A0A096N471_PAPAN Loading...

WD repeat-containing protein 3

Part of the small subunit (SSU) processome, first precursor of the small eukaryotic ribosomal subunit. During the assembly of the SSU processome in the nucleolus, many ribosome biogenesis factors, an RNA chaperone and ribosomal proteins associate with the nascent pre-rRNA and work in concert to generate RNA folding, modifications, rearrangements and cleavage as well as targeted degradation of pre-ribosomal RNA by the RNA exosome.

AlphaFold DB , UniProt , Accession A0A096N471, Species PAPAN (Papio anubis, Olive baboon), Gene WDR3, Length 943 aa.

						>A0A096N471_PAPAN|A0A096N471|WDR3
MGLTKQYLRYVASAVFGVIGSQKGNIVFVTLRGEKGRYVAVPACEHVFIWDLRKGEKILILQGLKQEVTCLCPSPDGLHLAVGYEDGSIRIFSLLSGEGNVTFNGHKAAITTLKYDQLGGRLASGSKDTDVIVWDVINESGLYRLKGHKDAITQALFLREKNLLVTSGKDTMVKWWDLDTQHCFKTMVGHRTEVWGLVLVSEEKRLITGASDSELRVWDIAYLQEIEDLEEPDPKKIKGSSPGIQDTLEAEDGTFEMDEAPEDRILSCRKAGSIMREGRDRVVNLAVEKTGRILACHGTDSVLELFCILSKEEIKKKMDKKMKKARKKAKLHSCKGEEEDPEVNVEMSLQDEIQRVTNIKTSAKIKSFDLIHSPQGELKAVFLLQNNLVELYSLNPSLPTPQPVRTSRITIGGHRSDVRTLSFSSDNIAVLSAAADSIKIWNRSTLQCIRTMTCEYALCSFFVPGDRQVVIGTKTGKLQLYDLASGNLLETIDAHDGALWSMSLSPDQRGFVTGGADKSVKFWDFELVKDENSTQKRLSVKQTRTLQLDEDVLCVSYSPNQKLLAVSLLDCTVKIFYVDTLKFFLSLYGHKLPVICMDISYDGALIATGSADRNVKIWGLDFGDCHKSLFAHDDSVMYLQFVPKSHLFFTAGKDHKIKQWDADKFEHIQTLEGHHQEIWCLAVSPSGDYVVSSSHDKSLRLWERTREPLILEEEREMEREAEYEESVAKEDQPAVPGETQGDSYFTGKKTIETVKAAERIMEAIELYREETAKMKEHKAICKAAGKEVPLPTNPILMAYGSISPSAYVLEIFKGIRSSELEESLLVLPFSYVPDILKLFNEFIQLGSDVELICRCLFFLLRIHFGQITSNQMLVPVIEKLRETTISKVSQVRDVIGFNMAGLDYLKRECEAKSEVMFFADATSHLEEKKRKRKKREKLILTLT
					

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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	37.4	Very low	69.5	Low	243 Å²	243	98.5 Å²	98.5	100%	1.197	53%	0.526	S	S	*	.				0	103.3	0	-65.8	-175.6	-161.7	0	0	106.5	L3	M1-L3 PolarHBondContact O-N 3.14Å
2	G	41.2	Very low	71	Confident	73 Å²	73	94.6 Å²	94.6	75%	0.753	52%	0.518	S	S	*	.			trans	-63.7	134.2	177.8	0	0	0	0	0	109	T4	G2-T4 PolarHBondContact O-N 2.9Å
3	L	42.3	Very low	72	Confident	173 Å²	173	92.5 Å²	92.5	91%	0.906	51%	0.514	S	S	*	.			trans	-55.6	107.8	164.3	-107.3	83.8	0	0	0	106.3	M1 K5	M1-L3 PolarHBondContact O-N 3.14Å; L3-K5 PolarHBondContact O-N 3.24Å
4	T	58.5	Low	72.9	Confident	117 Å²	117	87.4 Å²	87.4	72%	0.718	49%	0.49	S	S	*	.			trans	-61.3	110.8	165	40.7	0	0	0	0	105.9	G2 Q6	G2-T4 PolarHBondContact O-N 2.9Å; T4-Q6 PolarHBondContact O-N 2.82Å
5	K	64.8	Low	73.8	Confident	118 Å²	118	82.7 Å²	82.7	51%	0.513	46%	0.464	S	S	.	.			trans	-54.7	112	170.7	-79	-175.8	179.4	179.4	0	106.3	L3 D663	L3-K5 PolarHBondContact O-N 3.24Å; K5-D663 IonicContact NZ-OD2 3.75Å; K5-D663 PolarHBondContact NZ-OD2 2.95Å
6	Q	76.6	Confident	74.8	Confident	151 Å²	151	77.7 Å²	77.7	71%	0.706	44%	0.436	S	S	*	.			trans	-79.2	123.7	174.6	-69.5	177.6	-17.9	0	0	107.7	T4	T4-Q6 PolarHBondContact O-N 2.82Å
7	Y	85.8	Confident	75.3	Confident	15 Å²	15	73.2 Å²	73.2	6%	0.059	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	139.9	171.1	-59.1	-68.6	0	0	0	108.8	L647 D661 K664 I668 P708 L709 L711	Y7-L647 HydrophobicContact CD1-CD2 4.43Å; Y7-L647 HydrophobicContact CE1-CD2 4.1Å; Y7-D661 HydrophobicContact CE1-CB 4.43Å; Y7-D661 WeakPolarHBondContact CE1-OD2 3.38Å; Y7-D661 PolarHBondContact OH-OD2 2.95Å; Y7-K664 WeakPolarHBondContact OH-CD 3.47Å; Y7-K664 WeakPolarHBondContact OH-CE 3.48Å; Y7-K664 PolarHBondContact OH-NZ 3.32Å; Y7-I668 HydrophobicContact CD1-CD1 3.5Å; Y7-I668 VanDerWaalsContact CD1-CD1 3.5Å; Y7-I668 HydrophobicContact CD1-CG1 4.04Å; Y7-I668 HydrophobicContact CD1-CG2 4.28Å; Y7-I668 HydrophobicContact CE1-CD1 3.52Å; Y7-I668 HydrophobicContact CE1-CG1 4.03Å; Y7-I668 HydrophobicContact CG-CD1 4.28Å; Y7-I668 HydrophobicContact CG-CG1 4.4Å; Y7-I668 HydrophobicContact CG-CG2 4.03Å; Y7-P708 CarbonylContact O-C 3.54Å; Y7-P708 WeakPolarHBondContact O-CA 3.48Å; Y7-L709 PolarHBondContact O-N 3.31Å; Y7-L711 HydrophobicContact CD2-CD1 4.34Å; Y7-L711 HydrophobicContact CD2-CD2 4.09Å; Y7-L711 HydrophobicContact CD2-CG 4.2Å; Y7-L711 HydrophobicContact CE2-CD1 3.87Å; Y7-L711 HydrophobicContact CE2-CD2 4.32Å; Y7-L711 HydrophobicContact CE2-CG 4.24Å
8	L	87.8	Confident	76.1	Confident	53 Å²	53	69.3 Å²	69.3	28%	0.277	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.3	176.5	-66	177.8	0	0	0	108.9	R704	L8-R704 HydrophobicContact CB-CG 3.78Å; L8-R704 HydrophobicContact CD1-CG 4.23Å
9	R	89.1	Confident	76.7	Confident	77 Å²	77	65.7 Å²	65.7	29%	0.291	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	139.4	-178	-170.5	177.8	-177.3	108.8	1.8	111.6	V11 R704 T705 E707 L709 E714	R9-V11 HydrophobicContact CG-CG2 4.13Å; R9-R704 WeakPolarHBondContact O-CA 3.3Å; R9-T705 PolarHBondContact O-N 3.24Å; R9-T705 PolarHBondContact O-OG1 3.36Å; R9-E707 PolarHBondContact N-O 2.75Å; R9-L709 HydrophobicContact CB-CD1 4.26Å; R9-L709 HydrophobicContact CG-CD1 4.32Å; R9-E714 IonicContact CZ-OE1 2.93Å; R9-E714 IonicContact NH1-OE1 2.92Å; R9-E714 PolarHBondContact NH1-OE1 2.97Å
10	Y	91	Very high	77.1	Confident	5 Å²	5	62.6 Å²	62.6	2%	0.02	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	133.9	164.6	-75.4	-97.9	0	0	0	109.9	F649 Q669 L671 G687 V690 W702 E703 R704	Y10-F649 HydrophobicContact CD1-CZ 4.26Å; Y10-F649 HydrophobicContact CD2-CE1 4.41Å; Y10-F649 AromaticContact CD2-CZ 3.8Å; Y10-F649 HydrophobicContact CD2-CZ 3.8Å; Y10-F649 HydrophobicContact CE1-CE2 4.42Å; Y10-F649 HydrophobicContact CE1-CZ 4.02Å; Y10-F649 HydrophobicContact CE2-CE2 4.3Å; Y10-F649 AromaticContact CE2-CZ 3.55Å; Y10-F649 HydrophobicContact CE2-CZ 3.55Å; Y10-F649 HydrophobicContact CG-CZ 4.13Å; Y10-F649 AromaticContact CZ-CZ 3.63Å; Y10-Q669 PolarHBondContact O-NE2 3.03Å; Y10-L671 WeakPolarHBondContact O-CD2 3.46Å; Y10-G687 PolarHBondContact OH-O 2.88Å; Y10-V690 HydrophobicContact CD1-CG2 4.27Å; Y10-V690 HydrophobicContact CE1-CG2 3.83Å; Y10-W702 HydrophobicContact CD1-CB 4.44Å; Y10-E703 WeakPolarHBondContact CA-O 3.26Å; Y10-R704 HydrophobicContact CD1-CB 4.04Å; Y10-R704 HydrophobicContact CE1-CB 3.7Å; Y10-R704 HydrophobicContact CE1-CG 4.29Å; Y10-R704 HydrophobicContact CE2-CB 4.4Å; Y10-R704 HydrophobicContact CE2-CG 4.11Å
11	V	89.9	Confident	77.5	Confident	58 Å²	58	59.8 Å²	59.8	35%	0.352	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	142.2	179.9	-179.7	0	0	0	0	109.4	R9 S13 W702 E703 T705	R9-V11 HydrophobicContact CG-CG2 4.13Å; V11-S13 PolarHBondContact O-N 3.4Å; V11-W702 CarbonylContact O-C 3.56Å; V11-W702 WeakPolarHBondContact O-CA 3.37Å; V11-E703 PolarHBondContact N-O 2.83Å; V11-E703 PolarHBondContact O-N 3.43Å; V11-T705 HydrophobicContact CB-CG2 4.08Å; V11-T705 HydrophobicContact CG2-CG2 3.67Å
12	A	87.6	Confident	79.6	Confident	52 Å²	52	51.3 Å²	51.3	43%	0.43	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	116.4	172.2	0	0	0	0	0	109.4	W702	A12-W702 HydrophobicContact CB-CE3 3.83Å; A12-W702 HydrophobicContact CB-CH2 4.15Å; A12-W702 HydrophobicContact CB-CZ3 3.57Å
13	S	84.3	Confident	81.6	Confident	67 Å²	67	51.4 Å²	51.4	47%	0.469	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-50	-179.8	-178	0	0	0	0	110.9	V11 L701	V11-S13 PolarHBondContact O-N 3.4Å; S13-L701 PolarHBondContact N-O 3.41Å
14	A	84.1	Confident	83.6	Confident	21 Å²	21	43.2 Å²	43.2	17%	0.174	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	149.7	-177.4	0	0	0	0	0	114.7	L446 R700 L701	A14-L446 HydrophobicContact CB-CD1 3.27Å; A14-L446 HydrophobicContact CB-CD2 4.31Å; A14-L446 HydrophobicContact CB-CG 4.42Å; A14-R700 WeakPolarHBondContact O-CA 3.35Å; A14-L701 PolarHBondContact N-O 3.45Å; A14-L701 PolarHBondContact O-N 3.5Å
15	V	87.3	Confident	85.2	Confident	17 Å²	17	39.8 Å²	39.8	10%	0.103	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.6	171.2	-170.3	0	0	0	0	109.6	L699 R700	V15-L699 WeakPolarHBondContact CA-O 3.28Å; V15-R700 HydrophobicContact CG1-CG 4.39Å; V15-R700 HydrophobicContact CG2-CG 4.16Å
16	F	88.8	Confident	86.5	Confident	3 Å²	3	34.3 Å²	34.3	1%	0.013	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	178.2	177.5	64.3	-78.4	0	0	0	111	V18 W441 L446 V691 L699 L701	F16-V18 PolarHBondContact O-N 2.8Å; F16-W441 AromaticContact CD2-CD2 3.76Å; F16-W441 HydrophobicContact CD2-CD2 3.76Å; F16-W441 AromaticContact CD2-CE3 3.66Å; F16-W441 HydrophobicContact CD2-CE3 3.66Å; F16-W441 HydrophobicContact CD2-CG 4.14Å; F16-W441 HydrophobicContact CD2-CZ3 4.13Å; F16-W441 HydrophobicContact CE2-CB 3.94Å; F16-W441 AromaticContact CE2-CD2 3.75Å; F16-W441 HydrophobicContact CE2-CD2 3.75Å; F16-W441 HydrophobicContact CE2-CE3 4.12Å; F16-W441 AromaticContact CE2-CG 3.64Å; F16-W441 HydrophobicContact CE2-CG 3.64Å; F16-L446 HydrophobicContact CB-CB 4.24Å; F16-L446 HydrophobicContact CD1-CD2 3.76Å; F16-L446 HydrophobicContact CE1-CD2 3.91Å; F16-L446 HydrophobicContact CG-CB 4.34Å; F16-L446 HydrophobicContact CG-CD2 4.29Å; F16-V691 HydrophobicContact CZ-CG1 4.45Å; F16-L699 HydrophobicContact CD1-CB 4.22Å; F16-L699 WeakPolarHBondContact CD1-O 3.16Å; F16-L699 HydrophobicContact CD2-CB 3.95Å; F16-L699 HydrophobicContact CD2-CD1 4.02Å; F16-L699 HydrophobicContact CE1-CB 3.99Å; F16-L699 HydrophobicContact CE2-CB 3.71Å; F16-L699 HydrophobicContact CE2-CD1 3.57Å; F16-L699 HydrophobicContact CE2-CG 4.29Å; F16-L699 HydrophobicContact CG-CB 4.21Å; F16-L699 HydrophobicContact CZ-CB 3.73Å; F16-L699 HydrophobicContact CZ-CD1 4.24Å; F16-L699 PolarHBondContact N-O 3.04Å; F16-L699 PolarHBondContact O-N 3.18Å; F16-L701 HydrophobicContact CE1-CB 4.23Å
17	G	84.4	Confident	87.1	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.01	15%	0.154	C	C	.	.	S	Bend	trans	81.1	-6.5	-176.2	0	0	0	0	0	115.3	N387 G412 G413 K697	G17-N387 PolarHBondContact O-ND2 2.92Å; G17-G412 CarbonylContact C-O 3.58Å; G17-G412 WeakPolarHBondContact CA-O 3.37Å; G17-G413 WeakPolarHBondContact O-CA 3.13Å; G17-K697 CarbonylContact C-O 3.6Å
18	V	88.3	Confident	87.4	Confident	3 Å²	3	27.1 Å²	27.1	2%	0.018	15%	0.152	C	C	.	.			trans	-105.8	130.4	174.3	-170.3	0	0	0	0	110.6	F16 A43 F48	F16-V18 PolarHBondContact O-N 2.8Å; V18-A43 HydrophobicContact CB-CB 4.45Å; V18-A43 HydrophobicContact CG1-CB 4.09Å; V18-F48 WeakPolarHBondContact O-CE2 3.43Å
19	I	87.9	Confident	87.4	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.005	14%	0.139	C	C	.	.	S	Bend	trans	-98.3	-45.6	167.2	-61.9	167.6	0	0	0	109	V41 W50 N387 V389 I409	I19-V41 WeakPolarHBondContact O-CG1 3.21Å; I19-W50 HydrophobicContact CB-CZ2 4.5Å; I19-W50 HydrophobicContact CG1-CZ2 4.36Å; I19-W50 HydrophobicContact CG2-CZ2 4.32Å; I19-W50 PolarHBondContact O-NE1 2.99Å; I19-N387 WeakPolarHBondContact CA-OD1 3.26Å; I19-N387 WeakPolarHBondContact CB-OD1 3.23Å; I19-N387 WeakPolarHBondContact CD1-O 3.32Å; I19-N387 PolarHBondContact N-OD1 3.43Å; I19-V389 HydrophobicContact CG2-CB 4.38Å; I19-V389 HydrophobicContact CG2-CG2 3.76Å; I19-I409 HydrophobicContact CD1-CG2 4.03Å; I19-I409 HydrophobicContact CG1-CG2 4.35Å; I19-I409 HydrophobicContact CG2-CB 4.39Å; I19-I409 HydrophobicContact CG2-CG2 3.98Å
20	G	85.6	Confident	87.2	Confident	3 Å²	3	22.5 Å²	22.5	3%	0.031	14%	0.135	C	C	.	.			trans	-156.3	135.5	171.7	0	0	0	0	0	114.2	P42 N387	G20-P42 CarbonylContact C-O 3.59Å; G20-P42 VanDerWaalsContact CA-O 3.24Å; G20-P42 WeakPolarHBondContact CA-O 3.26Å; G20-N387 PolarHBondContact N-OD1 3.38Å; G20-N387 PolarHBondContact O-OD1 3.45Å
21	S	85.4	Confident	86.6	Confident	5 Å²	5	23 Å²	23	4%	0.035	14%	0.138	C	C	.	.			trans	-71.5	150.7	176	175	0	0	0	0	111.3	K23 P42	S21-K23 VanDerWaalsContact C-N 3.31Å; S21-K23 PolarHBondContact O-N 2.67Å; S21-K23 PolarHBondContact OG-N 3.42Å; S21-P42 PolarHBondContact N-O 2.93Å
22	Q	81.8	Confident	86	Confident	65 Å²	65	30.4 Å²	30.4	30%	0.304	16%	0.16	S	C	.	.	S	Bend	trans	-76.9	-16.3	-177.6	-60.7	-179.5	38.2	0	0	113.4	K366 K697	Q22-K366 VanDerWaalsContact O-CD 3.24Å; Q22-K366 WeakPolarHBondContact O-CD 3.39Å; Q22-K366 WeakPolarHBondContact O-CE 3.43Å; Q22-K366 WeakPolarHBondContact O-CG 3.3Å; Q22-K697 VanDerWaalsContact NE2-CE 3.35Å
23	K	83.1	Confident	85.2	Confident	75 Å²	75	31.4 Å²	31.4	33%	0.326	17%	0.174	S	C	.	.	S	Bend	trans	-80.2	-38.3	-177	-71.1	-163.9	-175	160.4	0	112.6	S21 E67 E85	S21-K23 VanDerWaalsContact C-N 3.31Å; S21-K23 PolarHBondContact O-N 2.67Å; S21-K23 PolarHBondContact OG-N 3.42Å; K23-E67 WeakPolarHBondContact CD-OE2 3.38Å; K23-E67 WeakPolarHBondContact CE-OE2 3.41Å; K23-E67 IonicContact NZ-OE2 3.49Å; K23-E67 PolarHBondContact NZ-OE2 2.91Å; K23-E85 IonicContact NZ-OE1 3.22Å; K23-E85 PolarHBondContact NZ-OE1 3.45Å; K23-E85 IonicContact NZ-OE2 3.79Å; K23-E85 PolarHBondContact NZ-OE2 2.92Å
24	G	84.1	Confident	84.9	Confident	1 Å²	1	32 Å²	32	1%	0.01	17%	0.17	C	C	.	.	S	Bend	trans	-92	172.8	-170.6	0	0	0	0	0	117.4	T69	G24-T69 VanDerWaalsContact CA-O 3.27Å; G24-T69 WeakPolarHBondContact CA-O 3.38Å
25	N	91	Very high	84.7	Confident	45 Å²	45	37.8 Å²	37.8	24%	0.241	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-96.6	155.9	173.6	66.3	-37.9	0	0	0	112.1	P42 C70 L71 S367	N25-P42 VanDerWaalsContact O-CD 3.3Å; N25-P42 WeakPolarHBondContact O-CD 3.27Å; N25-C70 VanDerWaalsContact OD1-CA 3.24Å; N25-C70 WeakPolarHBondContact OD1-CA 3.49Å; N25-L71 PolarHBondContact ND2-O 3.25Å; N25-L71 WeakPolarHBondContact O-CD1 3.46Å; N25-L71 PolarHBondContact OD1-N 3.02Å; N25-S367 WeakPolarHBondContact CA-OG 3.32Å
26	I	92.3	Very high	84.1	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.015	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-97.4	144.3	174.8	-165.9	152	0	0	0	110.4	V39 V41 S367 V381 L383 V389	I26-V39 HydrophobicContact CD1-CG1 3.64Å; I26-V39 HydrophobicContact CG1-CG1 3.31Å; I26-V41 HydrophobicContact CD1-CG2 3.77Å; I26-V41 HydrophobicContact CG1-CG2 4.11Å; I26-S367 PolarHBondContact N-OG 3.23Å; I26-V381 HydrophobicContact CD1-CG1 3.4Å; I26-V381 HydrophobicContact CG1-CG1 3.79Å; I26-V381 HydrophobicContact CG2-CG1 4.39Å; I26-L383 HydrophobicContact CB-CB 3.89Å; I26-L383 HydrophobicContact CD1-CB 3.85Å; I26-L383 HydrophobicContact CG2-CB 4.05Å; I26-V389 HydrophobicContact CD1-CG1 3.88Å; I26-V389 HydrophobicContact CD1-CG2 3.86Å
27	V	90.8	Very high	84	Confident	7 Å²	7	39 Å²	39	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	137.2	-174.9	171.2	0	0	0	0	110.6	V39 A40 L71 P73	V27-V39 WeakPolarHBondContact O-CA 3.5Å; V27-A40 PolarHBondContact N-O 3.11Å; V27-A40 PolarHBondContact O-N 2.85Å; V27-L71 HydrophobicContact CB-CB 4.45Å; V27-L71 HydrophobicContact CG2-CB 3.81Å; V27-L71 WeakPolarHBondContact CG2-O 3.15Å; V27-P73 HydrophobicContact CG1-CB 3.79Å; V27-P73 HydrophobicContact CG1-CG 3.34Å
28	F	90.6	Very high	84.3	Confident	7 Å²	7	39.7 Å²	39.7	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	135.4	168	-80.5	-75.6	0	0	0	112.3	V39 L52 D369 I371 K379 V381 L391	F28-V39 HydrophobicContact CD1-CG2 3.79Å; F28-V39 HydrophobicContact CE1-CG2 3.99Å; F28-L52 HydrophobicContact CE1-CD1 4.13Å; F28-D369 HydrophobicContact CD2-CB 4.01Å; F28-D369 WeakPolarHBondContact CD2-OD2 3.25Å; F28-D369 PolarHBondContact N-OD2 3.42Å; F28-I371 HydrophobicContact CB-CD1 3.17Å; F28-I371 HydrophobicContact CB-CG1 3.89Å; F28-I371 HydrophobicContact CD1-CD1 4.22Å; F28-I371 HydrophobicContact CD2-CB 3.97Å; F28-I371 HydrophobicContact CD2-CD1 3.82Å; F28-I371 HydrophobicContact CD2-CG1 3.56Å; F28-I371 HydrophobicContact CE2-CB 4.04Å; F28-I371 HydrophobicContact CE2-CG1 4.15Å; F28-I371 HydrophobicContact CG-CB 4.36Å; F28-I371 HydrophobicContact CG-CD1 3.52Å; F28-I371 HydrophobicContact CG-CG1 3.84Å; F28-I371 HydrophobicContact CZ-CB 4.49Å; F28-K379 HydrophobicContact CZ-CB 4.1Å; F28-V381 HydrophobicContact CD1-CG2 4.41Å; F28-V381 HydrophobicContact CE1-CB 4.46Å; F28-V381 HydrophobicContact CE1-CG2 3.5Å; F28-V381 HydrophobicContact CE2-CB 4Å; F28-V381 HydrophobicContact CE2-CG2 3.79Å; F28-V381 HydrophobicContact CZ-CB 3.9Å; F28-V381 HydrophobicContact CZ-CG2 3.16Å; F28-L391 HydrophobicContact CZ-CD1 4.19Å
29	V	87.4	Confident	84.4	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	143.7	179.2	176.5	0	0	0	0	110.3	L31 Y38 A40 L80 L94	V29-L31 HydrophobicContact CG1-CD1 4.13Å; V29-L31 HydrophobicContact CG1-CG 4.11Å; V29-Y38 PolarHBondContact N-O 2.83Å; V29-A40 HydrophobicContact CG2-CB 3.55Å; V29-L80 HydrophobicContact CG2-CD1 4.5Å; V29-L94 HydrophobicContact CG1-CD1 3.33Å; V29-L94 HydrophobicContact CG1-CD2 3.77Å; V29-L94 HydrophobicContact CG1-CG 4.14Å
30	T	84.8	Confident	84.6	Confident	32 Å²	32	39.5 Å²	39.5	20%	0.196	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	108.8	173.8	55.2	0	0	0	0	109	K35 G77	T30-K35 HydrophobicContact CG2-CB 4.24Å; T30-K35 HydrophobicContact CG2-CD 4.19Å; T30-K35 HydrophobicContact CG2-CG 3.67Å; T30-G77 WeakPolarHBondContact OG1-CA 3.39Å; T30-G77 PolarHBondContact OG1-O 2.9Å
31	L	79.3	Confident	85	Confident	16 Å²	16	39.3 Å²	39.3	8%	0.084	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	136.1	174.1	-82.2	148.7	0	0	0	108.8	V29 G33 E34 Y38 I49 L94	V29-L31 HydrophobicContact CG1-CD1 4.13Å; V29-L31 HydrophobicContact CG1-CG 4.11Å; L31-G33 PolarHBondContact O-N 2.98Å; L31-G33 VanDerWaalsContact O-N 3.13Å; L31-E34 PolarHBondContact O-N 3.33Å; L31-E34 VanDerWaalsContact O-N 3.09Å; L31-Y38 HydrophobicContact CB-CD2 3.55Å; L31-Y38 HydrophobicContact CB-CE2 3.75Å; L31-Y38 HydrophobicContact CB-CG 4.16Å; L31-Y38 HydrophobicContact CD1-CD1 4.47Å; L31-Y38 HydrophobicContact CD1-CD2 4.22Å; L31-Y38 HydrophobicContact CD1-CG 3.95Å; L31-Y38 HydrophobicContact CG-CD2 4.47Å; L31-I49 HydrophobicContact CD1-CD1 4.07Å; L31-I49 HydrophobicContact CD1-CG2 3.6Å; L31-L94 HydrophobicContact CD2-CB 4.06Å; L31-L94 VanDerWaalsContact CD2-O 3.3Å; L31-L94 WeakPolarHBondContact CD2-O 3.2Å
32	R	77.1	Confident	85.3	Confident	214 Å²	214	39.1 Å²	39.1	81%	0.808	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	32.6	177.5	-53.2	178.4	-179.4	179.9	-0.6	113.3	E34	R32-E34 VanDerWaalsContact C-N 3.26Å; R32-E34 PolarHBondContact O-N 3.46Å
33	G	71.3	Confident	85.7	Confident	72 Å²	72	36 Å²	36	74%	0.742	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.7	-5.4	179.7	0	0	0	0	0	116	L31	L31-G33 PolarHBondContact O-N 2.98Å; L31-G33 VanDerWaalsContact O-N 3.13Å
34	E	78.7	Confident	86	Confident	80 Å²	80	32.4 Å²	32.4	37%	0.374	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	115.4	177.2	-68.2	-168.2	169.6	0	0	111.3	L31 R32 R37 Y38	L31-E34 PolarHBondContact O-N 3.33Å; L31-E34 VanDerWaalsContact O-N 3.09Å; R32-E34 VanDerWaalsContact C-N 3.26Å; R32-E34 PolarHBondContact O-N 3.46Å; E34-R37 IonicContact OE1-NH1 3.61Å; E34-R37 WeakPolarHBondContact OE2-CD 3.33Å; E34-R37 IonicContact OE2-CZ 2.84Å; E34-R37 IonicContact OE2-NE 3.76Å; E34-R37 IonicContact OE2-NH1 3.32Å; E34-R37 PolarHBondContact OE2-NH1 3.25Å; E34-Y38 HydrophobicContact CB-CE2 4.3Å
35	K	78.8	Confident	86.3	Confident	142 Å²	142	33.1 Å²	33.1	62%	0.617	17%	0.166	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	137.3	175	-54.4	-163.2	172.9	173.5	0	111.5	T30	T30-K35 HydrophobicContact CG2-CB 4.24Å; T30-K35 HydrophobicContact CG2-CD 4.19Å; T30-K35 HydrophobicContact CG2-CG 3.67Å
36	G	75.6	Confident	86.3	Confident	4 Å²	4	32.2 Å²	32.2	4%	0.041	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.7	19.6	170.8	0	0	0	0	0	115.7
37	R	85.4	Confident	86.3	Confident	43 Å²	43	32.1 Å²	32.1	16%	0.162	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-40.5	173.1	-179.6	178.7	178.7	179.8	-6.9	112.7	E34 D51 L52	E34-R37 IonicContact OE1-NH1 3.61Å; E34-R37 WeakPolarHBondContact OE2-CD 3.33Å; E34-R37 IonicContact OE2-CZ 2.84Å; E34-R37 IonicContact OE2-NE 3.76Å; E34-R37 IonicContact OE2-NH1 3.32Å; E34-R37 PolarHBondContact OE2-NH1 3.25Å; R37-D51 VanDerWaalsContact CG-OD1 3.31Å; R37-D51 WeakPolarHBondContact CG-OD1 3.27Å; R37-D51 IonicContact CZ-OD1 3.85Å; R37-D51 IonicContact CZ-OD2 3.53Å; R37-D51 VanDerWaalsContact CZ-OD2 3.3Å; R37-D51 IonicContact NE-OD1 2.77Å; R37-D51 PolarHBondContact NE-OD1 3.4Å; R37-D51 IonicContact NE-OD2 3.77Å; R37-D51 PolarHBondContact NE-OD2 3.37Å; R37-D51 IonicContact NH2-OD1 3.63Å; R37-D51 IonicContact NH2-OD2 3.42Å; R37-D51 PolarHBondContact NH2-OD2 3.39Å; R37-L52 WeakPolarHBondContact O-CB 3.25Å; R37-L52 WeakPolarHBondContact O-CG 3.43Å; R37-L52 PolarHBondContact O-N 3.08Å; R37-L52 VanDerWaalsContact O-N 3.11Å
38	Y	90.6	Very high	86.4	Confident	14 Å²	14	31.8 Å²	31.8	6%	0.055	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	143.6	-174.8	-54.4	-69.4	0	0	0	111.1	V29 L31 E34 W50 D51 I58	V29-Y38 PolarHBondContact N-O 2.83Å; L31-Y38 HydrophobicContact CB-CD2 3.55Å; L31-Y38 HydrophobicContact CB-CE2 3.75Å; L31-Y38 HydrophobicContact CB-CG 4.16Å; L31-Y38 HydrophobicContact CD1-CD1 4.47Å; L31-Y38 HydrophobicContact CD1-CD2 4.22Å; L31-Y38 HydrophobicContact CD1-CG 3.95Å; L31-Y38 HydrophobicContact CG-CD2 4.47Å; E34-Y38 HydrophobicContact CB-CE2 4.3Å; Y38-W50 WeakPolarHBondContact CA-O 3.33Å; Y38-D51 HydrophobicContact CD1-CB 4.28Å; Y38-D51 HydrophobicContact CE1-CB 4.12Å; Y38-I58 HydrophobicContact CD1-CD1 3.64Å; Y38-I58 HydrophobicContact CE1-CD1 3.17Å
39	V	91.3	Very high	86.4	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.6	-179.6	176.3	0	0	0	0	108.9	I26 V27 F28 V41 I49 W50 L52 V381	I26-V39 HydrophobicContact CD1-CG1 3.64Å; I26-V39 HydrophobicContact CG1-CG1 3.31Å; V27-V39 WeakPolarHBondContact O-CA 3.5Å; F28-V39 HydrophobicContact CD1-CG2 3.79Å; F28-V39 HydrophobicContact CE1-CG2 3.99Å; V39-V41 HydrophobicContact CG1-CG2 3.78Å; V39-I49 WeakPolarHBondContact O-CA 3.39Å; V39-W50 PolarHBondContact N-O 2.89Å; V39-W50 VanDerWaalsContact N-O 3.1Å; V39-W50 PolarHBondContact O-N 3.38Å; V39-L52 HydrophobicContact CB-CD2 4.48Å; V39-L52 HydrophobicContact CG2-CD1 3.53Å; V39-L52 HydrophobicContact CG2-CD2 3.95Å; V39-L52 HydrophobicContact CG2-CG 3.74Å; V39-V381 HydrophobicContact CG1-CG1 4.07Å; V39-V381 HydrophobicContact CG2-CG1 4.19Å; V39-V381 HydrophobicContact CG2-CG2 3.98Å
40	A	92.8	Very high	86.6	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	128.8	168.1	0	0	0	0	0	109.3	V27 V29 V47 L71 L80	V27-A40 PolarHBondContact N-O 3.11Å; V27-A40 PolarHBondContact O-N 2.85Å; V29-A40 HydrophobicContact CG2-CB 3.55Å; A40-V47 HydrophobicContact CB-CG1 3.99Å; A40-L71 HydrophobicContact CB-CD1 4.17Å; A40-L80 HydrophobicContact CB-CD2 4.04Å
41	V	92.3	Very high	86.9	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	130.8	-179.8	-168.3	0	0	0	0	108.3	I19 I26 V39 F48 L383 V389	I19-V41 WeakPolarHBondContact O-CG1 3.21Å; I26-V41 HydrophobicContact CD1-CG2 3.77Å; I26-V41 HydrophobicContact CG1-CG2 4.11Å; V39-V41 HydrophobicContact CG1-CG2 3.78Å; V41-F48 PolarHBondContact N-O 3.08Å; V41-F48 PolarHBondContact O-N 2.93Å; V41-L383 HydrophobicContact CG1-CD1 4Å; V41-L383 HydrophobicContact CG1-CD2 4.36Å; V41-V389 HydrophobicContact CG1-CG2 4.4Å; V41-V389 HydrophobicContact CG2-CG2 4.13Å
42	P	92.1	Very high	87.1	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	135.5	176.2	28.9	-32.3	0	0	0	109.5	G20 S21 N25 V68 L71 L383	G20-P42 CarbonylContact C-O 3.59Å; G20-P42 VanDerWaalsContact CA-O 3.24Å; G20-P42 WeakPolarHBondContact CA-O 3.26Å; S21-P42 PolarHBondContact N-O 2.93Å; N25-P42 VanDerWaalsContact O-CD 3.3Å; N25-P42 WeakPolarHBondContact O-CD 3.27Å; P42-V68 HydrophobicContact CB-CB 3.91Å; P42-V68 HydrophobicContact CB-CG1 3.78Å; P42-L71 HydrophobicContact CB-CD1 4.42Å; P42-L71 HydrophobicContact CG-CD1 4.45Å; P42-L383 HydrophobicContact CG-CD2 4.47Å
43	A	89.6	Confident	87.5	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	84.1	-179.4	0	0	0	0	0	109.5	V18 E45 H46 F48	V18-A43 HydrophobicContact CB-CB 4.45Å; V18-A43 HydrophobicContact CG1-CB 4.09Å; A43-E45 PolarHBondContact O-N 3.02Å; A43-E45 VanDerWaalsContact O-N 3.14Å; A43-H46 CarbonylContact C-O 3.56Å; A43-H46 WeakPolarHBondContact CA-O 3.49Å; A43-H46 PolarHBondContact N-O 3.16Å; A43-H46 PolarHBondContact O-N 3.42Å; A43-F48 HydrophobicContact CB-CD1 4.11Å; A43-F48 HydrophobicContact CB-CD2 3.38Å; A43-F48 HydrophobicContact CB-CE1 4.11Å; A43-F48 HydrophobicContact CB-CE2 3.38Å; A43-F48 HydrophobicContact CB-CG 3.76Å; A43-F48 HydrophobicContact CB-CZ 3.77Å
44	C	89.3	Confident	88.2	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	-111.7	-171.3	-54.3	0	0	0	0	110.2	E67 V68 D696	C44-E67 CarbonylContact O-C 3.54Å; C44-E67 WeakPolarHBondContact O-CA 3.47Å; C44-V68 PolarHBondContact O-N 3.12Å; C44-D696 PolarHBondContact SG-OD2 3.45Å
45	E	90.4	Very high	88.3	Confident	16 Å²	16	29 Å²	29	8%	0.075	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-17	178	72	-144.3	-174.5	0	0	114.4	A43 G63 Q66 H675 R700	A43-E45 PolarHBondContact O-N 3.02Å; A43-E45 VanDerWaalsContact O-N 3.14Å; E45-G63 VanDerWaalsContact O-CA 3.24Å; E45-G63 WeakPolarHBondContact O-CA 3.46Å; E45-G63 PolarHBondContact O-N 3.15Å; E45-Q66 WeakPolarHBondContact CA-O 3.33Å; E45-Q66 WeakPolarHBondContact CB-O 3.26Å; E45-H675 IonicContact OE2-CE1 2.75Å; E45-H675 PolarHBondContact OE2-CE1 2.84Å; E45-H675 IonicContact OE2-NE2 3.34Å; E45-R700 IonicContact OE1-CZ 3.18Å; E45-R700 IonicContact OE1-NH1 3.34Å; E45-R700 PolarHBondContact OE1-NH1 3.06Å; E45-R700 IonicContact OE1-NH2 2.6Å; E45-R700 IonicContact OE2-CZ 2.62Å; E45-R700 IonicContact OE2-NH1 3.38Å; E45-R700 PolarHBondContact OE2-NH1 3.43Å; E45-R700 VanDerWaalsContact OE2-NH1 3.1Å; E45-R700 IonicContact OE2-NH2 3.17Å; E45-R700 PolarHBondContact OE2-NH2 3.32Å
46	H	91.6	Very high	88.7	Confident	25 Å²	25	27.3 Å²	27.3	12%	0.116	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	165.8	-177	-57.8	-29.6	0	0	0	111.6	A43 F48 I60 L61 G63	A43-H46 CarbonylContact C-O 3.56Å; A43-H46 WeakPolarHBondContact CA-O 3.49Å; A43-H46 PolarHBondContact N-O 3.16Å; A43-H46 PolarHBondContact O-N 3.42Å; H46-F48 HydrophobicContact CB-CD1 4.38Å; H46-F48 HydrophobicContact CB-CE1 3.93Å; H46-I60 HydrophobicContact CB-CG2 4.28Å; H46-L61 WeakPolarHBondContact CA-O 3.34Å; H46-G63 PolarHBondContact ND1-N 3.47Å
47	V	92.8	Very high	89.2	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.8	168.3	-174.9	0	0	0	0	108.9	A40 L61 V68 L71 L80 V82	A40-V47 HydrophobicContact CB-CG1 3.99Å; V47-L61 HydrophobicContact CB-CB 4.09Å; V47-L61 HydrophobicContact CB-CD1 4.15Å; V47-L61 HydrophobicContact CB-CG 4.48Å; V47-L61 HydrophobicContact CG1-CD1 4.38Å; V47-L61 PolarHBondContact N-O 3.03Å; V47-L61 PolarHBondContact O-N 3.33Å; V47-V68 HydrophobicContact CG2-CG1 4.26Å; V47-V68 HydrophobicContact CG2-CG2 3.96Å; V47-L71 HydrophobicContact CG1-CD1 3.91Å; V47-L71 HydrophobicContact CG1-CD2 4.08Å; V47-L71 HydrophobicContact CG2-CD2 3.72Å; V47-L80 HydrophobicContact CG1-CD2 4.17Å; V47-V82 HydrophobicContact CG2-CG1 3.87Å; V47-V82 HydrophobicContact CG2-CG2 3.99Å
48	F	92	Very high	89.4	Confident	1 Å²	1	32.5 Å²	32.5	0%	0.004	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.6	178.5	-66.1	-16	0	0	0	110.6	V18 V41 A43 H46 W50 I60	V18-F48 WeakPolarHBondContact O-CE2 3.43Å; V41-F48 PolarHBondContact N-O 3.08Å; V41-F48 PolarHBondContact O-N 2.93Å; A43-F48 HydrophobicContact CB-CD1 4.11Å; A43-F48 HydrophobicContact CB-CD2 3.38Å; A43-F48 HydrophobicContact CB-CE1 4.11Å; A43-F48 HydrophobicContact CB-CE2 3.38Å; A43-F48 HydrophobicContact CB-CG 3.76Å; A43-F48 HydrophobicContact CB-CZ 3.77Å; H46-F48 HydrophobicContact CB-CD1 4.38Å; H46-F48 HydrophobicContact CB-CE1 3.93Å; F48-W50 HydrophobicContact CD2-CZ2 4.27Å; F48-I60 HydrophobicContact CD1-CB 4.28Å; F48-I60 HydrophobicContact CD1-CG1 3.84Å; F48-I60 HydrophobicContact CD1-CG2 3.92Å; F48-I60 HydrophobicContact CE1-CB 4.37Å; F48-I60 HydrophobicContact CE1-CD1 4.18Å; F48-I60 HydrophobicContact CE1-CG1 3.93Å; F48-I60 HydrophobicContact CE1-CG2 3.69Å
