4.44Å; K322-L950 HydrophobicContact CD-CD2 3.76Å; K324-L950 HydrophobicContact CD-CD2 3.88Å; K324-L950 HydrophobicContact CD-CG 4.18Å; F948-L950 HydrophobicContact CB-CB 4.27Å; F948-L950 PolarHBondContact O-N 3.21Å; F948-L950 VanDerWaalsContact O-N 3.14Å
951	D	60	Low	61.8	Low	7 Å²	7	76.1 Å²	76.1	4%	0.037	38%	0.383	C	S	.	.	H	α-helix	trans	-80.9	-48	174.9	-53.9	-52.6	0	0	0	109.2	K943 F948 A949 E953 E954 E955	K943-D951 WeakPolarHBondContact CA-OD1 3.27Å; F948-D951 WeakPolarHBondContact CB-OD2 3.25Å; F948-D951 WeakPolarHBondContact CD2-OD2 3.46Å; F948-D951 PolarHBondContact N-OD2 3.03Å; F948-D951 WeakPolarHBondContact O-CB 3.4Å; F948-D951 PolarHBondContact O-N 2.87Å; A949-D951 VanDerWaalsContact C-N 3.29Å; A949-D951 PolarHBondContact O-N 2.79Å; D951-E953 PolarHBondContact O-N 3.08Å; D951-E954 WeakPolarHBondContact O-CA 3.22Å; D951-E954 WeakPolarHBondContact O-CB 3.46Å; D951-E954 PolarHBondContact O-N 3.06Å; D951-E955 WeakPolarHBondContact O-CG 3.49Å; D951-E955 PolarHBondContact O-N 3.37Å
952	R	59.5	Low	61.1	Low	115 Å²	115	83.6 Å²	83.6	43%	0.434	42%	0.418	S	S	.	.	H	α-helix	trans	-63.8	-38.2	178.7	-64.3	-168.6	-58.6	-92.3	1	113.4	G946 F948 A949 E954 E955 E956	G946-R952 WeakPolarHBondContact O-CG 3.49Å; G946-R952 PolarHBondContact O-NH1 3.14Å; F948-R952 PolarHBondContact O-N 2.88Å; A949-R952 PolarHBondContact O-N 3.33Å; R952-E954 PolarHBondContact O-N 2.88Å; R952-E955 PolarHBondContact O-N 3.25Å; R952-E956 VanDerWaalsContact O-CB 3.3Å; R952-E956 WeakPolarHBondContact O-CB 3.46Å; R952-E956 VanDerWaalsContact O-CG 3.24Å; R952-E956 WeakPolarHBondContact O-CG 3.48Å; R952-E956 PolarHBondContact O-N 2.8Å
953	E	62.1	Low	60.7	Low	77 Å²	77	87.6 Å²	87.6	36%	0.36	43%	0.432	S	S	.	.	H	α-helix	trans	-67.6	-18.2	173	-71.9	172.9	-104.5	0	0	112.7	K324 A949 D951 E957	K324-E953 WeakPolarHBondContact CE-OE2 3.44Å; K324-E953 IonicContact NZ-OE1 2.67Å; K324-E953 PolarHBondContact NZ-OE1 2.96Å; K324-E953 IonicContact NZ-OE2 3.12Å; K324-E953 PolarHBondContact NZ-OE2 3.21Å; A949-E953 WeakPolarHBondContact O-CB 3.45Å; A949-E953 VanDerWaalsContact O-CG 3.26Å; A949-E953 WeakPolarHBondContact O-CG 3.29Å; A949-E953 PolarHBondContact O-N 2.88Å; D951-E953 PolarHBondContact O-N 3.08Å; E953-E957 VanDerWaalsContact O-CB 3.26Å; E953-E957 WeakPolarHBondContact O-CB 3.35Å; E953-E957 WeakPolarHBondContact O-CG 3.26Å; E953-E957 PolarHBondContact O-N 2.79Å
954	E	60.6	Low	60.7	Low	35 Å²	35	85.2 Å²	85.2	16%	0.164	43%	0.432	C	S	.	.	H	α-helix	trans	-87.6	-36.6	168.5	-80.5	179.6	173.5	0	0	112.3	K322 K943 D951 R952 E956 E957 E958	K322-E954 WeakPolarHBondContact CE-OE1 3.37Å; K322-E954 VanDerWaalsContact NZ-CD 3.29Å; K322-E954 IonicContact NZ-OE1 3.1Å; K322-E954 PolarHBondContact NZ-OE1 3.29Å; K943-E954 WeakPolarHBondContact CE-OE2 3.38Å; K943-E954 IonicContact NZ-OE1 3.51Å; K943-E954 PolarHBondContact NZ-OE1 3.13Å; K943-E954 IonicContact NZ-OE2 3.38Å; K943-E954 PolarHBondContact NZ-OE2 3.48Å; D951-E954 WeakPolarHBondContact O-CA 3.22Å; D951-E954 WeakPolarHBondContact O-CB 3.46Å; D951-E954 PolarHBondContact O-N 3.06Å; R952-E954 PolarHBondContact O-N 2.88Å; E954-E956 VanDerWaalsContact C-N 3.3Å; E954-E957 PolarHBondContact O-N 3.27Å; E954-E958 VanDerWaalsContact O-CB 3.3Å; E954-E958 WeakPolarHBondContact O-CB 3.22Å; E954-E958 WeakPolarHBondContact O-CG 3.49Å; E954-E958 PolarHBondContact O-N 3.17Å