49	I	92.3	Very high	89.2	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	116.5	171.3	-52.9	-171.9	0	0	0	109.3	L31 V39 I58 L59 L94	L31-I49 HydrophobicContact CD1-CD1 4.07Å; L31-I49 HydrophobicContact CD1-CG2 3.6Å; V39-I49 WeakPolarHBondContact O-CA 3.39Å; I49-I58 PolarHBondContact O-N 3.11Å; I49-L59 HydrophobicContact CB-CB 4.18Å; I49-L59 HydrophobicContact CD1-CB 4.12Å; I49-L59 HydrophobicContact CD1-CD2 3.88Å; I49-L59 HydrophobicContact CD1-CG 4.49Å; I49-L59 HydrophobicContact CG1-CB 4.28Å; I49-L59 PolarHBondContact N-O 3.24Å; I49-L94 HydrophobicContact CD1-CD2 3.65Å
50	W	90.9	Very high	89.2	Confident	6 Å²	6	37.2 Å²	37.2	2%	0.023	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	140	-178.8	-67.7	92.4	0	0	0	111.8	I19 Y38 V39 F48 G55 K57 I409	I19-W50 HydrophobicContact CB-CZ2 4.5Å; I19-W50 HydrophobicContact CG1-CZ2 4.36Å; I19-W50 HydrophobicContact CG2-CZ2 4.32Å; I19-W50 PolarHBondContact O-NE1 2.99Å; Y38-W50 WeakPolarHBondContact CA-O 3.33Å; V39-W50 PolarHBondContact N-O 2.89Å; V39-W50 VanDerWaalsContact N-O 3.1Å; V39-W50 PolarHBondContact O-N 3.38Å; F48-W50 HydrophobicContact CD2-CZ2 4.27Å; W50-G55 WeakPolarHBondContact CZ3-O 3.47Å; W50-K57 HydrophobicContact CE3-CB 4.31Å; W50-K57 HydrophobicContact CE3-CG 4.43Å; W50-K57 HydrophobicContact CH2-CB 4.35Å; W50-K57 HydrophobicContact CH2-CD 4.16Å; W50-K57 HydrophobicContact CH2-CG 3.81Å; W50-K57 HydrophobicContact CZ2-CG 4.4Å; W50-K57 HydrophobicContact CZ3-CB 4.21Å; W50-K57 HydrophobicContact CZ3-CG 3.83Å; W50-I409 HydrophobicContact CB-CD1 3.82Å; W50-I409 HydrophobicContact CD2-CD1 4.13Å; W50-I409 HydrophobicContact CE3-CD1 4.13Å; W50-I409 HydrophobicContact CE3-CG2 4.13Å; W50-I409 HydrophobicContact CG-CD1 4.02Å; W50-I409 HydrophobicContact CH2-CG2 4.45Å; W50-I409 HydrophobicContact CZ3-CG2 4.08Å
51	D	90.1	Very high	89	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	113.7	162.7	-170.1	-15.4	0	0	0	109.5	R37 Y38 R53 K54 G55 E56 I58	R37-D51 VanDerWaalsContact CG-OD1 3.31Å; R37-D51 WeakPolarHBondContact CG-OD1 3.27Å; R37-D51 IonicContact CZ-OD1 3.85Å; R37-D51 IonicContact CZ-OD2 3.53Å; R37-D51 VanDerWaalsContact CZ-OD2 3.3Å; R37-D51 IonicContact NE-OD1 2.77Å; R37-D51 PolarHBondContact NE-OD1 3.4Å; R37-D51 IonicContact NE-OD2 3.77Å; R37-D51 PolarHBondContact NE-OD2 3.37Å; R37-D51 IonicContact NH2-OD1 3.63Å; R37-D51 IonicContact NH2-OD2 3.42Å; R37-D51 PolarHBondContact NH2-OD2 3.39Å; Y38-D51 HydrophobicContact CD1-CB 4.28Å; Y38-D51 HydrophobicContact CE1-CB 4.12Å; D51-R53 PolarHBondContact O-N 3.45Å; D51-R53 PolarHBondContact OD1-N 2.99Å; D51-K54 HydrophobicContact CB-CB 4.4Å; D51-K54 PolarHBondContact O-N 2.92Å; D51-G55 WeakPolarHBondContact O-CA 3.43Å; D51-G55 PolarHBondContact O-N 3.19Å; D51-E56 PolarHBondContact N-O 3.12Å; D51-I58 HydrophobicContact CB-CD1 3.71Å; D51-I58 HydrophobicContact CB-CG1 4.38Å
52	L	84.9	Confident	88.7	Confident	8 Å²	8	44 Å²	44	4%	0.042	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.2	-178.7	-67.9	179	0	0	0	113.9	F28 R37 V39 V381 V389 L391 S407 I409	F28-L52 HydrophobicContact CE1-CD1 4.13Å; R37-L52 WeakPolarHBondContact O-CB 3.25Å; R37-L52 WeakPolarHBondContact O-CG 3.43Å; R37-L52 PolarHBondContact O-N 3.08Å; R37-L52 VanDerWaalsContact O-N 3.11Å; V39-L52 HydrophobicContact CB-CD2 4.48Å; V39-L52 HydrophobicContact CG2-CD1 3.53Å; V39-L52 HydrophobicContact CG2-CD2 3.95Å; V39-L52 HydrophobicContact CG2-CG 3.74Å; L52-V381 HydrophobicContact CD1-CG2 3.77Å; L52-V389 HydrophobicContact CD2-CG1 4.17Å; L52-L391 HydrophobicContact CD1-CB 4.34Å; L52-L391 HydrophobicContact CD1-CD1 4.01Å; L52-L391 HydrophobicContact CD1-CD2 3.94Å; L52-L391 HydrophobicContact CD1-CG 4.3Å; L52-S407 VanDerWaalsContact O-CB 3.29Å; L52-S407 WeakPolarHBondContact O-CB 3.32Å; L52-S407 PolarHBondContact O-OG 3.45Å; L52-I409 HydrophobicContact CD2-CD1 4.09Å
53	R	85.6	Confident	88.2	Confident	176 Å²	176	44.4 Å²	44.4	66%	0.664	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-41.5	179.2	-69.5	-177.6	176.5	159.4	-0.8	112.1	D51	D51-R53 PolarHBondContact O-N 3.45Å; D51-R53 PolarHBondContact OD1-N 2.99Å
54	K	84.9	Confident	87.7	Confident	138 Å²	138	49.8 Å²	49.8	60%	0.6	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-25.3	-177.5	-65.7	-173.6	174.2	-170.8	0	113	D51 E56	D51-K54 HydrophobicContact CB-CB 4.4Å; D51-K54 PolarHBondContact O-N 2.92Å; K54-E56 HydrophobicContact CB-CB 4.25Å; K54-E56 HydrophobicContact CB-CG 4.11Å
55	G	82.1	Confident	87.3	Confident	31 Å²	31	56.3 Å²	56.3	32%	0.32	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	22.9	-170.9	0	0	0	0	0	112.9	W50 D51	W50-G55 WeakPolarHBondContact CZ3-O 3.47Å; D51-G55 WeakPolarHBondContact O-CA 3.43Å; D51-G55 PolarHBondContact O-N 3.19Å
56	E	85.4	Confident	87.1	Confident	106 Å²	106	59.2 Å²	59.2	50%	0.495	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	149	179.7	-68.8	177.1	163.9	0	0	110.7	D51 K54	D51-E56 PolarHBondContact N-O 3.12Å; K54-E56 HydrophobicContact CB-CB 4.25Å; K54-E56 HydrophobicContact CB-CG 4.11Å
57	K	87.6	Confident	87	Confident	73 Å²	73	58 Å²	58	32%	0.317	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	126.1	173.1	10.6	177	176.3	170.9	0	108.7	W50	W50-K57 HydrophobicContact CE3-CB 4.31Å; W50-K57 HydrophobicContact CE3-CG 4.43Å; W50-K57 HydrophobicContact CH2-CB 4.35Å; W50-K57 HydrophobicContact CH2-CD 4.16Å; W50-K57 HydrophobicContact CH2-CG 3.81Å; W50-K57 HydrophobicContact CZ2-CG 4.4Å; W50-K57 HydrophobicContact CZ3-CB 4.21Å; W50-K57 HydrophobicContact CZ3-CG 3.83Å
58	I	87.9	Confident	87.1	Confident	83 Å²	83	58 Å²	58	43%	0.426	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-47.9	-178.3	-69.9	172.7	0	0	0	111.3	Y38 I49 D51	Y38-I58 HydrophobicContact CD1-CD1 3.64Å; Y38-I58 HydrophobicContact CE1-CD1 3.17Å; I49-I58 PolarHBondContact O-N 3.11Å; D51-I58 HydrophobicContact CB-CD1 3.71Å; D51-I58 HydrophobicContact CB-CG1 4.38Å
59	L	87.6	Confident	87.1	Confident	41 Å²	41	58.9 Å²	58.9	22%	0.215	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	139.4	-174.6	-170	68.5	0	0	0	109	I49 L61	I49-L59 HydrophobicContact CB-CB 4.18Å; I49-L59 HydrophobicContact CD1-CB 4.12Å; I49-L59 HydrophobicContact CD1-CD2 3.88Å; I49-L59 HydrophobicContact CD1-CG 4.49Å; I49-L59 HydrophobicContact CG1-CB 4.28Å; I49-L59 PolarHBondContact N-O 3.24Å; L59-L61 HydrophobicContact CD2-CD2 3.73Å; L59-L61 HydrophobicContact CG-CD2 4.18Å
60	I	90.1	Very high	87.1	Confident	73 Å²	73	59.1 Å²	59.1	37%	0.374	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	116.3	172.3	-61	173.3	0	0	0	106.2	H46 F48 Q62	H46-I60 HydrophobicContact CB-CG2 4.28Å; F48-I60 HydrophobicContact CD1-CB 4.28Å; F48-I60 HydrophobicContact CD1-CG1 3.84Å; F48-I60 HydrophobicContact CD1-CG2 3.92Å; F48-I60 HydrophobicContact CE1-CB 4.37Å; F48-I60 HydrophobicContact CE1-CD1 4.18Å; F48-I60 HydrophobicContact CE1-CG1 3.93Å; F48-I60 HydrophobicContact CE1-CG2 3.69Å; I60-Q62 HydrophobicContact CG2-CG 4.11Å; I60-Q62 PolarHBondContact O-N 3.18Å
61	L	89.6	Confident	87.3	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	108.1	169.4	-54.6	176.3	0	0	0	107	H46 V47 L59 G63 L80 F92	H46-L61 WeakPolarHBondContact CA-O 3.34Å; V47-L61 HydrophobicContact CB-CB 4.09Å; V47-L61 HydrophobicContact CB-CD1 4.15Å; V47-L61 HydrophobicContact CB-CG 4.48Å; V47-L61 HydrophobicContact CG1-CD1 4.38Å; V47-L61 PolarHBondContact N-O 3.03Å; V47-L61 PolarHBondContact O-N 3.33Å; L59-L61 HydrophobicContact CD2-CD2 3.73Å; L59-L61 HydrophobicContact CG-CD2 4.18Å; L61-G63 PolarHBondContact O-N 3.01Å; L61-L80 HydrophobicContact CD1-CD2 3.67Å; L61-F92 HydrophobicContact CB-CD1 4.05Å; L61-F92 HydrophobicContact CB-CE1 4.19Å; L61-F92 HydrophobicContact CB-CG 4.24Å; L61-F92 HydrophobicContact CB-CZ 4.49Å; L61-F92 HydrophobicContact CD1-CB 3.89Å; L61-F92 HydrophobicContact CD1-CD2 4.39Å; L61-F92 HydrophobicContact CD1-CG 4.05Å; L61-F92 HydrophobicContact CD2-CB 4.12Å; L61-F92 HydrophobicContact CD2-CD1 4.11Å; L61-F92 HydrophobicContact CD2-CG 4.28Å; L61-F92 HydrophobicContact CG-CD1 4.48Å; L61-F92 HydrophobicContact CG-CG 4.43Å
62	Q	86.3	Confident	87.4	Confident	142 Å²	142	59 Å²	59	66%	0.664	28%	0.284	S	S	*	.			trans	-77.9	109.9	-177.3	-68.6	-179.8	-21.8	0	0	109.9	I60	I60-Q62 HydrophobicContact CG2-CG 4.11Å; I60-Q62 PolarHBondContact O-N 3.18Å
63	G	80.4	Confident	87.7	Confident	9 Å²	9	60.7 Å²	60.7	9%	0.093	30%	0.295	C	S	.	.			trans	-80.3	176.3	161.8	0	0	0	0	0	112.4	E45 H46 L61 Y84	E45-G63 VanDerWaalsContact O-CA 3.24Å; E45-G63 WeakPolarHBondContact O-CA 3.46Å; E45-G63 PolarHBondContact O-N 3.15Å; H46-G63 PolarHBondContact ND1-N 3.47Å; L61-G63 PolarHBondContact O-N 3.01Å; G63-Y84 WeakPolarHBondContact CA-OH 3.38Å
64	L	79.5	Confident	87.9	Confident	113 Å²	113	52.7 Å²	52.7	59%	0.592	27%	0.266	S	S	*	.			trans	-82.4	-97.8	178.5	-68.4	-177.5	0	0	0	111.6	R90	L64-R90 VanDerWaalsContact CG-NH2 3.26Å
65	K	81.4	Confident	87.9	Confident	137 Å²	137	48.8 Å²	48.8	60%	0.596	26%	0.255	S	S	*	.	S	Bend	trans	-120.8	-22.8	-168.2	-67.2	-174.5	176.4	-174.8	0	113.9	H675	K65-H675 PolarHBondContact O-NE2 3.44Å
66	Q	87.1	Confident	87.9	Confident	77 Å²	77	52.3 Å²	52.3	36%	0.36	27%	0.266	S	S	.	.	S	Bend	trans	-98.3	151.5	-169.6	-63.5	-69	-1.9	0	0	111.6	E45 Y84 D86	E45-Q66 WeakPolarHBondContact CA-O 3.33Å; E45-Q66 WeakPolarHBondContact CB-O 3.26Å; Q66-Y84 HydrophobicContact CB-CD1 4.33Å; Q66-Y84 VanDerWaalsContact O-CD1 3.27Å; Q66-Y84 WeakPolarHBondContact O-CD1 3.48Å; Q66-D86 HydrophobicContact CG-CB 3.89Å
67	E	89.4	Confident	87.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-69.7	143.6	178.9	-62.3	-163.8	118.9	0	0	112.2	K23 C44 Y84 E85 H675	K23-E67 WeakPolarHBondContact CD-OE2 3.38Å; K23-E67 WeakPolarHBondContact CE-OE2 3.41Å; K23-E67 IonicContact NZ-OE2 3.49Å; K23-E67 PolarHBondContact NZ-OE2 2.91Å; C44-E67 CarbonylContact O-C 3.54Å; C44-E67 WeakPolarHBondContact O-CA 3.47Å; E67-Y84 CarbonylContact O-C 3.51Å; E67-Y84 WeakPolarHBondContact O-CA 3.3Å; E67-E85 PolarHBondContact O-N 3.35Å; E67-H675 VanDerWaalsContact CD-CG 3.41Å; E67-H675 HydrophobicContact CG-CB 3.49Å; E67-H675 VanDerWaalsContact CG-CB 3.49Å; E67-H675 WeakPolarHBondContact CG-CD2 3.19Å; E67-H675 WeakPolarHBondContact CG-ND1 3.42Å; E67-H675 WeakPolarHBondContact OE1-CB 3.33Å; E67-H675 IonicContact OE1-CG 3.02Å; E67-H675 IonicContact OE1-ND1 3.05Å
68	V	93.4	Very high	87.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	121.5	172.1	177.9	0	0	0	0	109.7	P42 C44 V47 L71 V82 Y84	P42-V68 HydrophobicContact CB-CB 3.91Å; P42-V68 HydrophobicContact CB-CG1 3.78Å; C44-V68 PolarHBondContact O-N 3.12Å; V47-V68 HydrophobicContact CG2-CG1 4.26Å; V47-V68 HydrophobicContact CG2-CG2 3.96Å; V68-L71 HydrophobicContact CG1-CD2 3.77Å; V68-L71 HydrophobicContact CG1-CG 4.25Å; V68-V82 HydrophobicContact CB-CG1 4.23Å; V68-V82 HydrophobicContact CG1-CG1 3.54Å; V68-V82 HydrophobicContact CG2-CG1 3.66Å; V68-Y84 HydrophobicContact CG2-CD1 4Å; V68-Y84 HydrophobicContact CG2-CE1 3.55Å
69	T	92.4	Very high	87.9	Confident	20 Å²	20	47 Å²	47	12%	0.123	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-27.2	-179.7	58.9	0	0	0	0	112.9	G24 G83 E85 A109 I110	G24-T69 VanDerWaalsContact CA-O 3.27Å; G24-T69 WeakPolarHBondContact CA-O 3.38Å; T69-G83 PolarHBondContact N-O 3.42Å; T69-G83 PolarHBondContact OG1-O 3.09Å; T69-E85 HydrophobicContact CG2-CB 4.02Å; T69-A109 HydrophobicContact CG2-CB 4.36Å; T69-I110 VanDerWaalsContact CB-O 3.28Å; T69-I110 WeakPolarHBondContact CB-O 3.21Å; T69-I110 PolarHBondContact OG1-O 2.79Å
70	C	92.8	Very high	88.1	Confident	4 Å²	4	45 Å²	45	3%	0.027	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	150.9	-179.6	59.2	0	0	0	0	113.1	N25 V82 G83 I110 L113	N25-C70 VanDerWaalsContact OD1-CA 3.24Å; N25-C70 WeakPolarHBondContact OD1-CA 3.49Å; C70-V82 WeakPolarHBondContact O-CA 3.36Å; C70-G83 PolarHBondContact N-O 3.48Å; C70-G83 PolarHBondContact O-N 3.13Å; C70-G83 VanDerWaalsContact SG-CA 3.59Å; C70-I110 WeakPolarHBondContact SG-CG2 3.47Å; C70-L113 WeakPolarHBondContact SG-CD1 3.19Å
71	L	94.4	Very high	88.3	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	136.5	-179.5	-62.8	-178.1	0	0	0	108.8	N25 V27 A40 P42 V47 V68 L80 A81 V82	N25-L71 PolarHBondContact ND2-O 3.25Å; N25-L71 WeakPolarHBondContact O-CD1 3.46Å; N25-L71 PolarHBondContact OD1-N 3.02Å; V27-L71 HydrophobicContact CB-CB 4.45Å; V27-L71 HydrophobicContact CG2-CB 3.81Å; V27-L71 WeakPolarHBondContact CG2-O 3.15Å; A40-L71 HydrophobicContact CB-CD1 4.17Å; P42-L71 HydrophobicContact CB-CD1 4.42Å; P42-L71 HydrophobicContact CG-CD1 4.45Å; V47-L71 HydrophobicContact CG1-CD1 3.91Å; V47-L71 HydrophobicContact CG1-CD2 4.08Å; V47-L71 HydrophobicContact CG2-CD2 3.72Å; V68-L71 HydrophobicContact CG1-CD2 3.77Å; V68-L71 HydrophobicContact CG1-CG 4.25Å; L71-L80 HydrophobicContact CD2-CD2 4.42Å; L71-A81 WeakPolarHBondContact CA-O 3.38Å; L71-V82 HydrophobicContact CD2-CB 4.15Å; L71-V82 HydrophobicContact CD2-CG1 3.91Å; L71-V82 HydrophobicContact CD2-CG2 3.7Å
72	C	92.7	Very high	88.5	Confident	5 Å²	5	41.5 Å²	41.5	3%	0.034	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	119.8	173.6	-162.3	0	0	0	0	110.1	A81 L113 Y115	C72-A81 HydrophobicContact CB-CB 4.39Å; C72-A81 PolarHBondContact N-O 2.82Å; C72-A81 PolarHBondContact O-N 3.02Å; C72-L113 HydrophobicContact CB-CB 3.75Å; C72-L113 PolarHBondContact SG-O 3.42Å; C72-Y115 HydrophobicContact CB-CD2 4.33Å; C72-Y115 HydrophobicContact CB-CE2 4.45Å
73	P	92.1	Very high	88.9	Confident	42 Å²	42	34.8 Å²	34.8	27%	0.273	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	141.2	177.2	35.8	-30.3	0	0	0	109.2	V27 L80	V27-P73 HydrophobicContact CG1-CB 3.79Å; V27-P73 HydrophobicContact CG1-CG 3.34Å; P73-L80 HydrophobicContact CB-CD1 4.29Å
74	S	89.6	Confident	89.5	Confident	8 Å²	8	34.5 Å²	34.5	6%	0.056	18%	0.182	C	C	.	.			trans	-61.9	147.7	169.5	58	0	0	0	0	110.9	D76 G77 L78 H79	S74-D76 PolarHBondContact O-N 3.4Å; S74-G77 PolarHBondContact O-N 3.09Å; S74-G77 VanDerWaalsContact O-N 3.08Å; S74-G77 PolarHBondContact OG-N 3.41Å; S74-L78 PolarHBondContact OG-N 2.81Å; S74-H79 WeakPolarHBondContact CB-O 3.5Å; S74-H79 PolarHBondContact N-O 3.27Å; S74-H79 WeakPolarHBondContact OG-CA 3.35Å; S74-H79 PolarHBondContact OG-N 3.08Å; S74-H79 PolarHBondContact OG-O 3.24Å
75	P	84.8	Confident	90	Very high	56 Å²	56	32.4 Å²	32.4	36%	0.364	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-33.4	172.8	-23.3	32.2	0	0	0	113.1	G77 D116	P75-G77 VanDerWaalsContact C-N 3.25Å; P75-G77 PolarHBondContact O-N 3.27Å; P75-D116 WeakPolarHBondContact CG-O 3.45Å
76	D	82.5	Confident	90.2	Very high	105 Å²	105	28.8 Å²	28.8	56%	0.561	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-20.4	179.7	-56.7	-26.9	0	0	0	112.9	S74 L78	S74-D76 PolarHBondContact O-N 3.4Å; D76-L78 VanDerWaalsContact C-N 3.27Å; D76-L78 PolarHBondContact O-N 3.18Å
77	G	82.9	Confident	90.3	Very high	10 Å²	10	25.1 Å²	25.1	10%	0.103	14%	0.14	C	C	.	.	S	Bend	trans	75.8	11.9	179.2	0	0	0	0	0	114.6	T30 S74 P75 L94	T30-G77 WeakPolarHBondContact OG1-CA 3.39Å; T30-G77 PolarHBondContact OG1-O 2.9Å; S74-G77 PolarHBondContact O-N 3.09Å; S74-G77 VanDerWaalsContact O-N 3.08Å; S74-G77 PolarHBondContact OG-N 3.41Å; P75-G77 VanDerWaalsContact C-N 3.25Å; P75-G77 PolarHBondContact O-N 3.27Å; G77-L94 WeakPolarHBondContact O-CD1 3.38Å
78	L	86.3	Confident	90.3	Very high	84 Å²	84	25.5 Å²	25.5	44%	0.44	14%	0.142	S	C	.	.	S	Bend	trans	-97.6	-35.3	178.7	-66.7	175.7	0	0	0	112.6	S74 D76 L94 L95	S74-L78 PolarHBondContact OG-N 2.81Å; D76-L78 VanDerWaalsContact C-N 3.27Å; D76-L78 PolarHBondContact O-N 3.18Å; L78-L94 VanDerWaalsContact O-CB 3.32Å; L78-L94 WeakPolarHBondContact O-CB 3.48Å; L78-L94 WeakPolarHBondContact O-CG 3.28Å; L78-L94 PolarHBondContact O-N 3.09Å; L78-L95 HydrophobicContact CD2-CD1 4.13Å
79	H	90	Very high	90.2	Very high	56 Å²	56	25.5 Å²	25.5	26%	0.259	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	153.2	-176.5	-58.3	-65	0	0	0	112.2	S74 I91 F92	S74-H79 WeakPolarHBondContact CB-O 3.5Å; S74-H79 PolarHBondContact N-O 3.27Å; S74-H79 WeakPolarHBondContact OG-CA 3.35Å; S74-H79 PolarHBondContact OG-N 3.08Å; S74-H79 PolarHBondContact OG-O 3.24Å; H79-I91 HydrophobicContact CB-CG2 3.84Å; H79-F92 CarbonylContact C-O 3.58Å; H79-F92 VanDerWaalsContact CA-O 3.27Å; H79-F92 WeakPolarHBondContact CA-O 3.23Å
80	L	92.9	Very high	90.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	119.3	172.9	-177.5	71.4	0	0	0	108.9	V29 A40 V47 L61 L71 P73 V82 I91 F92 L94	V29-L80 HydrophobicContact CG2-CD1 4.5Å; A40-L80 HydrophobicContact CB-CD2 4.04Å; V47-L80 HydrophobicContact CG1-CD2 4.17Å; L61-L80 HydrophobicContact CD1-CD2 3.67Å; L71-L80 HydrophobicContact CD2-CD2 4.42Å; P73-L80 HydrophobicContact CB-CD1 4.29Å; L80-V82 HydrophobicContact CD2-CG2 4.17Å; L80-V82 HydrophobicContact CG-CG2 4.17Å; L80-I91 WeakPolarHBondContact O-CA 3.34Å; L80-F92 PolarHBondContact N-O 2.98Å; L80-F92 PolarHBondContact O-N 3.21Å; L80-L94 HydrophobicContact CB-CD2 4.05Å; L80-L94 HydrophobicContact CB-CG 4.36Å; L80-L94 HydrophobicContact CD2-CD2 4.47Å
81	A	93.6	Very high	90.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	133.2	168.7	0	0	0	0	0	109.9	L71 C72 I89 R90 I91 L113 Y115 L122	L71-A81 WeakPolarHBondContact CA-O 3.38Å; C72-A81 HydrophobicContact CB-CB 4.39Å; C72-A81 PolarHBondContact N-O 2.82Å; C72-A81 PolarHBondContact O-N 3.02Å; A81-I89 HydrophobicContact CB-CG2 4.49Å; A81-R90 CarbonylContact C-O 3.59Å; A81-R90 WeakPolarHBondContact CA-O 3.44Å; A81-I91 HydrophobicContact CB-CG1 4.45Å; A81-L113 HydrophobicContact CB-CD1 4.23Å; A81-Y115 HydrophobicContact CB-CE2 3.62Å; A81-Y115 WeakPolarHBondContact CB-OH 3.42Å; A81-L122 HydrophobicContact CB-CD1 4.24Å; A81-L122 HydrophobicContact CB-CD2 4.1Å
82	V	94.3	Very high	90.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	119.5	-178	-177.8	0	0	0	0	107.4	V47 V68 C70 L71 L80 Y84 I89 R90 F92	V47-V82 HydrophobicContact CG2-CG1 3.87Å; V47-V82 HydrophobicContact CG2-CG2 3.99Å; V68-V82 HydrophobicContact CB-CG1 4.23Å; V68-V82 HydrophobicContact CG1-CG1 3.54Å; V68-V82 HydrophobicContact CG2-CG1 3.66Å; C70-V82 WeakPolarHBondContact O-CA 3.36Å; L71-V82 HydrophobicContact CD2-CB 4.15Å; L71-V82 HydrophobicContact CD2-CG1 3.91Å; L71-V82 HydrophobicContact CD2-CG2 3.7Å; L80-V82 HydrophobicContact CD2-CG2 4.17Å; L80-V82 HydrophobicContact CG-CG2 4.17Å; V82-Y84 HydrophobicContact CB-CE2 4.27Å; V82-Y84 HydrophobicContact CG1-CD2 4.48Å; V82-Y84 HydrophobicContact CG1-CE1 4.39Å; V82-Y84 HydrophobicContact CG1-CE2 3.81Å; V82-I89 CarbonylContact O-C 3.55Å; V82-I89 WeakPolarHBondContact O-CA 3.42Å; V82-R90 PolarHBondContact N-O 3.34Å; V82-R90 PolarHBondContact O-N 3.42Å; V82-F92 HydrophobicContact CB-CD2 4.19Å; V82-F92 HydrophobicContact CB-CE2 4.07Å; V82-F92 HydrophobicContact CG2-CD2 3.55Å; V82-F92 HydrophobicContact CG2-CE2 3.83Å
83	G	94.3	Very high	90	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	141.5	174	0	0	0	0	0	111.5	T69 C70	T69-G83 PolarHBondContact N-O 3.42Å; T69-G83 PolarHBondContact OG1-O 3.09Å; C70-G83 PolarHBondContact N-O 3.48Å; C70-G83 PolarHBondContact O-N 3.13Å; C70-G83 VanDerWaalsContact SG-CA 3.59Å
84	Y	93.3	Very high	89.7	Confident	4 Å²	4	25.4 Å²	25.4	2%	0.016	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	168.2	-175.8	-67	-87.2	0	0	0	112.7	G63 Q66 E67 V68 V82 D86 G87 S88 R90 I110	G63-Y84 WeakPolarHBondContact CA-OH 3.38Å; Q66-Y84 HydrophobicContact CB-CD1 4.33Å; Q66-Y84 VanDerWaalsContact O-CD1 3.27Å; Q66-Y84 WeakPolarHBondContact O-CD1 3.48Å; E67-Y84 CarbonylContact O-C 3.51Å; E67-Y84 WeakPolarHBondContact O-CA 3.3Å; V68-Y84 HydrophobicContact CG2-CD1 4Å; V68-Y84 HydrophobicContact CG2-CE1 3.55Å; V82-Y84 HydrophobicContact CB-CE2 4.27Å; V82-Y84 HydrophobicContact CG1-CD2 4.48Å; V82-Y84 HydrophobicContact CG1-CE1 4.39Å; V82-Y84 HydrophobicContact CG1-CE2 3.81Å; Y84-D86 VanDerWaalsContact C-N 3.32Å; Y84-D86 WeakPolarHBondContact CB-OD1 3.38Å; Y84-D86 PolarHBondContact O-N 3.5Å; Y84-G87 PolarHBondContact O-N 3.27Å; Y84-S88 WeakPolarHBondContact CD2-O 3.37Å; Y84-S88 WeakPolarHBondContact CD2-OG 3.29Å; Y84-S88 PolarHBondContact N-O 3.02Å; Y84-R90 HydrophobicContact CD2-CG 4.3Å; Y84-R90 HydrophobicContact CE2-CB 3.89Å; Y84-R90 HydrophobicContact CE2-CG 3.59Å; Y84-I110 PolarHBondContact O-N 3.5Å
85	E	90.4	Very high	89.6	Confident	68 Å²	68	31.2 Å²	31.2	32%	0.318	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-24.7	179.7	-175.5	160.9	-150.9	0	0	114.2	K23 E67 T69 G87 A109	K23-E85 IonicContact NZ-OE1 3.22Å; K23-E85 PolarHBondContact NZ-OE1 3.45Å; K23-E85 IonicContact NZ-OE2 3.79Å; K23-E85 PolarHBondContact NZ-OE2 2.92Å; E67-E85 PolarHBondContact O-N 3.35Å; T69-E85 HydrophobicContact CG2-CB 4.02Å; E85-G87 VanDerWaalsContact C-N 3.26Å; E85-G87 PolarHBondContact O-N 2.99Å; E85-A109 HydrophobicContact CB-CB 4.49Å; E85-A109 HydrophobicContact CG-CB 4.16Å; E85-A109 WeakPolarHBondContact O-CA 3.38Å; E85-A109 WeakPolarHBondContact O-CB 3.45Å; E85-A109 PolarHBondContact O-N 3.13Å
86	D	86.1	Confident	89.6	Confident	61 Å²	61	31.5 Å²	31.5	33%	0.326	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-7.5	175.4	60.6	-2.8	0	0	0	114	Q66 Y84 S88	Q66-D86 HydrophobicContact CG-CB 3.89Å; Y84-D86 VanDerWaalsContact C-N 3.32Å; Y84-D86 WeakPolarHBondContact CB-OD1 3.38Å; Y84-D86 PolarHBondContact O-N 3.5Å; D86-S88 VanDerWaalsContact OD1-CB 3.29Å; D86-S88 WeakPolarHBondContact OD1-CB 3.38Å; D86-S88 PolarHBondContact OD1-N 2.91Å; D86-S88 PolarHBondContact OD1-OG 3.07Å; D86-S88 PolarHBondContact OD2-OG 2.84Å
87	G	87.3	Confident	89.5	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.01	15%	0.148	C	C	.	.	S	Bend	trans	90.3	5.9	-174.6	0	0	0	0	0	114.5	Y84 E85 A108 I110	Y84-G87 PolarHBondContact O-N 3.27Å; E85-G87 VanDerWaalsContact C-N 3.26Å; E85-G87 PolarHBondContact O-N 2.99Å; G87-A108 WeakPolarHBondContact CA-O 3.38Å; G87-I110 VanDerWaalsContact C-CD1 3.44Å; G87-I110 WeakPolarHBondContact O-CD1 3.17Å
88	S	89.6	Confident	89.6	Confident	8 Å²	8	32.9 Å²	32.9	6%	0.056	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	145.3	172.2	70.4	0	0	0	0	111.6	Y84 D86 F103 N104 I110	Y84-S88 WeakPolarHBondContact CD2-O 3.37Å; Y84-S88 WeakPolarHBondContact CD2-OG 3.29Å; Y84-S88 PolarHBondContact N-O 3.02Å; D86-S88 VanDerWaalsContact OD1-CB 3.29Å; D86-S88 WeakPolarHBondContact OD1-CB 3.38Å; D86-S88 PolarHBondContact OD1-N 2.91Å; D86-S88 PolarHBondContact OD1-OG 3.07Å; D86-S88 PolarHBondContact OD2-OG 2.84Å; S88-F103 CarbonylContact C-O 3.59Å; S88-F103 WeakPolarHBondContact CA-O 3.45Å; S88-N104 VanDerWaalsContact CB-OD1 3.25Å; S88-N104 WeakPolarHBondContact CB-OD1 3.04Å; S88-I110 WeakPolarHBondContact O-CD1 3.4Å
89	I	92.7	Very high	89.3	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.3	174.4	-51.5	161.3	0	0	0	107.7	A81 V82 T102 F103 I110 L113 L122 S124 W134	A81-I89 HydrophobicContact CB-CG2 4.49Å; V82-I89 CarbonylContact O-C 3.55Å; V82-I89 WeakPolarHBondContact O-CA 3.42Å; I89-T102 CarbonylContact O-C 3.6Å; I89-T102 WeakPolarHBondContact O-CA 3.29Å; I89-F103 HydrophobicContact CB-CB 4.14Å; I89-F103 HydrophobicContact CB-CD2 4.3Å; I89-F103 HydrophobicContact CG2-CD2 4.4Å; I89-F103 PolarHBondContact N-O 2.97Å; I89-F103 PolarHBondContact O-N 2.95Å; I89-I110 HydrophobicContact CB-CD1 4.49Å; I89-I110 HydrophobicContact CD1-CD1 4.33Å; I89-I110 HydrophobicContact CG1-CD1 3.39Å; I89-I110 HydrophobicContact CG1-CG1 4.22Å; I89-L113 HydrophobicContact CD1-CD2 3.86Å; I89-L113 HydrophobicContact CG1-CD2 4.21Å; I89-L113 HydrophobicContact CG2-CD1 4.16Å; I89-L113 HydrophobicContact CG2-CD2 4.26Å; I89-L122 HydrophobicContact CG2-CD2 4.1Å; I89-S124 VanDerWaalsContact CD1-CB 3.47Å; I89-W134 HydrophobicContact CD1-CZ2 4.43Å
90	R	91.9	Very high	88.8	Confident	44 Å²	44	32.7 Å²	32.7	17%	0.166	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	138.2	174.1	-63.7	-174.5	176.2	-149.1	-15.7	111.4	L64 A81 V82 Y84 F92 V101 T102	L64-R90 VanDerWaalsContact CG-NH2 3.26Å; A81-R90 CarbonylContact C-O 3.59Å; A81-R90 WeakPolarHBondContact CA-O 3.44Å; V82-R90 PolarHBondContact N-O 3.34Å; V82-R90 PolarHBondContact O-N 3.42Å; Y84-R90 HydrophobicContact CD2-CG 4.3Å; Y84-R90 HydrophobicContact CE2-CB 3.89Å; Y84-R90 HydrophobicContact CE2-CG 3.59Å; R90-F92 HydrophobicContact CB-CD2 4.18Å; R90-F92 HydrophobicContact CB-CE2 3.63Å; R90-F92 HydrophobicContact CB-CZ 4.23Å; R90-V101 VanDerWaalsContact CA-O 3.3Å; R90-V101 WeakPolarHBondContact CA-O 3.26Å; R90-T102 HydrophobicContact CG-CG2 3.89Å
91	I	92.6	Very high	88.5	Confident	3 Å²	3	33.2 Å²	33.2	2%	0.015	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	115.1	173.1	-60.2	-177.7	0	0	0	108.3	H79 L80 A81 N100 V101 F103 V136	H79-I91 HydrophobicContact CB-CG2 3.84Å; L80-I91 WeakPolarHBondContact O-CA 3.34Å; A81-I91 HydrophobicContact CB-CG1 4.45Å; I91-N100 PolarHBondContact O-N 3.19Å; I91-V101 HydrophobicContact CB-CB 4.37Å; I91-V101 PolarHBondContact N-O 3.41Å; I91-F103 HydrophobicContact CD1-CE2 3.63Å; I91-F103 HydrophobicContact CD1-CZ 4.27Å; I91-F103 HydrophobicContact CG1-CE2 4.3Å; I91-V136 HydrophobicContact CD1-CB 4.43Å; I91-V136 HydrophobicContact CD1-CG1 3.7Å; I91-V136 HydrophobicContact CD1-CG2 4.13Å
92	F	92.3	Very high	88.2	Confident	4 Å²	4	34.1 Å²	34.1	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	140.2	176.4	-70.3	-88.1	0	0	0	110.9	L61 H79 L80 V82 R90 E98	L61-F92 HydrophobicContact CB-CD1 4.05Å; L61-F92 HydrophobicContact CB-CE1 4.19Å; L61-F92 HydrophobicContact CB-CG 4.24Å; L61-F92 HydrophobicContact CB-CZ 4.49Å; L61-F92 HydrophobicContact CD1-CB 3.89Å; L61-F92 HydrophobicContact CD1-CD2 4.39Å; L61-F92 HydrophobicContact CD1-CG 4.05Å; L61-F92 HydrophobicContact CD2-CB 4.12Å; L61-F92 HydrophobicContact CD2-CD1 4.11Å; L61-F92 HydrophobicContact CD2-CG 4.28Å; L61-F92 HydrophobicContact CG-CD1 4.48Å; L61-F92 HydrophobicContact CG-CG 4.43Å; H79-F92 CarbonylContact C-O 3.58Å; H79-F92 VanDerWaalsContact CA-O 3.27Å; H79-F92 WeakPolarHBondContact CA-O 3.23Å; L80-F92 PolarHBondContact N-O 2.98Å; L80-F92 PolarHBondContact O-N 3.21Å; V82-F92 HydrophobicContact CB-CD2 4.19Å; V82-F92 HydrophobicContact CB-CE2 4.07Å; V82-F92 HydrophobicContact CG2-CD2 3.55Å; V82-F92 HydrophobicContact CG2-CE2 3.83Å; R90-F92 HydrophobicContact CB-CD2 4.18Å; R90-F92 HydrophobicContact CB-CE2 3.63Å; R90-F92 HydrophobicContact CB-CZ 4.23Å; F92-E98 WeakPolarHBondContact CA-O 2.71Å
93	S	90	Very high	87.9	Confident	15 Å²	15	34.2 Å²	34.2	11%	0.105	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	127.5	165.1	178.3	0	0	0	0	109.6	L95 S96 G97 E98	S93-L95 PolarHBondContact O-N 3.31Å; S93-S96 WeakPolarHBondContact CB-OG 3.3Å; S93-G97 VanDerWaalsContact O-CA 3.25Å; S93-G97 WeakPolarHBondContact O-CA 3.46Å; S93-G97 PolarHBondContact O-N 2.96Å; S93-E98 PolarHBondContact N-O 3.37Å
94	L	87.1	Confident	87.5	Confident	6 Å²	6	36 Å²	36	3%	0.031	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-15.6	179.9	-67.7	168.4	0	0	0	113	V29 L31 I49 G77 L78 L80	V29-L94 HydrophobicContact CG1-CD1 3.33Å; V29-L94 HydrophobicContact CG1-CD2 3.77Å; V29-L94 HydrophobicContact CG1-CG 4.14Å; L31-L94 HydrophobicContact CD2-CB 4.06Å; L31-L94 VanDerWaalsContact CD2-O 3.3Å; L31-L94 WeakPolarHBondContact CD2-O 3.2Å; I49-L94 HydrophobicContact CD1-CD2 3.65Å; G77-L94 WeakPolarHBondContact O-CD1 3.38Å; L78-L94 VanDerWaalsContact O-CB 3.32Å; L78-L94 WeakPolarHBondContact O-CB 3.48Å; L78-L94 WeakPolarHBondContact O-CG 3.28Å; L78-L94 PolarHBondContact O-N 3.09Å; L80-L94 HydrophobicContact CB-CD2 4.05Å; L80-L94 HydrophobicContact CB-CG 4.36Å; L80-L94 HydrophobicContact CD2-CD2 4.47Å
95	L	86.9	Confident	86.9	Confident	131 Å²	131	35.8 Å²	35.8	69%	0.686	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-46.7	179	-68	173	0	0	0	112.1	L78 S93	L78-L95 HydrophobicContact CD2-CD1 4.13Å; S93-L95 PolarHBondContact O-N 3.31Å
96	S	84.3	Confident	86.7	Confident	62 Å²	62	32.6 Å²	32.6	43%	0.434	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-28.6	179.6	57	0	0	0	0	112.9	S93 E98	S93-S96 WeakPolarHBondContact CB-OG 3.3Å; S96-E98 PolarHBondContact OG-N 2.67Å
97	G	81.2	Confident	86.6	Confident	13 Å²	13	34.2 Å²	34.2	13%	0.134	19%	0.192	C	C	.	.			trans	78.2	4	-170.5	0	0	0	0	0	114.1	S93	S93-G97 VanDerWaalsContact O-CA 3.25Å; S93-G97 WeakPolarHBondContact O-CA 3.46Å; S93-G97 PolarHBondContact O-N 2.96Å
98	E	85.9	Confident	86.6	Confident	131 Å²	131	35.5 Å²	35.5	61%	0.612	20%	0.202	S	C	*	.			trans	-85.1	146.2	178.8	-66	174.1	168	0	0	111	F92 S93 S96	F92-E98 WeakPolarHBondContact CA-O 2.71Å; S93-E98 PolarHBondContact N-O 3.37Å; S96-E98 PolarHBondContact OG-N 2.67Å
99	G	79.8	Confident	86.7	Confident	44 Å²	44	36 Å²	36	45%	0.454	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	111.8	171.4	0	0	0	0	0	109.1
100	N	79.5	Confident	86.8	Confident	91 Å²	91	36.1 Å²	36.1	49%	0.487	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-44.7	-177.6	-69.7	7.9	0	0	0	111	I91	I91-N100 PolarHBondContact O-N 3.19Å
101	V	85	Confident	86.9	Confident	12 Å²	12	36.7 Å²	36.7	7%	0.073	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136.8	-167.9	-171.1	0	0	0	0	110.5	R90 I91 F103 E139	R90-V101 VanDerWaalsContact CA-O 3.3Å; R90-V101 WeakPolarHBondContact CA-O 3.26Å; I91-V101 HydrophobicContact CB-CB 4.37Å; I91-V101 PolarHBondContact N-O 3.41Å; V101-F103 HydrophobicContact CG1-CD1 4.09Å; V101-F103 HydrophobicContact CG1-CE1 3.49Å; V101-F103 VanDerWaalsContact CG1-CE1 3.49Å; V101-F103 HydrophobicContact CG1-CE2 4.26Å; V101-F103 HydrophobicContact CG1-CZ 3.6Å; V101-E139 HydrophobicContact CG1-CB 3.94Å; V101-E139 HydrophobicContact CG1-CG 3.75Å; V101-E139 HydrophobicContact CG2-CG 3.94Å; V101-E139 WeakPolarHBondContact CG2-OE1 3.48Å
102	T	88.1	Confident	86.8	Confident	19 Å²	19	37.2 Å²	37.2	12%	0.117	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.6	173.7	50.2	0	0	0	0	109.6	I89 R90 R816 S818	I89-T102 CarbonylContact O-C 3.6Å; I89-T102 WeakPolarHBondContact O-CA 3.29Å; R90-T102 HydrophobicContact CG-CG2 3.89Å; T102-R816 PolarHBondContact OG1-NH1 2.82Å; T102-S818 VanDerWaalsContact O-CB 3.27Å; T102-S818 WeakPolarHBondContact O-CB 2.97Å; T102-S818 PolarHBondContact O-OG 2.84Å
103	F	88.2	Confident	86.9	Confident	1 Å²	1	37.4 Å²	37.4	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.4	171.2	-58.3	-51.9	0	0	0	110.7	S88 I89 I91 V101 L122 W134 E139	S88-F103 CarbonylContact C-O 3.59Å; S88-F103 WeakPolarHBondContact CA-O 3.45Å; I89-F103 HydrophobicContact CB-CB 4.14Å; I89-F103 HydrophobicContact CB-CD2 4.3Å; I89-F103 HydrophobicContact CG2-CD2 4.4Å; I89-F103 PolarHBondContact N-O 2.97Å; I89-F103 PolarHBondContact O-N 2.95Å; I91-F103 HydrophobicContact CD1-CE2 3.63Å; I91-F103 HydrophobicContact CD1-CZ 4.27Å; I91-F103 HydrophobicContact CG1-CE2 4.3Å; V101-F103 HydrophobicContact CG1-CD1 4.09Å; V101-F103 HydrophobicContact CG1-CE1 3.49Å; V101-F103 VanDerWaalsContact CG1-CE1 3.49Å; V101-F103 HydrophobicContact CG1-CE2 4.26Å; V101-F103 HydrophobicContact CG1-CZ 3.6Å; F103-L122 HydrophobicContact CE2-CD2 4.45Å; F103-W134 HydrophobicContact CB-CD2 4.02Å; F103-W134 HydrophobicContact CB-CE3 3.87Å; F103-W134 HydrophobicContact CB-CH2 4.01Å; F103-W134 HydrophobicContact CB-CZ2 4.12Å; F103-W134 HydrophobicContact CB-CZ3 3.88Å; F103-W134 HydrophobicContact CD1-CD2 4.3Å; F103-W134 AromaticContact CD1-CE3 3.68Å; F103-W134 HydrophobicContact CD1-CE3 3.68Å; F103-W134 HydrophobicContact CD1-CZ3 4.09Å; F103-W134 HydrophobicContact CD2-CB 4.35Å; F103-W134 HydrophobicContact CD2-CD2 4.15Å; F103-W134 HydrophobicContact CD2-CE3 4.35Å; F103-W134 HydrophobicContact CD2-CG 4.14Å; F103-W134 HydrophobicContact CE1-CE3 4.3Å; F103-W134 HydrophobicContact CE2-CB 4.13Å; F103-W134 HydrophobicContact CE2-CG 4.41Å; F103-W134 AromaticContact CG-CD2 3.92Å; F103-W134 HydrophobicContact CG-CD2 3.92Å; F103-W134 AromaticContact CG-CE3 3.72Å; F103-W134 HydrophobicContact CG-CE3 3.72Å; F103-W134 HydrophobicContact CG-CG 4.38Å; F103-W134 HydrophobicContact CG-CZ3 4.17Å; F103-W134 HydrophobicContact CZ-CB 4.42Å; F103-E139 HydrophobicContact CE1-CB 4.03Å
104	N	85.1	Confident	87.1	Confident	37 Å²	37	40.7 Å²	40.7	20%	0.198	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124.5	174.3	-64.3	-30.9	0	0	0	107.6	S88 T750	S88-N104 VanDerWaalsContact CB-OD1 3.25Å; S88-N104 WeakPolarHBondContact CB-OD1 3.04Å; N104-T750 HydrophobicContact CB-CG2 4.27Å
105	G	80.2	Confident	87.3	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.01	24%	0.235	C	C	.	.			trans	-169.8	-30.5	179.5	0	0	0	0	0	114
106	H	87.4	Confident	87.4	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	21%	0.211	C	C	.	.			trans	-76.6	149.2	171.2	-69.2	-67	0	0	0	111.6	S124 S126 D128 D130	H106-S124 WeakPolarHBondContact NE2-CB 3.42Å; H106-S124 PolarHBondContact NE2-OG 2.84Å; H106-S126 VanDerWaalsContact CG-CB 3.43Å; H106-S126 WeakPolarHBondContact ND1-CB 3.47Å; H106-D128 VanDerWaalsContact CA-OD2 3.26Å; H106-D128 WeakPolarHBondContact CA-OD2 3.11Å; H106-D128 WeakPolarHBondContact CB-OD2 3.24Å; H106-D128 IonicContact CG-OD2 3.3Å; H106-D128 IonicContact ND1-OD1 3.69Å; H106-D128 PolarHBondContact ND1-OD1 2.95Å; H106-D128 IonicContact ND1-OD2 3.96Å; H106-D128 PolarHBondContact ND1-OD2 3.42Å; H106-D130 PolarHBondContact CE1-O 3.38Å; H106-D130 VanDerWaalsContact CE1-O 3.23Å
107	K	83.2	Confident	87.4	Confident	95 Å²	95	38.3 Å²	38.3	41%	0.413	21%	0.212	S	C	.	.	S	Bend	trans	-90	-22.5	175.9	-65.6	-174.2	176.4	-172.7	0	112.5	D128 D731	K107-D128 HydrophobicContact CB-CB 4.19Å; K107-D128 PolarHBondContact N-OD2 3.21Å; K107-D731 IonicContact NZ-OD1 3.81Å; K107-D731 PolarHBondContact NZ-OD1 2.96Å
108	A	88.8	Confident	87.5	Confident	28 Å²	28	44.6 Å²	44.6	23%	0.231	24%	0.241	C	C	.	.	S	Bend	trans	-133.6	174.7	-176.4	0	0	0	0	0	111.5	G87 I110 S126 K127 D128	G87-A108 WeakPolarHBondContact CA-O 3.38Å; A108-I110 PolarHBondContact O-N 3.48Å; A108-S126 VanDerWaalsContact C-OG 3.29Å; A108-S126 PolarHBondContact O-OG 3.01Å; A108-K127 HydrophobicContact CB-CB 4.06Å; A108-D128 HydrophobicContact CB-CB 3.97Å
109	A	91.3	Very high	87.4	Confident	19 Å²	19	38.8 Å²	38.8	16%	0.157	22%	0.217	C	C	.	.			trans	-48.4	130.4	-179.4	0	0	0	0	0	113.6	T69 E85 T111 S126 K127	T69-A109 HydrophobicContact CG2-CB 4.36Å; E85-A109 HydrophobicContact CB-CB 4.49Å; E85-A109 HydrophobicContact CG-CB 4.16Å; E85-A109 WeakPolarHBondContact O-CA 3.38Å; E85-A109 WeakPolarHBondContact O-CB 3.45Å; E85-A109 PolarHBondContact O-N 3.13Å; A109-T111 PolarHBondContact O-N 3.43Å; A109-S126 PolarHBondContact O-OG 3.33Å; A109-S126 VanDerWaalsContact O-OG 3.05Å; A109-K127 PolarHBondContact O-N 2.96Å
110	I	94.6	Very high	87.7	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	130.3	174.3	-61.6	137.1	0	0	0	108.7	T69 C70 Y84 G87 S88 I89 A108 L113 G125	T69-I110 VanDerWaalsContact CB-O 3.28Å; T69-I110 WeakPolarHBondContact CB-O 3.21Å; T69-I110 PolarHBondContact OG1-O 2.79Å; C70-I110 WeakPolarHBondContact SG-CG2 3.47Å; Y84-I110 PolarHBondContact O-N 3.5Å; G87-I110 VanDerWaalsContact C-CD1 3.44Å; G87-I110 WeakPolarHBondContact O-CD1 3.17Å; S88-I110 WeakPolarHBondContact O-CD1 3.4Å; I89-I110 HydrophobicContact CB-CD1 4.49Å; I89-I110 HydrophobicContact CD1-CD1 4.33Å; I89-I110 HydrophobicContact CG1-CD1 3.39Å; I89-I110 HydrophobicContact CG1-CG1 4.22Å; A108-I110 PolarHBondContact O-N 3.48Å; I110-L113 HydrophobicContact CG2-CD1 4.46Å; I110-L113 HydrophobicContact CG2-CD2 4.01Å; I110-L113 HydrophobicContact CG2-CG 3.87Å; I110-G125 WeakPolarHBondContact CG2-O 3.43Å
111	T	92.9	Very high	88.2	Confident	57 Å²	57	36.5 Å²	36.5	35%	0.35	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-33.5	-178.8	53.8	0	0	0	0	111.7	A109 G125 K127 I152	A109-T111 PolarHBondContact O-N 3.43Å; T111-G125 PolarHBondContact N-O 3.25Å; T111-G125 PolarHBondContact OG1-O 3.16Å; T111-K127 HydrophobicContact CG2-CB 4.29Å; T111-I152 WeakPolarHBondContact CB-O 3.4Å; T111-I152 PolarHBondContact OG1-O 3.34Å
112	T	92.1	Very high	88.6	Confident	14 Å²	14	35.9 Å²	35.9	9%	0.086	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	142.9	-175.3	-166.6	0	0	0	0	111.7	S124 G125 I152 A155	T112-S124 WeakPolarHBondContact O-CA 3.23Å; T112-G125 PolarHBondContact N-O 2.9Å; T112-G125 PolarHBondContact O-N 2.64Å; T112-I152 HydrophobicContact CG2-CG2 3.91Å; T112-A155 HydrophobicContact CG2-CB 3.96Å
113	L	94.4	Very high	88.9	Confident	8 Å²	8	35 Å²	35	4%	0.042	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	131.4	174.1	-73.9	173.8	0	0	0	109	C70 C72 A81 I89 I110 L122 A123 S124	C70-L113 WeakPolarHBondContact SG-CD1 3.19Å; C72-L113 HydrophobicContact CB-CB 3.75Å; C72-L113 PolarHBondContact SG-O 3.42Å; A81-L113 HydrophobicContact CB-CD1 4.23Å; I89-L113 HydrophobicContact CD1-CD2 3.86Å; I89-L113 HydrophobicContact CG1-CD2 4.21Å; I89-L113 HydrophobicContact CG2-CD1 4.16Å; I89-L113 HydrophobicContact CG2-CD2 4.26Å; I110-L113 HydrophobicContact CG2-CD1 4.46Å; I110-L113 HydrophobicContact CG2-CD2 4.01Å; I110-L113 HydrophobicContact CG2-CG 3.87Å; L113-L122 HydrophobicContact CD2-CD1 4.38Å; L113-L122 HydrophobicContact CD2-CD2 4.37Å; L113-L122 HydrophobicContact CD2-CG 4.43Å; L113-A123 WeakPolarHBondContact CA-O 3.41Å; L113-S124 VanDerWaalsContact CD2-CB 3.46Å
114	K	92.9	Very high	89.2	Confident	83 Å²	83	35 Å²	35	36%	0.361	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	129.6	171.4	-77.9	-57.6	-177.2	-176	0	112	A123 A155 L156 F157	K114-A123 PolarHBondContact N-O 3.32Å; K114-A123 PolarHBondContact O-N 2.86Å; K114-A155 WeakPolarHBondContact CG-O 3.15Å; K114-L156 HydrophobicContact CG-CD2 4.48Å; K114-F157 WeakPolarHBondContact O-CE2 3.46Å
115	Y	92.5	Very high	89.7	Confident	22 Å²	22	33.2 Å²	33.2	9%	0.086	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	150.1	167	-78.7	-79.2	0	0	0	111	C72 A81 L122 V136	C72-Y115 HydrophobicContact CB-CD2 4.33Å; C72-Y115 HydrophobicContact CB-CE2 4.45Å; A81-Y115 HydrophobicContact CB-CE2 3.62Å; A81-Y115 WeakPolarHBondContact CB-OH 3.42Å; Y115-L122 HydrophobicContact CD1-CB 4.2Å; Y115-L122 HydrophobicContact CD1-CD1 3.96Å; Y115-L122 HydrophobicContact CD2-CD1 3.95Å; Y115-L122 HydrophobicContact CE1-CB 4.16Å; Y115-L122 HydrophobicContact CE1-CD1 3.99Å; Y115-L122 HydrophobicContact CE2-CD1 3.97Å; Y115-L122 HydrophobicContact CG-CD1 3.95Å; Y115-V136 HydrophobicContact CD1-CG2 4.43Å; Y115-V136 HydrophobicContact CE1-CG2 3.79Å
116	D	89	Confident	90.3	Very high	31 Å²	31	33.1 Å²	33.1	17%	0.166	17%	0.174	C	C	.	.			trans	-66.8	161.9	161.7	-176.9	25.1	0	0	0	110.9	P75 L118 G119 R121 F157	P75-D116 WeakPolarHBondContact CG-O 3.45Å; D116-L118 PolarHBondContact O-N 3.25Å; D116-G119 PolarHBondContact O-N 2.97Å; D116-R121 HydrophobicContact CB-CB 3.98Å; D116-R121 PolarHBondContact N-O 3.48Å; D116-F157 HydrophobicContact CB-CD2 4.12Å; D116-F157 HydrophobicContact CB-CE2 4.25Å; D116-F157 HydrophobicContact CB-CG 4.42Å
117	Q	83	Confident	90.5	Very high	97 Å²	97	39.6 Å²	39.6	45%	0.453	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-32.2	-177	-177	57.6	58.9	0	0	113
118	L	83.9	Confident	90.8	Very high	144 Å²	144	36.3 Å²	36.3	75%	0.754	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-10.2	175.8	-65.3	175.9	0	0	0	113.4	D116 G120	D116-L118 PolarHBondContact O-N 3.25Å; L118-G120 PolarHBondContact O-N 3.41Å
119	G	83.5	Confident	90.9	Very high	10 Å²	10	36.4 Å²	36.4	10%	0.103	19%	0.187	C	C	.	.	S	Bend	trans	77.2	-3.2	-178.9	0	0	0	0	0	115.9	D116	D116-G119 PolarHBondContact O-N 2.97Å
120	G	86.3	Confident	90.8	Very high	19 Å²	19	35.9 Å²	35.9	20%	0.196	18%	0.181	C	C	.	.	S	Bend	trans	-75.5	-30.6	179.9	0	0	0	0	0	114.5	L118 V136	L118-G120 PolarHBondContact O-N 3.41Å; G120-V136 PolarHBondContact O-N 3.2Å
121	R	90.9	Very high	90.7	Very high	67 Å²	67	35.8 Å²	35.8	25%	0.253	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	145.3	178.2	-62	176.1	-176.5	178.7	-0.7	111.1	D116 V133 W134 F157	D116-R121 HydrophobicContact CB-CB 3.98Å; D116-R121 PolarHBondContact N-O 3.48Å; R121-V133 HydrophobicContact CB-CG1 4.45Å; R121-W134 CarbonylContact C-O 3.58Å; R121-W134 VanDerWaalsContact CA-O 3.3Å; R121-W134 WeakPolarHBondContact CA-O 3.24Å; R121-F157 HydrophobicContact CB-CZ 4.39Å
122	L	93.3	Very high	90.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	120	177	175.5	71.3	0	0	0	109.2	A81 I89 F103 L113 Y115 W134 V136	A81-L122 HydrophobicContact CB-CD1 4.24Å; A81-L122 HydrophobicContact CB-CD2 4.1Å; I89-L122 HydrophobicContact CG2-CD2 4.1Å; F103-L122 HydrophobicContact CE2-CD2 4.45Å; L113-L122 HydrophobicContact CD2-CD1 4.38Å; L113-L122 HydrophobicContact CD2-CD2 4.37Å; L113-L122 HydrophobicContact CD2-CG 4.43Å; Y115-L122 HydrophobicContact CD1-CB 4.2Å; Y115-L122 HydrophobicContact CD1-CD1 3.96Å; Y115-L122 HydrophobicContact CD2-CD1 3.95Å; Y115-L122 HydrophobicContact CE1-CB 4.16Å; Y115-L122 HydrophobicContact CE1-CD1 3.99Å; Y115-L122 HydrophobicContact CE2-CD1 3.97Å; Y115-L122 HydrophobicContact CG-CD1 3.95Å; L122-W134 HydrophobicContact CB-CB 4.27Å; L122-W134 PolarHBondContact N-O 3.42Å; L122-W134 PolarHBondContact O-N 3.39Å; L122-V136 HydrophobicContact CB-CG2 3.96Å
123	A	94	Very high	90.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	131	170.3	0	0	0	0	0	110	L113 K114 I132 F157 L164	L113-A123 WeakPolarHBondContact CA-O 3.41Å; K114-A123 PolarHBondContact N-O 3.32Å; K114-A123 PolarHBondContact O-N 2.86Å; A123-I132 CarbonylContact C-O 3.53Å; A123-I132 WeakPolarHBondContact CA-O 3.45Å; A123-F157 HydrophobicContact CB-CD2 4.45Å; A123-F157 HydrophobicContact CB-CE1 4.45Å; A123-F157 HydrophobicContact CB-CE2 3.5Å; A123-F157 HydrophobicContact CB-CZ 3.51Å; A123-L164 HydrophobicContact CB-CD1 3.96Å
124	S	94.8	Very high	90.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.4	170.6	61.2	0	0	0	0	110.7	I89 H106 T112 L113 V131 I132 W134	I89-S124 VanDerWaalsContact CD1-CB 3.47Å; H106-S124 WeakPolarHBondContact NE2-CB 3.42Å; H106-S124 PolarHBondContact NE2-OG 2.84Å; T112-S124 WeakPolarHBondContact O-CA 3.23Å; L113-S124 VanDerWaalsContact CD2-CB 3.46Å; S124-V131 CarbonylContact O-C 3.55Å; S124-V131 VanDerWaalsContact O-CA 3.32Å; S124-V131 WeakPolarHBondContact O-CA 3.35Å; S124-I132 PolarHBondContact N-O 3.13Å; S124-I132 PolarHBondContact O-N 3.16Å; S124-I132 PolarHBondContact OG-O 3.36Å; S124-W134 PolarHBondContact OG-NE1 3.39Å
125	G	94.1	Very high	90.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.2	168.7	0	0	0	0	0	109.5	I110 T111 T112	I110-G125 WeakPolarHBondContact CG2-O 3.43Å; T111-G125 PolarHBondContact N-O 3.25Å; T111-G125 PolarHBondContact OG1-O 3.16Å; T112-G125 PolarHBondContact N-O 2.9Å; T112-G125 PolarHBondContact O-N 2.64Å
126	S	93.5	Very high	90.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	167.7	-178.4	170.9	0	0	0	0	112.2	H106 A108 A109 D128 T129 D130 I152	H106-S126 VanDerWaalsContact CG-CB 3.43Å; H106-S126 WeakPolarHBondContact ND1-CB 3.47Å; A108-S126 VanDerWaalsContact C-OG 3.29Å; A108-S126 PolarHBondContact O-OG 3.01Å; A109-S126 PolarHBondContact O-OG 3.33Å; A109-S126 VanDerWaalsContact O-OG 3.05Å; S126-D128 WeakPolarHBondContact CB-OD1 3.21Å; S126-D128 PolarHBondContact O-N 3.33Å; S126-D128 PolarHBondContact OG-N 3.23Å; S126-D128 PolarHBondContact OG-OD1 2.84Å; S126-T129 PolarHBondContact O-N 3Å; S126-D130 PolarHBondContact N-O 2.95Å; S126-I152 PolarHBondContact O-N 3.48Å
127	K	92.3	Very high	90.1	Very high	137 Å²	137	34.7 Å²	34.7	60%	0.596	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.7	169.1	-165.2	179	178.9	-173.7	0	112.5	A108 A109 T111 T129 A151	A108-K127 HydrophobicContact CB-CB 4.06Å; A109-K127 PolarHBondContact O-N 2.96Å; T111-K127 HydrophobicContact CG2-CB 4.29Å; K127-T129 PolarHBondContact O-N 3.31Å; K127-A151 HydrophobicContact CB-CB 4.37Å; K127-A151 HydrophobicContact CG-CB 4.01Å
128	D	88.7	Confident	89.9	Confident	26 Å²	26	34.2 Å²	34.2	14%	0.139	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	7.2	175.5	69.1	6.2	0	0	0	114.6	H106 K107 A108 S126 D130	H106-D128 VanDerWaalsContact CA-OD2 3.26Å; H106-D128 WeakPolarHBondContact CA-OD2 3.11Å; H106-D128 WeakPolarHBondContact CB-OD2 3.24Å; H106-D128 IonicContact CG-OD2 3.3Å; H106-D128 IonicContact ND1-OD1 3.69Å; H106-D128 PolarHBondContact ND1-OD1 2.95Å; H106-D128 IonicContact ND1-OD2 3.96Å; H106-D128 PolarHBondContact ND1-OD2 3.42Å; K107-D128 HydrophobicContact CB-CB 4.19Å; K107-D128 PolarHBondContact N-OD2 3.21Å; A108-D128 HydrophobicContact CB-CB 3.97Å; S126-D128 WeakPolarHBondContact CB-OD1 3.21Å; S126-D128 PolarHBondContact O-N 3.33Å; S126-D128 PolarHBondContact OG-N 3.23Å; S126-D128 PolarHBondContact OG-OD1 2.84Å; D128-D130 PolarHBondContact O-N 3.29Å; D128-D130 PolarHBondContact OD1-N 3.44Å
129	T	90.4	Very high	90	Very high	29 Å²	29	29.6 Å²	29.6	18%	0.178	15%	0.152	C	C	.	.	S	Bend	trans	75.5	-6	179.3	76.5	0	0	0	0	115.8	S126 K127 I152	S126-T129 PolarHBondContact O-N 3Å; K127-T129 PolarHBondContact O-N 3.31Å; T129-I152 WeakPolarHBondContact O-CD1 3.41Å
130	D	90.5	Very high	89.9	Confident	8 Å²	8	29.9 Å²	29.9	4%	0.043	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	143.6	-176.5	-64.9	-28.9	0	0	0	111.7	H106 S126 D128 R144 K146 I152	H106-D130 PolarHBondContact CE1-O 3.38Å; H106-D130 VanDerWaalsContact CE1-O 3.23Å; S126-D130 PolarHBondContact N-O 2.95Å; D128-D130 PolarHBondContact O-N 3.29Å; D128-D130 PolarHBondContact OD1-N 3.44Å; D130-R144 HydrophobicContact CB-CG 4.41Å; D130-R144 IonicContact OD2-CZ 3.97Å; D130-R144 IonicContact OD2-NE 2.73Å; D130-R144 PolarHBondContact OD2-NE 2.84Å; D130-R144 IonicContact OD2-NH2 3.67Å; D130-R144 PolarHBondContact OD2-NH2 3.19Å; D130-K146 WeakPolarHBondContact OD1-CG 3.4Å; D130-I152 WeakPolarHBondContact O-CD1 3.17Å
131	V	92.3	Very high	89.8	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.2	170.8	-174.8	0	0	0	0	107.5	S124 L145 I152 L164 T166	S124-V131 CarbonylContact O-C 3.55Å; S124-V131 VanDerWaalsContact O-CA 3.32Å; S124-V131 WeakPolarHBondContact O-CA 3.35Å; V131-L145 HydrophobicContact CB-CB 4.23Å; V131-L145 PolarHBondContact N-O 3.35Å; V131-L145 VanDerWaalsContact N-O 3.13Å; V131-L145 PolarHBondContact O-N 2.97Å; V131-I152 HydrophobicContact CB-CD1 4.3Å; V131-I152 HydrophobicContact CG2-CD1 3.33Å; V131-I152 HydrophobicContact CG2-CG1 3.94Å; V131-L164 HydrophobicContact CG1-CD2 3.8Å; V131-T166 HydrophobicContact CG1-CG2 4.25Å; V131-T166 HydrophobicContact CG2-CG2 3.93Å
132	I	92.2	Very high	89.4	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.6	176.9	-58.1	173.5	0	0	0	109.3	A123 S124 W134 Y143 R144 T746	A123-I132 CarbonylContact C-O 3.53Å; A123-I132 WeakPolarHBondContact CA-O 3.45Å; S124-I132 PolarHBondContact N-O 3.13Å; S124-I132 PolarHBondContact O-N 3.16Å; S124-I132 PolarHBondContact OG-O 3.36Å; I132-W134 HydrophobicContact CB-CZ2 3.97Å; I132-W134 HydrophobicContact CD1-CH2 4.42Å; I132-W134 HydrophobicContact CD1-CZ2 3.85Å; I132-W134 HydrophobicContact CG2-CD2 3.83Å; I132-W134 HydrophobicContact CG2-CE3 4.36Å; I132-W134 HydrophobicContact CG2-CG 4.33Å; I132-W134 HydrophobicContact CG2-CH2 4Å; I132-W134 HydrophobicContact CG2-CZ2 3.44Å; I132-W134 VanDerWaalsContact CG2-CZ2 3.44Å; I132-W134 HydrophobicContact CG2-CZ3 4.42Å; I132-Y143 WeakPolarHBondContact CA-O 3.29Å; I132-R144 HydrophobicContact CG1-CG 4.2Å; I132-T746 HydrophobicContact CG1-CG2 4.35Å; I132-T746 HydrophobicContact CG2-CG2 3.56Å
133	V	92.4	Very high	88.9	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	117.9	171.3	-178.3	0	0	0	0	108.3	R121 L142 Y143 L145 F157 L164 L178	R121-V133 HydrophobicContact CB-CG1 4.45Å; V133-L142 HydrophobicContact CG1-CD1 4.47Å; V133-L142 WeakPolarHBondContact O-CB 3.42Å; V133-L142 PolarHBondContact O-N 3.25Å; V133-Y143 HydrophobicContact CB-CD2 4.1Å; V133-Y143 HydrophobicContact CG1-CD2 4.37Å; V133-Y143 PolarHBondContact N-O 3.18Å; V133-Y143 PolarHBondContact O-N 3.24Å; V133-L145 HydrophobicContact CG2-CD1 4.34Å; V133-F157 HydrophobicContact CG1-CZ 4.33Å; V133-L164 HydrophobicContact CG2-CD2 4.23Å; V133-L178 HydrophobicContact CG2-CD2 4.01Å
134	W	91.9	Very high	88.6	Confident	7 Å²	7	31.8 Å²	31.8	3%	0.027	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	143.6	179.2	-53.2	92.1	0	0	0	110.8	I89 F103 R121 L122 S124 I132	I89-W134 HydrophobicContact CD1-CZ2 4.43Å; F103-W134 HydrophobicContact CB-CD2 4.02Å; F103-W134 HydrophobicContact CB-CE3 3.87Å; F103-W134 HydrophobicContact CB-CH2 4.01Å; F103-W134 HydrophobicContact CB-CZ2 4.12Å; F103-W134 HydrophobicContact CB-CZ3 3.88Å; F103-W134 HydrophobicContact CD1-CD2 4.3Å; F103-W134 AromaticContact CD1-CE3 3.68Å; F103-W134 HydrophobicContact CD1-CE3 3.68Å; F103-W134 HydrophobicContact CD1-CZ3 4.09Å; F103-W134 HydrophobicContact CD2-CB 4.35Å; F103-W134 HydrophobicContact CD2-CD2 4.15Å; F103-W134 HydrophobicContact CD2-CE3 4.35Å; F103-W134 HydrophobicContact CD2-CG 4.14Å; F103-W134 HydrophobicContact CE1-CE3 4.3Å; F103-W134 HydrophobicContact CE2-CB 4.13Å; F103-W134 HydrophobicContact CE2-CG 4.41Å; F103-W134 AromaticContact CG-CD2 3.92Å; F103-W134 HydrophobicContact CG-CD2 3.92Å; F103-W134 AromaticContact CG-CE3 3.72Å; F103-W134 HydrophobicContact CG-CE3 3.72Å; F103-W134 HydrophobicContact CG-CG 4.38Å; F103-W134 HydrophobicContact CG-CZ3 4.17Å; F103-W134 HydrophobicContact CZ-CB 4.42Å; R121-W134 CarbonylContact C-O 3.58Å; R121-W134 VanDerWaalsContact CA-O 3.3Å; R121-W134 WeakPolarHBondContact CA-O 3.24Å; L122-W134 HydrophobicContact CB-CB 4.27Å; L122-W134 PolarHBondContact N-O 3.42Å; L122-W134 PolarHBondContact O-N 3.39Å; S124-W134 PolarHBondContact OG-NE1 3.39Å; I132-W134 HydrophobicContact CB-CZ2 3.97Å; I132-W134 HydrophobicContact CD1-CH2 4.42Å; I132-W134 HydrophobicContact CD1-CZ2 3.85Å; I132-W134 HydrophobicContact CG2-CD2 3.83Å; I132-W134 HydrophobicContact CG2-CE3 4.36Å; I132-W134 HydrophobicContact CG2-CG 4.33Å; I132-W134 HydrophobicContact CG2-CH2 4Å; I132-W134 HydrophobicContact CG2-CZ2 3.44Å; I132-W134 VanDerWaalsContact CG2-CZ2 3.44Å; I132-W134 HydrophobicContact CG2-CZ3 4.42Å
135	D	89.7	Confident	88.3	Confident	22 Å²	22	31.8 Å²	31.8	12%	0.118	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	122.6	161.5	-167.8	-23	0	0	0	108.7	I137 N138 E139 S140 L142	D135-I137 PolarHBondContact OD1-N 3.39Å; D135-N138 HydrophobicContact CB-CB 4.13Å; D135-N138 PolarHBondContact OD1-N 2.91Å; D135-N138 PolarHBondContact OD2-ND2 3.49Å; D135-E139 VanDerWaalsContact O-CA 3.3Å; D135-E139 WeakPolarHBondContact O-CA 3.39Å; D135-E139 PolarHBondContact O-N 2.92Å; D135-E139 VanDerWaalsContact O-N 3.11Å; D135-S140 PolarHBondContact N-O 2.97Å; D135-S140 PolarHBondContact O-N 3.21Å; D135-L142 HydrophobicContact CB-CD1 3.96Å; D135-L142 HydrophobicContact CB-CD2 4.16Å; D135-L142 HydrophobicContact CB-CG 3.91Å
136	V	87.7	Confident	87.9	Confident	25 Å²	25	37 Å²	37	15%	0.152	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-28.1	-177.4	179	0	0	0	0	111.1	I91 Y115 G120 L122	I91-V136 HydrophobicContact CD1-CB 4.43Å; I91-V136 HydrophobicContact CD1-CG1 3.7Å; I91-V136 HydrophobicContact CD1-CG2 4.13Å; Y115-V136 HydrophobicContact CD1-CG2 4.43Å; Y115-V136 HydrophobicContact CE1-CG2 3.79Å; G120-V136 PolarHBondContact O-N 3.2Å; L122-V136 HydrophobicContact CB-CG2 3.96Å
137	I	86.1	Confident	87.5	Confident	137 Å²	137	38.2 Å²	38.2	70%	0.703	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-46.5	-175	-58.5	170.7	0	0	0	110	D135 E139	D135-I137 PolarHBondContact OD1-N 3.39Å; I137-E139 PolarHBondContact O-N 2.9Å
138	N	80.2	Confident	87.4	Confident	87 Å²	87	32.1 Å²	32.1	47%	0.465	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-9	176.3	-70.9	-41.8	0	0	0	112.9	D135 S140 R854	D135-N138 HydrophobicContact CB-CB 4.13Å; D135-N138 PolarHBondContact OD1-N 2.91Å; D135-N138 PolarHBondContact OD2-ND2 3.49Å; N138-S140 PolarHBondContact O-N 3.01Å; N138-R854 PolarHBondContact O-NH1 3.49Å
139	E	85.2	Confident	87.4	Confident	48 Å²	48	39.1 Å²	39.1	22%	0.224	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	39.8	-177.2	-53.4	179	175.3	0	0	112.7	V101 F103 D135 I137 S817 S818	V101-E139 HydrophobicContact CG1-CB 3.94Å; V101-E139 HydrophobicContact CG1-CG 3.75Å; V101-E139 HydrophobicContact CG2-CG 3.94Å; V101-E139 WeakPolarHBondContact CG2-OE1 3.48Å; F103-E139 HydrophobicContact CE1-CB 4.03Å; D135-E139 VanDerWaalsContact O-CA 3.3Å; D135-E139 WeakPolarHBondContact O-CA 3.39Å; D135-E139 PolarHBondContact O-N 2.92Å; D135-E139 VanDerWaalsContact O-N 3.11Å; I137-E139 PolarHBondContact O-N 2.9Å; E139-S817 WeakPolarHBondContact OE2-CB 3.49Å; E139-S817 PolarHBondContact OE2-OG 3.3Å; E139-S818 VanDerWaalsContact O-CA 3.26Å; E139-S818 WeakPolarHBondContact O-CA 3.16Å; E139-S818 WeakPolarHBondContact O-CB 3.46Å
140	S	81.9	Confident	87.5	Confident	15 Å²	15	40.4 Å²	40.4	11%	0.105	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	143.8	-174.1	67.4	0	0	0	0	110.6	D135 N138 L142	D135-S140 PolarHBondContact N-O 2.97Å; D135-S140 PolarHBondContact O-N 3.21Å; N138-S140 PolarHBondContact O-N 3.01Å; S140-L142 PolarHBondContact O-N 3.25Å
141	G	83.4	Confident	87.6	Confident	7 Å²	7	40.6 Å²	40.6	7%	0.072	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	116.5	168	0	0	0	0	0	110.2	T746	G141-T746 WeakPolarHBondContact CA-OG1 3.44Å; G141-T746 PolarHBondContact O-OG1 3.37Å
142	L	83.6	Confident	87.7	Confident	59 Å²	59	40.6 Å²	40.6	31%	0.309	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-53.9	-177.7	-66.4	170.8	0	0	0	110.8	V133 D135 S140	V133-L142 HydrophobicContact CG1-CD1 4.47Å; V133-L142 WeakPolarHBondContact O-CB 3.42Å; V133-L142 PolarHBondContact O-N 3.25Å; D135-L142 HydrophobicContact CB-CD1 3.96Å; D135-L142 HydrophobicContact CB-CD2 4.16Å; D135-L142 HydrophobicContact CB-CG 3.91Å; S140-L142 PolarHBondContact O-N 3.25Å
143	Y	83.1	Confident	87.7	Confident	42 Å²	42	41.7 Å²	41.7	17%	0.165	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	133	-170.3	-45.2	-55.3	0	0	0	110.8	I132 V133 L178 Q181	I132-Y143 WeakPolarHBondContact CA-O 3.29Å; V133-Y143 HydrophobicContact CB-CD2 4.1Å; V133-Y143 HydrophobicContact CG1-CD2 4.37Å; V133-Y143 PolarHBondContact N-O 3.18Å; V133-Y143 PolarHBondContact O-N 3.24Å; Y143-L178 HydrophobicContact CD2-CD2 4.48Å; Y143-Q181 HydrophobicContact CD1-CG 3.67Å; Y143-Q181 VanDerWaalsContact CE1-CD 3.47Å; Y143-Q181 HydrophobicContact CE1-CG 3.85Å; Y143-Q181 HydrophobicContact CG-CG 4.14Å