955	E	60.5	Low	60.8	Low	72 Å²	72	89.5 Å²	89.5	34%	0.336	44%	0.438	S	S	.	.	H	α-helix	trans	-60.9	-42.1	172.2	-67.5	156.4	-176.3	0	0	109.6	G946 D951 R952 E959	G946-E955 PolarHBondContact N-OE1 3.47Å; D951-E955 WeakPolarHBondContact O-CG 3.49Å; D951-E955 PolarHBondContact O-N 3.37Å; R952-E955 PolarHBondContact O-N 3.25Å; E955-E959 WeakPolarHBondContact O-CB 3.5Å; E955-E959 VanDerWaalsContact O-CG 3.31Å; E955-E959 WeakPolarHBondContact O-CG 3.45Å; E955-E959 PolarHBondContact O-N 3.36Å
956	E	61.2	Low	60.9	Low	119 Å²	119	91.9 Å²	91.9	56%	0.556	45%	0.448	S	S	*	.	H	α-helix	trans	-68.2	-40.1	171.9	-69.6	165.7	-153.3	0	0	113.2	R952 E954 E960	R952-E956 VanDerWaalsContact O-CB 3.3Å; R952-E956 WeakPolarHBondContact O-CB 3.46Å; R952-E956 VanDerWaalsContact O-CG 3.24Å; R952-E956 WeakPolarHBondContact O-CG 3.48Å; R952-E956 PolarHBondContact O-N 2.8Å; E954-E956 VanDerWaalsContact C-N 3.3Å; E956-E960 PolarHBondContact O-N 3.18Å
957	E	61.8	Low	61.2	Low	113 Å²	113	97.1 Å²	97.1	53%	0.528	47%	0.472	S	S	.	.	H	α-helix	trans	-68.9	-36.8	175.8	-81.5	173.9	164.6	0	0	112.1	K322 E953 E954 E961	K322-E957 IonicContact NZ-OE2 3.41Å; E953-E957 VanDerWaalsContact O-CB 3.26Å; E953-E957 WeakPolarHBondContact O-CB 3.35Å; E953-E957 WeakPolarHBondContact O-CG 3.26Å; E953-E957 PolarHBondContact O-N 2.79Å; E954-E957 PolarHBondContact O-N 3.27Å; E957-E961 PolarHBondContact O-N 2.88Å; E957-E961 VanDerWaalsContact O-N 3.12Å
958	E	64.3	Low	60.9	Low	136 Å²	136	99.6 Å²	99.6	64%	0.636	49%	0.487	S	S	*	.	H	α-helix	trans	-75.1	-35.3	177.2	-71.5	-178.6	-177.3	0	0	111.6	E954 E961 E962	E954-E958 VanDerWaalsContact O-CB 3.3Å; E954-E958 WeakPolarHBondContact O-CB 3.22Å; E954-E958 WeakPolarHBondContact O-CG 3.49Å; E954-E958 PolarHBondContact O-N 3.17Å; E958-E961 PolarHBondContact O-N 2.67Å; E958-E962 PolarHBondContact O-N 2.97Å
959	E	63.2	Low	60.2	Low	138 Å²	138	103.4 Å²	103.4	65%	0.645	51%	0.508	S	S	*	.	H	α-helix	trans	-67.4	-40.8	171.2	-75.9	178.8	-179.6	0	0	112.3	E955 E961 E962 E963	E955-E959 WeakPolarHBondContact O-CB 3.5Å; E955-E959 VanDerWaalsContact O-CG 3.31Å; E955-E959 WeakPolarHBondContact O-CG 3.45Å; E955-E959 PolarHBondContact O-N 3.36Å; E959-E961 VanDerWaalsContact C-N 3.33Å; E959-E961 PolarHBondContact O-N 3.15Å; E959-E962 PolarHBondContact O-N 3.13Å; E959-E963 PolarHBondContact O-N 2.95Å
960	E	64.5	Low	60	Low	160 Å²	160	107.3 Å²	107.3	75%	0.748	52%	0.518	S	S	*	.	H	α-helix	trans	-65.8	-30.8	172.7	-79.7	-164.9	-179.6	0	0	112.7	E956 G964	E956-E960 PolarHBondContact O-N 3.18Å; E960-G964 PolarHBondContact O-N 3.04Å; E960-G964 VanDerWaalsContact O-N 3.15Å
961	E	63.5	Low	59.8	Low	152 Å²	152	109 Å²	109	71%	0.71	54%	0.535	S	S	*	.	H	α-helix	trans	-75.1	-38.4	173.1	-76	-166.2	171.6	0	0	112.7	E957 E958 E959 G964 E965	E957-E961 PolarHBondContact O-N 2.88Å; E957-E961 VanDerWaalsContact O-N 3.12Å; E958-E961 PolarHBondContact O-N 2.67Å; E959-E961 VanDerWaalsContact C-N 3.33Å; E959-E961 PolarHBondContact O-N 3.15Å; E961-G964 PolarHBondContact O-N 3.34Å; E961-E965 PolarHBondContact O-N 2.93Å