144	R	86.6	Confident	87.6	Confident	18 Å²	18	42.5 Å²	42.5	7%	0.068	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	110	162.2	-167.8	177.2	-171.3	142.1	6.7	107.8	D130 I132 S743 Y744 T746	D130-R144 HydrophobicContact CB-CG 4.41Å; D130-R144 IonicContact OD2-CZ 3.97Å; D130-R144 IonicContact OD2-NE 2.73Å; D130-R144 PolarHBondContact OD2-NE 2.84Å; D130-R144 IonicContact OD2-NH2 3.67Å; D130-R144 PolarHBondContact OD2-NH2 3.19Å; I132-R144 HydrophobicContact CG1-CG 4.2Å; R144-S743 WeakPolarHBondContact O-CA 3.47Å; R144-Y744 VanDerWaalsContact CB-O 3.3Å; R144-Y744 WeakPolarHBondContact CB-O 3.39Å; R144-T746 HydrophobicContact CB-CG2 3.67Å
145	L	87.9	Confident	87.7	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	109.2	179	-58.1	172	0	0	0	108.4	V131 V133 L164 W176 L178 Q181	V131-L145 HydrophobicContact CB-CB 4.23Å; V131-L145 PolarHBondContact N-O 3.35Å; V131-L145 VanDerWaalsContact N-O 3.13Å; V131-L145 PolarHBondContact O-N 2.97Å; V133-L145 HydrophobicContact CG2-CD1 4.34Å; L145-L164 HydrophobicContact CD1-CD2 3.82Å; L145-W176 HydrophobicContact CB-CD2 4.07Å; L145-W176 HydrophobicContact CB-CE3 3.82Å; L145-W176 HydrophobicContact CB-CH2 4.1Å; L145-W176 HydrophobicContact CB-CZ2 4.35Å; L145-W176 HydrophobicContact CB-CZ3 3.82Å; L145-W176 HydrophobicContact CD1-CB 3.94Å; L145-W176 HydrophobicContact CD1-CD2 3.94Å; L145-W176 HydrophobicContact CD1-CE3 4.13Å; L145-W176 HydrophobicContact CD1-CG 3.85Å; L145-W176 HydrophobicContact CD2-CE3 3.85Å; L145-W176 HydrophobicContact CD2-CZ3 4.29Å; L145-W176 HydrophobicContact CG-CD2 4.4Å; L145-W176 HydrophobicContact CG-CE3 4.14Å; L145-L178 HydrophobicContact CD1-CD2 4.4Å; L145-Q181 HydrophobicContact CD2-CB 4.41Å
146	K	85.8	Confident	87.7	Confident	110 Å²	110	42.3 Å²	42.3	48%	0.478	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.9	178.5	-169.2	168.8	-170.7	179.1	0	110.2	D130 W176 D742	D130-K146 WeakPolarHBondContact OD1-CG 3.4Å; K146-W176 WeakPolarHBondContact O-CH2 3.43Å; K146-D742 PolarHBondContact N-O 3.06Å
147	G	85.1	Confident	87.8	Confident	25 Å²	25	42.3 Å²	42.3	26%	0.258	22%	0.215	S	C	.	.			trans	177.6	-21.2	174.2	0	0	0	0	0	115.7	K174	G147-K174 WeakPolarHBondContact O-CE 3.12Å; G147-K174 PolarHBondContact O-NZ 2.82Å
148	H	90.1	Very high	87.6	Confident	9 Å²	9	36 Å²	36	4%	0.042	18%	0.182	C	C	.	.			trans	-69.2	149.4	169.3	-77.8	-71.5	0	0	0	110.7	I152 T166 D170	H148-I152 HydrophobicContact CB-CG1 4.44Å; H148-T166 PolarHBondContact NE2-OG1 3.26Å; H148-D170 WeakPolarHBondContact CA-OD2 3.08Å; H148-D170 IonicContact CG-OD2 3.52Å; H148-D170 IonicContact ND1-OD1 3.22Å; H148-D170 PolarHBondContact ND1-OD1 2.64Å; H148-D170 IonicContact ND1-OD2 2.61Å; H148-D170 PolarHBondContact ND1-OD2 3.29Å
149	K	90.1	Very high	87.3	Confident	173 Å²	173	39.2 Å²	39.2	75%	0.752	19%	0.188	S	C	*	.	S	Bend	trans	-95.4	-19.7	178.9	-66.9	-175.7	179	-179.2	0	113.2	D170 M172	K149-D170 HydrophobicContact CB-CB 4.07Å; K149-D170 PolarHBondContact N-OD2 2.97Å; K149-M172 HydrophobicContact CD-CE 4.48Å
150	D	91.6	Very high	86.6	Confident	55 Å²	55	44.2 Å²	44.2	29%	0.294	21%	0.211	S	C	.	.	S	Bend	trans	-139.3	175.4	-179.7	-161.3	-7.4	0	0	0	108.8	I152 K169 D170	D150-I152 PolarHBondContact O-N 2.96Å; D150-K169 HydrophobicContact CB-CB 4.12Å; D150-K169 IonicContact OD1-NZ 3.92Å; D150-K169 WeakPolarHBondContact OD2-CG 3.22Å; D150-K169 IonicContact OD2-NZ 3.7Å; D150-K169 PolarHBondContact OD2-NZ 2.8Å; D150-D170 HydrophobicContact CB-CB 4.1Å
151	A	92.6	Very high	86.2	Confident	12 Å²	12	46.6 Å²	46.6	10%	0.099	22%	0.22	C	C	.	.			trans	-49.3	137.3	-174.7	0	0	0	0	0	113	K127 K169	K127-A151 HydrophobicContact CB-CB 4.37Å; K127-A151 HydrophobicContact CG-CB 4.01Å; A151-K169 WeakPolarHBondContact O-CB 3.49Å; A151-K169 PolarHBondContact O-N 3.3Å
152	I	94.6	Very high	86.3	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	136.2	174.8	-64.2	140	0	0	0	108.5	T111 T112 S126 T129 D130 V131 H148 D150	T111-I152 WeakPolarHBondContact CB-O 3.4Å; T111-I152 PolarHBondContact OG1-O 3.34Å; T112-I152 HydrophobicContact CG2-CG2 3.91Å; S126-I152 PolarHBondContact O-N 3.48Å; T129-I152 WeakPolarHBondContact O-CD1 3.41Å; D130-I152 WeakPolarHBondContact O-CD1 3.17Å; V131-I152 HydrophobicContact CB-CD1 4.3Å; V131-I152 HydrophobicContact CG2-CD1 3.33Å; V131-I152 HydrophobicContact CG2-CG1 3.94Å; H148-I152 HydrophobicContact CB-CG1 4.44Å; D150-I152 PolarHBondContact O-N 2.96Å
153	T	91.8	Very high	86.5	Confident	23 Å²	23	47.5 Å²	47.5	14%	0.141	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-39.7	179.8	53.5	0	0	0	0	111.7	S167 K169 V194 W195	T153-S167 PolarHBondContact N-O 3.07Å; T153-S167 PolarHBondContact OG1-O 2.85Å; T153-S167 VanDerWaalsContact OG1-O 3.06Å; T153-S167 PolarHBondContact OG1-OG 3.19Å; T153-K169 HydrophobicContact CG2-CB 4.32Å; T153-V194 WeakPolarHBondContact CB-O 3.29Å; T153-V194 VanDerWaalsContact CG2-O 3.27Å; T153-V194 WeakPolarHBondContact CG2-O 3.47Å; T153-V194 PolarHBondContact OG1-O 3.47Å; T153-W195 HydrophobicContact CG2-CD2 4.4Å; T153-W195 HydrophobicContact CG2-CE3 4.11Å; T153-W195 HydrophobicContact CG2-CZ3 4.44Å
154	Q	91.5	Very high	86.9	Confident	16 Å²	16	45.5 Å²	45.5	8%	0.075	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	147.5	-179.7	-166.5	161.7	-0.8	0	0	111.8	T166 S167 L197	Q154-T166 WeakPolarHBondContact O-CA 3.41Å; Q154-S167 WeakPolarHBondContact CB-OG 3.29Å; Q154-S167 PolarHBondContact N-O 3.23Å; Q154-S167 PolarHBondContact N-OG 3.1Å; Q154-S167 PolarHBondContact O-N 3.23Å; Q154-S167 PolarHBondContact O-OG 2.98Å; Q154-L197 HydrophobicContact CB-CB 4.08Å; Q154-L197 HydrophobicContact CG-CB 4.19Å; Q154-L197 PolarHBondContact NE2-O 3.22Å; Q154-L197 PolarHBondContact OE1-O 2.97Å
155	A	92.5	Very high	87.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.5	173.5	0	0	0	0	0	109.7	T112 K114 V165 T166	T112-A155 HydrophobicContact CG2-CB 3.96Å; K114-A155 WeakPolarHBondContact CG-O 3.15Å; A155-V165 CarbonylContact C-O 3.56Å; A155-V165 WeakPolarHBondContact CA-O 3.39Å; A155-T166 HydrophobicContact CB-CG2 4.11Å
156	L	90.1	Very high	87.3	Confident	25 Å²	25	44.6 Å²	44.6	13%	0.131	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	133.2	178.6	-71.3	174.3	0	0	0	111.1	K114 L164 V165 L197 L199	K114-L156 HydrophobicContact CG-CD2 4.48Å; L156-L164 WeakPolarHBondContact O-CD1 3.47Å; L156-V165 PolarHBondContact N-O 2.78Å; L156-V165 PolarHBondContact O-N 3.35Å; L156-L197 HydrophobicContact CD1-CB 4.47Å; L156-L197 HydrophobicContact CD1-CD2 4.05Å; L156-L197 HydrophobicContact CD1-CG 4.03Å; L156-L197 WeakPolarHBondContact CD1-O 3.49Å; L156-L197 HydrophobicContact CG-CD2 4.38Å; L156-L199 HydrophobicContact CB-CD1 4.37Å; L156-L199 HydrophobicContact CD1-CD1 4.44Å; L156-L199 HydrophobicContact CD1-CG 4.26Å
157	F	89.5	Confident	87.6	Confident	26 Å²	26	39.4 Å²	39.4	11%	0.114	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	146	166.8	-71.8	-72.6	0	0	0	110.9	K114 D116 R121 A123 V133 L164 L178	K114-F157 WeakPolarHBondContact O-CE2 3.46Å; D116-F157 HydrophobicContact CB-CD2 4.12Å; D116-F157 HydrophobicContact CB-CE2 4.25Å; D116-F157 HydrophobicContact CB-CG 4.42Å; R121-F157 HydrophobicContact CB-CZ 4.39Å; A123-F157 HydrophobicContact CB-CD2 4.45Å; A123-F157 HydrophobicContact CB-CE1 4.45Å; A123-F157 HydrophobicContact CB-CE2 3.5Å; A123-F157 HydrophobicContact CB-CZ 3.51Å; V133-F157 HydrophobicContact CG1-CZ 4.33Å; F157-L164 HydrophobicContact CD1-CD1 3.72Å; F157-L164 HydrophobicContact CD2-CD1 4.42Å; F157-L164 HydrophobicContact CE1-CD1 3.73Å; F157-L164 HydrophobicContact CE2-CD1 4.44Å; F157-L164 HydrophobicContact CG-CD1 4.08Å; F157-L164 HydrophobicContact CZ-CD1 4.11Å; F157-L178 HydrophobicContact CD1-CD1 4.14Å; F157-L178 HydrophobicContact CE1-CD1 3.8Å
158	L	83.3	Confident	88	Confident	5 Å²	5	38.2 Å²	38.2	3%	0.026	18%	0.177	C	C	.	.			trans	-87.1	144.6	164.8	-73.5	146	0	0	0	109.3	L163 V165 W175 L199 E203	L158-L163 HydrophobicContact CB-CB 4.37Å; L158-L163 HydrophobicContact CD1-CB 3.39Å; L158-L163 HydrophobicContact CD1-CD1 4.17Å; L158-L163 HydrophobicContact CD1-CG 4.41Å; L158-L163 HydrophobicContact CG-CB 4.47Å; L158-L163 PolarHBondContact N-O 2.71Å; L158-L163 VanDerWaalsContact N-O 3.11Å; L158-V165 HydrophobicContact CD1-CG2 3.83Å; L158-V165 HydrophobicContact CG-CG2 4.48Å; L158-W175 HydrophobicContact CD1-CE3 4.15Å; L158-W175 HydrophobicContact CD1-CH2 4.46Å; L158-W175 HydrophobicContact CD1-CZ3 3.57Å; L158-L199 HydrophobicContact CD2-CD1 3.65Å; L158-L199 HydrophobicContact CD2-CD2 4.25Å; L158-L199 HydrophobicContact CG-CD1 4.02Å; L158-E203 HydrophobicContact CD2-CB 3.85Å; L158-E203 HydrophobicContact CD2-CG 3.97Å; L158-E203 WeakPolarHBondContact CD2-OE2 3.3Å
159	R	73.4	Confident	88.1	Confident	154 Å²	154	40.7 Å²	40.7	58%	0.581	19%	0.188	S	C	*	.	S	Bend	trans	-84	-36.6	-173.7	-69.3	172.4	150	166.9	-2.7	112.4	E203	R159-E203 WeakPolarHBondContact CA-OE1 3.32Å; R159-E203 WeakPolarHBondContact CB-OE1 2.99Å; R159-E203 WeakPolarHBondContact CG-OE1 3.29Å; R159-E203 VanDerWaalsContact N-CD 3.31Å; R159-E203 PolarHBondContact N-OE1 3.03Å; R159-E203 PolarHBondContact N-OE2 2.98Å
160	E	71.2	Confident	88.1	Confident	153 Å²	153	33.4 Å²	33.4	72%	0.715	16%	0.157	S	C	*	.	S	Bend	trans	-90.3	-24.7	-174.8	-64.4	-168	166.4	0	0	113
161	K	73.2	Confident	88	Confident	65 Å²	65	32.5 Å²	32.5	28%	0.283	15%	0.153	S	C	.	.	S	Bend	trans	-130	150	-176.2	-62	-171.5	177.6	-175.1	0	110.9	L163 Y222	K161-L163 HydrophobicContact CB-CD1 4.13Å; K161-L163 HydrophobicContact CB-CG 3.99Å; K161-L163 HydrophobicContact CD-CD1 4.31Å; K161-L163 PolarHBondContact O-N 2.9Å; K161-Y222 HydrophobicContact CD-CD1 4.07Å; K161-Y222 HydrophobicContact CD-CE1 3.75Å
162	N	84.3	Confident	88	Confident	75 Å²	75	33.9 Å²	33.9	40%	0.401	16%	0.158	S	C	.	.	S	Bend	trans	-71.2	52.4	174.9	-81.6	-5	0	0	0	112.6	L178 D179	N162-L178 HydrophobicContact CB-CB 4.43Å; N162-L178 WeakPolarHBondContact O-CB 3.39Å; N162-L178 WeakPolarHBondContact O-CG 3.5Å; N162-L178 PolarHBondContact O-N 3.48Å; N162-D179 PolarHBondContact ND2-OD1 3.28Å; N162-D179 VanDerWaalsContact ND2-OD1 3.09Å
163	L	88.3	Confident	87.8	Confident	10 Å²	10	33.9 Å²	33.9	5%	0.052	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	144.9	-177.2	-64.2	-178.4	0	0	0	110.1	L158 K161 W176 D177 F184	L158-L163 HydrophobicContact CB-CB 4.37Å; L158-L163 HydrophobicContact CD1-CB 3.39Å; L158-L163 HydrophobicContact CD1-CD1 4.17Å; L158-L163 HydrophobicContact CD1-CG 4.41Å; L158-L163 HydrophobicContact CG-CB 4.47Å; L158-L163 PolarHBondContact N-O 2.71Å; L158-L163 VanDerWaalsContact N-O 3.11Å; K161-L163 HydrophobicContact CB-CD1 4.13Å; K161-L163 HydrophobicContact CB-CG 3.99Å; K161-L163 HydrophobicContact CD-CD1 4.31Å; K161-L163 PolarHBondContact O-N 2.9Å; L163-W176 WeakPolarHBondContact CA-O 3.41Å; L163-D177 HydrophobicContact CD2-CB 3.8Å; L163-F184 HydrophobicContact CD1-CZ 4.45Å; L163-F184 HydrophobicContact CD2-CE1 3.9Å; L163-F184 HydrophobicContact CD2-CZ 4.43Å
164	L	90.7	Very high	87.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.2	177	179.7	78.8	0	0	0	109.6	A123 V131 V133 L145 L156 F157 T166 W176 L178	A123-L164 HydrophobicContact CB-CD1 3.96Å; V131-L164 HydrophobicContact CG1-CD2 3.8Å; V133-L164 HydrophobicContact CG2-CD2 4.23Å; L145-L164 HydrophobicContact CD1-CD2 3.82Å; L156-L164 WeakPolarHBondContact O-CD1 3.47Å; F157-L164 HydrophobicContact CD1-CD1 3.72Å; F157-L164 HydrophobicContact CD2-CD1 4.42Å; F157-L164 HydrophobicContact CE1-CD1 3.73Å; F157-L164 HydrophobicContact CE2-CD1 4.44Å; F157-L164 HydrophobicContact CG-CD1 4.08Å; F157-L164 HydrophobicContact CZ-CD1 4.11Å; L164-T166 HydrophobicContact CD2-CG2 3.96Å; L164-T166 HydrophobicContact CG-CG2 4Å; L164-W176 HydrophobicContact CB-CB 4.19Å; L164-W176 PolarHBondContact N-O 2.74Å; L164-W176 PolarHBondContact O-N 3.4Å; L164-L178 HydrophobicContact CB-CD2 4.05Å; L164-L178 HydrophobicContact CB-CG 4.42Å
165	V	91.7	Very high	87.8	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.8	176.2	-167.8	0	0	0	0	109.2	A155 L156 L158 V173 K174 W175 L197	A155-V165 CarbonylContact C-O 3.56Å; A155-V165 WeakPolarHBondContact CA-O 3.39Å; L156-V165 PolarHBondContact N-O 2.78Å; L156-V165 PolarHBondContact O-N 3.35Å; L158-V165 HydrophobicContact CD1-CG2 3.83Å; L158-V165 HydrophobicContact CG-CG2 4.48Å; V165-V173 HydrophobicContact CG1-CG1 3.64Å; V165-K174 WeakPolarHBondContact CA-O 3.48Å; V165-W175 HydrophobicContact CG1-CD2 4.27Å; V165-W175 HydrophobicContact CG1-CZ2 4.3Å; V165-W175 HydrophobicContact CG2-CD2 3.75Å; V165-W175 HydrophobicContact CG2-CE3 3.52Å; V165-W175 HydrophobicContact CG2-CH2 3.84Å; V165-W175 HydrophobicContact CG2-CZ2 4.06Å; V165-W175 HydrophobicContact CG2-CZ3 3.58Å; V165-L197 HydrophobicContact CB-CD2 4.21Å; V165-L197 HydrophobicContact CG1-CD1 4.48Å; V165-L197 HydrophobicContact CG1-CD2 3.82Å
166	T	92.9	Very high	87.7	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	141.2	-177.6	61.4	0	0	0	0	110.9	V131 H148 Q154 A155 L164 V173 K174 W176	V131-T166 HydrophobicContact CG1-CG2 4.25Å; V131-T166 HydrophobicContact CG2-CG2 3.93Å; H148-T166 PolarHBondContact NE2-OG1 3.26Å; Q154-T166 WeakPolarHBondContact O-CA 3.41Å; A155-T166 HydrophobicContact CB-CG2 4.11Å; L164-T166 HydrophobicContact CD2-CG2 3.96Å; L164-T166 HydrophobicContact CG-CG2 4Å; T166-V173 CarbonylContact O-C 3.58Å; T166-V173 WeakPolarHBondContact O-CA 3.47Å; T166-V173 WeakPolarHBondContact O-CG1 3.41Å; T166-K174 PolarHBondContact N-O 3.38Å; T166-K174 PolarHBondContact O-N 3.3Å; T166-W176 PolarHBondContact OG1-NE1 3.09Å
167	S	92.1	Very high	87.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	138.7	172.5	61.5	0	0	0	0	110.5	T153 Q154	T153-S167 PolarHBondContact N-O 3.07Å; T153-S167 PolarHBondContact OG1-O 2.85Å; T153-S167 VanDerWaalsContact OG1-O 3.06Å; T153-S167 PolarHBondContact OG1-OG 3.19Å; Q154-S167 WeakPolarHBondContact CB-OG 3.29Å; Q154-S167 PolarHBondContact N-O 3.23Å; Q154-S167 PolarHBondContact N-OG 3.1Å; Q154-S167 PolarHBondContact O-N 3.23Å; Q154-S167 PolarHBondContact O-OG 2.98Å
168	G	91.9	Very high	87.4	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	156.9	179	0	0	0	0	0	113	D170 T171 M172 V194	G168-D170 WeakPolarHBondContact CA-OD1 3.38Å; G168-D170 PolarHBondContact O-N 3.33Å; G168-T171 PolarHBondContact O-N 2.85Å; G168-M172 PolarHBondContact N-O 2.93Å; G168-V194 PolarHBondContact O-N 3.23Å
169	K	92.1	Very high	87.6	Confident	62 Å²	62	36.7 Å²	36.7	27%	0.27	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-17.5	166.4	-173.7	165.9	162.2	-91.9	0	111.9	D150 A151 T153 T171 E193 W195	D150-K169 HydrophobicContact CB-CB 4.12Å; D150-K169 IonicContact OD1-NZ 3.92Å; D150-K169 WeakPolarHBondContact OD2-CG 3.22Å; D150-K169 IonicContact OD2-NZ 3.7Å; D150-K169 PolarHBondContact OD2-NZ 2.8Å; A151-K169 WeakPolarHBondContact O-CB 3.49Å; A151-K169 PolarHBondContact O-N 3.3Å; T153-K169 HydrophobicContact CG2-CB 4.32Å; K169-T171 PolarHBondContact O-N 3.13Å; K169-E193 WeakPolarHBondContact CE-OE1 3.3Å; K169-E193 HydrophobicContact CG-CB 4.2Å; K169-E193 VanDerWaalsContact CG-CD 3.49Å; K169-E193 HydrophobicContact CG-CG 3.97Å; K169-E193 IonicContact NZ-OE1 3.65Å; K169-E193 WeakPolarHBondContact O-CB 3.11Å; K169-E193 VanDerWaalsContact O-CG 3.31Å; K169-E193 WeakPolarHBondContact O-CG 3.43Å; K169-W195 HydrophobicContact CD-CH2 4.45Å; K169-W195 HydrophobicContact CD-CZ2 4.29Å
170	D	90.4	Very high	88	Confident	19 Å²	19	33.1 Å²	33.1	10%	0.102	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	12.2	172.6	63.6	3	0	0	0	115.2	H148 K149 D150 G168 M172	H148-D170 WeakPolarHBondContact CA-OD2 3.08Å; H148-D170 IonicContact CG-OD2 3.52Å; H148-D170 IonicContact ND1-OD1 3.22Å; H148-D170 PolarHBondContact ND1-OD1 2.64Å; H148-D170 IonicContact ND1-OD2 2.61Å; H148-D170 PolarHBondContact ND1-OD2 3.29Å; K149-D170 HydrophobicContact CB-CB 4.07Å; K149-D170 PolarHBondContact N-OD2 2.97Å; D150-D170 HydrophobicContact CB-CB 4.1Å; G168-D170 WeakPolarHBondContact CA-OD1 3.38Å; G168-D170 PolarHBondContact O-N 3.33Å; D170-M172 PolarHBondContact O-N 3.36Å; D170-M172 WeakPolarHBondContact OD1-CB 3.22Å; D170-M172 PolarHBondContact OD1-N 3.34Å; D170-M172 VanDerWaalsContact OD1-N 3.16Å
171	T	90.8	Very high	88.7	Confident	37 Å²	37	28.4 Å²	28.4	23%	0.227	15%	0.146	C	C	.	.	S	Bend	trans	71.9	-2.6	-178.4	77.4	0	0	0	0	115.3	G168 K169 T192	G168-T171 PolarHBondContact O-N 2.85Å; K169-T171 PolarHBondContact O-N 3.13Å; T171-T192 WeakPolarHBondContact CB-O 3.25Å; T171-T192 WeakPolarHBondContact CG2-O 3.43Å
172	M	91	Very high	89.3	Confident	41 Å²	41	29.5 Å²	29.5	20%	0.202	15%	0.152	C	C	.	.			trans	-99.3	146.8	-172.4	-58.4	174	-154.7	0	0	111.2	K149 G168 D170 T186	K149-M172 HydrophobicContact CD-CE 4.48Å; G168-M172 PolarHBondContact N-O 2.93Å; D170-M172 PolarHBondContact O-N 3.36Å; D170-M172 WeakPolarHBondContact OD1-CB 3.22Å; D170-M172 PolarHBondContact OD1-N 3.34Å; D170-M172 VanDerWaalsContact OD1-N 3.16Å; M172-T186 HydrophobicContact CB-CG2 4.11Å; M172-T186 HydrophobicContact CG-CG2 4.26Å; M172-T186 HydrophobicContact SD-CG2 4.1Å
173	V	91.8	Very high	89.3	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.6	164.2	-179.3	0	0	0	0	107.7	V165 T166 M187 V194 L197 L206 T208	V165-V173 HydrophobicContact CG1-CG1 3.64Å; T166-V173 CarbonylContact O-C 3.58Å; T166-V173 WeakPolarHBondContact O-CA 3.47Å; T166-V173 WeakPolarHBondContact O-CG1 3.41Å; V173-M187 HydrophobicContact CB-CB 4.27Å; V173-M187 HydrophobicContact CB-CE 3.68Å; V173-M187 HydrophobicContact CG1-CE 3.67Å; V173-M187 HydrophobicContact CG2-CE 4.25Å; V173-M187 PolarHBondContact N-O 3.45Å; V173-M187 PolarHBondContact O-N 3.49Å; V173-V194 HydrophobicContact CG2-CG1 4.26Å; V173-V194 HydrophobicContact CG2-CG2 4.43Å; V173-L197 HydrophobicContact CG1-CD1 3.93Å; V173-L197 HydrophobicContact CG2-CD1 4.26Å; V173-L206 HydrophobicContact CG1-CD2 4.33Å; V173-T208 HydrophobicContact CG2-CG2 4.11Å
174	K	91.4	Very high	89.3	Confident	24 Å²	24	28.6 Å²	28.6	10%	0.104	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	145.3	-177.3	-70.1	-171.6	174.9	-131.6	0	111.2	G147 V165 T166 W176 T186	G147-K174 WeakPolarHBondContact O-CE 3.12Å; G147-K174 PolarHBondContact O-NZ 2.82Å; V165-K174 WeakPolarHBondContact CA-O 3.48Å; T166-K174 PolarHBondContact N-O 3.38Å; T166-K174 PolarHBondContact O-N 3.3Å; K174-W176 HydrophobicContact CB-CZ2 4.26Å; K174-W176 HydrophobicContact CD-CH2 4.49Å; K174-W176 HydrophobicContact CD-CZ2 3.8Å; K174-T186 HydrophobicContact CG-CG2 4.21Å
175	W	90.8	Very high	88.9	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126.7	176	-66.3	71	0	0	0	108.9	L158 V165 C183 F184 K185 L206 I220 L266	L158-W175 HydrophobicContact CD1-CE3 4.15Å; L158-W175 HydrophobicContact CD1-CH2 4.46Å; L158-W175 HydrophobicContact CD1-CZ3 3.57Å; V165-W175 HydrophobicContact CG1-CD2 4.27Å; V165-W175 HydrophobicContact CG1-CZ2 4.3Å; V165-W175 HydrophobicContact CG2-CD2 3.75Å; V165-W175 HydrophobicContact CG2-CE3 3.52Å; V165-W175 HydrophobicContact CG2-CH2 3.84Å; V165-W175 HydrophobicContact CG2-CZ2 4.06Å; V165-W175 HydrophobicContact CG2-CZ3 3.58Å; W175-C183 WeakPolarHBondContact O-CA 3.39Å; W175-F184 HydrophobicContact CB-CD1 4.4Å; W175-F184 HydrophobicContact CB-CE1 3.73Å; W175-F184 HydrophobicContact CB-CE2 4.38Å; W175-F184 HydrophobicContact CB-CZ 3.72Å; W175-F184 HydrophobicContact CE3-CZ 4.37Å; W175-F184 HydrophobicContact CG-CZ 4.47Å; W175-F184 PolarHBondContact O-N 3.31Å; W175-F184 VanDerWaalsContact O-N 3.17Å; W175-K185 HydrophobicContact CB-CB 4.07Å; W175-K185 HydrophobicContact CG-CB 4.33Å; W175-K185 PolarHBondContact N-O 3.2Å; W175-L206 HydrophobicContact CZ2-CD2 4.18Å; W175-I220 HydrophobicContact CH2-CD1 3.72Å; W175-I220 HydrophobicContact CH2-CG1 4.09Å; W175-I220 HydrophobicContact CH2-CG2 4.29Å; W175-I220 HydrophobicContact CZ2-CD1 4.25Å; W175-I220 HydrophobicContact CZ2-CG1 4.39Å; W175-L266 HydrophobicContact CD2-CD2 3.8Å; W175-L266 HydrophobicContact CE3-CD2 3.36Å; W175-L266 HydrophobicContact CH2-CD2 3.58Å; W175-L266 HydrophobicContact CZ2-CD2 3.98Å; W175-L266 HydrophobicContact CZ3-CD2 3.22Å
176	W	90.2	Very high	88.8	Confident	1 Å²	1	33 Å²	33	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133.3	-177.8	-53.8	89.8	0	0	0	108.6	L145 K146 L163 L164 T166 K174 C183	L145-W176 HydrophobicContact CB-CD2 4.07Å; L145-W176 HydrophobicContact CB-CE3 3.82Å; L145-W176 HydrophobicContact CB-CH2 4.1Å; L145-W176 HydrophobicContact CB-CZ2 4.35Å; L145-W176 HydrophobicContact CB-CZ3 3.82Å; L145-W176 HydrophobicContact CD1-CB 3.94Å; L145-W176 HydrophobicContact CD1-CD2 3.94Å; L145-W176 HydrophobicContact CD1-CE3 4.13Å; L145-W176 HydrophobicContact CD1-CG 3.85Å; L145-W176 HydrophobicContact CD2-CE3 3.85Å; L145-W176 HydrophobicContact CD2-CZ3 4.29Å; L145-W176 HydrophobicContact CG-CD2 4.4Å; L145-W176 HydrophobicContact CG-CE3 4.14Å; K146-W176 WeakPolarHBondContact O-CH2 3.43Å; L163-W176 WeakPolarHBondContact CA-O 3.41Å; L164-W176 HydrophobicContact CB-CB 4.19Å; L164-W176 PolarHBondContact N-O 2.74Å; L164-W176 PolarHBondContact O-N 3.4Å; T166-W176 PolarHBondContact OG1-NE1 3.09Å; K174-W176 HydrophobicContact CB-CZ2 4.26Å; K174-W176 HydrophobicContact CD-CH2 4.49Å; K174-W176 HydrophobicContact CD-CZ2 3.8Å; W176-C183 HydrophobicContact CD2-CB 4.09Å; W176-C183 HydrophobicContact CE3-CB 3.62Å; W176-C183 HydrophobicContact CH2-CB 3.77Å; W176-C183 HydrophobicContact CZ2-CB 4.21Å; W176-C183 HydrophobicContact CZ3-CB 3.47Å; W176-C183 VanDerWaalsContact CZ3-CB 3.47Å
177	D	88.2	Confident	88.5	Confident	23 Å²	23	33.7 Å²	33.7	12%	0.123	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	122.8	165.3	175.2	21.2	0	0	0	108.3	L163 D179 T180 Q181 H182 F184	L163-D177 HydrophobicContact CD2-CB 3.8Å; D177-D179 VanDerWaalsContact C-N 3.29Å; D177-D179 PolarHBondContact OD1-N 3Å; D177-T180 WeakPolarHBondContact CB-OG1 3.1Å; D177-T180 VanDerWaalsContact CG-OG1 3.28Å; D177-T180 WeakPolarHBondContact OD2-CB 3.47Å; D177-T180 VanDerWaalsContact OD2-CG2 3.28Å; D177-T180 WeakPolarHBondContact OD2-CG2 3.4Å; D177-T180 PolarHBondContact OD2-N 2.84Å; D177-T180 PolarHBondContact OD2-OG1 2.81Å; D177-Q181 VanDerWaalsContact O-CA 3.22Å; D177-Q181 WeakPolarHBondContact O-CA 3.27Å; D177-Q181 PolarHBondContact O-N 2.91Å; D177-H182 PolarHBondContact N-O 3.24Å; D177-F184 HydrophobicContact CB-CD1 3.92Å; D177-F184 HydrophobicContact CB-CE1 4.25Å
178	L	85.6	Confident	88	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.01	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-22.5	-176.2	-61.6	173.5	0	0	0	111.9	V133 Y143 L145 F157 N162 L164	V133-L178 HydrophobicContact CG2-CD2 4.01Å; Y143-L178 HydrophobicContact CD2-CD2 4.48Å; L145-L178 HydrophobicContact CD1-CD2 4.4Å; F157-L178 HydrophobicContact CD1-CD1 4.14Å; F157-L178 HydrophobicContact CE1-CD1 3.8Å; N162-L178 HydrophobicContact CB-CB 4.43Å; N162-L178 WeakPolarHBondContact O-CB 3.39Å; N162-L178 WeakPolarHBondContact O-CG 3.5Å; N162-L178 PolarHBondContact O-N 3.48Å; L164-L178 HydrophobicContact CB-CD2 4.05Å; L164-L178 HydrophobicContact CB-CG 4.42Å
179	D	86.7	Confident	87.1	Confident	105 Å²	105	40.7 Å²	40.7	56%	0.561	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-43.2	-180	-63.3	-25.4	0	0	0	110.3	N162 D177	N162-D179 PolarHBondContact ND2-OD1 3.28Å; N162-D179 VanDerWaalsContact ND2-OD1 3.09Å; D177-D179 VanDerWaalsContact C-N 3.29Å; D177-D179 PolarHBondContact OD1-N 3Å
180	T	83.6	Confident	86.6	Confident	78 Å²	78	38.4 Å²	38.4	48%	0.479	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-15.4	176.4	58.3	0	0	0	0	114.3	D177 H182	D177-T180 WeakPolarHBondContact CB-OG1 3.1Å; D177-T180 VanDerWaalsContact CG-OG1 3.28Å; D177-T180 WeakPolarHBondContact OD2-CB 3.47Å; D177-T180 VanDerWaalsContact OD2-CG2 3.28Å; D177-T180 WeakPolarHBondContact OD2-CG2 3.4Å; D177-T180 PolarHBondContact OD2-N 2.84Å; D177-T180 PolarHBondContact OD2-OG1 2.81Å; T180-H182 PolarHBondContact O-CD2 3.03Å; T180-H182 PolarHBondContact O-N 3.23Å
181	Q	84.8	Confident	86.3	Confident	55 Å²	55	49 Å²	49	26%	0.257	25%	0.252	S	S	.	.			trans	61.6	22.1	179.4	-52.7	167.9	28.5	0	0	114.8	Y143 L145 D177 S743	Y143-Q181 HydrophobicContact CD1-CG 3.67Å; Y143-Q181 VanDerWaalsContact CE1-CD 3.47Å; Y143-Q181 HydrophobicContact CE1-CG 3.85Å; Y143-Q181 HydrophobicContact CG-CG 4.14Å; L145-Q181 HydrophobicContact CD2-CB 4.41Å; D177-Q181 VanDerWaalsContact O-CA 3.22Å; D177-Q181 WeakPolarHBondContact O-CA 3.27Å; D177-Q181 PolarHBondContact O-N 2.91Å; Q181-S743 PolarHBondContact OE1-OG 3.25Å
182	H	84.9	Confident	86.2	Confident	87 Å²	87	49.4 Å²	49.4	40%	0.403	25%	0.254	S	S	.	.	S	Bend	trans	-117.2	152.1	178.8	-68.8	-67.6	0	0	0	111.8	D177 T180 F184 D742	D177-H182 PolarHBondContact N-O 3.24Å; T180-H182 PolarHBondContact O-CD2 3.03Å; T180-H182 PolarHBondContact O-N 3.23Å; H182-F184 PolarHBondContact O-N 2.94Å; H182-D742 IonicContact ND1-OD2 3.47Å
183	C	86.3	Confident	86.2	Confident	31 Å²	31	50.1 Å²	50.1	21%	0.209	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	103.6	169.8	174.5	0	0	0	0	108.6	W175 W176 T186	W175-C183 WeakPolarHBondContact O-CA 3.39Å; W176-C183 HydrophobicContact CD2-CB 4.09Å; W176-C183 HydrophobicContact CE3-CB 3.62Å; W176-C183 HydrophobicContact CH2-CB 3.77Å; W176-C183 HydrophobicContact CZ2-CB 4.21Å; W176-C183 HydrophobicContact CZ3-CB 3.47Å; W176-C183 VanDerWaalsContact CZ3-CB 3.47Å; C183-T186 PolarHBondContact SG-OG1 3.33Å
184	F	86.4	Confident	86.1	Confident	35 Å²	35	50.1 Å²	50.1	15%	0.154	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-20.6	-178.7	72.8	-88.3	0	0	0	113.3	L163 W175 D177 H182 L266	L163-F184 HydrophobicContact CD1-CZ 4.45Å; L163-F184 HydrophobicContact CD2-CE1 3.9Å; L163-F184 HydrophobicContact CD2-CZ 4.43Å; W175-F184 HydrophobicContact CB-CD1 4.4Å; W175-F184 HydrophobicContact CB-CE1 3.73Å; W175-F184 HydrophobicContact CB-CE2 4.38Å; W175-F184 HydrophobicContact CB-CZ 3.72Å; W175-F184 HydrophobicContact CE3-CZ 4.37Å; W175-F184 HydrophobicContact CG-CZ 4.47Å; W175-F184 PolarHBondContact O-N 3.31Å; W175-F184 VanDerWaalsContact O-N 3.17Å; D177-F184 HydrophobicContact CB-CD1 3.92Å; D177-F184 HydrophobicContact CB-CE1 4.25Å; H182-F184 PolarHBondContact O-N 2.94Å; F184-L266 HydrophobicContact CE2-CB 4.17Å; F184-L266 HydrophobicContact CZ-CD2 4.47Å
185	K	84.1	Confident	86	Confident	32 Å²	32	51.5 Å²	51.5	14%	0.139	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	126.6	179.4	-163.4	176.6	-165.4	100.6	0	111.9	W175 D263 L266	W175-K185 HydrophobicContact CB-CB 4.07Å; W175-K185 HydrophobicContact CG-CB 4.33Å; W175-K185 PolarHBondContact N-O 3.2Å; K185-D263 IonicContact NZ-OD1 3.75Å; K185-D263 PolarHBondContact NZ-OD1 3.47Å; K185-L266 PolarHBondContact NZ-O 3.1Å
186	T	89.5	Confident	85.7	Confident	60 Å²	60	51.5 Å²	51.5	37%	0.368	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	121.9	171.6	-59.7	0	0	0	0	109.3	M172 K174 C183 V188	M172-T186 HydrophobicContact CB-CG2 4.11Å; M172-T186 HydrophobicContact CG-CG2 4.26Å; M172-T186 HydrophobicContact SD-CG2 4.1Å; K174-T186 HydrophobicContact CG-CG2 4.21Å; C183-T186 PolarHBondContact SG-OG1 3.33Å; T186-V188 HydrophobicContact CG2-CG2 4.47Å
187	M	84.9	Confident	85.7	Confident	15 Å²	15	51.5 Å²	51.5	7%	0.074	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	120.9	177.8	-56.5	-159.4	-56.1	0	0	110.9	V173 L206 C268	V173-M187 HydrophobicContact CB-CB 4.27Å; V173-M187 HydrophobicContact CB-CE 3.68Å; V173-M187 HydrophobicContact CG1-CE 3.67Å; V173-M187 HydrophobicContact CG2-CE 4.25Å; V173-M187 PolarHBondContact N-O 3.45Å; V173-M187 PolarHBondContact O-N 3.49Å; M187-L206 HydrophobicContact CE-CD2 3.53Å; M187-C268 HydrophobicContact SD-CB 3.68Å
188	V	82.1	Confident	85.6	Confident	121 Å²	121	50.9 Å²	50.9	73%	0.733	26%	0.259	S	S	*	.			trans	-109.2	82.9	175.8	-173	0	0	0	0	108.4	T186	T186-V188 HydrophobicContact CG2-CG2 4.47Å
189	G	72.5	Confident	85.5	Confident	26 Å²	26	52.1 Å²	52.1	27%	0.268	27%	0.265	S	S	.	.			trans	-120	-13.4	-175.7	0	0	0	0	0	115.1
190	H	82.8	Confident	85.2	Confident	14 Å²	14	47.3 Å²	47.3	7%	0.065	24%	0.24	C	C	.	.			trans	-114.9	139.4	-169.9	-60.9	-86.9	0	0	0	110.4	T192 V194 T208 W218	H190-T192 WeakPolarHBondContact CB-O 3.38Å; H190-V194 HydrophobicContact CB-CG2 3.95Å; H190-V194 VanDerWaalsContact CD2-CG2 3.43Å; H190-V194 WeakPolarHBondContact CD2-CG2 3.36Å; H190-T208 PolarHBondContact CE1-OG1 3.32Å; H190-T208 PolarHBondContact NE2-OG1 3.11Å; H190-W218 AromaticContact NE2-CZ2 3.95Å; H190-W218 AromaticContact NE2-NE1 3.92Å
191	R	84.1	Confident	84.5	Confident	242 Å²	242	45.4 Å²	45.4	91%	0.913	23%	0.23	S	C	*	.	S	Bend	trans	-85.3	-17.4	171.5	-68.2	-175.9	176.5	-178.3	-1.5	112.4
192	T	88.6	Confident	83.7	Confident	45 Å²	45	50.5 Å²	50.5	28%	0.276	25%	0.254	S	S	.	.	S	Bend	trans	-130.5	170.4	-176.5	64.8	0	0	0	0	110.8	T171 H190 S211	T171-T192 WeakPolarHBondContact CB-O 3.25Å; T171-T192 WeakPolarHBondContact CG2-O 3.43Å; H190-T192 WeakPolarHBondContact CB-O 3.38Å; T192-S211 WeakPolarHBondContact CB-OG 3.27Å; T192-S211 WeakPolarHBondContact CG2-OG 3.48Å; T192-S211 PolarHBondContact OG1-OG 2.92Å
193	E	90.2	Very high	83.1	Confident	57 Å²	57	47.1 Å²	47.1	27%	0.266	24%	0.238	S	C	.	.			trans	-57.9	137.1	-174.8	-48.7	177.1	161.2	0	0	111.6	K169 W195 A210 S211	K169-E193 WeakPolarHBondContact CE-OE1 3.3Å; K169-E193 HydrophobicContact CG-CB 4.2Å; K169-E193 VanDerWaalsContact CG-CD 3.49Å; K169-E193 HydrophobicContact CG-CG 3.97Å; K169-E193 IonicContact NZ-OE1 3.65Å; K169-E193 WeakPolarHBondContact O-CB 3.11Å; K169-E193 VanDerWaalsContact O-CG 3.31Å; K169-E193 WeakPolarHBondContact O-CG 3.43Å; E193-W195 WeakPolarHBondContact OE2-CZ2 3.38Å; E193-W195 PolarHBondContact OE2-NE1 3.34Å; E193-A210 CarbonylContact O-C 3.51Å; E193-A210 WeakPolarHBondContact O-CA 3.48Å; E193-A210 WeakPolarHBondContact O-CB 3.42Å; E193-S211 PolarHBondContact O-N 3.1Å; E193-S211 VanDerWaalsContact O-N 3.1Å
194	V	90.8	Very high	82.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	119.5	177	-176.7	0	0	0	0	108.7	T153 G168 V173 H190	T153-V194 WeakPolarHBondContact CB-O 3.29Å; T153-V194 VanDerWaalsContact CG2-O 3.27Å; T153-V194 WeakPolarHBondContact CG2-O 3.47Å; T153-V194 PolarHBondContact OG1-O 3.47Å; G168-V194 PolarHBondContact O-N 3.23Å; V173-V194 HydrophobicContact CG2-CG1 4.26Å; V173-V194 HydrophobicContact CG2-CG2 4.43Å; H190-V194 HydrophobicContact CB-CG2 3.95Å; H190-V194 VanDerWaalsContact CD2-CG2 3.43Å; H190-V194 WeakPolarHBondContact CD2-CG2 3.36Å
195	W	88.8	Confident	82.6	Confident	53 Å²	53	49.8 Å²	49.8	20%	0.201	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-28.2	-174	-76.5	87.9	0	0	0	113.3	T153 K169 E193 G209 R281 V282	T153-W195 HydrophobicContact CG2-CD2 4.4Å; T153-W195 HydrophobicContact CG2-CE3 4.11Å; T153-W195 HydrophobicContact CG2-CZ3 4.44Å; K169-W195 HydrophobicContact CD-CH2 4.45Å; K169-W195 HydrophobicContact CD-CZ2 4.29Å; E193-W195 WeakPolarHBondContact OE2-CZ2 3.38Å; E193-W195 PolarHBondContact OE2-NE1 3.34Å; W195-G209 PolarHBondContact N-O 3.41Å; W195-R281 HydrophobicContact CG-CG 4.22Å; W195-V282 WeakPolarHBondContact CB-O 3.36Å
196	G	84.9	Confident	82.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145.9	179.7	0	0	0	0	0	112	T208 G209	G196-T208 WeakPolarHBondContact O-CA 3.47Å; G196-G209 PolarHBondContact N-O 3.44Å; G196-G209 VanDerWaalsContact N-O 3.12Å; G196-G209 PolarHBondContact O-N 2.96Å
197	L	89.3	Confident	82.7	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	125.7	-175.8	-174.6	77.3	0	0	0	108.6	Q154 L156 V165 V173 L206 T208	Q154-L197 HydrophobicContact CB-CB 4.08Å; Q154-L197 HydrophobicContact CG-CB 4.19Å; Q154-L197 PolarHBondContact NE2-O 3.22Å; Q154-L197 PolarHBondContact OE1-O 2.97Å; L156-L197 HydrophobicContact CD1-CB 4.47Å; L156-L197 HydrophobicContact CD1-CD2 4.05Å; L156-L197 HydrophobicContact CD1-CG 4.03Å; L156-L197 WeakPolarHBondContact CD1-O 3.49Å; L156-L197 HydrophobicContact CG-CD2 4.38Å; V165-L197 HydrophobicContact CB-CD2 4.21Å; V165-L197 HydrophobicContact CG1-CD1 4.48Å; V165-L197 HydrophobicContact CG1-CD2 3.82Å; V173-L197 HydrophobicContact CG1-CD1 3.93Å; V173-L197 HydrophobicContact CG2-CD1 4.26Å; L197-L206 HydrophobicContact CD1-CD1 3.61Å; L197-L206 HydrophobicContact CD1-CD2 3.87Å; L197-L206 HydrophobicContact CD1-CG 3.94Å; L197-L206 HydrophobicContact CG-CD1 3.94Å; L197-T208 HydrophobicContact CD1-CG2 3.73Å
198	V	85.9	Confident	82.9	Confident	11 Å²	11	44.7 Å²	44.7	7%	0.067	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	138.6	175.3	-168.6	0	0	0	0	112.9	V200 I207 L285 V287	V198-V200 HydrophobicContact CG1-CG2 4.42Å; V198-I207 PolarHBondContact N-O 3.41Å; V198-I207 PolarHBondContact O-N 3.48Å; V198-L285 VanDerWaalsContact CG2-C 3.49Å; V198-L285 HydrophobicContact CG2-CB 3.45Å; V198-L285 VanDerWaalsContact CG2-CB 3.45Å; V198-L285 WeakPolarHBondContact CG2-O 3.3Å; V198-V287 HydrophobicContact CB-CG2 4.14Å; V198-V287 HydrophobicContact CG1-CB 3.51Å; V198-V287 HydrophobicContact CG1-CG2 3.2Å
199	L	85.4	Confident	83.2	Confident	27 Å²	27	39 Å²	39	14%	0.141	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	135	171.7	-68.8	164.7	0	0	0	110.9	L156 L158 R205 L206 I220	L156-L199 HydrophobicContact CB-CD1 4.37Å; L156-L199 HydrophobicContact CD1-CD1 4.44Å; L156-L199 HydrophobicContact CD1-CG 4.26Å; L158-L199 HydrophobicContact CD2-CD1 3.65Å; L158-L199 HydrophobicContact CD2-CD2 4.25Å; L158-L199 HydrophobicContact CG-CD1 4.02Å; L199-R205 WeakPolarHBondContact CA-O 3.39Å; L199-L206 HydrophobicContact CD2-CB 4.23Å; L199-L206 HydrophobicContact CD2-CD1 3.55Å; L199-L206 HydrophobicContact CG-CD1 3.94Å; L199-I220 HydrophobicContact CD2-CD1 3.68Å
200	V	79.1	Confident	83.9	Confident	4 Å²	4	37.7 Å²	37.7	2%	0.024	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	156.9	-173.8	173.2	0	0	0	0	110.3	V198 E203 R205 I207 V287 I308	V198-V200 HydrophobicContact CG1-CG2 4.42Å; V200-E203 PolarHBondContact O-N 3.24Å; V200-R205 PolarHBondContact N-O 3.46Å; V200-R205 PolarHBondContact O-N 2.85Å; V200-R205 VanDerWaalsContact O-N 3.15Å; V200-I207 HydrophobicContact CB-CD1 4.38Å; V200-I207 HydrophobicContact CG2-CD1 3.86Å; V200-I207 HydrophobicContact CG2-CG1 4.36Å; V200-V287 HydrophobicContact CG2-CG2 3.74Å; V200-I308 HydrophobicContact CB-CD1 4.46Å; V200-I308 HydrophobicContact CG1-CB 4.42Å; V200-I308 HydrophobicContact CG1-CD1 3.37Å; V200-I308 HydrophobicContact CG1-CG1 3.73Å; V200-I308 HydrophobicContact CG1-CG2 4.17Å; V200-I308 HydrophobicContact CG2-CD1 4.15Å
201	S	68.8	Low	84	Confident	39 Å²	39	39 Å²	39	27%	0.273	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	52.9	175.5	-62.3	0	0	0	0	113.2	E203 K204	S201-E203 VanDerWaalsContact C-N 3.28Å; S201-E203 PolarHBondContact O-N 3.1Å; S201-K204 PolarHBondContact O-N 3.47Å
202	E	68.8	Low	84	Confident	161 Å²	161	29.3 Å²	29.3	75%	0.752	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	45.8	-179.8	-58	171	166.6	0	0	111.2	K204	E202-K204 PolarHBondContact O-N 3.2Å; E202-K204 VanDerWaalsContact O-N 3.1Å
203	E	72.4	Confident	83.8	Confident	16 Å²	16	28.6 Å²	28.6	8%	0.075	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	7.5	173.4	-52.4	180	173.2	0	0	115.5	L158 R159 V200 S201 R205 I220	L158-E203 HydrophobicContact CD2-CB 3.85Å; L158-E203 HydrophobicContact CD2-CG 3.97Å; L158-E203 WeakPolarHBondContact CD2-OE2 3.3Å; R159-E203 WeakPolarHBondContact CA-OE1 3.32Å; R159-E203 WeakPolarHBondContact CB-OE1 2.99Å; R159-E203 WeakPolarHBondContact CG-OE1 3.29Å; R159-E203 VanDerWaalsContact N-CD 3.31Å; R159-E203 PolarHBondContact N-OE1 3.03Å; R159-E203 PolarHBondContact N-OE2 2.98Å; V200-E203 PolarHBondContact O-N 3.24Å; S201-E203 VanDerWaalsContact C-N 3.28Å; S201-E203 PolarHBondContact O-N 3.1Å; E203-R205 VanDerWaalsContact C-N 3.29Å; E203-I220 WeakPolarHBondContact O-CD1 3.46Å
204	K	76.8	Confident	83.5	Confident	85 Å²	85	28.5 Å²	28.5	37%	0.37	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-16.4	174.4	-58.5	-163.2	179.7	-130	0	113	S201 E202 I220 E225	S201-K204 PolarHBondContact O-N 3.47Å; E202-K204 PolarHBondContact O-N 3.2Å; E202-K204 VanDerWaalsContact O-N 3.1Å; K204-I220 PolarHBondContact O-N 2.9Å; K204-E225 IonicContact NZ-OE1 3.75Å; K204-E225 IonicContact NZ-OE2 2.8Å
205	R	84.6	Confident	83.3	Confident	37 Å²	37	28.5 Å²	28.5	14%	0.14	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	139.8	178.8	-71	-169.3	174.2	165.4	12.1	113.4	L199 V200 E203 V217 W218 D219 E352	L199-R205 WeakPolarHBondContact CA-O 3.39Å; V200-R205 PolarHBondContact N-O 3.46Å; V200-R205 PolarHBondContact O-N 2.85Å; V200-R205 VanDerWaalsContact O-N 3.15Å; E203-R205 VanDerWaalsContact C-N 3.29Å; R205-V217 HydrophobicContact CB-CG1 4.48Å; R205-V217 HydrophobicContact CG-CG1 4.5Å; R205-W218 CarbonylContact C-O 3.59Å; R205-W218 VanDerWaalsContact CA-O 3.26Å; R205-W218 WeakPolarHBondContact CA-O 3.41Å; R205-D219 WeakPolarHBondContact CD-OD1 3.4Å; R205-D219 WeakPolarHBondContact CG-OD1 3.37Å; R205-D219 IonicContact CZ-OD1 3.93Å; R205-D219 IonicContact NE-OD1 3.36Å; R205-D219 PolarHBondContact NE-OD1 3.38Å; R205-D219 IonicContact NH2-OD1 2.67Å; R205-E352 IonicContact CZ-OE1 2.78Å; R205-E352 IonicContact CZ-OE2 3.8Å; R205-E352 IonicContact NH1-OE1 3.4Å; R205-E352 PolarHBondContact NH1-OE1 3.33Å; R205-E352 VanDerWaalsContact NH1-OE1 3.1Å; R205-E352 IonicContact NH1-OE2 2.7Å; R205-E352 PolarHBondContact NH1-OE2 3.42Å; R205-E352 IonicContact NH2-OE1 3.73Å; R205-E352 IonicContact NH2-OE2 3.86Å; R205-E352 PolarHBondContact NH2-OE2 3.37Å
206	L	87.4	Confident	83.3	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128.1	172.2	-177.2	74.8	0	0	0	109.7	V173 W175 M187 L197 L199 T208 W218 I220	V173-L206 HydrophobicContact CG1-CD2 4.33Å; W175-L206 HydrophobicContact CZ2-CD2 4.18Å; M187-L206 HydrophobicContact CE-CD2 3.53Å; L197-L206 HydrophobicContact CD1-CD1 3.61Å; L197-L206 HydrophobicContact CD1-CD2 3.87Å; L197-L206 HydrophobicContact CD1-CG 3.94Å; L197-L206 HydrophobicContact CG-CD1 3.94Å; L199-L206 HydrophobicContact CD2-CB 4.23Å; L199-L206 HydrophobicContact CD2-CD1 3.55Å; L199-L206 HydrophobicContact CG-CD1 3.94Å; L206-T208 HydrophobicContact CD2-CG2 4.21Å; L206-T208 HydrophobicContact CG-CG2 4.29Å; L206-W218 HydrophobicContact CB-CB 4.22Å; L206-W218 PolarHBondContact N-O 3.14Å; L206-W218 PolarHBondContact O-N 3.37Å; L206-I220 HydrophobicContact CB-CD1 3.87Å; L206-I220 HydrophobicContact CB-CG1 4.39Å
207	I	88.9	Confident	83.5	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.2	175	-55.4	-179.1	0	0	0	108.1	V198 V200 L215 R216 V217 L294 I353	V198-I207 PolarHBondContact N-O 3.41Å; V198-I207 PolarHBondContact O-N 3.48Å; V200-I207 HydrophobicContact CB-CD1 4.38Å; V200-I207 HydrophobicContact CG2-CD1 3.86Å; V200-I207 HydrophobicContact CG2-CG1 4.36Å; I207-L215 HydrophobicContact CG2-CB 4.32Å; I207-R216 WeakPolarHBondContact CA-O 3.5Å; I207-V217 HydrophobicContact CG1-CG1 4.39Å; I207-V217 HydrophobicContact CG1-CG2 4.23Å; I207-L294 HydrophobicContact CD1-CD2 3.58Å; I207-L294 HydrophobicContact CG2-CD2 4.39Å; I207-I353 HydrophobicContact CD1-CD1 4.07Å
208	T	89.1	Confident	83.4	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.4	-177.9	49.4	0	0	0	0	109.1	V173 H190 G196 L197 L206 R216 W218	V173-T208 HydrophobicContact CG2-CG2 4.11Å; H190-T208 PolarHBondContact CE1-OG1 3.32Å; H190-T208 PolarHBondContact NE2-OG1 3.11Å; G196-T208 WeakPolarHBondContact O-CA 3.47Å; L197-T208 HydrophobicContact CD1-CG2 3.73Å; L206-T208 HydrophobicContact CD2-CG2 4.21Å; L206-T208 HydrophobicContact CG-CG2 4.29Å; T208-R216 PolarHBondContact N-O 3.2Å; T208-R216 PolarHBondContact O-N 2.8Å; T208-R216 WeakPolarHBondContact OG1-CB 3.28Å; T208-R216 PolarHBondContact OG1-O 3.23Å; T208-W218 PolarHBondContact OG1-NE1 3.34Å
209	G	88.4	Confident	83.4	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	119.5	174.6	0	0	0	0	0	109.7	W195 G196	W195-G209 PolarHBondContact N-O 3.41Å; G196-G209 PolarHBondContact N-O 3.44Å; G196-G209 VanDerWaalsContact N-O 3.12Å; G196-G209 PolarHBondContact O-N 2.96Å
210	A	87.3	Confident	83.3	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-172.8	175.2	0	0	0	0	0	111	E193 D212 V282	E193-A210 CarbonylContact O-C 3.51Å; E193-A210 WeakPolarHBondContact O-CA 3.48Å; E193-A210 WeakPolarHBondContact O-CB 3.42Å; A210-D212 WeakPolarHBondContact CB-OD1 3.49Å; A210-D212 PolarHBondContact O-N 3.05Å; A210-V282 WeakPolarHBondContact O-CB 3.44Å; A210-V282 WeakPolarHBondContact O-CG2 3.19Å; A210-V282 PolarHBondContact O-N 3.28Å
211	S	85.2	Confident	83.3	Confident	40 Å²	40	31.1 Å²	31.1	28%	0.28	16%	0.163	S	C	.	.	S	Bend	trans	-70.2	-10.7	175.2	79	0	0	0	0	113.8	T192 E193 R281	T192-S211 WeakPolarHBondContact CB-OG 3.27Å; T192-S211 WeakPolarHBondContact CG2-OG 3.48Å; T192-S211 PolarHBondContact OG1-OG 2.92Å; E193-S211 PolarHBondContact O-N 3.1Å; E193-S211 VanDerWaalsContact O-N 3.1Å; S211-R281 WeakPolarHBondContact O-CA 3.48Å
212	D	83.7	Confident	83.4	Confident	39 Å²	39	30.3 Å²	30.3	21%	0.209	16%	0.155	C	C	.	.	S	Bend	trans	-84.5	171.9	175.3	59.8	7.2	0	0	0	111.9	A210 E214 R216	A210-D212 WeakPolarHBondContact CB-OD1 3.49Å; A210-D212 PolarHBondContact O-N 3.05Å; D212-E214 PolarHBondContact O-N 3.15Å; D212-E214 PolarHBondContact OD1-N 3.27Å; D212-R216 VanDerWaalsContact CG-NH1 3.33Å; D212-R216 IonicContact OD1-NH1 3.09Å; D212-R216 PolarHBondContact OD1-NH1 3.45Å; D212-R216 VanDerWaalsContact OD1-NH1 3.11Å; D212-R216 IonicContact OD2-CZ 3.87Å; D212-R216 IonicContact OD2-NH1 3.99Å; D212-R216 PolarHBondContact OD2-NH1 3.4Å; D212-R216 IonicContact OD2-NH2 3.05Å; D212-R216 PolarHBondContact OD2-NH2 3.25Å
213	S	83.1	Confident	83.1	Confident	30 Å²	30	26 Å²	26	21%	0.21	14%	0.136	C	C	.	.	S	Bend	trans	-75.4	2.7	176	57.8	0	0	0	0	113.3	M275 R276	S213-M275 WeakPolarHBondContact OG-CE 3.45Å; S213-R276 WeakPolarHBondContact O-CB 3.49Å; S213-R276 WeakPolarHBondContact O-CG 3.38Å; S213-R276 PolarHBondContact O-N 3.03Å
214	E	84.9	Confident	82.2	Confident	56 Å²	56	32.7 Å²	32.7	26%	0.262	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	117.8	-175	-73.6	-177.9	-174.6	0	0	111.5	D212 R216 M275	D212-E214 PolarHBondContact O-N 3.15Å; D212-E214 PolarHBondContact OD1-N 3.27Å; E214-R216 IonicContact OE2-CZ 2.81Å; E214-R216 IonicContact OE2-NE 2.7Å; E214-R216 IonicContact OE2-NH2 3.43Å; E214-R216 PolarHBondContact OE2-NH2 2.97Å; E214-M275 HydrophobicContact CG-CE 4.46Å; E214-M275 HydrophobicContact CG-SD 3.51Å; E214-M275 VanDerWaalsContact CG-SD 3.51Å
215	L	86.9	Confident	80.7	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	117.3	162.8	-62.1	177.7	0	0	0	108.6	I207 S273 I274 R276 V282 L285 F306	I207-L215 HydrophobicContact CG2-CB 4.32Å; L215-S273 CarbonylContact O-C 3.58Å; L215-S273 VanDerWaalsContact O-CA 3.31Å; L215-S273 WeakPolarHBondContact O-CA 3.47Å; L215-I274 HydrophobicContact CB-CB 4.28Å; L215-I274 PolarHBondContact N-O 2.87Å; L215-I274 PolarHBondContact O-N 3.13Å; L215-R276 HydrophobicContact CD1-CG 4.05Å; L215-R276 HydrophobicContact CG-CG 3.87Å; L215-V282 HydrophobicContact CD2-CG2 3.97Å; L215-L285 HydrophobicContact CD2-CD1 4.1Å; L215-L285 HydrophobicContact CD2-CD2 4.08Å; L215-F306 HydrophobicContact CD1-CE2 3.9Å; L215-F306 HydrophobicContact CD1-CZ 4.04Å
216	R	88.4	Confident	79	Confident	19 Å²	19	36.1 Å²	36.1	7%	0.072	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.5	178.8	-68.1	175.6	-176.4	72.9	5	109.8	I207 T208 D212 E214 W218	I207-R216 WeakPolarHBondContact CA-O 3.5Å; T208-R216 PolarHBondContact N-O 3.2Å; T208-R216 PolarHBondContact O-N 2.8Å; T208-R216 WeakPolarHBondContact OG1-CB 3.28Å; T208-R216 PolarHBondContact OG1-O 3.23Å; D212-R216 VanDerWaalsContact CG-NH1 3.33Å; D212-R216 IonicContact OD1-NH1 3.09Å; D212-R216 PolarHBondContact OD1-NH1 3.45Å; D212-R216 VanDerWaalsContact OD1-NH1 3.11Å; D212-R216 IonicContact OD2-CZ 3.87Å; D212-R216 IonicContact OD2-NH1 3.99Å; D212-R216 PolarHBondContact OD2-NH1 3.4Å; D212-R216 IonicContact OD2-NH2 3.05Å; D212-R216 PolarHBondContact OD2-NH2 3.25Å; E214-R216 IonicContact OE2-CZ 2.81Å; E214-R216 IonicContact OE2-NE 2.7Å; E214-R216 IonicContact OE2-NH2 3.43Å; E214-R216 PolarHBondContact OE2-NH2 2.97Å; R216-W218 HydrophobicContact CB-CZ2 4.32Å
217	V	88.8	Confident	76.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	129.4	178.7	-173.5	0	0	0	0	108.2	R205 I207 A271 G272 I274 L349 I353	R205-V217 HydrophobicContact CB-CG1 4.48Å; R205-V217 HydrophobicContact CG-CG1 4.5Å; I207-V217 HydrophobicContact CG1-CG1 4.39Å; I207-V217 HydrophobicContact CG1-CG2 4.23Å; V217-A271 HydrophobicContact CB-CB 4.42Å; V217-A271 HydrophobicContact CG1-CB 4.25Å; V217-A271 WeakPolarHBondContact O-CB 3.36Å; V217-A271 PolarHBondContact O-N 3.39Å; V217-G272 PolarHBondContact N-O 2.99Å; V217-G272 PolarHBondContact O-N 2.97Å; V217-I274 HydrophobicContact CG2-CD1 3.88Å; V217-I274 HydrophobicContact CG2-CG1 4.32Å; V217-L349 HydrophobicContact CB-CD1 4.24Å; V217-L349 HydrophobicContact CG1-CD2 4.46Å; V217-L349 HydrophobicContact CG2-CD1 4.49Å; V217-I353 HydrophobicContact CG2-CD1 4.25Å
218	W	88	Confident	74.3	Confident	19 Å²	19	51.7 Å²	51.7	7%	0.072	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130	-179.7	-52.6	90.8	0	0	0	108.6	H190 R205 L206 T208 R216 R269 K270	H190-W218 AromaticContact NE2-CZ2 3.95Å; H190-W218 AromaticContact NE2-NE1 3.92Å; R205-W218 CarbonylContact C-O 3.59Å; R205-W218 VanDerWaalsContact CA-O 3.26Å; R205-W218 WeakPolarHBondContact CA-O 3.41Å; L206-W218 HydrophobicContact CB-CB 4.22Å; L206-W218 PolarHBondContact N-O 3.14Å; L206-W218 PolarHBondContact O-N 3.37Å; T208-W218 PolarHBondContact OG1-NE1 3.34Å; R216-W218 HydrophobicContact CB-CZ2 4.32Å; W218-R269 CarbonylContact C-O 3.52Å; W218-R269 WeakPolarHBondContact CA-O 3.39Å; W218-K270 HydrophobicContact CE3-CB 3.74Å; W218-K270 HydrophobicContact CE3-CG 4.17Å; W218-K270 HydrophobicContact CH2-CB 4.12Å; W218-K270 HydrophobicContact CH2-CD 4.15Å; W218-K270 HydrophobicContact CH2-CG 4.11Å; W218-K270 HydrophobicContact CZ3-CB 3.48Å; W218-K270 VanDerWaalsContact CZ3-CB 3.48Å; W218-K270 HydrophobicContact CZ3-CD 4.36Å; W218-K270 HydrophobicContact CZ3-CG 3.93Å
219	D	85.4	Confident	72	Confident	58 Å²	58	58.7 Å²	58.7	31%	0.31	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	132.5	171.5	-72.6	-30.4	0	0	0	108.9	R205 C268 R269 A271	R205-D219 WeakPolarHBondContact CD-OD1 3.4Å; R205-D219 WeakPolarHBondContact CG-OD1 3.37Å; R205-D219 IonicContact CZ-OD1 3.93Å; R205-D219 IonicContact NE-OD1 3.36Å; R205-D219 PolarHBondContact NE-OD1 3.38Å; R205-D219 IonicContact NH2-OD1 2.67Å; D219-C268 VanDerWaalsContact O-CA 3.32Å; D219-C268 WeakPolarHBondContact O-CA 3.39Å; D219-R269 PolarHBondContact N-O 3.34Å; D219-R269 PolarHBondContact O-N 3.28Å; D219-A271 HydrophobicContact CB-CB 4.44Å; D219-A271 VanDerWaalsContact OD2-CB 3.28Å; D219-A271 WeakPolarHBondContact OD2-CB 3.39Å
220	I	84.2	Confident	69.6	Low	11 Å²	11	66.7 Å²	66.7	6%	0.056	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117.9	178.8	-59.3	165.2	0	0	0	107.1	W175 L199 E203 K204 L206 Y222 L266	W175-I220 HydrophobicContact CH2-CD1 3.72Å; W175-I220 HydrophobicContact CH2-CG1 4.09Å; W175-I220 HydrophobicContact CH2-CG2 4.29Å; W175-I220 HydrophobicContact CZ2-CD1 4.25Å; W175-I220 HydrophobicContact CZ2-CG1 4.39Å; L199-I220 HydrophobicContact CD2-CD1 3.68Å; E203-I220 WeakPolarHBondContact O-CD1 3.46Å; K204-I220 PolarHBondContact O-N 2.9Å; L206-I220 HydrophobicContact CB-CD1 3.87Å; L206-I220 HydrophobicContact CB-CG1 4.39Å; I220-Y222 HydrophobicContact CG2-CE1 4.48Å; I220-Y222 HydrophobicContact CG2-CE2 4.05Å; I220-L266 HydrophobicContact CG2-CD1 3.28Å; I220-L266 HydrophobicContact CG2-CD2 4.32Å; I220-L266 HydrophobicContact CG2-CG 4.18Å
221	A	77.5	Confident	66.9	Low	42 Å²	42	75.6 Å²	75.6	35%	0.347	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124	174.1	0	0	0	0	0	110.3	S267	A221-S267 PolarHBondContact N-O 3.44Å; A221-S267 PolarHBondContact O-N 3.21Å; A221-S267 PolarHBondContact O-OG 3.16Å
222	Y	72.5	Confident	64.6	Low	23 Å²	23	79 Å²	79	9%	0.09	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	123	174.6	-61.1	-77.7	0	0	0	108.7	K161 I220 Q224 E225 L266	K161-Y222 HydrophobicContact CD-CD1 4.07Å; K161-Y222 HydrophobicContact CD-CE1 3.75Å; I220-Y222 HydrophobicContact CG2-CE1 4.48Å; I220-Y222 HydrophobicContact CG2-CE2 4.05Å; Y222-Q224 PolarHBondContact O-N 2.83Å; Y222-Q224 VanDerWaalsContact O-N 3.09Å; Y222-E225 PolarHBondContact O-N 3.05Å; Y222-L266 HydrophobicContact CD1-CD1 3.33Å; Y222-L266 HydrophobicContact CE1-CD1 3.28Å; Y222-L266 HydrophobicContact CG-CD1 4.01Å
223	L	62.2	Low	61.8	Low	69 Å²	69	84.6 Å²	84.6	36%	0.361	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-65	-15.4	-174.3	-89.3	123.2	0	0	0	114.4	E225 I226 D263	L223-E225 PolarHBondContact O-N 3.34Å; L223-I226 HydrophobicContact CD2-CD1 3.98Å; L223-I226 HydrophobicContact CG-CD1 4.03Å; L223-I226 PolarHBondContact O-N 3.01Å; L223-I226 VanDerWaalsContact O-N 3.14Å; L223-D263 WeakPolarHBondContact CD1-O 3.25Å
224	Q	53.6	Low	59.6	Low	157 Å²	157	89 Å²	89	73%	0.734	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-66.3	-18.2	175.8	-135.4	166.8	5.7	0	0	113.5	Y222	Y222-Q224 PolarHBondContact O-N 2.83Å; Y222-Q224 VanDerWaalsContact O-N 3.09Å
225	E	44.9	Very low	56.9	Low	112 Å²	112	96.5 Å²	96.5	52%	0.523	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-86.8	-9.3	174.5	-69.6	-173.4	155.7	0	0	113.4	K204 Y222 L223	K204-E225 IonicContact NZ-OE1 3.75Å; K204-E225 IonicContact NZ-OE2 2.8Å; Y222-E225 PolarHBondContact O-N 3.05Å; L223-E225 PolarHBondContact O-N 3.34Å
226	I	49.5	Very low	54	Low	83 Å²	83	105.8 Å²	105.8	43%	0.426	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-28.3	-174.6	-60.1	178.3	0	0	0	111.7	L223 D228	L223-I226 HydrophobicContact CD2-CD1 3.98Å; L223-I226 HydrophobicContact CG-CD1 4.03Å; L223-I226 PolarHBondContact O-N 3.01Å; L223-I226 VanDerWaalsContact O-N 3.14Å; I226-D228 VanDerWaalsContact C-N 3.26Å; I226-D228 PolarHBondContact O-N 2.83Å
227	E	39.7	Very low	51.1	Low	180 Å²	180	112.7 Å²	112.7	84%	0.841	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-19	178.1	-74	-175.1	157.9	0	0	113.6
228	D	36.8	Very low	48.1	Very low	147 Å²	147	122.6 Å²	122.6	79%	0.786	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-4.1	-177.7	-76.6	-21.5	0	0	0	114.4	I226	I226-D228 VanDerWaalsContact C-N 3.26Å; I226-D228 PolarHBondContact O-N 2.83Å
229	L	42.1	Very low	45	Very low	147 Å²	147	125 Å²	125	77%	0.77	64%	0.643	S	S	*	*	S	Bend	trans	-121.1	-1	-171.1	-76	169.4	0	0	0	116.4
230	E	37.8	Very low	42.1	Very low	169 Å²	169	128.1 Å²	128.1	79%	0.79	67%	0.669	S	S	*	*			trans	-120.5	80.1	177.4	-75.4	-171	166.4	0	0	114.1
231	E	29.4	Very low	39.2	Very low	187 Å²	187	132.8 Å²	132.8	87%	0.874	70%	0.703	S	S	*	*			trans	-138.2	137.7	138.4	-75.2	-164.6	162.5	0	0	106.8
232	P	36.6	Very low	37.4	Very low	111 Å²	111	136.7 Å²	136.7	72%	0.721	73%	0.725	S	S	*	*			cis	-146.8	165.9	45.6	37.7	-15.8	0	0	0	118.9
233	D	26.2	Very low	35.1	Very low	156 Å²	156	138.7 Å²	138.7	83%	0.834	75%	0.752	S	S	*	*			trans	75.3	123.5	144.8	-69.9	-14.6	0	0	0	124.4
234	P	35.4	Very low	33.4	Very low	124 Å²	124	142.9 Å²	142.9	81%	0.805	77%	0.773	S	S	*	*			trans	-93.3	133.6	177.3	36.3	-30.5	0	0	0	112.4
235	K	29.6	Very low	32.1	Very low	213 Å²	213	143.1 Å²	143.1	93%	0.926	78%	0.775	S	S	*	*			trans	-124.5	120.1	160.4	-81.3	-176.7	179.8	172.3	0	111.7
236	K	26.4	Very low	31.1	Very low	195 Å²	195	144 Å²	144	85%	0.848	78%	0.782	S	S	*	*			trans	-55.6	151.8	174	-68.3	168.9	173.1	170	0	113.4
237	I	27.3	Very low	29.9	Very low	163 Å²	163	146 Å²	146	84%	0.836	80%	0.799	S	S	*	*				178.3	104.1	122.3	-81.4	146	0	0	0	106.1
238	K	24.4	Very low	29.2	Very low	209 Å²	209	145.1 Å²	145.1	91%	0.909	80%	0.799	S	S	*	*				61	120.6	85.8	-89.8	-166.5	177.2	-174.3	0	117.2
239	G	24.2	Very low	28.8	Very low	69 Å²	69	147.6 Å²	147.6	71%	0.711	81%	0.806	S	S	*	*			trans	139.2	85.3	153.1	0	0	0	0	0	113.7
240	S	24.8	Very low	27.9	Very low	123 Å²	123	144.9 Å²	144.9	86%	0.86	81%	0.805	S	S	*	*				86.9	107.8	94.1	65.2	0	0	0	0	115.2
241	S	23.2	Very low	27.4	Very low	110 Å²	110	145.3 Å²	145.3	77%	0.769	81%	0.807	S	S	*	*			trans	-72.2	-170.5	163	56.3	0	0	0	0	112.3
242	P	39.3	Very low	27.1	Very low	124 Å²	124	143.7 Å²	143.7	81%	0.805	80%	0.804	S	S	*	*			cis	-133.5	169.1	-39.5	24.5	-3.1	0	0	0	113.3
243	G	23.4	Very low	26.5	Very low	65 Å²	65	142 Å²	142	67%	0.67	81%	0.807	S	S	*	*			trans	162.3	102	157.5	0	0	0	0	0	118.7
244	I	27.6	Very low	26.5	Very low	156 Å²	156	141.1 Å²	141.1	80%	0.8	81%	0.808	S	S	*	*			trans	57.4	121.7	130.5	-53.3	159.7	0	0	0	117.1
245	Q	25.6	Very low	26.2	Very low	163 Å²	163	144.1 Å²	144.1	76%	0.762	81%	0.808	S	S	*	*				-173.4	136	62.3	-145.6	152.2	14.2	0	0	113.1
246	D	22.8	Very low	26.3	Very low	129 Å²	129	143.4 Å²	143.4	69%	0.69	81%	0.808	S	S	*	*			trans	34.8	126.6	142.6	-49	-27.9	0	0	0	120.8
247	T	25.6	Very low	26.4	Very low	127 Å²	127	141.3 Å²	141.3	78%	0.779	80%	0.803	S	S	*	*				-172.8	124.3	72.7	20.7	0	0	0	0	112.8
248	L	25.2	Very low	26.4	Very low	161 Å²	161	140.4 Å²	140.4	84%	0.843	80%	0.8	S	S	*	*			trans	37.9	115	137.7	-59.6	165.7	0	0	0	121.4
249	E	27.2	Very low	26.9	Very low	199 Å²	199	140 Å²	140	93%	0.93	80%	0.801	S	S	*	*				-161.1	129	114.9	-102.1	171.3	-160.8	0	0	109.8
250	A	24.4	Very low	27.5	Very low	90 Å²	90	139 Å²	139	74%	0.744	79%	0.787	S	S	*	*			trans	-76.4	156.8	176.6	0	0	0	0	0	109.8
251	E	25.7	Very low	28.4	Very low	177 Å²	177	137.5 Å²	137.5	83%	0.827	77%	0.774	S	S	*	*				-166	167.6	55.7	-77	178.9	150.1	0	0	111.1
252	D	25	Very low	29.5	Very low	153 Å²	153	138.7 Å²	138.7	82%	0.818	77%	0.767	S	S	*	*			trans	83.5	87	163.8	-67.6	-7.6	0	0	0	119.8
253	G	23.4	Very low	29.8	Very low	75 Å²	75	137.3 Å²	137.3	77%	0.773	75%	0.753	S	S	*	*			trans	-65.5	131.8	168.9	0	0	0	0	0	113.4
254	T	25.9	Very low	31.2	Very low	139 Å²	139	143.8 Å²	143.8	85%	0.853	76%	0.757	S	S	*	*			trans	-89.1	114.9	156.7	36.3	0	0	0	0	107.3	E256	T254-E256 PolarHBondContact O-N 3.35Å
255	F	28.1	Very low	32.7	Very low	187 Å²	187	140.3 Å²	140.3	82%	0.82	74%	0.74	S	S	*	*			trans	-58.6	118.1	165.3	-80.1	-96.8	0	0	0	108.5	M257	F255-M257 VanDerWaalsContact C-N 3.32Å; F255-M257 HydrophobicContact CB-CG 4.31Å; F255-M257 PolarHBondContact O-N 3.16Å
256	E	33.8	Very low	34.8	Very low	198 Å²	198	132.6 Å²	132.6	93%	0.925	70%	0.704	S	S	*	*			trans	-61.4	99.6	153.1	-72.4	178.8	158.9	0	0	106.8	T254	T254-E256 PolarHBondContact O-N 3.35Å
257	M	26.7	Very low	37.1	Very low	150 Å²	150	127.6 Å²	127.6	74%	0.739	68%	0.679	S	S	*	*			trans	-106.8	111.2	166.6	-85.5	-170.9	65.2	0	0	108.3	F255	F255-M257 VanDerWaalsContact C-N 3.32Å; F255-M257 HydrophobicContact CB-CG 4.31Å; F255-M257 PolarHBondContact O-N 3.16Å