962	E	64.1	Low	59.6	Low	157 Å²	157	115.6 Å²	115.6	73%	0.734	57%	0.565	S	S	*	*	H	α-helix	trans	-68.9	-43.3	174.6	-74.6	-159.3	163.1	0	0	112.7	E958 E959 G964 E965 D966	E958-E962 PolarHBondContact O-N 2.97Å; E959-E962 PolarHBondContact O-N 3.13Å; E962-G964 PolarHBondContact O-N 2.91Å; E962-E965 PolarHBondContact O-N 3.21Å; E962-D966 PolarHBondContact O-N 2.74Å; E962-D966 VanDerWaalsContact O-N 3.11Å
963	E	63	Low	59.3	Low	157 Å²	157	114.6 Å²	114.6	73%	0.734	57%	0.565	S	S	*	*	H	α-helix	trans	-61.4	-34.6	172	-74.3	-158.2	158	0	0	111.5	E959 D966 D967	E959-E963 PolarHBondContact O-N 2.95Å; E963-D966 PolarHBondContact O-N 2.74Å; E963-D967 PolarHBondContact O-N 3.27Å; E963-D967 VanDerWaalsContact O-N 3.08Å
964	G	57.7	Low	58.9	Low	37 Å²	37	115.5 Å²	115.5	38%	0.381	57%	0.572	S	S	.	*	H	α-helix	trans	-66	-42.4	176	0	0	0	0	0	114	E960 E961 E962 E968	E960-G964 PolarHBondContact O-N 3.04Å; E960-G964 VanDerWaalsContact O-N 3.15Å; E961-G964 PolarHBondContact O-N 3.34Å; E962-G964 PolarHBondContact O-N 2.91Å; G964-E968 PolarHBondContact O-N 3.14Å; G964-E968 VanDerWaalsContact O-N 3.15Å
965	E	55.7	Low	58.6	Low	143 Å²	143	118.2 Å²	118.2	67%	0.668	59%	0.591	S	S	*	*	H	α-helix	trans	-68	-36	174.6	-73.7	-154.3	162.7	0	0	111.9	E961 E962 E968 N969	E961-E965 PolarHBondContact O-N 2.93Å; E962-E965 PolarHBondContact O-N 3.21Å; E965-E968 PolarHBondContact O-N 3.22Å; E965-N969 WeakPolarHBondContact O-CB 3.42Å; E965-N969 PolarHBondContact O-N 2.78Å; E965-N969 PolarHBondContact O-ND2 2.86Å
966	D	56.6	Low	57.9	Low	117 Å²	117	121.2 Å²	121.2	63%	0.626	61%	0.605	S	S	*	*	H	α-helix	trans	-68.8	-37.3	177	-103.7	0.1	0	0	0	112.7	E962 E963 N969 E970	E962-D966 PolarHBondContact O-N 2.74Å; E962-D966 VanDerWaalsContact O-N 3.11Å; E963-D966 PolarHBondContact O-N 2.74Å; D966-N969 PolarHBondContact O-N 2.89Å; D966-E970 PolarHBondContact O-N 2.65Å
967	D	57.2	Low	57.3	Low	125 Å²	125	123.2 Å²	123.2	67%	0.668	61%	0.607	S	S	*	*	H	α-helix	trans	-70.4	-33.4	175.6	-151.3	35.4	0	0	0	111.8	E963 A971	E963-D967 PolarHBondContact O-N 3.27Å; E963-D967 VanDerWaalsContact O-N 3.08Å; D967-A971 WeakPolarHBondContact O-CB 3.23Å; D967-A971 PolarHBondContact O-N 3.23Å; D967-A971 VanDerWaalsContact O-N 3.12Å
968	E	55.5	Low	56.6	Low	151 Å²	151	127.6 Å²	127.6	71%	0.706	62%	0.619	S	S	*	*	H	α-helix	trans	-68.6	-36.5	168.1	-72.6	-150.1	154	0	0	112.3	G964 E965 A971 E972	G964-E968 PolarHBondContact O-N 3.14Å; G964-E968 VanDerWaalsContact O-N 3.15Å; E965-E968 PolarHBondContact O-N 3.22Å; E968-A971 WeakPolarHBondContact O-CB 3.42Å; E968-A971 PolarHBondContact O-N 2.84Å; E968-E972 PolarHBondContact O-N 3.27Å
969	N	55.4	Low	55.6	Low	94 Å²	94	125.6 Å²	125.6	50%	0.503	62%	0.616	S	S	.	*	H	α-helix	trans	-66.9	-43	175.7	-81.9	-64.5	0	0	0	112.7	E965 D966 A971 E972 E973	E965-N969 WeakPolarHBondContact O-CB 3.42Å; E965-N969 PolarHBondContact O-N 2.78Å; E965-N969 PolarHBondContact O-ND2 2.86Å; D966-N969 PolarHBondContact O-N 2.89Å; N969-A971 VanDerWaalsContact C-N 3.28Å; N969-A971 PolarHBondContact O-N 2.97Å; N969-E972 PolarHBondContact O-N 3.45Å; N969-E973 PolarHBondContact O-N 3.15Å
970	E	55.2	Low	54.6	Low	132 Å²	132	124.9 Å²	124.9	62%	0.617	62%	0.621	S	S	*	*	H	α-helix	trans	-60.3	-39.2	171.4	-84.3	-119.7	150.8	0	0	111.1	D966 E973 L974	D966-E970 PolarHBondContact O-N 2.65Å; E970-E973 PolarHBondContact O-N 2.83Å; E970-L974 WeakPolarHBondContact O-CB 3.31Å; E970-L974 WeakPolarHBondContact O-CG 3.13Å; E970-L974 PolarHBondContact O-N 3.2Å
971	A	55.1	Low	53.4	Low	53 Å²	53	122.3 Å²	122.3	44%	0.438	62%	0.621	S	S	.	*	H	α-helix	trans	-64.4	-41.5	176.5	0	0	0	0	0	112.7	D967 E968 N969 L974 V975	D967-A971 WeakPolarHBondContact O-CB 3.23Å; D967-A971 PolarHBondContact O-N 3.23Å; D967-A971 VanDerWaalsContact O-N 3.12Å; E968-A971 WeakPolarHBondContact O-CB 3.42Å; E968-A971 PolarHBondContact O-N 2.84Å; N969-A971 VanDerWaalsContact C-N 3.28Å; N969-A971 PolarHBondContact O-N 2.97Å; A971-L974 PolarHBondContact O-N 2.64Å; A971-V975 WeakPolarHBondContact O-CG2 3.46Å; A971-V975 PolarHBondContact O-N 2.7Å; A971-V975 VanDerWaalsContact O-N 3.17Å
972	E	54.4	Low	52.1	Low	145 Å²	145	120.3 Å²	120.3	68%	0.678	62%	0.623	S	S	*	*	H	α-helix	trans	-66.6	-41.6	174.3	-69.8	-131.5	133.1	0	0	112.1	E968 N969 L974 V975 E976	E968-E972 PolarHBondContact O-N 3.27Å; N969-E972 PolarHBondContact O-N 3.45Å; E972-L974 VanDerWaalsContact C-N 3.3Å; E972-L974 PolarHBondContact O-N 2.69Å; E972-V975 CarbonylContact O-C 3.59Å; E972-V975 WeakPolarHBondContact O-CA 3.27Å; E972-V975 WeakPolarHBondContact O-CB 3.22Å; E972-V975 PolarHBondContact O-N 2.84Å; E972-E976 PolarHBondContact O-N 3.37Å
973	E	53	Low	50.6	Low	93 Å²	93	117.5 Å²	117.5	44%	0.435	62%	0.621	S	S	.	*	H	α-helix	trans	-64.1	-35.4	177.1	-125.3	-125	122	0	0	111.9	N969 E970 V975 R977	N969-E973 PolarHBondContact O-N 3.15Å; E970-E973 PolarHBondContact O-N 2.83Å; E973-V975 VanDerWaalsContact C-N 3.28Å; E973-V975 PolarHBondContact O-N 3.35Å; E973-R977 WeakPolarHBondContact O-CB 3.11Å; E973-R977 WeakPolarHBondContact O-CG 3.22Å; E973-R977 PolarHBondContact O-N 3.38Å; E973-R977 IonicContact OE1-CZ 3.06Å; E973-R977 IonicContact OE1-NE 3.54Å; E973-R977 PolarHBondContact OE1-NE 3.18Å; E973-R977 IonicContact OE1-NH2 2.75Å; E973-R977 PolarHBondContact OE1-NH2 2.57Å; E973-R977 IonicContact OE2-CZ 3.11Å; E973-R977 IonicContact OE2-NE 3.43Å; E973-R977 IonicContact OE2-NH1 3.76Å; E973-R977 IonicContact OE2-NH2 2.65Å; E973-R977 PolarHBondContact OE2-NH2 3.44Å
974	L	53.6	Low	49.3	Very low	97 Å²	97	119.3 Å²	119.3	51%	0.508	63%	0.63	S	S	.	*	H	α-helix	trans	-68	-24.7	172.3	-77.6	167.4	0	0	0	113.4	E970 A971 E972 R978	E970-L974 WeakPolarHBondContact O-CB 3.31Å; E970-L974 WeakPolarHBondContact O-CG 3.13Å; E970-L974 PolarHBondContact O-N 3.2Å; A971-L974 PolarHBondContact O-N 2.64Å; E972-L974 VanDerWaalsContact C-N 3.3Å; E972-L974 PolarHBondContact O-N 2.69Å; L974-R978 WeakPolarHBondContact O-CG 3.5Å