258	D	27.2	Very low	39.5	Very low	145 Å²	145	122.6 Å²	122.6	78%	0.775	65%	0.649	S	S	*	*			trans	38.3	104.5	143.4	-62	-28	0	0	0	117.1	A260	D258-A260 PolarHBondContact O-N 3.37Å
259	E	35.9	Very low	42.1	Very low	199 Å²	199	124.1 Å²	124.1	93%	0.93	64%	0.644	S	S	*	*			trans	-54.3	103.9	159.4	-73.1	-178.1	159.8	0	0	109.4
260	A	36.2	Very low	44.6	Very low	50 Å²	50	119.8 Å²	119.8	41%	0.413	62%	0.622	S	S	.	*			trans	-64.4	149	177.3	0	0	0	0	0	110.7	D258 E262	D258-A260 PolarHBondContact O-N 3.37Å; A260-E262 HydrophobicContact CB-CB 4.48Å; A260-E262 HydrophobicContact CB-CG 4.25Å; A260-E262 PolarHBondContact O-N 2.79Å
261	P	44.5	Very low	47.2	Very low	91 Å²	91	117.2 Å²	117.2	59%	0.591	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-63.4	3.8	177.9	26	-34.4	0	0	0	115	R264	P261-R264 WeakPolarHBondContact O-CB 3.41Å; P261-R264 WeakPolarHBondContact O-CD 3.4Å; P261-R264 WeakPolarHBondContact O-CG 3.35Å
262	E	46.3	Very low	49.9	Very low	134 Å²	134	109.7 Å²	109.7	63%	0.626	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-75.9	-18.3	-177.5	-61.8	-176.1	171.3	0	0	113.8	A260 R264	A260-E262 HydrophobicContact CB-CB 4.48Å; A260-E262 HydrophobicContact CB-CG 4.25Å; A260-E262 PolarHBondContact O-N 2.79Å; E262-R264 VanDerWaalsContact C-N 3.27Å; E262-R264 PolarHBondContact O-N 2.86Å
263	D	45.6	Very low	52.7	Low	96 Å²	96	104.7 Å²	104.7	51%	0.513	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-83.6	6.4	175.8	-87.2	-26.6	0	0	0	114	K185 L223 I265	K185-D263 IonicContact NZ-OD1 3.75Å; K185-D263 PolarHBondContact NZ-OD1 3.47Å; L223-D263 WeakPolarHBondContact CD1-O 3.25Å; D263-I265 PolarHBondContact O-N 2.79Å
264	R	53.3	Low	55.6	Low	200 Å²	200	101.6 Å²	101.6	76%	0.755	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-72.9	-15.7	-172.1	-77.2	179.4	172.7	171.9	-0.9	116.7	P261 E262	P261-R264 WeakPolarHBondContact O-CB 3.41Å; P261-R264 WeakPolarHBondContact O-CD 3.4Å; P261-R264 WeakPolarHBondContact O-CG 3.35Å; E262-R264 VanDerWaalsContact C-N 3.27Å; E262-R264 PolarHBondContact O-N 2.86Å
265	I	58.1	Low	58.4	Low	84 Å²	84	99.2 Å²	99.2	43%	0.431	49%	0.493	S	S	.	.	S	Bend	trans	-116.8	-36.9	-172.4	-55.7	173.9	0	0	0	112.6	D263	D263-I265 PolarHBondContact O-N 2.79Å
266	L	70.8	Confident	60.9	Low	0 Å²	0	91.1 Å²	91.1	0%	0	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	127.1	-170.3	-173.5	71.1	0	0	0	111.7	W175 F184 K185 I220 Y222	W175-L266 HydrophobicContact CD2-CD2 3.8Å; W175-L266 HydrophobicContact CE3-CD2 3.36Å; W175-L266 HydrophobicContact CH2-CD2 3.58Å; W175-L266 HydrophobicContact CZ2-CD2 3.98Å; W175-L266 HydrophobicContact CZ3-CD2 3.22Å; F184-L266 HydrophobicContact CE2-CB 4.17Å; F184-L266 HydrophobicContact CZ-CD2 4.47Å; K185-L266 PolarHBondContact NZ-O 3.1Å; I220-L266 HydrophobicContact CG2-CD1 3.28Å; I220-L266 HydrophobicContact CG2-CD2 4.32Å; I220-L266 HydrophobicContact CG2-CG 4.18Å; Y222-L266 HydrophobicContact CD1-CD1 3.33Å; Y222-L266 HydrophobicContact CE1-CD1 3.28Å; Y222-L266 HydrophobicContact CG-CD1 4.01Å
267	S	70.8	Confident	63.1	Low	25 Å²	25	87 Å²	87	18%	0.175	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.2	166.9	70.5	0	0	0	0	110.1	A221	A221-S267 PolarHBondContact N-O 3.44Å; A221-S267 PolarHBondContact O-N 3.21Å; A221-S267 PolarHBondContact O-OG 3.16Å
268	C	75.4	Confident	65.3	Low	22 Å²	22	80.6 Å²	80.6	15%	0.149	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	111.2	173.6	-69.2	0	0	0	0	108.3	M187 D219	M187-C268 HydrophobicContact SD-CB 3.68Å; D219-C268 VanDerWaalsContact O-CA 3.32Å; D219-C268 WeakPolarHBondContact O-CA 3.39Å
269	R	79.9	Confident	67.7	Low	193 Å²	193	84.4 Å²	84.4	73%	0.728	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.6	179.5	-67.5	-176	179.8	177	1.1	110.1	W218 D219 A271	W218-R269 CarbonylContact C-O 3.52Å; W218-R269 WeakPolarHBondContact CA-O 3.39Å; D219-R269 PolarHBondContact N-O 3.34Å; D219-R269 PolarHBondContact O-N 3.28Å; R269-A271 PolarHBondContact O-N 3.3Å; R269-A271 VanDerWaalsContact O-N 3.15Å
270	K	80.5	Confident	69.8	Low	108 Å²	108	77.7 Å²	77.7	47%	0.47	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	109.7	176.3	-168.2	179.3	175.6	-175	0	109.2	W218	W218-K270 HydrophobicContact CE3-CB 3.74Å; W218-K270 HydrophobicContact CE3-CG 4.17Å; W218-K270 HydrophobicContact CH2-CB 4.12Å; W218-K270 HydrophobicContact CH2-CD 4.15Å; W218-K270 HydrophobicContact CH2-CG 4.11Å; W218-K270 HydrophobicContact CZ3-CB 3.48Å; W218-K270 VanDerWaalsContact CZ3-CB 3.48Å; W218-K270 HydrophobicContact CZ3-CD 4.36Å; W218-K270 HydrophobicContact CZ3-CG 3.93Å
271	A	78.3	Confident	72.2	Confident	35 Å²	35	80.1 Å²	80.1	29%	0.289	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	-34.5	177	0	0	0	0	0	111.3	V217 D219 R269 L349	V217-A271 HydrophobicContact CB-CB 4.42Å; V217-A271 HydrophobicContact CG1-CB 4.25Å; V217-A271 WeakPolarHBondContact O-CB 3.36Å; V217-A271 PolarHBondContact O-N 3.39Å; D219-A271 HydrophobicContact CB-CB 4.44Å; D219-A271 VanDerWaalsContact OD2-CB 3.28Å; D219-A271 WeakPolarHBondContact OD2-CB 3.39Å; R269-A271 PolarHBondContact O-N 3.3Å; R269-A271 VanDerWaalsContact O-N 3.15Å; A271-L349 HydrophobicContact CB-CD1 4.2Å; A271-L349 HydrophobicContact CB-CD2 4.18Å; A271-L349 WeakPolarHBondContact O-CD1 3.42Å
272	G	82.4	Confident	74.1	Confident	19 Å²	19	75.8 Å²	75.8	20%	0.196	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155	-163.9	175.9	0	0	0	0	0	114.1	V217 L349	V217-G272 PolarHBondContact N-O 2.99Å; V217-G272 PolarHBondContact O-N 2.97Å; G272-L349 VanDerWaalsContact CA-CD1 3.42Å
273	S	83.9	Confident	75.9	Confident	49 Å²	49	70.9 Å²	70.9	34%	0.343	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144.6	-178.5	55.6	0	0	0	0	113	L215	L215-S273 CarbonylContact O-C 3.58Å; L215-S273 VanDerWaalsContact O-CA 3.31Å; L215-S273 WeakPolarHBondContact O-CA 3.47Å
274	I	84.9	Confident	77.7	Confident	9 Å²	9	68.3 Å²	68.3	5%	0.046	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.2	175.5	-61.1	169.3	0	0	0	107.5	L215 V217 F306 I353	L215-I274 HydrophobicContact CB-CB 4.28Å; L215-I274 PolarHBondContact N-O 2.87Å; L215-I274 PolarHBondContact O-N 3.13Å; V217-I274 HydrophobicContact CG2-CD1 3.88Å; V217-I274 HydrophobicContact CG2-CG1 4.32Å; I274-F306 HydrophobicContact CG2-CE1 3.91Å; I274-I353 HydrophobicContact CD1-CB 3.86Å; I274-I353 HydrophobicContact CD1-CD1 3.65Å; I274-I353 HydrophobicContact CD1-CG1 4.33Å; I274-I353 HydrophobicContact CD1-CG2 3.8Å
275	M	83.3	Confident	79.2	Confident	90 Å²	90	58.9 Å²	58.9	44%	0.443	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	144.5	174.8	-62.2	-60.7	-72.1	0	0	110.2	S213 E214 R355	S213-M275 WeakPolarHBondContact OG-CE 3.45Å; E214-M275 HydrophobicContact CG-CE 4.46Å; E214-M275 HydrophobicContact CG-SD 3.51Å; E214-M275 VanDerWaalsContact CG-SD 3.51Å; M275-R355 PolarHBondContact O-NH2 3.35Å
276	R	82.2	Confident	80.5	Confident	16 Å²	16	55.9 Å²	55.9	6%	0.06	27%	0.272	C	S	.	.			trans	-94.3	164.2	169.6	-65.7	174.3	60	-141.6	-4.9	110.9	S213 L215 D280 C296 G298 E304	S213-R276 WeakPolarHBondContact O-CB 3.49Å; S213-R276 WeakPolarHBondContact O-CG 3.38Å; S213-R276 PolarHBondContact O-N 3.03Å; L215-R276 HydrophobicContact CD1-CG 4.05Å; L215-R276 HydrophobicContact CG-CG 3.87Å; R276-D280 PolarHBondContact NH1-O 3.42Å; R276-C296 PolarHBondContact NE-SG 3.45Å; R276-G298 VanDerWaalsContact NH2-N 3.13Å; R276-E304 WeakPolarHBondContact CB-OE2 3.44Å; R276-E304 WeakPolarHBondContact CG-OE2 3.46Å; R276-E304 IonicContact NE-OE2 3.81Å
277	E	78.8	Confident	81	Confident	113 Å²	113	57.7 Å²	57.7	53%	0.528	28%	0.283	S	S	.	.	S	Bend	trans	-83.3	-38.8	171.3	-69.3	-178.5	179.2	0	0	110.5	E304 R355 N358	E277-E304 PolarHBondContact N-OE1 3.18Å; E277-R355 IonicContact OE1-NH1 3.73Å; E277-R355 PolarHBondContact OE1-NH1 2.81Å; E277-N358 PolarHBondContact OE2-ND2 2.93Å
278	G	73.9	Confident	81.2	Confident	15 Å²	15	56.8 Å²	56.8	16%	0.155	28%	0.276	C	S	.	.			trans	-66.9	130.1	168.6	0	0	0	0	0	111.6	D280 E304	G278-D280 VanDerWaalsContact C-N 3.29Å; G278-E304 PolarHBondContact N-OE1 3Å
279	R	76.8	Confident	80.9	Confident	225 Å²	225	62.7 Å²	62.7	85%	0.849	30%	0.299	S	S	*	.			trans	-85.6	-6.8	172.7	-66.3	-175.4	178.6	-175.5	-1.1	113.3
280	D	81.1	Confident	80.3	Confident	57 Å²	57	58 Å²	58	31%	0.305	29%	0.293	S	S	.	.	S	Bend	trans	-78.8	155.8	-178.3	-77.9	4.6	0	0	0	112.5	R276 G278 V282 T299	R276-D280 PolarHBondContact NH1-O 3.42Å; G278-D280 VanDerWaalsContact C-N 3.29Å; D280-V282 PolarHBondContact O-N 3.36Å; D280-T299 VanDerWaalsContact CB-OG1 3.31Å; D280-T299 WeakPolarHBondContact CB-OG1 3.4Å; D280-T299 VanDerWaalsContact CG-OG1 3.27Å; D280-T299 PolarHBondContact OD2-OG1 2.98Å
281	R	85.3	Confident	79.8	Confident	101 Å²	101	54 Å²	54	38%	0.381	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-48	134.6	173	166.8	175.2	96.1	-178.6	1.5	112.1	W195 S211 V283 G298	W195-R281 HydrophobicContact CG-CG 4.22Å; S211-R281 WeakPolarHBondContact O-CA 3.48Å; R281-V283 PolarHBondContact O-N 2.89Å; R281-G298 WeakPolarHBondContact O-CA 3.28Å
282	V	84.9	Confident	79.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-64.9	129.1	169.1	-177.7	0	0	0	0	108.7	W195 A210 L215 D280 L285	W195-V282 WeakPolarHBondContact CB-O 3.36Å; A210-V282 WeakPolarHBondContact O-CB 3.44Å; A210-V282 WeakPolarHBondContact O-CG2 3.19Å; A210-V282 PolarHBondContact O-N 3.28Å; L215-V282 HydrophobicContact CD2-CG2 3.97Å; D280-V282 PolarHBondContact O-N 3.36Å; V282-L285 HydrophobicContact CG1-CD1 4.21Å; V282-L285 HydrophobicContact CG1-CD2 4.46Å; V282-L285 HydrophobicContact CG1-CG 3.87Å
283	V	83.6	Confident	79.8	Confident	32 Å²	32	57 Å²	57	19%	0.194	28%	0.28	C	S	.	.			trans	-99.2	-45	177.4	175.5	0	0	0	0	111	R281 H297 T299	R281-V283 PolarHBondContact O-N 2.89Å; V283-H297 PolarHBondContact N-O 3.48Å; V283-T299 HydrophobicContact CG2-CG2 3.88Å
284	N	83.3	Confident	79.9	Confident	42 Å²	42	54.8 Å²	54.8	23%	0.225	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	147.2	179.2	-161.5	2.4	0	0	0	110.6	H297 F368	N284-H297 VanDerWaalsContact CB-NE2 3.32Å; N284-H297 WeakPolarHBondContact CB-NE2 3.21Å; N284-H297 PolarHBondContact O-N 3.36Å; N284-F368 HydrophobicContact CB-CE1 4.21Å
285	L	85.6	Confident	80.1	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128	172.2	-76.3	166.6	0	0	0	108.1	V198 L215 V282 L294 C296	V198-L285 VanDerWaalsContact CG2-C 3.49Å; V198-L285 HydrophobicContact CG2-CB 3.45Å; V198-L285 VanDerWaalsContact CG2-CB 3.45Å; V198-L285 WeakPolarHBondContact CG2-O 3.3Å; L215-L285 HydrophobicContact CD2-CD1 4.1Å; L215-L285 HydrophobicContact CD2-CD2 4.08Å; V282-L285 HydrophobicContact CG1-CD1 4.21Å; V282-L285 HydrophobicContact CG1-CD2 4.46Å; V282-L285 HydrophobicContact CG1-CG 3.87Å; L285-L294 HydrophobicContact CD2-CD1 4.23Å; L285-C296 HydrophobicContact CD2-CB 3.22Å; L285-C296 HydrophobicContact CG-CB 4.33Å
286	A	83.9	Confident	80.2	Confident	21 Å²	21	50 Å²	50	17%	0.174	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	144.7	176.9	0	0	0	0	0	110.2	A295 F368	A286-A295 PolarHBondContact N-O 3.06Å; A286-A295 VanDerWaalsContact N-O 3.08Å; A286-A295 PolarHBondContact O-N 3.05Å; A286-F368 HydrophobicContact CB-CE1 4.47Å; A286-F368 HydrophobicContact CB-CE2 3.85Å; A286-F368 HydrophobicContact CB-CZ 3.61Å
287	V	81.4	Confident	80.5	Confident	38 Å²	38	49.3 Å²	49.3	23%	0.23	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	142.4	172.1	165	0	0	0	0	108.9	V198 V200 I293 L294	V198-V287 HydrophobicContact CB-CG2 4.14Å; V198-V287 HydrophobicContact CG1-CB 3.51Å; V198-V287 HydrophobicContact CG1-CG2 3.2Å; V200-V287 HydrophobicContact CG2-CG2 3.74Å; V287-I293 WeakPolarHBondContact CA-O 3.44Å; V287-L294 HydrophobicContact CG2-CB 3.98Å; V287-L294 HydrophobicContact CG2-CD1 3.45Å; V287-L294 VanDerWaalsContact CG2-CD1 3.45Å; V287-L294 HydrophobicContact CG2-CG 4.35Å
288	E	77	Confident	80.9	Confident	7 Å²	7	44 Å²	44	3%	0.033	21%	0.214	C	C	.	.			trans	-62.3	150.6	173.3	-176.2	179.2	-144.7	0	0	111.3	T290 G291 I293 H372 L378	E288-T290 PolarHBondContact O-N 3.31Å; E288-T290 PolarHBondContact OE2-OG1 3.03Å; E288-T290 VanDerWaalsContact OE2-OG1 3.05Å; E288-G291 PolarHBondContact O-N 2.91Å; E288-I293 HydrophobicContact CB-CB 4.38Å; E288-I293 PolarHBondContact N-O 3.31Å; E288-H372 WeakPolarHBondContact OE1-CB 3.27Å; E288-H372 IonicContact OE1-CE1 2.84Å; E288-H372 IonicContact OE1-CG 3.99Å; E288-H372 VanDerWaalsContact OE1-CG 3.22Å; E288-H372 IonicContact OE1-ND1 2.68Å; E288-H372 PolarHBondContact OE1-ND1 2.83Å; E288-L378 HydrophobicContact CG-CD1 4.49Å; E288-L378 WeakPolarHBondContact OE1-CD1 3.48Å
289	K	68.7	Low	81.4	Confident	145 Å²	145	45.5 Å²	45.5	63%	0.63	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-24.3	-178.8	-64.1	-171.7	177.5	-170.7	0	115.1
290	T	66.9	Low	81.9	Confident	96 Å²	96	38 Å²	38	59%	0.589	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-8.7	177.4	55.9	0	0	0	0	113.5	E288 R292	E288-T290 PolarHBondContact O-N 3.31Å; E288-T290 PolarHBondContact OE2-OG1 3.03Å; E288-T290 VanDerWaalsContact OE2-OG1 3.05Å; T290-R292 PolarHBondContact O-N 3.17Å
291	G	70.4	Confident	82.2	Confident	23 Å²	23	36.7 Å²	36.7	24%	0.237	19%	0.192	C	C	.	.	S	Bend	trans	76.2	2.3	-178.8	0	0	0	0	0	115	E288	E288-G291 PolarHBondContact O-N 2.91Å
292	R	77.1	Confident	82.4	Confident	113 Å²	113	33.9 Å²	33.9	43%	0.426	19%	0.186	S	C	.	.			trans	-86.5	-34.1	-171.3	-165.5	176.7	-173.9	166.7	7.6	113.7	T290 I308 E313	T290-R292 PolarHBondContact O-N 3.17Å; R292-I308 WeakPolarHBondContact CG-O 3.45Å; R292-I308 PolarHBondContact O-N 3.34Å; R292-E313 IonicContact CZ-OE1 3.88Å; R292-E313 VanDerWaalsContact NH2-CD 3.34Å; R292-E313 IonicContact NH2-OE1 3.75Å; R292-E313 PolarHBondContact NH2-OE1 3.45Å; R292-E313 IonicContact NH2-OE2 3.66Å; R292-E313 PolarHBondContact NH2-OE2 3.12Å; R292-E313 VanDerWaalsContact NH2-OE2 3.09Å
293	I	83.5	Confident	82.6	Confident	5 Å²	5	33.9 Å²	33.9	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.3	-177	-57.6	178.1	0	0	0	108.9	V287 E288 L305 F306 L378 P396	V287-I293 WeakPolarHBondContact CA-O 3.44Å; E288-I293 HydrophobicContact CB-CB 4.38Å; E288-I293 PolarHBondContact N-O 3.31Å; I293-L305 HydrophobicContact CG2-CD2 4.29Å; I293-F306 WeakPolarHBondContact CA-O 3.47Å; I293-L378 HydrophobicContact CD1-CD1 4.28Å; I293-L378 HydrophobicContact CD1-CD2 3.84Å; I293-L378 HydrophobicContact CD1-CG 4.44Å; I293-L378 HydrophobicContact CG2-CD2 4.15Å; I293-P396 HydrophobicContact CD1-CB 3.79Å; I293-P396 HydrophobicContact CD1-CG 3.96Å
294	L	85.7	Confident	82.8	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	137.9	170.1	169.3	74.1	0	0	0	108.3	I207 L285 V287 F306 I308	I207-L294 HydrophobicContact CD1-CD2 3.58Å; I207-L294 HydrophobicContact CG2-CD2 4.39Å; L285-L294 HydrophobicContact CD2-CD1 4.23Å; V287-L294 HydrophobicContact CG2-CB 3.98Å; V287-L294 HydrophobicContact CG2-CD1 3.45Å; V287-L294 VanDerWaalsContact CG2-CD1 3.45Å; V287-L294 HydrophobicContact CG2-CG 4.35Å; L294-F306 HydrophobicContact CB-CB 4.14Å; L294-F306 HydrophobicContact CD2-CB 4.18Å; L294-F306 HydrophobicContact CD2-CD2 4.13Å; L294-F306 HydrophobicContact CD2-CG 4.36Å; L294-F306 HydrophobicContact CG-CB 4.45Å; L294-F306 HydrophobicContact CG-CD2 4.35Å; L294-F306 PolarHBondContact N-O 3.02Å; L294-F306 PolarHBondContact O-N 2.91Å; L294-I308 HydrophobicContact CB-CD1 3.94Å
295	A	88.1	Confident	83	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	140.1	174.8	0	0	0	0	0	110.9	A286 L303 E304 L305 F368 L370	A286-A295 PolarHBondContact N-O 3.06Å; A286-A295 VanDerWaalsContact N-O 3.08Å; A286-A295 PolarHBondContact O-N 3.05Å; A295-L303 HydrophobicContact CB-CD1 4.22Å; A295-L303 HydrophobicContact CB-CD2 4.31Å; A295-L303 HydrophobicContact CB-CG 4.45Å; A295-E304 WeakPolarHBondContact CA-O 3.39Å; A295-L305 HydrophobicContact CB-CD2 3.48Å; A295-L305 VanDerWaalsContact CB-CD2 3.48Å; A295-F368 HydrophobicContact CB-CE2 3.44Å; A295-F368 VanDerWaalsContact CB-CE2 3.44Å; A295-F368 HydrophobicContact CB-CZ 3.67Å; A295-L370 HydrophobicContact CB-CD1 3.5Å
296	C	87.1	Confident	83.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146.4	173.2	98.8	0	0	0	0	110.8	R276 L285 L303 E304 F306	R276-C296 PolarHBondContact NE-SG 3.45Å; L285-C296 HydrophobicContact CD2-CB 3.22Å; L285-C296 HydrophobicContact CG-CB 4.33Å; C296-L303 WeakPolarHBondContact O-CD1 3.32Å; C296-E304 PolarHBondContact N-O 3.49Å; C296-E304 PolarHBondContact O-N 3.03Å; C296-E304 PolarHBondContact SG-OE2 3.22Å; C296-E304 VanDerWaalsContact SG-OE2 3.38Å; C296-F306 HydrophobicContact CB-CE2 4.49Å
297	H	88.4	Confident	83	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	154.2	163.9	72.4	108.3	0	0	0	110.8	V283 N284 L303 I365 K366 F368	V283-H297 PolarHBondContact N-O 3.48Å; N284-H297 VanDerWaalsContact CB-NE2 3.32Å; N284-H297 WeakPolarHBondContact CB-NE2 3.21Å; N284-H297 PolarHBondContact O-N 3.36Å; H297-L303 HydrophobicContact CB-CD1 3.9Å; H297-I365 HydrophobicContact CB-CD1 4.43Å; H297-K366 PolarHBondContact CE1-O 2.68Å; H297-F368 AromaticContact CD2-CD1 3.25Å; H297-F368 WeakPolarHBondContact CD2-CD1 3.19Å; H297-F368 AromaticContact CD2-CE1 3.27Å; H297-F368 WeakPolarHBondContact CD2-CE1 3.38Å; H297-F368 AromaticContact NE2-CD1 3.63Å; H297-F368 AromaticContact NE2-CE1 3.87Å
298	G	85.6	Confident	83.1	Confident	2 Å²	2	29.4 Å²	29.4	2%	0.021	16%	0.158	C	C	.	.			trans	-96.7	-154.3	165.8	0	0	0	0	0	111.6	R276 R281 D300	R276-G298 VanDerWaalsContact NH2-N 3.13Å; R281-G298 WeakPolarHBondContact O-CA 3.28Å; G298-D300 PolarHBondContact O-N 2.89Å
299	T	84.8	Confident	83.2	Confident	46 Å²	46	30.1 Å²	30.1	28%	0.282	16%	0.161	S	C	.	.	S	Bend	trans	-76	-7.5	172.3	36.8	0	0	0	0	114.3	D280 V283	D280-T299 VanDerWaalsContact CB-OG1 3.31Å; D280-T299 WeakPolarHBondContact CB-OG1 3.4Å; D280-T299 VanDerWaalsContact CG-OG1 3.27Å; D280-T299 PolarHBondContact OD2-OG1 2.98Å; V283-T299 HydrophobicContact CG2-CG2 3.88Å
300	D	87.3	Confident	83.6	Confident	68 Å²	68	25.7 Å²	25.7	36%	0.364	15%	0.148	S	C	.	.	S	Bend	trans	-80.6	-179.7	-179.7	-81.1	-28.3	0	0	0	113.9	G298 V302 I365	G298-D300 PolarHBondContact O-N 2.89Å; D300-V302 VanDerWaalsContact C-N 3.27Å; D300-I365 PolarHBondContact O-N 2.97Å
301	S	87.8	Confident	83.9	Confident	29 Å²	29	28.1 Å²	28.1	20%	0.203	15%	0.151	C	C	.	.	S	Bend	trans	-84.7	6.1	176.6	56	0	0	0	0	114	T361 A363	S301-T361 PolarHBondContact O-N 3.28Å; S301-T361 PolarHBondContact O-OG1 3.09Å; S301-A363 VanDerWaalsContact CB-O 3.25Å; S301-A363 WeakPolarHBondContact CB-O 3.33Å
302	V	89.6	Confident	84.2	Confident	43 Å²	43	33.4 Å²	33.4	26%	0.261	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.1	-172.9	-175.1	0	0	0	0	110.3	D300 N358 I359 K360	D300-V302 VanDerWaalsContact C-N 3.27Å; V302-N358 HydrophobicContact CG1-CB 3.73Å; V302-I359 WeakPolarHBondContact CA-O 3.36Å; V302-K360 HydrophobicContact CG2-CG 4.5Å
303	L	88.6	Confident	84.2	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	124.1	165.8	-174.8	79.3	0	0	0	108.9	A295 C296 H297 L305 N358 I359 I365 F368 F382	A295-L303 HydrophobicContact CB-CD1 4.22Å; A295-L303 HydrophobicContact CB-CD2 4.31Å; A295-L303 HydrophobicContact CB-CG 4.45Å; C296-L303 WeakPolarHBondContact O-CD1 3.32Å; H297-L303 HydrophobicContact CB-CD1 3.9Å; L303-L305 HydrophobicContact CD2-CD2 3.74Å; L303-L305 HydrophobicContact CD2-CG 4.34Å; L303-L305 HydrophobicContact CG-CD2 4.3Å; L303-N358 CarbonylContact O-C 3.58Å; L303-N358 VanDerWaalsContact O-CA 3.31Å; L303-N358 WeakPolarHBondContact O-CA 3.43Å; L303-I359 HydrophobicContact CB-CB 4.23Å; L303-I359 HydrophobicContact CD2-CD1 4.34Å; L303-I359 PolarHBondContact N-O 3.47Å; L303-I359 PolarHBondContact O-N 2.96Å; L303-I365 HydrophobicContact CB-CD1 4.17Å; L303-F368 HydrophobicContact CD1-CD1 3.89Å; L303-F368 HydrophobicContact CD1-CD2 3.86Å; L303-F368 HydrophobicContact CD1-CE1 3.92Å; L303-F368 HydrophobicContact CD1-CE2 3.86Å; L303-F368 HydrophobicContact CD1-CG 3.87Å; L303-F368 HydrophobicContact CD1-CZ 3.88Å; L303-F368 HydrophobicContact CD2-CD2 4.22Å; L303-F368 HydrophobicContact CD2-CE2 4.46Å; L303-F382 HydrophobicContact CB-CE1 3.8Å; L303-F382 HydrophobicContact CB-CZ 4.05Å; L303-F382 HydrophobicContact CD1-CE1 4.22Å; L303-F382 HydrophobicContact CD2-CE1 3.62Å; L303-F382 HydrophobicContact CD2-CZ 3.54Å; L303-F382 HydrophobicContact CG-CE1 4.07Å; L303-F382 HydrophobicContact CG-CZ 4.32Å
304	E	87.8	Confident	83.8	Confident	9 Å²	9	31.7 Å²	31.7	4%	0.042	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	129.4	174.4	-60.3	175.7	178.7	0	0	109	R276 E277 G278 A295 C296 F306	R276-E304 WeakPolarHBondContact CB-OE2 3.44Å; R276-E304 WeakPolarHBondContact CG-OE2 3.46Å; R276-E304 IonicContact NE-OE2 3.81Å; E277-E304 PolarHBondContact N-OE1 3.18Å; G278-E304 PolarHBondContact N-OE1 3Å; A295-E304 WeakPolarHBondContact CA-O 3.39Å; C296-E304 PolarHBondContact N-O 3.49Å; C296-E304 PolarHBondContact O-N 3.03Å; C296-E304 PolarHBondContact SG-OE2 3.22Å; C296-E304 VanDerWaalsContact SG-OE2 3.38Å; E304-F306 HydrophobicContact CB-CE2 3.93Å; E304-F306 HydrophobicContact CB-CZ 4.28Å
305	L	88.3	Confident	83.4	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.8	178.9	-67.2	-179	0	0	0	109.9	I293 A295 L303 V356 I359 L378 L394	I293-L305 HydrophobicContact CG2-CD2 4.29Å; A295-L305 HydrophobicContact CB-CD2 3.48Å; A295-L305 VanDerWaalsContact CB-CD2 3.48Å; L303-L305 HydrophobicContact CD2-CD2 3.74Å; L303-L305 HydrophobicContact CD2-CG 4.34Å; L303-L305 HydrophobicContact CG-CD2 4.3Å; L305-V356 HydrophobicContact CB-CB 3.87Å; L305-V356 HydrophobicContact CB-CG1 4.45Å; L305-V356 PolarHBondContact O-N 3.29Å; L305-I359 HydrophobicContact CD1-CD1 3.98Å; L305-I359 HydrophobicContact CD1-CG1 4.14Å; L305-L378 HydrophobicContact CD1-CD2 4.3Å; L305-L394 HydrophobicContact CD1-CD2 4Å
306	F	86.8	Confident	83	Confident	1 Å²	1	44.5 Å²	44.5	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129.4	177	-57.3	-92	0	0	0	108.9	L215 I274 I293 L294 C296 E304 I353 Q354 R355	L215-F306 HydrophobicContact CD1-CE2 3.9Å; L215-F306 HydrophobicContact CD1-CZ 4.04Å; I274-F306 HydrophobicContact CG2-CE1 3.91Å; I293-F306 WeakPolarHBondContact CA-O 3.47Å; L294-F306 HydrophobicContact CB-CB 4.14Å; L294-F306 HydrophobicContact CD2-CB 4.18Å; L294-F306 HydrophobicContact CD2-CD2 4.13Å; L294-F306 HydrophobicContact CD2-CG 4.36Å; L294-F306 HydrophobicContact CG-CB 4.45Å; L294-F306 HydrophobicContact CG-CD2 4.35Å; L294-F306 PolarHBondContact N-O 3.02Å; L294-F306 PolarHBondContact O-N 2.91Å; C296-F306 HydrophobicContact CB-CE2 4.49Å; E304-F306 HydrophobicContact CB-CE2 3.93Å; E304-F306 HydrophobicContact CB-CZ 4.28Å; F306-I353 HydrophobicContact CB-CG2 3.72Å; F306-I353 HydrophobicContact CD1-CG2 4.05Å; F306-I353 HydrophobicContact CG-CG2 4.21Å; F306-Q354 CarbonylContact C-O 3.55Å; F306-Q354 WeakPolarHBondContact CA-O 3.42Å; F306-R355 HydrophobicContact CD1-CG 3.72Å; F306-R355 HydrophobicContact CE1-CG 3.53Å
307	C	83.1	Confident	82.6	Confident	19 Å²	19	47.9 Å²	47.9	13%	0.128	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.1	174.5	-174.9	0	0	0	0	109	Q354 V356	C307-Q354 PolarHBondContact N-O 2.98Å; C307-Q354 PolarHBondContact O-N 2.82Å; C307-V356 HydrophobicContact CB-CG2 3.58Å
308	I	82.5	Confident	81.8	Confident	10 Å²	10	49.5 Å²	49.5	5%	0.051	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	121.7	170	-61	122.8	0	0	0	107.6	V200 R292 L294 I353	V200-I308 HydrophobicContact CB-CD1 4.46Å; V200-I308 HydrophobicContact CG1-CB 4.42Å; V200-I308 HydrophobicContact CG1-CD1 3.37Å; V200-I308 HydrophobicContact CG1-CG1 3.73Å; V200-I308 HydrophobicContact CG1-CG2 4.17Å; V200-I308 HydrophobicContact CG2-CD1 4.15Å; R292-I308 WeakPolarHBondContact CG-O 3.45Å; R292-I308 PolarHBondContact O-N 3.34Å; L294-I308 HydrophobicContact CB-CD1 3.94Å; I308-I353 HydrophobicContact CG1-CG1 4.12Å
309	L	79.2	Confident	81.6	Confident	21 Å²	21	53.9 Å²	53.9	11%	0.11	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-84.3	147.2	-177.7	-63.5	168.3	0	0	0	110.8	E313 I314 K317 D351 E352	L309-E313 HydrophobicContact CB-CB 4.26Å; L309-E313 VanDerWaalsContact CD2-OE2 3.26Å; L309-E313 WeakPolarHBondContact CD2-OE2 3.14Å; L309-I314 HydrophobicContact CB-CG1 4.02Å; L309-K317 HydrophobicContact CD1-CD 4.05Å; L309-D351 WeakPolarHBondContact CD1-O 3.46Å; L309-E352 PolarHBondContact N-O 2.9Å; L309-E352 VanDerWaalsContact N-O 3.07Å
310	S	76.5	Confident	81.4	Confident	52 Å²	52	58.4 Å²	58.4	36%	0.364	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-71.9	157.2	176.5	71.1	0	0	0	0	111.4	E312 E313 I314	S310-E312 PolarHBondContact O-N 3.36Å; S310-E312 VanDerWaalsContact O-N 3.08Å; S310-E313 PolarHBondContact O-N 2.93Å; S310-E313 WeakPolarHBondContact OG-CG 2.84Å; S310-E313 PolarHBondContact OG-N 3.12Å; S310-I314 VanDerWaalsContact O-CG1 3.31Å; S310-I314 WeakPolarHBondContact O-CG1 3.44Å; S310-I314 PolarHBondContact O-N 3.01Å
311	K	73.6	Confident	81.1	Confident	148 Å²	148	59 Å²	59	64%	0.643	28%	0.283	S	S	*	.	H	α-helix	trans	-52.5	-33.7	177.5	-67	178.9	-179.1	170.9	0	112.9	K315	K311-K315 WeakPolarHBondContact O-CG 3.42Å; K311-K315 PolarHBondContact O-N 3.18Å
312	E	75.9	Confident	80.4	Confident	133 Å²	133	60 Å²	60	62%	0.621	29%	0.285	S	S	*	.	H	α-helix	trans	-71.4	-40.4	176.5	-62.7	-173.3	-178	0	0	113.4	S310 K315 K316	S310-E312 PolarHBondContact O-N 3.36Å; S310-E312 VanDerWaalsContact O-N 3.08Å; E312-K315 PolarHBondContact O-N 2.75Å; E312-K316 WeakPolarHBondContact O-CG 3.49Å; E312-K316 PolarHBondContact O-N 3Å
313	E	77.1	Confident	80	Confident	64 Å²	64	64.6 Å²	64.6	30%	0.299	30%	0.301	S	S	.	.	H	α-helix	trans	-68.4	-38.9	177.2	-71	173.2	175.9	0	0	110.7	R292 L309 S310 K316 K317	R292-E313 IonicContact CZ-OE1 3.88Å; R292-E313 VanDerWaalsContact NH2-CD 3.34Å; R292-E313 IonicContact NH2-OE1 3.75Å; R292-E313 PolarHBondContact NH2-OE1 3.45Å; R292-E313 IonicContact NH2-OE2 3.66Å; R292-E313 PolarHBondContact NH2-OE2 3.12Å; R292-E313 VanDerWaalsContact NH2-OE2 3.09Å; L309-E313 HydrophobicContact CB-CB 4.26Å; L309-E313 VanDerWaalsContact CD2-OE2 3.26Å; L309-E313 WeakPolarHBondContact CD2-OE2 3.14Å; S310-E313 PolarHBondContact O-N 2.93Å; S310-E313 WeakPolarHBondContact OG-CG 2.84Å; S310-E313 PolarHBondContact OG-N 3.12Å; E313-K316 PolarHBondContact O-N 3.49Å; E313-K317 PolarHBondContact O-N 2.94Å
314	I	75.4	Confident	79.6	Confident	18 Å²	18	71.6 Å²	71.6	9%	0.092	33%	0.332	C	S	.	.	H	α-helix	trans	-59.8	-51.6	173	-63.4	166.6	0	0	0	110	L309 S310 K316 K317 M318 M347 E352	L309-I314 HydrophobicContact CB-CG1 4.02Å; S310-I314 VanDerWaalsContact O-CG1 3.31Å; S310-I314 WeakPolarHBondContact O-CG1 3.44Å; S310-I314 PolarHBondContact O-N 3.01Å; I314-K316 PolarHBondContact O-N 3.46Å; I314-K317 CarbonylContact O-C 3.58Å; I314-K317 WeakPolarHBondContact O-CB 3.46Å; I314-K317 PolarHBondContact O-N 3.28Å; I314-K317 VanDerWaalsContact O-N 3.07Å; I314-M318 HydrophobicContact CG2-CG 4.24Å; I314-M318 WeakPolarHBondContact O-CG 3.43Å; I314-M318 PolarHBondContact O-N 3.01Å; I314-M347 HydrophobicContact CG2-CE 4.02Å; I314-E352 HydrophobicContact CD1-CB 4.35Å; I314-E352 HydrophobicContact CD1-CG 3.72Å
315	K	77.9	Confident	79	Confident	146 Å²	146	72.5 Å²	72.5	64%	0.635	34%	0.341	S	S	*	.	H	α-helix	trans	-56.7	-46.4	177.3	-76.5	177.6	-178.2	-177.1	0	112.3	K311 E312 K317 M318 D319	K311-K315 WeakPolarHBondContact O-CG 3.42Å; K311-K315 PolarHBondContact O-N 3.18Å; E312-K315 PolarHBondContact O-N 2.75Å; K315-K317 VanDerWaalsContact C-N 3.29Å; K315-K317 PolarHBondContact O-N 3.04Å; K315-M318 PolarHBondContact O-N 2.92Å; K315-M318 VanDerWaalsContact O-N 3.17Å; K315-D319 PolarHBondContact O-N 3.2Å