975	V	54.1	Low	47.9	Very low	92 Å²	92	121.5 Å²	121.5	56%	0.558	65%	0.652	S	S	*	*	H	α-helix	trans	-81.7	-42.8	173.5	170.7	0	0	0	0	111.4	A971 E972 E973 R978 T979	A971-V975 WeakPolarHBondContact O-CG2 3.46Å; A971-V975 PolarHBondContact O-N 2.7Å; A971-V975 VanDerWaalsContact O-N 3.17Å; E972-V975 CarbonylContact O-C 3.59Å; E972-V975 WeakPolarHBondContact O-CA 3.27Å; E972-V975 WeakPolarHBondContact O-CB 3.22Å; E972-V975 PolarHBondContact O-N 2.84Å; E973-V975 VanDerWaalsContact C-N 3.28Å; E973-V975 PolarHBondContact O-N 3.35Å; V975-R978 PolarHBondContact O-N 3.16Å; V975-R978 VanDerWaalsContact O-N 3.12Å; V975-T979 PolarHBondContact O-N 3.19Å; V975-T979 VanDerWaalsContact O-N 3.16Å
976	E	47.2	Very low	46.7	Very low	134 Å²	134	119.6 Å²	119.6	63%	0.626	66%	0.661	S	S	*	*	H	α-helix	trans	-60.5	-46.5	172.6	-78.7	-129	121.8	0	0	111.7	E972 R978 T979 V980	E972-E976 PolarHBondContact O-N 3.37Å; E976-R978 PolarHBondContact O-N 2.96Å; E976-T979 PolarHBondContact O-N 3Å; E976-T979 PolarHBondContact O-OG1 3.35Å; E976-T979 VanDerWaalsContact O-OG1 3.07Å; E976-V980 PolarHBondContact O-N 3.42Å
977	R	47.9	Very low	45.3	Very low	161 Å²	161	119.9 Å²	119.9	61%	0.608	67%	0.671	S	S	*	*	H	α-helix	trans	-60	-21.3	176.1	-71.6	172.1	-179	-177	1.8	113	E973	E973-R977 WeakPolarHBondContact O-CB 3.11Å; E973-R977 WeakPolarHBondContact O-CG 3.22Å; E973-R977 PolarHBondContact O-N 3.38Å; E973-R977 IonicContact OE1-CZ 3.06Å; E973-R977 IonicContact OE1-NE 3.54Å; E973-R977 PolarHBondContact OE1-NE 3.18Å; E973-R977 IonicContact OE1-NH2 2.75Å; E973-R977 PolarHBondContact OE1-NH2 2.57Å; E973-R977 IonicContact OE2-CZ 3.11Å; E973-R977 IonicContact OE2-NE 3.43Å; E973-R977 IonicContact OE2-NH1 3.76Å; E973-R977 IonicContact OE2-NH2 2.65Å; E973-R977 PolarHBondContact OE2-NH2 3.44Å
978	R	47	Very low	43.9	Very low	206 Å²	206	118.6 Å²	118.6	78%	0.777	68%	0.677	S	S	*	*	H	α-helix	trans	-87.3	-23.5	173.5	-83.2	178.2	167.1	165.5	0.5	114.8	L974 V975 E976	L974-R978 WeakPolarHBondContact O-CG 3.5Å; V975-R978 PolarHBondContact O-N 3.16Å; V975-R978 VanDerWaalsContact O-N 3.12Å; E976-R978 PolarHBondContact O-N 2.96Å
979	T	43.6	Very low	42.6	Very low	94 Å²	94	115.8 Å²	115.8	58%	0.577	68%	0.68	S	S	*	*	H	α-helix	trans	-87.2	-24.3	-178	55	0	0	0	0	113.9	V975 E976 S981	V975-T979 PolarHBondContact O-N 3.19Å; V975-T979 VanDerWaalsContact O-N 3.16Å; E976-T979 PolarHBondContact O-N 3Å; E976-T979 PolarHBondContact O-OG1 3.35Å; E976-T979 VanDerWaalsContact O-OG1 3.07Å; T979-S981 PolarHBondContact O-N 3.16Å
980	V	42.7	Very low	41.5	Very low	123 Å²	123	115.3 Å²	115.3	75%	0.745	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-21	-176.1	178.7	0	0	0	0	114.3	E976 S982	E976-V980 PolarHBondContact O-N 3.42Å; V980-S982 VanDerWaalsContact C-N 3.31Å; V980-S982 PolarHBondContact O-N 3.45Å
981	S	40	Very low	40.2	Very low	106 Å²	106	118 Å²	118	74%	0.741	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	16.7	-174.2	64.1	0	0	0	0	116	T979	T979-S981 PolarHBondContact O-N 3.16Å
982	S	35.6	Very low	39	Very low	109 Å²	109	119.7 Å²	119.7	76%	0.762	71%	0.71	S	S	*	*			trans	-116.2	58.7	-171.5	-161.5	0	0	0	0	114.9	V980	V980-S982 VanDerWaalsContact C-N 3.31Å; V980-S982 PolarHBondContact O-N 3.45Å
983	S	33.2	Very low	37.9	Very low	99 Å²	99	119.7 Å²	119.7	69%	0.692	72%	0.715	S	S	*	*			trans	-150.5	144.6	156.9	78.5	0	0	0	0	113.8
984	Q	33.9	Very low	37	Very low	195 Å²	195	123 Å²	123	91%	0.911	73%	0.73	S	S	*	*	S	Bend	trans	73.3	114.7	176.8	-50.1	-170.2	26.2	0	0	118.9
985	G	29	Very low	35.9	Very low	82 Å²	82	126.9 Å²	126.9	85%	0.845	75%	0.746	S	S	*	*				110.2	70.6	123.7	0	0	0	0	0	119.3
986	A	29.9	Very low	34.7	Very low	104 Å²	104	130 Å²	130	86%	0.86	76%	0.759	S	S	*	*			trans	-46.8	148.1	169	0	0	0	0	0	116.7
987	C	27.3	Very low	33.9	Very low	123 Å²	123	131.8 Å²	131.8	83%	0.831	77%	0.768	S	S	*	*				-174.8	138.8	112.2	-150.1	0	0	0	0	114.2
988	A	28.8	Very low	34.4	Very low	97 Å²	97	128.9 Å²	128.9	80%	0.802	77%	0.77	S	S	*	*			trans	60.9	165.1	157.7	0	0	0	0	0	118.7
989	A	28.5	Very low	33.7	Very low	93 Å²	93	125.1 Å²	125.1	77%	0.769	77%	0.77	S	S	*	*			cis	-169.6	166.3	-34.8	0	0	0	0	0	109
990	A	30.7	Very low	33	Very low	83 Å²	83	128.2 Å²	128.2	69%	0.686	78%	0.777	S	S	*	*			trans	69.1	132.2	-179.2	0	0	0	0	0	114.3
991	Q	29.5	Very low	32.3	Very low	188 Å²	188	127.9 Å²	127.9	88%	0.879	77%	0.771	S	S	*	*				66.1	132.8	74.7	-67.4	175.7	-42.8	0	0	111.7
992	S	29.4	Very low	31.8	Very low	90 Å²	90	131.3 Å²	131.3	63%	0.629	77%	0.773	S	S	*	*			cis	-167.2	153.4	20.6	39.8	0	0	0	0	112.1
993	D	31.7	Very low	31.4	Very low	144 Å²	144	131.1 Å²	131.1	77%	0.77	77%	0.771	S	S	*	*			trans	57.5	150.8	142.9	-48	-14.1	0	0	0	118.8
994	E	32.6	Very low	31.2	Very low	163 Å²	163	131.6 Å²	131.6	76%	0.762	78%	0.775	S	S	*	*			cis	-144.9	149.9	-0.7	-115.6	156.5	-169.3	0	0	106.3
995	E	30.7	Very low	31	Very low	179 Å²	179	132 Å²	132	84%	0.836	77%	0.774	S	S	*	*				40.6	135	101	-55.4	-170.3	170.9	0	0	115.3
996	D	30	Very low	31	Very low	156 Å²	156	137 Å²	137	83%	0.834	77%	0.772	S	S	*	*			cis	-153.1	175	25.7	-160.6	-1.7	0	0	0	112.8
997	E	30.6	Very low	31	Very low	172 Å²	172	139.7 Å²	139.7	80%	0.804	77%	0.772	S	S	*	*			trans	-92.2	-146.7	-178.9	-72.6	-158.3	159.4	0	0	114.4
998	P	58.4	Low	31.4	Very low	100 Å²	100	142 Å²	142	65%	0.649	78%	0.775	S	S	*	*				-123.1	-171.4	-93.1	36.7	-20.4	0	0	0	113.7
999	V	30.8	Very low	31.8	Very low	128 Å²	128	143.4 Å²	143.4	78%	0.776	77%	0.769	S	S	*	*				167.8	148.2	123.2	155.9	0	0	0	0	112.7
1000	Q	30.4	Very low	32.2	Very low	159 Å²	159	147.5 Å²	147.5	74%	0.743	77%	0.773	S	S	*	*			trans	-36.7	161.2	167.9	-48.1	171.5	-5.1	0	0	115
1001	N	27.8	Very low	32.4	Very low	115 Å²	115	151.7 Å²	151.7	62%	0.615	78%	0.778	S	S	*	*			cis	-175.7	148.6	46.5	-134.6	-39.4	0	0	0	112.6
1002	K	28.9	Very low	32.8	Very low	178 Å²	178	151.1 Å²	151.1	77%	0.774	78%	0.775	S	S	*	*			trans	46.6	119	145.1	-81.3	172.5	-176.1	-175.8	0	122.7
1003	S	27.8	Very low	33.1	Very low	105 Å²	105	154.3 Å²	154.3	73%	0.734	78%	0.78	S	S	*	*				110.1	133.2	109.1	72.7	0	0	0	0	121.9
1004	S	28.6	Very low	33.4	Very low	109 Å²	109	155.8 Å²	155.8	76%	0.762	78%	0.782	S	S	*	*			trans	84.8	112.1	142.5	-60	0	0	0	0	121.4
1005	K	30.2	Very low	33.7	Very low	204 Å²	204	156.1 Å²	156.1	89%	0.887	78%	0.784	S	S	*	*			trans	48.4	105.8	142	-69	-163.8	170.3	-156.5	0	118.8
1006	K	27.9	Very low	34	Very low	188 Å²	188	155.5 Å²	155.5	82%	0.817	78%	0.781	S	S	*	*				-165.3	164.4	113.4	-106.6	-176.5	172.9	-149.9	0	109.8
1007	D	30.6	Very low	34.4	Very low	160 Å²	160	156 Å²	156	86%	0.856	78%	0.779	S	S	*	*			trans	126.3	90.2	164.4	-61.3	-11.2	0	0	0	111.8