316	K	80.4	Confident	78.4	Confident	124 Å²	124	80 Å²	80	54%	0.539	37%	0.369	S	S	.	.	H	α-helix	trans	-60.8	-36.3	176.3	-74	170.1	-176.3	163.1	0	112.7	E312 E313 I314 K320	E312-K316 WeakPolarHBondContact O-CG 3.49Å; E312-K316 PolarHBondContact O-N 3Å; E313-K316 PolarHBondContact O-N 3.49Å; I314-K316 PolarHBondContact O-N 3.46Å; K316-K320 WeakPolarHBondContact O-CG 3.15Å; K316-K320 PolarHBondContact O-N 2.89Å
317	K	77.4	Confident	78	Confident	71 Å²	71	87 Å²	87	31%	0.309	40%	0.4	S	S	.	.	H	α-helix	trans	-71.3	-42.1	174.5	-83.3	-172.4	175.7	-176.2	0	111.6	L309 E313 I314 K315 D319 K320 K321	L309-K317 HydrophobicContact CD1-CD 4.05Å; E313-K317 PolarHBondContact O-N 2.94Å; I314-K317 CarbonylContact O-C 3.58Å; I314-K317 WeakPolarHBondContact O-CB 3.46Å; I314-K317 PolarHBondContact O-N 3.28Å; I314-K317 VanDerWaalsContact O-N 3.07Å; K315-K317 VanDerWaalsContact C-N 3.29Å; K315-K317 PolarHBondContact O-N 3.04Å; K317-D319 PolarHBondContact O-N 2.69Å; K317-K320 WeakPolarHBondContact O-CB 3.46Å; K317-K320 PolarHBondContact O-N 2.56Å; K317-K320 VanDerWaalsContact O-N 3.14Å; K317-K321 PolarHBondContact O-N 2.97Å
318	M	72.8	Confident	77.6	Confident	35 Å²	35	93.2 Å²	93.2	17%	0.172	42%	0.424	C	S	.	.	H	α-helix	trans	-60.4	-44.9	176	-70.8	-59.7	-78.2	0	0	110.9	I314 K315 K320 K321 M322 V345 M347	I314-M318 HydrophobicContact CG2-CG 4.24Å; I314-M318 WeakPolarHBondContact O-CG 3.43Å; I314-M318 PolarHBondContact O-N 3.01Å; K315-M318 PolarHBondContact O-N 2.92Å; K315-M318 VanDerWaalsContact O-N 3.17Å; M318-K320 VanDerWaalsContact C-N 3.28Å; M318-K320 PolarHBondContact O-N 3.46Å; M318-K321 CarbonylContact O-C 3.59Å; M318-K321 PolarHBondContact O-N 3.11Å; M318-K321 VanDerWaalsContact O-N 3.08Å; M318-M322 WeakPolarHBondContact O-CB 3.3Å; M318-M322 VanDerWaalsContact O-CG 3.3Å; M318-M322 WeakPolarHBondContact O-CG 3.42Å; M318-M322 PolarHBondContact O-N 3.34Å; M318-V345 HydrophobicContact CE-CB 4.41Å; M318-V345 HydrophobicContact CE-CG1 4.21Å; M318-M347 HydrophobicContact CE-CG 3.97Å
319	D	80.1	Confident	76.7	Confident	93 Å²	93	94.1 Å²	94.1	50%	0.497	43%	0.434	S	S	.	.	H	α-helix	trans	-59.4	-39	174.8	-70.7	-22.7	0	0	0	112.3	K315 K317 K323	K315-D319 PolarHBondContact O-N 3.2Å; K317-D319 PolarHBondContact O-N 2.69Å; D319-K323 VanDerWaalsContact O-CB 3.28Å; D319-K323 WeakPolarHBondContact O-CB 3.5Å; D319-K323 WeakPolarHBondContact O-CD 3.26Å; D319-K323 WeakPolarHBondContact O-CG 3.42Å; D319-K323 PolarHBondContact O-N 2.82Å
320	K	81	Confident	76	Confident	142 Å²	142	99.9 Å²	99.9	62%	0.617	46%	0.458	S	S	*	.	H	α-helix	trans	-68.2	-40.6	175.2	-73.9	174.4	-177.3	179.4	0	111.7	K316 K317 M318 K324	K316-K320 WeakPolarHBondContact O-CG 3.15Å; K316-K320 PolarHBondContact O-N 2.89Å; K317-K320 WeakPolarHBondContact O-CB 3.46Å; K317-K320 PolarHBondContact O-N 2.56Å; K317-K320 VanDerWaalsContact O-N 3.14Å; M318-K320 VanDerWaalsContact C-N 3.28Å; M318-K320 PolarHBondContact O-N 3.46Å; K320-K324 WeakPolarHBondContact O-CG 3.06Å; K320-K324 PolarHBondContact O-N 3.07Å
321	K	80.3	Confident	75.2	Confident	81 Å²	81	103.8 Å²	103.8	35%	0.352	47%	0.474	S	S	.	.	H	α-helix	trans	-66.6	-46.9	176.1	-80.5	-164.9	176.3	-166.4	0	111.3	K317 M318 K323 K324 A325 D351	K317-K321 PolarHBondContact O-N 2.97Å; M318-K321 CarbonylContact O-C 3.59Å; M318-K321 PolarHBondContact O-N 3.11Å; M318-K321 VanDerWaalsContact O-N 3.08Å; K321-K323 VanDerWaalsContact C-N 3.33Å; K321-K323 PolarHBondContact O-N 2.74Å; K321-K324 CarbonylContact O-C 3.36Å; K321-K324 PolarHBondContact O-N 3.21Å; K321-A325 WeakPolarHBondContact O-CB 3.46Å; K321-A325 PolarHBondContact O-N 3.38Å; K321-D351 VanDerWaalsContact CE-OD1 3.27Å; K321-D351 WeakPolarHBondContact CE-OD1 3.42Å; K321-D351 IonicContact NZ-OD1 2.64Å; K321-D351 PolarHBondContact NZ-OD1 2.89Å; K321-D351 IonicContact NZ-OD2 3.3Å; K321-D351 PolarHBondContact NZ-OD2 2.81Å
322	M	74.5	Confident	74.4	Confident	48 Å²	48	104.8 Å²	104.8	24%	0.236	48%	0.481	C	S	.	.	H	α-helix	trans	-58	-43.9	174.2	-72.4	-64.4	-80.5	0	0	111.4	M318 K324 A325 R326 V343 V345	M318-M322 WeakPolarHBondContact O-CB 3.3Å; M318-M322 VanDerWaalsContact O-CG 3.3Å; M318-M322 WeakPolarHBondContact O-CG 3.42Å; M318-M322 PolarHBondContact O-N 3.34Å; M322-K324 PolarHBondContact O-N 3.45Å; M322-A325 PolarHBondContact O-N 2.88Å; M322-R326 VanDerWaalsContact O-CB 3.27Å; M322-R326 WeakPolarHBondContact O-CB 3.41Å; M322-R326 VanDerWaalsContact O-CG 3.25Å; M322-R326 WeakPolarHBondContact O-CG 3.37Å; M322-R326 PolarHBondContact O-N 3.24Å; M322-V343 WeakPolarHBondContact CE-O 3.38Å; M322-V345 HydrophobicContact SD-CB 3.99Å; M322-V345 HydrophobicContact SD-CG2 3.54Å; M322-V345 VanDerWaalsContact SD-CG2 3.54Å
323	K	81.1	Confident	73.3	Confident	140 Å²	140	101.8 Å²	101.8	61%	0.609	47%	0.474	S	S	*	.	H	α-helix	trans	-63.2	-38.5	173.8	-75.8	171.7	-175.5	178.2	0	112.7	D319 K321 K327	D319-K323 VanDerWaalsContact O-CB 3.28Å; D319-K323 WeakPolarHBondContact O-CB 3.5Å; D319-K323 WeakPolarHBondContact O-CD 3.26Å; D319-K323 WeakPolarHBondContact O-CG 3.42Å; D319-K323 PolarHBondContact O-N 2.82Å; K321-K323 VanDerWaalsContact C-N 3.33Å; K321-K323 PolarHBondContact O-N 2.74Å; K323-K327 WeakPolarHBondContact O-CB 3.45Å; K323-K327 VanDerWaalsContact O-CG 3.27Å; K323-K327 WeakPolarHBondContact O-CG 3.27Å; K323-K327 PolarHBondContact O-N 2.98Å
324	K	80.1	Confident	71.9	Confident	148 Å²	148	103.9 Å²	103.9	64%	0.643	50%	0.495	S	S	*	.	H	α-helix	trans	-71	-40.5	175.8	-77.7	-178.2	178.3	-174.9	0	112.3	K320 K321 M322 K327 K328	K320-K324 WeakPolarHBondContact O-CG 3.06Å; K320-K324 PolarHBondContact O-N 3.07Å; K321-K324 CarbonylContact O-C 3.36Å; K321-K324 PolarHBondContact O-N 3.21Å; M322-K324 PolarHBondContact O-N 3.45Å; K324-K327 PolarHBondContact O-N 3.25Å; K324-K328 PolarHBondContact O-N 3.43Å
325	A	75.7	Confident	70.5	Confident	28 Å²	28	112.6 Å²	112.6	23%	0.231	53%	0.532	C	S	.	.	H	α-helix	trans	-66.3	-45.8	177.4	0	0	0	0	0	110.6	K321 M322 K327 K328 A329 V343	K321-A325 WeakPolarHBondContact O-CB 3.46Å; K321-A325 PolarHBondContact O-N 3.38Å; M322-A325 PolarHBondContact O-N 2.88Å; A325-K327 VanDerWaalsContact C-N 3.32Å; A325-K327 PolarHBondContact O-N 3.19Å; A325-K328 PolarHBondContact O-N 3.32Å; A325-K328 VanDerWaalsContact O-N 3.15Å; A325-A329 WeakPolarHBondContact O-CB 3.49Å; A325-A329 PolarHBondContact O-N 2.86Å; A325-V343 HydrophobicContact CB-CG1 4.12Å
326	R	75.9	Confident	68.7	Low	157 Å²	157	108.7 Å²	108.7	59%	0.592	53%	0.533	S	S	*	.	H	α-helix	trans	-58.5	-40.4	170.7	-73.2	178.6	179.8	-172.4	0.6	112.3	M322 K330	M322-R326 VanDerWaalsContact O-CB 3.27Å; M322-R326 WeakPolarHBondContact O-CB 3.41Å; M322-R326 VanDerWaalsContact O-CG 3.25Å; M322-R326 WeakPolarHBondContact O-CG 3.37Å; M322-R326 PolarHBondContact O-N 3.24Å; R326-K330 WeakPolarHBondContact O-CB 3.38Å; R326-K330 VanDerWaalsContact O-CG 3.3Å; R326-K330 WeakPolarHBondContact O-CG 3.36Å; R326-K330 PolarHBondContact O-N 2.76Å
327	K	76.9	Confident	66.7	Low	149 Å²	149	112 Å²	112	65%	0.648	55%	0.551	S	S	*	*	H	α-helix	trans	-65.9	-40.2	174.1	-80	-179.1	179.2	-169	0	112.8	K323 K324 A325 L331	K323-K327 WeakPolarHBondContact O-CB 3.45Å; K323-K327 VanDerWaalsContact O-CG 3.27Å; K323-K327 WeakPolarHBondContact O-CG 3.27Å; K323-K327 PolarHBondContact O-N 2.98Å; K324-K327 PolarHBondContact O-N 3.25Å; A325-K327 VanDerWaalsContact C-N 3.32Å; A325-K327 PolarHBondContact O-N 3.19Å; K327-L331 WeakPolarHBondContact O-CB 3.2Å; K327-L331 PolarHBondContact O-N 2.87Å
328	K	74.9	Confident	65.1	Low	149 Å²	149	118.2 Å²	118.2	65%	0.648	58%	0.581	S	S	*	*	H	α-helix	trans	-68.6	-40.5	175.7	-80.6	-171.9	173.3	-170.4	0	112.2	K324 A325 L331 H332	K324-K328 PolarHBondContact O-N 3.43Å; A325-K328 PolarHBondContact O-N 3.32Å; A325-K328 VanDerWaalsContact O-N 3.15Å; K328-L331 PolarHBondContact O-N 3.06Å; K328-H332 PolarHBondContact O-CD2 3.32Å; K328-H332 PolarHBondContact O-N 3.4Å
329	A	63.4	Low	63.6	Low	30 Å²	30	125 Å²	125	25%	0.248	61%	0.612	C	S	.	*	H	α-helix	trans	-61.4	-44.8	174.4	0	0	0	0	0	111	A325 L331 H332 S333 P341	A325-A329 WeakPolarHBondContact O-CB 3.49Å; A325-A329 PolarHBondContact O-N 2.86Å; A329-L331 VanDerWaalsContact C-N 3.29Å; A329-L331 PolarHBondContact O-N 2.73Å; A329-H332 PolarHBondContact O-N 3.31Å; A329-H332 VanDerWaalsContact O-N 3.16Å; A329-S333 PolarHBondContact O-N 3.45Å; A329-P341 HydrophobicContact CB-CG 4.28Å
330	K	65.6	Low	61.8	Low	142 Å²	142	127.7 Å²	127.7	62%	0.617	63%	0.626	S	S	*	*	H	α-helix	trans	-64.8	-27.1	173.6	-73.8	-174.6	179.5	-158.8	0	114.5	R326 S333	R326-K330 WeakPolarHBondContact O-CB 3.38Å; R326-K330 VanDerWaalsContact O-CG 3.3Å; R326-K330 WeakPolarHBondContact O-CG 3.36Å; R326-K330 PolarHBondContact O-N 2.76Å; K330-S333 PolarHBondContact O-OG 3.45Å
331	L	59.9	Low	59.9	Low	134 Å²	134	125 Å²	125	70%	0.702	62%	0.623	S	S	*	*	H	α-helix	trans	-78.2	-32.6	173.4	-101.4	145.4	0	0	0	112	K327 K328 A329	K327-L331 WeakPolarHBondContact O-CB 3.2Å; K327-L331 PolarHBondContact O-N 2.87Å; K328-L331 PolarHBondContact O-N 3.06Å; A329-L331 VanDerWaalsContact C-N 3.29Å; A329-L331 PolarHBondContact O-N 2.73Å
332	H	56.8	Low	58.1	Low	169 Å²	169	130.3 Å²	130.3	78%	0.782	65%	0.65	S	S	*	*	H	α-helix	trans	-76.3	-26.1	173.6	-89.3	-73.6	0	0	0	112.9	K328 A329 C334	K328-H332 PolarHBondContact O-CD2 3.32Å; K328-H332 PolarHBondContact O-N 3.4Å; A329-H332 PolarHBondContact O-N 3.31Å; A329-H332 VanDerWaalsContact O-N 3.16Å; H332-C334 VanDerWaalsContact C-N 3.25Å; H332-C334 PolarHBondContact O-N 2.86Å
333	S	52.5	Low	56.8	Low	69 Å²	69	130.2 Å²	130.2	48%	0.483	65%	0.652	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81	12.6	178.8	79.6	0	0	0	0	114.9	A329 K330 K335	A329-S333 PolarHBondContact O-N 3.45Å; K330-S333 PolarHBondContact O-OG 3.45Å; S333-K335 PolarHBondContact O-N 2.8Å; S333-K335 VanDerWaalsContact O-N 3.14Å
334	C	48.3	Very low	55.1	Low	109 Å²	109	130.9 Å²	130.9	74%	0.736	66%	0.662	S	S	*	*	S	Bend	trans	-74.9	11.4	173	-73.5	0	0	0	0	114.4	H332	H332-C334 VanDerWaalsContact C-N 3.25Å; H332-C334 PolarHBondContact O-N 2.86Å
335	K	44.3	Very low	53.9	Low	200 Å²	200	126 Å²	126	87%	0.87	64%	0.644	S	S	*	*	S	Bend	trans	-133.8	83.1	164.3	-76.7	-171.7	175.7	-177.5	0	110.2	S333	S333-K335 PolarHBondContact O-N 2.8Å; S333-K335 VanDerWaalsContact O-N 3.14Å
336	G	40.7	Very low	52.8	Low	65 Å²	65	133 Å²	133	67%	0.67	67%	0.672	S	S	*	*	S	Bend	trans	84.6	125.1	158.2	0	0	0	0	0	116.9
337	E	37.8	Very low	51.8	Low	192 Å²	192	131.3 Å²	131.3	90%	0.897	67%	0.672	S	S	*	*			trans	80.1	126.1	162.7	-61.6	-176.3	172	0	0	119.7	E339	E337-E339 PolarHBondContact O-N 3.08Å
338	E	45.2	Very low	51.2	Low	202 Å²	202	126.7 Å²	126.7	94%	0.944	66%	0.659	S	S	*	*			trans	-83.3	91.6	178.8	-68.3	-177	152.9	0	0	110
339	E	41.2	Very low	51	Low	179 Å²	179	121 Å²	121	84%	0.836	64%	0.635	S	S	*	*			trans	-128.5	124.5	148.8	-73.1	-169.7	160.5	0	0	106.5	E337 P341	E337-E339 PolarHBondContact O-N 3.08Å; E339-P341 WeakPolarHBondContact O-CD 3.38Å
340	D	41.3	Very low	51.2	Low	148 Å²	148	126.7 Å²	126.7	79%	0.791	66%	0.657	S	S	*	*			trans	-65.7	110.4	169	-87.6	-38.4	0	0	0	107	E342	D340-E342 PolarHBondContact O-N 2.93Å
341	P	41.7	Very low	51.4	Low	85 Å²	85	121.6 Å²	121.6	55%	0.552	64%	0.637	S	S	*	*			trans	-68.8	127.1	175.2	28	-31.4	0	0	0	108.2	A329 E339 V343	A329-P341 HydrophobicContact CB-CG 4.28Å; E339-P341 WeakPolarHBondContact O-CD 3.38Å; P341-V343 HydrophobicContact CB-CG2 4.45Å; P341-V343 HydrophobicContact CG-CG2 4.21Å; P341-V343 PolarHBondContact O-N 3.32Å
342	E	43.2	Very low	52.1	Low	194 Å²	194	116.3 Å²	116.3	91%	0.907	61%	0.608	S	S	*	*			trans	-62.3	89.6	164.3	-76.4	-170.4	157.3	0	0	108.6	D340 N344	D340-E342 PolarHBondContact O-N 2.93Å; E342-N344 PolarHBondContact O-N 3.38Å
343	V	47.1	Very low	53.3	Low	46 Å²	46	108.6 Å²	108.6	28%	0.279	57%	0.573	S	S	.	*			trans	-76.6	92.7	175.4	-173.6	0	0	0	0	108.2	M322 A325 P341 V345	M322-V343 WeakPolarHBondContact CE-O 3.38Å; A325-V343 HydrophobicContact CB-CG1 4.12Å; P341-V343 HydrophobicContact CB-CG2 4.45Å; P341-V343 HydrophobicContact CG-CG2 4.21Å; P341-V343 PolarHBondContact O-N 3.32Å; V343-V345 HydrophobicContact CG1-CG2 3.9Å; V343-V345 PolarHBondContact O-N 3.33Å
344	N	45.7	Very low	54.6	Low	153 Å²	153	109.8 Å²	109.8	82%	0.818	57%	0.571	S	S	*	*			trans	-76.9	106.6	167.4	-111.9	-10.3	0	0	0	109	E342	E342-N344 PolarHBondContact O-N 3.38Å
345	V	54.2	Low	56.1	Low	45 Å²	45	109.5 Å²	109.5	27%	0.273	55%	0.554	S	S	.	*			trans	-92	103.4	171.8	-179.5	0	0	0	0	107.7	M318 M322 V343	M318-V345 HydrophobicContact CE-CB 4.41Å; M318-V345 HydrophobicContact CE-CG1 4.21Å; M322-V345 HydrophobicContact SD-CB 3.99Å; M322-V345 HydrophobicContact SD-CG2 3.54Å; M322-V345 VanDerWaalsContact SD-CG2 3.54Å; V343-V345 HydrophobicContact CG1-CG2 3.9Å; V343-V345 PolarHBondContact O-N 3.33Å
346	E	52.2	Low	57.9	Low	177 Å²	177	101.5 Å²	101.5	83%	0.827	52%	0.522	S	S	*	.			trans	-63.6	141.1	171.9	-68.7	-179	169	0	0	110.9	S348	E346-S348 PolarHBondContact O-N 3.49Å
347	M	56	Low	59.8	Low	120 Å²	120	100.7 Å²	100.7	59%	0.591	50%	0.504	S	S	*	.			trans	-71.2	114.9	-179.1	-72.4	-178.5	55.8	0	0	110.5	I314 M318	I314-M347 HydrophobicContact CG2-CE 4.02Å; M318-M347 HydrophobicContact CE-CG 3.97Å
348	S	63.5	Low	62	Low	52 Å²	52	93.9 Å²	93.9	36%	0.364	47%	0.474	S	S	.	.			trans	-85.8	138.5	172.2	78.7	0	0	0	0	111	E346 Q350 D351	E346-S348 PolarHBondContact O-N 3.49Å; S348-Q350 PolarHBondContact O-N 3.17Å; S348-Q350 VanDerWaalsContact O-N 3.14Å; S348-D351 WeakPolarHBondContact O-CB 3.45Å; S348-D351 PolarHBondContact O-N 3.05Å; S348-D351 PolarHBondContact OG-OD2 3.3Å
349	L	69.8	Low	64	Low	29 Å²	29	84.3 Å²	84.3	15%	0.152	43%	0.429	C	S	.	.	H	α-helix	trans	-57.6	-28.4	177.5	-75	175.5	0	0	0	113.6	V217 A271 G272 D351 E352 I353	V217-L349 HydrophobicContact CB-CD1 4.24Å; V217-L349 HydrophobicContact CG1-CD2 4.46Å; V217-L349 HydrophobicContact CG2-CD1 4.49Å; A271-L349 HydrophobicContact CB-CD1 4.2Å; A271-L349 HydrophobicContact CB-CD2 4.18Å; A271-L349 WeakPolarHBondContact O-CD1 3.42Å; G272-L349 VanDerWaalsContact CA-CD1 3.42Å; L349-D351 PolarHBondContact O-N 3.39Å; L349-E352 PolarHBondContact O-N 2.99Å; L349-I353 PolarHBondContact O-N 3.08Å
350	Q	68	Low	66.2	Low	150 Å²	150	83 Å²	83	70%	0.701	42%	0.421	S	S	*	.	H	α-helix	trans	-67.7	-20.4	177.4	-62.8	-177.5	2.9	0	0	113.1	S348	S348-Q350 PolarHBondContact O-N 3.17Å; S348-Q350 VanDerWaalsContact O-N 3.14Å
351	D	69.4	Low	68.4	Low	36 Å²	36	76.4 Å²	76.4	19%	0.193	39%	0.386	C	S	.	.	H	α-helix	trans	-81.2	-24.9	176.8	-69.9	-44.5	0	0	0	113.2	L309 K321 S348 L349	L309-D351 WeakPolarHBondContact CD1-O 3.46Å; K321-D351 VanDerWaalsContact CE-OD1 3.27Å; K321-D351 WeakPolarHBondContact CE-OD1 3.42Å; K321-D351 IonicContact NZ-OD1 2.64Å; K321-D351 PolarHBondContact NZ-OD1 2.89Å; K321-D351 IonicContact NZ-OD2 3.3Å; K321-D351 PolarHBondContact NZ-OD2 2.81Å; S348-D351 WeakPolarHBondContact O-CB 3.45Å; S348-D351 PolarHBondContact O-N 3.05Å; S348-D351 PolarHBondContact OG-OD2 3.3Å; L349-D351 PolarHBondContact O-N 3.39Å
352	E	75	Confident	70.6	Confident	22 Å²	22	75.2 Å²	75.2	10%	0.103	38%	0.379	C	S	.	.	H	α-helix	trans	-92.2	-42.5	-178.4	-178.2	167.3	178.9	0	0	111.9	R205 L309 I314 L349	R205-E352 IonicContact CZ-OE1 2.78Å; R205-E352 IonicContact CZ-OE2 3.8Å; R205-E352 IonicContact NH1-OE1 3.4Å; R205-E352 PolarHBondContact NH1-OE1 3.33Å; R205-E352 VanDerWaalsContact NH1-OE1 3.1Å; R205-E352 IonicContact NH1-OE2 2.7Å; R205-E352 PolarHBondContact NH1-OE2 3.42Å; R205-E352 IonicContact NH2-OE1 3.73Å; R205-E352 IonicContact NH2-OE2 3.86Å; R205-E352 PolarHBondContact NH2-OE2 3.37Å; L309-E352 PolarHBondContact N-O 2.9Å; L309-E352 VanDerWaalsContact N-O 3.07Å; I314-E352 HydrophobicContact CD1-CB 4.35Å; I314-E352 HydrophobicContact CD1-CG 3.72Å; L349-E352 PolarHBondContact O-N 2.99Å
353	I	81.4	Confident	72.7	Confident	8 Å²	8	67 Å²	67	4%	0.041	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	99.4	176.6	-59.2	172.6	0	0	0	107.8	I207 V217 I274 F306 I308 L349	I207-I353 HydrophobicContact CD1-CD1 4.07Å; V217-I353 HydrophobicContact CG2-CD1 4.25Å; I274-I353 HydrophobicContact CD1-CB 3.86Å; I274-I353 HydrophobicContact CD1-CD1 3.65Å; I274-I353 HydrophobicContact CD1-CG1 4.33Å; I274-I353 HydrophobicContact CD1-CG2 3.8Å; F306-I353 HydrophobicContact CB-CG2 3.72Å; F306-I353 HydrophobicContact CD1-CG2 4.05Å; F306-I353 HydrophobicContact CG-CG2 4.21Å; I308-I353 HydrophobicContact CG1-CG1 4.12Å; L349-I353 PolarHBondContact O-N 3.08Å
354	Q	80.8	Confident	74.8	Confident	94 Å²	94	70.3 Å²	70.3	44%	0.439	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	133.3	-178	-173.7	175.1	-11	0	0	110.8	F306 C307 V356	F306-Q354 CarbonylContact C-O 3.55Å; F306-Q354 WeakPolarHBondContact CA-O 3.42Å; C307-Q354 PolarHBondContact N-O 2.98Å; C307-Q354 PolarHBondContact O-N 2.82Å; Q354-V356 PolarHBondContact O-N 2.88Å
355	R	79.4	Confident	76.9	Confident	103 Å²	103	63.1 Å²	63.1	39%	0.389	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	134.4	171.2	-66	-173.8	-170.5	170.2	6	111.4	M275 E277 F306	M275-R355 PolarHBondContact O-NH2 3.35Å; E277-R355 IonicContact OE1-NH1 3.73Å; E277-R355 PolarHBondContact OE1-NH1 2.81Å; F306-R355 HydrophobicContact CD1-CG 3.72Å; F306-R355 HydrophobicContact CE1-CG 3.53Å
356	V	82.9	Confident	78.7	Confident	31 Å²	31	64.1 Å²	64.1	19%	0.188	32%	0.317	C	S	.	.			trans	-98.6	176.3	169.1	-174.9	0	0	0	0	108	L305 C307 Q354 L394 P401	L305-V356 HydrophobicContact CB-CB 3.87Å; L305-V356 HydrophobicContact CB-CG1 4.45Å; L305-V356 PolarHBondContact O-N 3.29Å; C307-V356 HydrophobicContact CB-CG2 3.58Å; Q354-V356 PolarHBondContact O-N 2.88Å; V356-L394 HydrophobicContact CG1-CD2 4.21Å; V356-P401 HydrophobicContact CG1-CG 3.6Å
357	T	80.1	Confident	80.5	Confident	49 Å²	49	55.9 Å²	55.9	30%	0.301	28%	0.279	S	S	.	.			trans	-62.4	133.2	174.2	53.5	0	0	0	0	112.1	P401	T357-P401 WeakPolarHBondContact CB-O 3.45Å; T357-P401 HydrophobicContact CG2-CG 4.42Å; T357-P401 WeakPolarHBondContact CG2-O 3.47Å; T357-P401 PolarHBondContact OG1-O 3.38Å
358	N	85	Confident	82.2	Confident	48 Å²	48	50.5 Å²	50.5	26%	0.257	25%	0.253	S	S	.	.			trans	-70.2	145.3	175.3	-60	-17.9	0	0	0	111.6	E277 V302 L303	E277-N358 PolarHBondContact OE2-ND2 2.93Å; V302-N358 HydrophobicContact CG1-CB 3.73Å; L303-N358 CarbonylContact O-C 3.58Å; L303-N358 VanDerWaalsContact O-CA 3.31Å; L303-N358 WeakPolarHBondContact O-CA 3.43Å
359	I	86.1	Confident	83.4	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	115.7	172.5	-52.1	-173	0	0	0	108.2	V302 L303 L305 A380 F382 Y392 P403	V302-I359 WeakPolarHBondContact CA-O 3.36Å; L303-I359 HydrophobicContact CB-CB 4.23Å; L303-I359 HydrophobicContact CD2-CD1 4.34Å; L303-I359 PolarHBondContact N-O 3.47Å; L303-I359 PolarHBondContact O-N 2.96Å; L305-I359 HydrophobicContact CD1-CD1 3.98Å; L305-I359 HydrophobicContact CD1-CG1 4.14Å; I359-A380 HydrophobicContact CD1-CB 4.26Å; I359-F382 HydrophobicContact CB-CZ 4.26Å; I359-F382 HydrophobicContact CD1-CZ 4.25Å; I359-F382 HydrophobicContact CG2-CE2 4Å; I359-F382 HydrophobicContact CG2-CZ 3.97Å; I359-Y392 HydrophobicContact CG2-CD1 3.61Å; I359-Y392 HydrophobicContact CG2-CD2 4.02Å; I359-Y392 HydrophobicContact CG2-CE1 3.78Å; I359-Y392 HydrophobicContact CG2-CE2 4.21Å; I359-Y392 HydrophobicContact CG2-CG 3.7Å; I359-P403 HydrophobicContact CD1-CB 4.26Å; I359-P403 HydrophobicContact CG1-CB 3.9Å; I359-P403 HydrophobicContact CG1-CG 4.39Å; I359-P403 HydrophobicContact CG2-CB 4.29Å
360	K	88.1	Confident	84.3	Confident	153 Å²	153	48.7 Å²	48.7	67%	0.665	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	118.9	172.2	-170.2	173.5	-178.4	176.6	0	109.8	V302 Y392	V302-K360 HydrophobicContact CG2-CG 4.5Å; K360-Y392 PolarHBondContact O-OH 2.9Å
361	T	87.5	Confident	85.2	Confident	9 Å²	9	42.4 Å²	42.4	6%	0.055	21%	0.21	C	C	.	.			trans	-91.4	170.1	178.5	59	0	0	0	0	111.4	S301 A363 I365 F382 L384 Y392	S301-T361 PolarHBondContact O-N 3.28Å; S301-T361 PolarHBondContact O-OG1 3.09Å; T361-A363 PolarHBondContact OG1-O 2.68Å; T361-I365 HydrophobicContact CG2-CD1 3.86Å; T361-I365 HydrophobicContact CG2-CG1 3.96Å; T361-I365 VanDerWaalsContact OG1-CG1 3.31Å; T361-I365 WeakPolarHBondContact OG1-CG1 3.41Å; T361-F382 HydrophobicContact CG2-CB 4.39Å; T361-F382 HydrophobicContact CG2-CD1 3.93Å; T361-F382 HydrophobicContact CG2-CD2 3.89Å; T361-F382 HydrophobicContact CG2-CE1 4.13Å; T361-F382 HydrophobicContact CG2-CE2 4.1Å; T361-F382 HydrophobicContact CG2-CG 3.78Å; T361-F382 HydrophobicContact CG2-CZ 4.2Å; T361-L384 HydrophobicContact CG2-CD2 4.37Å; T361-Y392 HydrophobicContact CG2-CE2 4.17Å
362	S	87.3	Confident	85.8	Confident	60 Å²	60	44.1 Å²	44.1	42%	0.42	22%	0.217	S	C	.	.	S	Bend	trans	-75.9	-21.3	-177	68.9	0	0	0	0	115	L384 E390	S362-L384 WeakPolarHBondContact OG-CD1 3.36Å; S362-E390 VanDerWaalsContact CB-OE1 3.26Å; S362-E390 WeakPolarHBondContact CB-OE1 3.3Å; S362-E390 PolarHBondContact N-OE2 2.82Å; S362-E390 PolarHBondContact OG-OE1 3.37Å
363	A	87.6	Confident	85.7	Confident	21 Å²	21	43.7 Å²	43.7	17%	0.174	22%	0.216	C	C	.	.	S	Bend	trans	-147.9	-179.7	179.8	0	0	0	0	0	110.2	S301 T361 I365 L384 N386	S301-A363 VanDerWaalsContact CB-O 3.25Å; S301-A363 WeakPolarHBondContact CB-O 3.33Å; T361-A363 PolarHBondContact OG1-O 2.68Å; A363-I365 PolarHBondContact O-N 3.49Å; A363-L384 HydrophobicContact CB-CB 4.34Å; A363-L384 HydrophobicContact CB-CD1 3.98Å; A363-N386 VanDerWaalsContact CB-ND2 3.31Å; A363-N386 WeakPolarHBondContact CB-ND2 3.25Å
364	K	90.9	Very high	85	Confident	115 Å²	115	49.3 Å²	49.3	50%	0.5	25%	0.253	S	S	.	.			trans	-63.3	132.9	180	-65.3	-176.4	178.6	-173.3	0	111.2	L384 Q385	K364-L384 WeakPolarHBondContact O-CA 3.3Å; K364-Q385 HydrophobicContact CB-CG 4.28Å; K364-Q385 PolarHBondContact O-N 3.24Å
365	I	90.8	Very high	84.2	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	128.2	-178.4	-58.8	167.6	0	0	0	108.4	H297 D300 L303 T361 A363 F382 L384	H297-I365 HydrophobicContact CB-CD1 4.43Å; D300-I365 PolarHBondContact O-N 2.97Å; L303-I365 HydrophobicContact CB-CD1 4.17Å; T361-I365 HydrophobicContact CG2-CD1 3.86Å; T361-I365 HydrophobicContact CG2-CG1 3.96Å; T361-I365 VanDerWaalsContact OG1-CG1 3.31Å; T361-I365 WeakPolarHBondContact OG1-CG1 3.41Å; A363-I365 PolarHBondContact O-N 3.49Å; I365-F382 HydrophobicContact CD1-CD1 3.93Å; I365-F382 HydrophobicContact CD1-CE1 3.95Å; I365-F382 HydrophobicContact CG1-CD1 4.17Å; I365-F382 HydrophobicContact CG2-CD1 4.03Å; I365-L384 HydrophobicContact CG1-CD2 4.04Å
366	K	90	Very high	83.8	Confident	66 Å²	66	49 Å²	49	29%	0.287	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-48.7	169.5	173.3	57.1	-165.2	168.9	0	111.1	Q22 H297 L383 Q385	Q22-K366 VanDerWaalsContact O-CD 3.24Å; Q22-K366 WeakPolarHBondContact O-CD 3.39Å; Q22-K366 WeakPolarHBondContact O-CE 3.43Å; Q22-K366 WeakPolarHBondContact O-CG 3.3Å; H297-K366 PolarHBondContact CE1-O 2.68Å; K366-L383 PolarHBondContact N-O 3.13Å; K366-Q385 HydrophobicContact CB-CG 4.06Å
367	S	90	Very high	83.8	Confident	5 Å²	5	50.2 Å²	50.2	4%	0.035	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	160.9	178.3	62.6	0	0	0	0	110.9	N25 I26 L383	N25-S367 WeakPolarHBondContact CA-OG 3.32Å; I26-S367 PolarHBondContact N-OG 3.23Å; S367-L383 PolarHBondContact N-O 3.3Å; S367-L383 PolarHBondContact O-N 3.27Å; S367-L383 WeakPolarHBondContact OG-CB 3.3Å
368	F	92.3	Very high	84	Confident	6 Å²	6	47.9 Å²	47.9	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	158.4	177.9	77.9	-76	0	0	0	110.3	N284 A286 A295 H297 L303 L370 V381 F382	N284-F368 HydrophobicContact CB-CE1 4.21Å; A286-F368 HydrophobicContact CB-CE1 4.47Å; A286-F368 HydrophobicContact CB-CE2 3.85Å; A286-F368 HydrophobicContact CB-CZ 3.61Å; A295-F368 HydrophobicContact CB-CE2 3.44Å; A295-F368 VanDerWaalsContact CB-CE2 3.44Å; A295-F368 HydrophobicContact CB-CZ 3.67Å; H297-F368 AromaticContact CD2-CD1 3.25Å; H297-F368 WeakPolarHBondContact CD2-CD1 3.19Å; H297-F368 AromaticContact CD2-CE1 3.27Å; H297-F368 WeakPolarHBondContact CD2-CE1 3.38Å; H297-F368 AromaticContact NE2-CD1 3.63Å; H297-F368 AromaticContact NE2-CE1 3.87Å; L303-F368 HydrophobicContact CD1-CD1 3.89Å; L303-F368 HydrophobicContact CD1-CD2 3.86Å; L303-F368 HydrophobicContact CD1-CE1 3.92Å; L303-F368 HydrophobicContact CD1-CE2 3.86Å; L303-F368 HydrophobicContact CD1-CG 3.87Å; L303-F368 HydrophobicContact CD1-CZ 3.88Å; L303-F368 HydrophobicContact CD2-CD2 4.22Å; L303-F368 HydrophobicContact CD2-CE2 4.46Å; F368-L370 HydrophobicContact CD2-CD2 4.29Å; F368-L370 HydrophobicContact CD2-CG 4.08Å; F368-L370 HydrophobicContact CE2-CD1 3.99Å; F368-L370 HydrophobicContact CE2-CD2 4.42Å; F368-L370 HydrophobicContact CE2-CG 3.88Å; F368-V381 CarbonylContact C-O 3.58Å; F368-V381 WeakPolarHBondContact CA-O 3.48Å; F368-V381 WeakPolarHBondContact CB-O 3.39Å; F368-F382 HydrophobicContact CB-CD1 3.64Å; F368-F382 HydrophobicContact CB-CE1 3.86Å; F368-F382 HydrophobicContact CG-CE1 4.48Å
369	D	89.8	Confident	84.1	Confident	38 Å²	38	47.3 Å²	47.3	20%	0.203	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	154.5	172.1	-168.5	20.9	0	0	0	110.8	F28 A380 V381	F28-D369 HydrophobicContact CD2-CB 4.01Å; F28-D369 WeakPolarHBondContact CD2-OD2 3.25Å; F28-D369 PolarHBondContact N-OD2 3.42Å; D369-A380 WeakPolarHBondContact O-CA 3.44Å; D369-V381 PolarHBondContact N-O 3.48Å; D369-V381 PolarHBondContact O-N 2.84Å
370	L	88.7	Confident	84.3	Confident	6 Å²	6	47.3 Å²	47.3	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.7	-172.9	-64.6	179	0	0	0	112	A295 F368 L378 K379 A380	A295-L370 HydrophobicContact CB-CD1 3.5Å; F368-L370 HydrophobicContact CD2-CD2 4.29Å; F368-L370 HydrophobicContact CD2-CG 4.08Å; F368-L370 HydrophobicContact CE2-CD1 3.99Å; F368-L370 HydrophobicContact CE2-CD2 4.42Å; F368-L370 HydrophobicContact CE2-CG 3.88Å; L370-L378 HydrophobicContact CB-CD1 4.38Å; L370-L378 HydrophobicContact CD2-CD1 4.45Å; L370-L378 HydrophobicContact CD2-CD2 4.46Å; L370-K379 WeakPolarHBondContact CA-O 3.43Å; L370-A380 HydrophobicContact CD2-CB 3.42Å; L370-A380 VanDerWaalsContact CD2-CB 3.42Å
371	I	85.3	Confident	84.4	Confident	17 Å²	17	40.1 Å²	40.1	9%	0.087	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	140.9	171.7	-78	-166.3	0	0	0	111.4	F28 K379	F28-I371 HydrophobicContact CB-CD1 3.17Å; F28-I371 HydrophobicContact CB-CG1 3.89Å; F28-I371 HydrophobicContact CD1-CD1 4.22Å; F28-I371 HydrophobicContact CD2-CB 3.97Å; F28-I371 HydrophobicContact CD2-CD1 3.82Å; F28-I371 HydrophobicContact CD2-CG1 3.56Å; F28-I371 HydrophobicContact CE2-CB 4.04Å; F28-I371 HydrophobicContact CE2-CG1 4.15Å; F28-I371 HydrophobicContact CG-CB 4.36Å; F28-I371 HydrophobicContact CG-CD1 3.52Å; F28-I371 HydrophobicContact CG-CG1 3.84Å; F28-I371 HydrophobicContact CZ-CB 4.49Å; I371-K379 PolarHBondContact N-O 2.83Å; I371-K379 PolarHBondContact O-N 3.33Å
372	H	82.4	Confident	84.6	Confident	73 Å²	73	39.7 Å²	39.7	34%	0.338	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	125.1	164.4	-142.3	71.2	0	0	0	111.2	E288 G376	E288-H372 WeakPolarHBondContact OE1-CB 3.27Å; E288-H372 IonicContact OE1-CE1 2.84Å; E288-H372 IonicContact OE1-CG 3.99Å; E288-H372 VanDerWaalsContact OE1-CG 3.22Å; E288-H372 IonicContact OE1-ND1 2.68Å; E288-H372 PolarHBondContact OE1-ND1 2.83Å; H372-G376 PolarHBondContact CE1-O 3.44Å; H372-G376 WeakPolarHBondContact NE2-CA 3.48Å; H372-G376 PolarHBondContact NE2-O 3.39Å