1008	L	34.6	Very low	34.8	Very low	171 Å²	171	155.7 Å²	155.7	90%	0.895	78%	0.777	S	S	*	*			trans	177.2	84.9	168.8	-108	172.8	0	0	0	104.4
1009	N	37.9	Very low	34	Very low	127 Å²	127	158.8 Å²	158.8	68%	0.679	78%	0.783	S	S	*	*			trans	-166.9	47.3	-175.4	-151.4	126.9	0	0	0	110.9
1010	Q	36.4	Very low	34.4	Very low	179 Å²	179	160.6 Å²	160.6	84%	0.836	78%	0.783	S	S	*	*	S	Bend	trans	-156.3	76.4	-179.2	-128.2	170.4	7.5	0	0	109.6
1011	E	36.7	Very low	34.9	Very low	170 Å²	170	160.9 Å²	160.9	79%	0.794	78%	0.784	S	S	*	*	S	Bend	trans	-170.7	-35.9	170.4	-108.4	149.6	-152.7	0	0	109.8	E1013	E1011-E1013 PolarHBondContact O-N 2.98Å
1012	E	37.8	Very low	35.5	Very low	177 Å²	177	163.3 Å²	163.3	83%	0.827	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	25.8	171	-59.2	-178.9	139	0	0	114.8
1013	E	35.6	Very low	36.2	Very low	157 Å²	157	162.7 Å²	162.7	73%	0.734	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130	5	177.4	-77.8	-172.1	160.8	0	0	113.8	E1011	E1011-E1013 PolarHBondContact O-N 2.98Å
1014	E	37.5	Very low	36.8	Very low	174 Å²	174	164.9 Å²	164.9	81%	0.813	79%	0.79	S	S	*	*	S	Bend	trans	-113.1	-11.3	174.7	-67.4	-168	160.4	0	0	114.8
1015	E	38.2	Very low	37.4	Very low	170 Å²	170	167 Å²	167	79%	0.794	79%	0.788	S	S	*	*	S	Bend	trans	-88.1	-22.5	174.7	-68.1	-169.6	147.2	0	0	114.1	E1017	E1015-E1017 VanDerWaalsContact C-N 3.32Å; E1015-E1017 PolarHBondContact O-N 3.46Å
1016	E	37.7	Very low	38	Very low	167 Å²	167	165.1 Å²	165.1	78%	0.78	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-8.6	179.1	-73.1	-164	156.3	0	0	114.2
1017	E	38.1	Very low	38.6	Very low	167 Å²	167	163.6 Å²	163.6	78%	0.78	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-15.3	175.7	-72.2	-160.8	158.2	0	0	114.4	E1015	E1015-E1017 VanDerWaalsContact C-N 3.32Å; E1015-E1017 PolarHBondContact O-N 3.46Å
1018	E	39.2	Very low	39.2	Very low	164 Å²	164	163 Å²	163	77%	0.766	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-27.5	175.9	-68.8	-158.8	154.1	0	0	113.6	E1020	E1018-E1020 PolarHBondContact O-N 3.43Å
1019	E	40.6	Very low	39.7	Very low	166 Å²	166	160.6 Å²	160.6	78%	0.776	76%	0.762	S	S	*	*	H	α-helix	trans	-71.9	-21.9	176.5	-71.7	-158.2	147.8	0	0	113.8
1020	E	39.8	Very low	39.8	Very low	166 Å²	166	158.4 Å²	158.4	78%	0.776	76%	0.757	S	S	*	*	H	α-helix	trans	-81.3	-17.2	176.9	-74.2	-155.7	156.7	0	0	114.3	E1018	E1018-E1020 PolarHBondContact O-N 3.43Å
1021	E	40.4	Very low	40	Very low	164 Å²	164	156.7 Å²	156.7	77%	0.766	75%	0.754	S	S	*	*	H	α-helix	trans	-85.3	-25.6	177.7	-73.1	-149.8	149.7	0	0	114.2
1022	E	41.7	Very low	40.3	Very low	167 Å²	167	159.2 Å²	159.2	78%	0.78	76%	0.756	S	S	*	*	H	α-helix	trans	-77	-28.5	177.9	-70.8	-150.2	145.2	0	0	113.9	E1024 E1025	E1022-E1024 VanDerWaalsContact C-N 3.33Å; E1022-E1024 PolarHBondContact O-N 3Å; E1022-E1025 PolarHBondContact O-N 2.94Å
1023	E	41.8	Very low	40.4	Very low	165 Å²	165	158.6 Å²	158.6	77%	0.771	76%	0.758	S	S	*	*	H	α-helix	trans	-68.6	-23.6	179.4	-74.5	-149.3	144.4	0	0	113.8
1024	E	40.8	Very low	40.7	Very low	151 Å²	151	158.6 Å²	158.6	71%	0.706	76%	0.762	S	S	*	*	H	α-helix	trans	-78.6	-19.3	178.1	-78.9	-142.8	154.8	0	0	114.7	E1022	E1022-E1024 VanDerWaalsContact C-N 3.33Å; E1022-E1024 PolarHBondContact O-N 3Å
1025	E	42.7	Very low	41.1	Very low	154 Å²	154	156.6 Å²	156.6	72%	0.72	76%	0.762	S	S	*	*	H	α-helix	trans	-82.6	-36.4	179	-74.2	-125.9	130	0	0	113.1	E1022 Q1028	E1022-E1025 PolarHBondContact O-N 2.94Å; E1025-Q1028 PolarHBondContact O-N 2.94Å
1026	E	42.1	Very low	40.9	Very low	164 Å²	164	155.8 Å²	155.8	77%	0.766	76%	0.759	S	S	*	*	H	α-helix	trans	-67.4	-37.9	-178.8	-77.3	-129	128.5	0	0	113.3	Q1028 V1029	E1026-Q1028 PolarHBondContact O-N 3.37Å; E1026-V1029 PolarHBondContact O-N 3.1Å
1027	E	41.2	Very low	40.8	Very low	155 Å²	155	155.8 Å²	155.8	72%	0.724	76%	0.757	S	S	*	*	H	α-helix	trans	-59.6	-32.1	178.9	-87.9	-128	132.6	0	0	112.3	V1029 S1030	E1027-V1029 PolarHBondContact O-N 3.02Å; E1027-S1030 PolarHBondContact O-OG 2.9Å
1028	Q	42.8	Very low	41.2	Very low	149 Å²	149	153.9 Å²	153.9	70%	0.696	76%	0.757	S	S	*	*	H	α-helix	trans	-75.2	-21.9	-176.7	-65.2	-165.1	53.1	0	0	114.2	E1025 E1026	E1025-Q1028 PolarHBondContact O-N 2.94Å; E1026-Q1028 PolarHBondContact O-N 3.37Å
1029	V	43.8	Very low	41.2	Very low	119 Å²	119	157.7 Å²	157.7	72%	0.721	78%	0.782	S	S	*	*	H	α-helix	trans	-79.3	-33.8	179.3	-176.1	0	0	0	0	111.6	E1026 E1027 N1031	E1026-V1029 PolarHBondContact O-N 3.1Å; E1027-V1029 PolarHBondContact O-N 3.02Å; V1029-N1031 PolarHBondContact O-N 3.41Å; V1029-N1031 VanDerWaalsContact O-N 3.13Å
1030	S	40.3	Very low	41.2	Very low	81 Å²	81	157.3 Å²	157.3	57%	0.566	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-59.8	-26.4	-175.7	74	0	0	0	0	114.9	E1027 R1032	E1027-S1030 PolarHBondContact O-OG 2.9Å; S1030-R1032 PolarHBondContact O-N 3.04Å
1031	N	40.7	Very low	41.3	Very low	144 Å²	144	156.8 Å²	156.8	77%	0.77	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-91.1	14	-163.1	-113.3	-52.9	0	0	0	115.6	V1029	V1029-N1031 PolarHBondContact O-N 3.41Å; V1029-N1031 VanDerWaalsContact O-N 3.13Å
1032	R	42.3	Very low	41.3	Very low	223 Å²	223	156.4 Å²	156.4	84%	0.842	78%	0.784	S	S	*	*	G	3₁₀ helix	trans	-109.5	-20.1	-173.6	-97	-178.5	174.3	153.8	5.1	118.1	S1030	S1030-R1032 PolarHBondContact O-N 3.04Å
1033	D	40	Very low	41.3	Very low	163 Å²	163	155.8 Å²	155.8	87%	0.872	78%	0.784	S	S	*	*			trans	-110.3	31	-170.2	-99.6	-43.9	0	0	0	115.9
1034	I	43.1	Very low	41.2	Very low	158 Å²	158	155.2 Å²	155.2	81%	0.81	79%	0.785	S	S	*	*			trans	-107.2	67.2	168.2	-49.2	-175.4	0	0	0	111.1
1035	T	44.9	Very low	41.3	Very low	132 Å²	132	155.5 Å²	155.5	81%	0.81	79%	0.79	S	S	*	*			trans	-162.8	98.5	152.9	1.4	0	0	0	0	114.1
1036	M	34.3	Very low	41.2	Very low	152 Å²	152	155.6 Å²	155.6	75%	0.749	80%	0.796	S	S	*	*				176.9	130	127	-99.2	-172.7	-144	0	0	114
1037	K	35.7	Very low	41.1	Very low	167 Å²	167	154.9 Å²	154.9	73%	0.726	80%	0.798	S	S	*	*			trans	58.3	117.4	146.6	-58	159.1	-174.2	162.2	0	117
1038	T	46.3	Very low	41.1	Very low	128 Å²	128	154.9 Å²	154.9	79%	0.785	80%	0.804	S	S	*	*			cis	48.5	82.9	43.8	78.4	0	0	0	0	115.6
1039	N	38.8	Very low	40.9	Very low	243 Å²	243	155.5 Å²	155.5	100%	1.299	81%	0.814	S	S	*	*				-160.7	0	122.7	-112	6.6	0	0	0	110.5

Retrieved 1,039 of 1,039 residues in 747.3 ms (Link to these results)

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