373	S	72.7	Confident	84.8	Confident	12 Å²	12	36.9 Å²	36.9	8%	0.084	20%	0.195	C	C	.	.			trans	-69.1	145.8	165.1	-173.7	0	0	0	0	109.5	Q375 G376 E377	S373-Q375 PolarHBondContact O-N 2.79Å; S373-G376 PolarHBondContact O-N 3.18Å; S373-E377 VanDerWaalsContact CB-O 3.26Å; S373-E377 WeakPolarHBondContact CB-O 3.32Å; S373-E377 PolarHBondContact N-O 2.83Å
374	P	66.7	Low	84.9	Confident	126 Å²	126	36 Å²	36	82%	0.818	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-16.3	173.6	22.1	-33.2	0	0	0	113.7
375	Q	65.4	Low	84.8	Confident	163 Å²	163	33.9 Å²	33.9	76%	0.762	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	0.9	178	-66.1	178.9	-15.7	0	0	114.6	S373 E377	S373-Q375 PolarHBondContact O-N 2.79Å; Q375-E377 HydrophobicContact CB-CG 4.5Å
376	G	70.2	Confident	84.6	Confident	28 Å²	28	35.6 Å²	35.6	29%	0.289	19%	0.188	S	C	.	.	S	Bend	trans	96.1	1.2	-179.6	0	0	0	0	0	115.1	H372 S373	H372-G376 PolarHBondContact CE1-O 3.44Å; H372-G376 WeakPolarHBondContact NE2-CA 3.48Å; H372-G376 PolarHBondContact NE2-O 3.39Å; S373-G376 PolarHBondContact O-N 3.18Å
377	E	82.4	Confident	84.6	Confident	56 Å²	56	32.6 Å²	32.6	26%	0.262	18%	0.176	S	C	.	.			trans	-92.9	128	-177.1	-45.2	-157.8	134.7	0	0	111.2	S373 Q375 N395	S373-E377 VanDerWaalsContact CB-O 3.26Å; S373-E377 WeakPolarHBondContact CB-O 3.32Å; S373-E377 PolarHBondContact N-O 2.83Å; Q375-E377 HydrophobicContact CB-CG 4.5Å; E377-N395 VanDerWaalsContact CA-OD1 3.24Å; E377-N395 WeakPolarHBondContact CA-OD1 3.39Å; E377-N395 WeakPolarHBondContact CB-OD1 3.36Å; E377-N395 WeakPolarHBondContact CG-OD1 3.21Å; E377-N395 PolarHBondContact OE1-ND2 3.16Å; E377-N395 VanDerWaalsContact OE1-ND2 3.09Å; E377-N395 PolarHBondContact OE1-OD1 3.32Å
378	L	84.5	Confident	84.5	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	124.1	169.6	-178.6	73.3	0	0	0	109.1	E288 I293 L305 L370 S393 L394	E288-L378 HydrophobicContact CG-CD1 4.49Å; E288-L378 WeakPolarHBondContact OE1-CD1 3.48Å; I293-L378 HydrophobicContact CD1-CD1 4.28Å; I293-L378 HydrophobicContact CD1-CD2 3.84Å; I293-L378 HydrophobicContact CD1-CG 4.44Å; I293-L378 HydrophobicContact CG2-CD2 4.15Å; L305-L378 HydrophobicContact CD1-CD2 4.3Å; L370-L378 HydrophobicContact CB-CD1 4.38Å; L370-L378 HydrophobicContact CD2-CD1 4.45Å; L370-L378 HydrophobicContact CD2-CD2 4.46Å; L378-S393 CarbonylContact O-C 3.53Å; L378-S393 WeakPolarHBondContact O-CA 3.28Å; L378-L394 WeakPolarHBondContact CA-O 3.46Å; L378-L394 HydrophobicContact CB-CB 4.45Å; L378-L394 WeakPolarHBondContact CB-O 3.38Å; L378-L394 HydrophobicContact CD2-CD2 4.18Å; L378-L394 PolarHBondContact N-O 2.86Å; L378-L394 PolarHBondContact O-N 3.29Å
379	K	87.9	Confident	84.4	Confident	35 Å²	35	32.3 Å²	32.3	15%	0.152	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.1	172.6	-72.9	-178.9	179.8	175.5	0	109.8	F28 L370 I371 L391 Y392	F28-K379 HydrophobicContact CZ-CB 4.1Å; L370-K379 WeakPolarHBondContact CA-O 3.43Å; I371-K379 PolarHBondContact N-O 2.83Å; I371-K379 PolarHBondContact O-N 3.33Å; K379-L391 HydrophobicContact CB-CD1 4.06Å; K379-L391 HydrophobicContact CG-CD1 4.45Å; K379-Y392 CarbonylContact C-O 3.59Å; K379-Y392 WeakPolarHBondContact CA-O 3.43Å
380	A	89.1	Confident	84.5	Confident	2 Å²	2	30.5 Å²	30.5	2%	0.017	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.8	175.8	0	0	0	0	0	109.9	I359 D369 L370 F382 L391 Y392	I359-A380 HydrophobicContact CD1-CB 4.26Å; D369-A380 WeakPolarHBondContact O-CA 3.44Å; L370-A380 HydrophobicContact CD2-CB 3.42Å; L370-A380 VanDerWaalsContact CD2-CB 3.42Å; A380-F382 HydrophobicContact CB-CE2 3.85Å; A380-F382 HydrophobicContact CB-CZ 3.94Å; A380-L391 WeakPolarHBondContact O-CA 3.34Å; A380-Y392 PolarHBondContact N-O 3.49Å; A380-Y392 PolarHBondContact O-N 3.27Å
381	V	90.9	Very high	84.6	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137	173.9	167.8	0	0	0	0	109.2	I26 F28 V39 L52 F368 D369 V389 E390 L391	I26-V381 HydrophobicContact CD1-CG1 3.4Å; I26-V381 HydrophobicContact CG1-CG1 3.79Å; I26-V381 HydrophobicContact CG2-CG1 4.39Å; F28-V381 HydrophobicContact CD1-CG2 4.41Å; F28-V381 HydrophobicContact CE1-CB 4.46Å; F28-V381 HydrophobicContact CE1-CG2 3.5Å; F28-V381 HydrophobicContact CE2-CB 4Å; F28-V381 HydrophobicContact CE2-CG2 3.79Å; F28-V381 HydrophobicContact CZ-CB 3.9Å; F28-V381 HydrophobicContact CZ-CG2 3.16Å; V39-V381 HydrophobicContact CG1-CG1 4.07Å; V39-V381 HydrophobicContact CG2-CG1 4.19Å; V39-V381 HydrophobicContact CG2-CG2 3.98Å; L52-V381 HydrophobicContact CD1-CG2 3.77Å; F368-V381 CarbonylContact C-O 3.58Å; F368-V381 WeakPolarHBondContact CA-O 3.48Å; F368-V381 WeakPolarHBondContact CB-O 3.39Å; D369-V381 PolarHBondContact N-O 3.48Å; D369-V381 PolarHBondContact O-N 2.84Å; V381-V389 HydrophobicContact CG1-CG1 3.96Å; V381-E390 CarbonylContact C-O 3.45Å; V381-E390 WeakPolarHBondContact CA-O 2.77Å; V381-L391 HydrophobicContact CG2-CB 4.36Å; V381-L391 HydrophobicContact CG2-CD1 3.42Å; V381-L391 VanDerWaalsContact CG2-CD1 3.42Å; V381-L391 HydrophobicContact CG2-CG 4.47Å
382	F	91.7	Very high	84.8	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.9	179.6	-59.6	-82	0	0	0	110.5	L303 I359 T361 I365 F368 A380 L384 V389 E390 Y392	L303-F382 HydrophobicContact CB-CE1 3.8Å; L303-F382 HydrophobicContact CB-CZ 4.05Å; L303-F382 HydrophobicContact CD1-CE1 4.22Å; L303-F382 HydrophobicContact CD2-CE1 3.62Å; L303-F382 HydrophobicContact CD2-CZ 3.54Å; L303-F382 HydrophobicContact CG-CE1 4.07Å; L303-F382 HydrophobicContact CG-CZ 4.32Å; I359-F382 HydrophobicContact CB-CZ 4.26Å; I359-F382 HydrophobicContact CD1-CZ 4.25Å; I359-F382 HydrophobicContact CG2-CE2 4Å; I359-F382 HydrophobicContact CG2-CZ 3.97Å; T361-F382 HydrophobicContact CG2-CB 4.39Å; T361-F382 HydrophobicContact CG2-CD1 3.93Å; T361-F382 HydrophobicContact CG2-CD2 3.89Å; T361-F382 HydrophobicContact CG2-CE1 4.13Å; T361-F382 HydrophobicContact CG2-CE2 4.1Å; T361-F382 HydrophobicContact CG2-CG 3.78Å; T361-F382 HydrophobicContact CG2-CZ 4.2Å; I365-F382 HydrophobicContact CD1-CD1 3.93Å; I365-F382 HydrophobicContact CD1-CE1 3.95Å; I365-F382 HydrophobicContact CG1-CD1 4.17Å; I365-F382 HydrophobicContact CG2-CD1 4.03Å; F368-F382 HydrophobicContact CB-CD1 3.64Å; F368-F382 HydrophobicContact CB-CE1 3.86Å; F368-F382 HydrophobicContact CG-CE1 4.48Å; A380-F382 HydrophobicContact CB-CE2 3.85Å; A380-F382 HydrophobicContact CB-CZ 3.94Å; F382-L384 HydrophobicContact CB-CD2 4.09Å; F382-V389 VanDerWaalsContact O-CA 3.3Å; F382-V389 WeakPolarHBondContact O-CA 3.24Å; F382-E390 HydrophobicContact CB-CB 4.27Å; F382-E390 HydrophobicContact CD2-CB 4.49Å; F382-E390 PolarHBondContact N-O 3.4Å; F382-E390 PolarHBondContact O-N 2.87Å; F382-Y392 AromaticContact CD2-CD2 3.6Å; F382-Y392 HydrophobicContact CD2-CD2 3.6Å; F382-Y392 HydrophobicContact CD2-CE2 4.07Å; F382-Y392 AromaticContact CE2-CD2 3.43Å; F382-Y392 HydrophobicContact CE2-CD2 3.43Å; F382-Y392 VanDerWaalsContact CE2-CD2 3.43Å; F382-Y392 HydrophobicContact CE2-CE2 4.12Å; F382-Y392 HydrophobicContact CE2-CG 4.05Å
383	L	90.9	Very high	85	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	119.7	160.2	178.9	62.3	0	0	0	108.4	I26 V41 P42 K366 S367 V389	I26-L383 HydrophobicContact CB-CB 3.89Å; I26-L383 HydrophobicContact CD1-CB 3.85Å; I26-L383 HydrophobicContact CG2-CB 4.05Å; V41-L383 HydrophobicContact CG1-CD1 4Å; V41-L383 HydrophobicContact CG1-CD2 4.36Å; P42-L383 HydrophobicContact CG-CD2 4.47Å; K366-L383 PolarHBondContact N-O 3.13Å; S367-L383 PolarHBondContact N-O 3.3Å; S367-L383 PolarHBondContact O-N 3.27Å; S367-L383 WeakPolarHBondContact OG-CB 3.3Å; L383-V389 HydrophobicContact CD1-CG2 4.04Å
384	L	90.7	Very high	85.6	Confident	2 Å²	2	27.5 Å²	27.5	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	152.4	-179.3	-53.4	-176.5	0	0	0	110.8	T361 S362 A363 K364 I365 F382 N386 N387 L388	T361-L384 HydrophobicContact CG2-CD2 4.37Å; S362-L384 WeakPolarHBondContact OG-CD1 3.36Å; A363-L384 HydrophobicContact CB-CB 4.34Å; A363-L384 HydrophobicContact CB-CD1 3.98Å; K364-L384 WeakPolarHBondContact O-CA 3.3Å; I365-L384 HydrophobicContact CG1-CD2 4.04Å; F382-L384 HydrophobicContact CB-CD2 4.09Å; L384-N386 WeakPolarHBondContact CB-OD1 3.36Å; L384-N386 PolarHBondContact O-N 3.04Å; L384-N386 VanDerWaalsContact O-N 3.1Å; L384-N387 PolarHBondContact O-N 2.89Å; L384-L388 HydrophobicContact CB-CB 4.23Å; L384-L388 HydrophobicContact CD1-CB 4.18Å; L384-L388 HydrophobicContact CD1-CD2 3.6Å; L384-L388 HydrophobicContact CD1-CG 4.3Å; L384-L388 HydrophobicContact CG-CB 4.47Å; L384-L388 HydrophobicContact CG-CD2 4.24Å; L384-L388 PolarHBondContact N-O 3.32Å
385	Q	87.9	Confident	86.3	Confident	71 Å²	71	23.9 Å²	23.9	33%	0.332	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.1	178.6	-68.9	179.9	-12.3	0	0	113.2	K364 K366 N387 K697	K364-Q385 HydrophobicContact CB-CG 4.28Å; K364-Q385 PolarHBondContact O-N 3.24Å; K366-Q385 HydrophobicContact CB-CG 4.06Å; Q385-N387 VanDerWaalsContact C-N 3.28Å; Q385-N387 PolarHBondContact O-N 2.95Å; Q385-K697 PolarHBondContact O-NZ 2.83Å
386	N	87.8	Confident	86.5	Confident	38 Å²	38	18.3 Å²	18.3	20%	0.203	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	32.7	178.5	68.7	-14.1	0	0	0	113.7	A363 L384 L388 R415	A363-N386 VanDerWaalsContact CB-ND2 3.31Å; A363-N386 WeakPolarHBondContact CB-ND2 3.25Å; L384-N386 WeakPolarHBondContact CB-OD1 3.36Å; L384-N386 PolarHBondContact O-N 3.04Å; L384-N386 VanDerWaalsContact O-N 3.1Å; N386-L388 PolarHBondContact O-N 2.88Å; N386-L388 WeakPolarHBondContact OD1-CB 3.43Å; N386-R415 HydrophobicContact CB-CB 4.4Å; N386-R415 WeakPolarHBondContact O-CA 3.43Å
387	N	88.6	Confident	86.4	Confident	4 Å²	4	22.1 Å²	22.1	2%	0.021	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	46	172.7	-169.2	21.6	0	0	0	112.5	G17 I19 G20 L384 Q385 H414 K697	G17-N387 PolarHBondContact O-ND2 2.92Å; I19-N387 WeakPolarHBondContact CA-OD1 3.26Å; I19-N387 WeakPolarHBondContact CB-OD1 3.23Å; I19-N387 WeakPolarHBondContact CD1-O 3.32Å; I19-N387 PolarHBondContact N-OD1 3.43Å; G20-N387 PolarHBondContact N-OD1 3.38Å; G20-N387 PolarHBondContact O-OD1 3.45Å; L384-N387 PolarHBondContact O-N 2.89Å; Q385-N387 VanDerWaalsContact C-N 3.28Å; Q385-N387 PolarHBondContact O-N 2.95Å; N387-H414 WeakPolarHBondContact CB-O 3.36Å; N387-H414 PolarHBondContact ND2-O 2.89Å; N387-K697 HydrophobicContact CB-CD 3.8Å
388	L	89.2	Confident	85.8	Confident	2 Å²	2	24.2 Å²	24.2	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	140.6	-173.6	-170.7	156.5	0	0	0	110.6	L384 N386 E390 R408 T410	L384-L388 HydrophobicContact CB-CB 4.23Å; L384-L388 HydrophobicContact CD1-CB 4.18Å; L384-L388 HydrophobicContact CD1-CD2 3.6Å; L384-L388 HydrophobicContact CD1-CG 4.3Å; L384-L388 HydrophobicContact CG-CB 4.47Å; L384-L388 HydrophobicContact CG-CD2 4.24Å; L384-L388 PolarHBondContact N-O 3.32Å; N386-L388 PolarHBondContact O-N 2.88Å; N386-L388 WeakPolarHBondContact OD1-CB 3.43Å; L388-E390 HydrophobicContact CD2-CB 3.99Å; L388-E390 HydrophobicContact CD2-CG 3.51Å; L388-E390 VanDerWaalsContact CD2-OE1 3.32Å; L388-E390 WeakPolarHBondContact CD2-OE1 3.22Å; L388-R408 HydrophobicContact CD1-CG 4.45Å; L388-R408 VanDerWaalsContact CD1-NE 3.32Å; L388-R408 HydrophobicContact CD2-CG 4.2Å; L388-R408 HydrophobicContact CG-CG 4.47Å; L388-T410 HydrophobicContact CD1-CG2 4.44Å
389	V	90.6	Very high	84.7	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.3	172.6	177.9	0	0	0	0	110.6	I19 I26 V41 L52 V381 F382 L383 R408 I409	I19-V389 HydrophobicContact CG2-CB 4.38Å; I19-V389 HydrophobicContact CG2-CG2 3.76Å; I26-V389 HydrophobicContact CD1-CG1 3.88Å; I26-V389 HydrophobicContact CD1-CG2 3.86Å; V41-V389 HydrophobicContact CG1-CG2 4.4Å; V41-V389 HydrophobicContact CG2-CG2 4.13Å; L52-V389 HydrophobicContact CD2-CG1 4.17Å; V381-V389 HydrophobicContact CG1-CG1 3.96Å; F382-V389 VanDerWaalsContact O-CA 3.3Å; F382-V389 WeakPolarHBondContact O-CA 3.24Å; L383-V389 HydrophobicContact CD1-CG2 4.04Å; V389-R408 WeakPolarHBondContact O-CA 3.3Å; V389-I409 HydrophobicContact CB-CB 4.37Å; V389-I409 HydrophobicContact CB-CD1 4.36Å; V389-I409 HydrophobicContact CG1-CD1 4.43Å; V389-I409 PolarHBondContact O-N 2.93Å
390	E	90.4	Very high	83.5	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.5	-175.8	-108.7	163.8	-145.3	0	0	110.1	S362 V381 F382 L388 Y392 R405	S362-E390 VanDerWaalsContact CB-OE1 3.26Å; S362-E390 WeakPolarHBondContact CB-OE1 3.3Å; S362-E390 PolarHBondContact N-OE2 2.82Å; S362-E390 PolarHBondContact OG-OE1 3.37Å; V381-E390 CarbonylContact C-O 3.45Å; V381-E390 WeakPolarHBondContact CA-O 2.77Å; F382-E390 HydrophobicContact CB-CB 4.27Å; F382-E390 HydrophobicContact CD2-CB 4.49Å; F382-E390 PolarHBondContact N-O 3.4Å; F382-E390 PolarHBondContact O-N 2.87Å; L388-E390 HydrophobicContact CD2-CB 3.99Å; L388-E390 HydrophobicContact CD2-CG 3.51Å; L388-E390 VanDerWaalsContact CD2-OE1 3.32Å; L388-E390 WeakPolarHBondContact CD2-OE1 3.22Å; E390-Y392 HydrophobicContact CB-CD2 4.47Å; E390-Y392 HydrophobicContact CB-CE2 4.04Å; E390-Y392 HydrophobicContact CG-CE2 4.19Å; E390-R405 IonicContact OE1-CZ 3.36Å; E390-R405 IonicContact OE1-NH1 3.95Å; E390-R405 PolarHBondContact OE1-NH1 3.41Å; E390-R405 IonicContact OE1-NH2 2.77Å; E390-R405 PolarHBondContact OE1-NH2 3Å
391	L	90.5	Very high	82.6	Confident	8 Å²	8	34.1 Å²	34.1	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	127.2	173.5	175.2	72.3	0	0	0	109.7	F28 L52 K379 A380 V381 T406 S407	F28-L391 HydrophobicContact CZ-CD1 4.19Å; L52-L391 HydrophobicContact CD1-CB 4.34Å; L52-L391 HydrophobicContact CD1-CD1 4.01Å; L52-L391 HydrophobicContact CD1-CD2 3.94Å; L52-L391 HydrophobicContact CD1-CG 4.3Å; K379-L391 HydrophobicContact CB-CD1 4.06Å; K379-L391 HydrophobicContact CG-CD1 4.45Å; A380-L391 WeakPolarHBondContact O-CA 3.34Å; V381-L391 HydrophobicContact CG2-CB 4.36Å; V381-L391 HydrophobicContact CG2-CD1 3.42Å; V381-L391 VanDerWaalsContact CG2-CD1 3.42Å; V381-L391 HydrophobicContact CG2-CG 4.47Å; L391-T406 HydrophobicContact CD2-CG2 3.84Å; L391-T406 PolarHBondContact O-N 2.86Å; L391-S407 VanDerWaalsContact CB-OG 3.32Å; L391-S407 WeakPolarHBondContact CB-OG 2.96Å; L391-S407 PolarHBondContact N-O 2.91Å; L391-S407 PolarHBondContact O-N 2.73Å
392	Y	89.6	Confident	81.8	Confident	18 Å²	18	41.8 Å²	41.8	7%	0.071	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	140.1	170.6	-73.2	-102.5	0	0	0	110.2	I359 K360 T361 K379 A380 F382 E390 P403 V404 R405	I359-Y392 HydrophobicContact CG2-CD1 3.61Å; I359-Y392 HydrophobicContact CG2-CD2 4.02Å; I359-Y392 HydrophobicContact CG2-CE1 3.78Å; I359-Y392 HydrophobicContact CG2-CE2 4.21Å; I359-Y392 HydrophobicContact CG2-CG 3.7Å; K360-Y392 PolarHBondContact O-OH 2.9Å; T361-Y392 HydrophobicContact CG2-CE2 4.17Å; K379-Y392 CarbonylContact C-O 3.59Å; K379-Y392 WeakPolarHBondContact CA-O 3.43Å; A380-Y392 PolarHBondContact N-O 3.49Å; A380-Y392 PolarHBondContact O-N 3.27Å; F382-Y392 AromaticContact CD2-CD2 3.6Å; F382-Y392 HydrophobicContact CD2-CD2 3.6Å; F382-Y392 HydrophobicContact CD2-CE2 4.07Å; F382-Y392 AromaticContact CE2-CD2 3.43Å; F382-Y392 HydrophobicContact CE2-CD2 3.43Å; F382-Y392 VanDerWaalsContact CE2-CD2 3.43Å; F382-Y392 HydrophobicContact CE2-CE2 4.12Å; F382-Y392 HydrophobicContact CE2-CG 4.05Å; E390-Y392 HydrophobicContact CB-CD2 4.47Å; E390-Y392 HydrophobicContact CB-CE2 4.04Å; E390-Y392 HydrophobicContact CG-CE2 4.19Å; Y392-P403 HydrophobicContact CD1-CB 4.06Å; Y392-V404 CarbonylContact C-O 3.59Å; Y392-V404 WeakPolarHBondContact CA-O 3.25Å; Y392-R405 HydrophobicContact CD1-CB 4.12Å; Y392-R405 HydrophobicContact CE1-CB 3.85Å; Y392-R405 HydrophobicContact CE1-CG 4.32Å; Y392-R405 HydrophobicContact CE2-CG 4.38Å
393	S	87.5	Confident	81.3	Confident	16 Å²	16	43.9 Å²	43.9	11%	0.112	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	140.2	169	58.3	0	0	0	0	109.9	L378 V404 T406	L378-S393 CarbonylContact O-C 3.53Å; L378-S393 WeakPolarHBondContact O-CA 3.28Å; S393-V404 PolarHBondContact N-O 3.32Å; S393-V404 PolarHBondContact O-N 2.97Å; S393-V404 PolarHBondContact OG-O 3.08Å; S393-T406 PolarHBondContact OG-OG1 2.89Å; S393-T406 VanDerWaalsContact OG-OG1 3.09Å
394	L	85	Confident	81	Confident	4 Å²	4	48 Å²	48	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	132.2	-179.3	-175.4	108.7	0	0	0	108.8	L305 V356 L378 P396 P401 P403	L305-L394 HydrophobicContact CD1-CD2 4Å; V356-L394 HydrophobicContact CG1-CD2 4.21Å; L378-L394 WeakPolarHBondContact CA-O 3.46Å; L378-L394 HydrophobicContact CB-CB 4.45Å; L378-L394 WeakPolarHBondContact CB-O 3.38Å; L378-L394 HydrophobicContact CD2-CD2 4.18Å; L378-L394 PolarHBondContact N-O 2.86Å; L378-L394 PolarHBondContact O-N 3.29Å; L394-P396 VanDerWaalsContact O-CD 3.23Å; L394-P396 WeakPolarHBondContact O-CD 3.44Å; L394-P401 HydrophobicContact CD1-CB 3.76Å; L394-P401 HydrophobicContact CD1-CG 4.17Å; L394-P401 HydrophobicContact CD2-CB 4.19Å; L394-P401 HydrophobicContact CD2-CG 4.3Å; L394-P401 HydrophobicContact CG-CB 3.81Å; L394-P401 HydrophobicContact CG-CG 4.37Å; L394-P403 HydrophobicContact CD1-CB 4.14Å
395	N	80.6	Confident	80.6	Confident	49 Å²	49	52.2 Å²	52.2	26%	0.262	29%	0.292	S	S	.	.			trans	-101.1	99.2	176.5	-70.4	-12.3	0	0	0	109.7	E377 S397 L398 P401	E377-N395 VanDerWaalsContact CA-OD1 3.24Å; E377-N395 WeakPolarHBondContact CA-OD1 3.39Å; E377-N395 WeakPolarHBondContact CB-OD1 3.36Å; E377-N395 WeakPolarHBondContact CG-OD1 3.21Å; E377-N395 PolarHBondContact OE1-ND2 3.16Å; E377-N395 VanDerWaalsContact OE1-ND2 3.09Å; E377-N395 PolarHBondContact OE1-OD1 3.32Å; N395-S397 PolarHBondContact O-N 3.09Å; N395-S397 VanDerWaalsContact O-N 3.13Å; N395-L398 HydrophobicContact CB-CD1 4.19Å; N395-L398 PolarHBondContact O-N 3.13Å; N395-P401 WeakPolarHBondContact O-CB 3.32Å
396	P	70.3	Confident	80.4	Confident	47 Å²	47	52.7 Å²	52.7	31%	0.305	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-11.1	-171.6	29.7	-36.8	0	0	0	113.7	I293 L394 L398	I293-P396 HydrophobicContact CD1-CB 3.79Å; I293-P396 HydrophobicContact CD1-CG 3.96Å; L394-P396 VanDerWaalsContact O-CD 3.23Å; L394-P396 WeakPolarHBondContact O-CD 3.44Å; P396-L398 VanDerWaalsContact C-N 3.32Å
397	S	68.3	Low	80.1	Confident	108 Å²	108	51.9 Å²	51.9	76%	0.755	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-18.4	177	54.9	0	0	0	0	113.8	N395	N395-S397 PolarHBondContact O-N 3.09Å; N395-S397 VanDerWaalsContact O-N 3.13Å
398	L	70.8	Confident	80	Confident	99 Å²	99	56.6 Å²	56.6	52%	0.518	32%	0.315	S	S	.	.	S	Bend	trans	-80.6	141.1	176.9	-71	167.6	0	0	0	110.3	N395 P396 T400 P401	N395-L398 HydrophobicContact CB-CD1 4.19Å; N395-L398 PolarHBondContact O-N 3.13Å; P396-L398 VanDerWaalsContact C-N 3.32Å; L398-T400 VanDerWaalsContact C-N 3.25Å; L398-T400 PolarHBondContact O-N 3.37Å; L398-P401 WeakPolarHBondContact O-CD 3.44Å
399	P	59.4	Low	79.8	Confident	126 Å²	126	56.8 Å²	56.8	82%	0.818	32%	0.316	S	S	*	.	S	Bend	trans	-66.6	-23.1	-176.1	23.3	-32	0	0	0	114.2
400	T	64.2	Low	79.4	Confident	112 Å²	112	59 Å²	59	69%	0.687	33%	0.329	S	S	*	.	S	Bend	trans	-134.6	82.8	170.2	52.7	0	0	0	0	108.5	L398 Q402	L398-T400 VanDerWaalsContact C-N 3.25Å; L398-T400 PolarHBondContact O-N 3.37Å; T400-Q402 PolarHBondContact O-N 3.43Å
401	P	69	Low	78.8	Confident	9 Å²	9	64.2 Å²	64.2	6%	0.058	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-71.2	126.3	-177.5	29.9	-32.2	0	0	0	109.2	V356 T357 L394 N395 L398	V356-P401 HydrophobicContact CG1-CG 3.6Å; T357-P401 WeakPolarHBondContact CB-O 3.45Å; T357-P401 HydrophobicContact CG2-CG 4.42Å; T357-P401 WeakPolarHBondContact CG2-O 3.47Å; T357-P401 PolarHBondContact OG1-O 3.38Å; L394-P401 HydrophobicContact CD1-CB 3.76Å; L394-P401 HydrophobicContact CD1-CG 4.17Å; L394-P401 HydrophobicContact CD2-CB 4.19Å; L394-P401 HydrophobicContact CD2-CG 4.3Å; L394-P401 HydrophobicContact CG-CB 3.81Å; L394-P401 HydrophobicContact CG-CG 4.37Å; N395-P401 WeakPolarHBondContact O-CB 3.32Å; L398-P401 WeakPolarHBondContact O-CD 3.44Å
402	Q	75.3	Confident	78	Confident	162 Å²	162	64.5 Å²	64.5	76%	0.757	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-96	129.7	171.9	-71.7	-173.1	-5.9	0	0	109	T400 V404	T400-Q402 PolarHBondContact O-N 3.43Å; Q402-V404 PolarHBondContact O-N 3.35Å
403	P	80.1	Confident	77.7	Confident	44 Å²	44	63.8 Å²	63.8	29%	0.286	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-71.1	117.6	178.3	28.2	-32.9	0	0	0	109.9	I359 Y392 L394	I359-P403 HydrophobicContact CD1-CB 4.26Å; I359-P403 HydrophobicContact CG1-CB 3.9Å; I359-P403 HydrophobicContact CG1-CG 4.39Å; I359-P403 HydrophobicContact CG2-CB 4.29Å; Y392-P403 HydrophobicContact CD1-CB 4.06Å; L394-P403 HydrophobicContact CD1-CB 4.14Å
404	V	84.5	Confident	77.8	Confident	87 Å²	87	63 Å²	63	53%	0.527	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.8	177.1	179.9	0	0	0	0	108.8	Y392 S393 Q402 T406	Y392-V404 CarbonylContact C-O 3.59Å; Y392-V404 WeakPolarHBondContact CA-O 3.25Å; S393-V404 PolarHBondContact N-O 3.32Å; S393-V404 PolarHBondContact O-N 2.97Å; S393-V404 PolarHBondContact OG-O 3.08Å; Q402-V404 PolarHBondContact O-N 3.35Å; V404-T406 PolarHBondContact O-N 2.87Å
405	R	83.8	Confident	77.9	Confident	90 Å²	90	67.4 Å²	67.4	34%	0.34	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	112	174.4	-174.3	-178.2	175.8	156.1	10.5	109.4	E390 Y392	E390-R405 IonicContact OE1-CZ 3.36Å; E390-R405 IonicContact OE1-NH1 3.95Å; E390-R405 PolarHBondContact OE1-NH1 3.41Å; E390-R405 IonicContact OE1-NH2 2.77Å; E390-R405 PolarHBondContact OE1-NH2 3Å; Y392-R405 HydrophobicContact CD1-CB 4.12Å; Y392-R405 HydrophobicContact CE1-CB 3.85Å; Y392-R405 HydrophobicContact CE1-CG 4.32Å; Y392-R405 HydrophobicContact CE2-CG 4.38Å
406	T	83.4	Confident	78.3	Confident	81 Å²	81	66.2 Å²	66.2	50%	0.497	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-48.1	-175.3	-59.1	0	0	0	0	112.2	L391 S393 V404	L391-T406 HydrophobicContact CD2-CG2 3.84Å; L391-T406 PolarHBondContact O-N 2.86Å; S393-T406 PolarHBondContact OG-OG1 2.89Å; S393-T406 VanDerWaalsContact OG-OG1 3.09Å; V404-T406 PolarHBondContact O-N 2.87Å
407	S	81.6	Confident	79.2	Confident	21 Å²	21	65.1 Å²	65.1	15%	0.147	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	158.3	-177.6	72.2	0	0	0	0	113.4	L52 L391	L52-S407 VanDerWaalsContact O-CB 3.29Å; L52-S407 WeakPolarHBondContact O-CB 3.32Å; L52-S407 PolarHBondContact O-OG 3.45Å; L391-S407 VanDerWaalsContact CB-OG 3.32Å; L391-S407 WeakPolarHBondContact CB-OG 2.96Å; L391-S407 PolarHBondContact N-O 2.91Å; L391-S407 PolarHBondContact O-N 2.73Å
408	R	86.1	Confident	80.3	Confident	103 Å²	103	60 Å²	60	39%	0.389	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	127.4	179	-176.2	-168.8	-166.7	163.9	-1.3	108.9	L388 V389 T410	L388-R408 HydrophobicContact CD1-CG 4.45Å; L388-R408 VanDerWaalsContact CD1-NE 3.32Å; L388-R408 HydrophobicContact CD2-CG 4.2Å; L388-R408 HydrophobicContact CG-CG 4.47Å; V389-R408 WeakPolarHBondContact O-CA 3.3Å; R408-T410 HydrophobicContact CG-CG2 3.62Å
409	I	85.4	Confident	81.3	Confident	6 Å²	6	57.4 Å²	57.4	3%	0.031	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	116.8	172.3	-55	178.3	0	0	0	108.3	I19 W50 L52 V389	I19-I409 HydrophobicContact CD1-CG2 4.03Å; I19-I409 HydrophobicContact CG1-CG2 4.35Å; I19-I409 HydrophobicContact CG2-CB 4.39Å; I19-I409 HydrophobicContact CG2-CG2 3.98Å; W50-I409 HydrophobicContact CB-CD1 3.82Å; W50-I409 HydrophobicContact CD2-CD1 4.13Å; W50-I409 HydrophobicContact CE3-CD1 4.13Å; W50-I409 HydrophobicContact CE3-CG2 4.13Å; W50-I409 HydrophobicContact CG-CD1 4.02Å; W50-I409 HydrophobicContact CH2-CG2 4.45Å; W50-I409 HydrophobicContact CZ3-CG2 4.08Å; L52-I409 HydrophobicContact CD2-CD1 4.09Å; V389-I409 HydrophobicContact CB-CB 4.37Å; V389-I409 HydrophobicContact CB-CD1 4.36Å; V389-I409 HydrophobicContact CG1-CD1 4.43Å; V389-I409 PolarHBondContact O-N 2.93Å
410	T	81.9	Confident	82.8	Confident	48 Å²	48	51.8 Å²	51.8	29%	0.294	27%	0.268	S	S	.	.			trans	-129.1	-26.9	-179.9	53.8	0	0	0	0	114.5	L388 R408 G412 K439	L388-T410 HydrophobicContact CD1-CG2 4.44Å; R408-T410 HydrophobicContact CG-CG2 3.62Å; T410-G412 VanDerWaalsContact C-N 3.25Å; T410-G412 PolarHBondContact O-N 2.93Å; T410-K439 PolarHBondContact O-NZ 3.26Å
411	I	76.8	Confident	84.2	Confident	111 Å²	111	46.9 Å²	46.9	57%	0.569	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-32.3	-167.5	-62.5	164.4	0	0	0	110.3	G413 K439 C448	I411-G413 PolarHBondContact O-N 3.25Å; I411-K439 PolarHBondContact O-NZ 2.87Å; I411-C448 HydrophobicContact CG2-CB 3.94Å; I411-C448 WeakPolarHBondContact O-CB 3.48Å
412	G	75.3	Confident	85.3	Confident	13 Å²	13	47.5 Å²	47.5	13%	0.134	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-6.6	-174.6	0	0	0	0	0	117.8	G17 T410	G17-G412 CarbonylContact C-O 3.58Å; G17-G412 WeakPolarHBondContact CA-O 3.37Å; T410-G412 VanDerWaalsContact C-N 3.25Å; T410-G412 PolarHBondContact O-N 2.93Å
413	G	83.4	Confident	86.1	Confident	4 Å²	4	40.6 Å²	40.6	4%	0.041	21%	0.21	C	C	.	.			trans	-164.7	163.5	-176.7	0	0	0	0	0	117.6	G17 I411 K439	G17-G413 WeakPolarHBondContact O-CA 3.13Å; I411-G413 PolarHBondContact O-N 3.25Å; G413-K439 WeakPolarHBondContact O-CE 3.45Å; G413-K439 PolarHBondContact O-NZ 3.39Å
414	H	88.9	Confident	86.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.197	C	C	.	.			trans	-80.7	153.9	169.9	-74.8	-83.6	0	0	0	111	N387 S416 V418 S432 A434 S437	N387-H414 WeakPolarHBondContact CB-O 3.36Å; N387-H414 PolarHBondContact ND2-O 2.89Å; H414-S416 WeakPolarHBondContact CB-O 3.33Å; H414-V418 HydrophobicContact CB-CG2 3.95Å; H414-V418 WeakPolarHBondContact CD2-CG2 3.24Å; H414-S432 PolarHBondContact CE1-O 2.65Å; H414-S432 WeakPolarHBondContact NE2-CB 3.49Å; H414-S432 PolarHBondContact NE2-OG 3.19Å; H414-A434 HydrophobicContact CB-CB 4.06Å; H414-A434 VanDerWaalsContact ND1-CB 3.34Å; H414-A434 WeakPolarHBondContact ND1-CB 3.43Å; H414-S437 PolarHBondContact CE1-O 2.98Å; H414-S437 PolarHBondContact ND1-O 2.78Å; H414-S437 PolarHBondContact ND1-OG 2.9Å
415	R	87.4	Confident	86.8	Confident	96 Å²	96	37.6 Å²	37.6	36%	0.362	19%	0.194	S	C	.	.	S	Bend	trans	-89.2	-41.2	-177.4	-68	154.8	176.9	179.8	6.8	112.2	N386 D436 K697	N386-R415 HydrophobicContact CB-CB 4.4Å; N386-R415 WeakPolarHBondContact O-CA 3.43Å; R415-D436 WeakPolarHBondContact CD-OD2 3.48Å; R415-D436 IonicContact CZ-OD2 2.69Å; R415-D436 IonicContact NE-OD2 2.88Å; R415-D436 IonicContact NH1-OD2 2.68Å; R415-D436 PolarHBondContact NH1-OD2 2.78Å; R415-K697 WeakPolarHBondContact O-CE 3.06Å; R415-K697 PolarHBondContact O-NZ 2.8Å
416	S	88.4	Confident	87	Confident	23 Å²	23	38.8 Å²	38.8	16%	0.161	21%	0.207	C	C	.	.	S	Bend	trans	-97.8	173.4	169.3	46.4	0	0	0	0	110.7	H414 A434 A435	H414-S416 WeakPolarHBondContact CB-O 3.33Å; S416-A434 WeakPolarHBondContact OG-CB 3.32Å; S416-A435 WeakPolarHBondContact OG-CB 3.47Å; S416-A435 PolarHBondContact OG-N 2.73Å; S416-A435 VanDerWaalsContact OG-N 3.08Å
417	D	89.2	Confident	87.2	Confident	25 Å²	25	36.1 Å²	36.1	13%	0.134	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-58.9	139.7	169.4	54.1	-36.1	0	0	0	111.6	R419 A434 H695	D417-R419 PolarHBondContact O-N 2.87Å; D417-R419 IonicContact OD2-NH1 3.85Å; D417-A434 WeakPolarHBondContact O-CB 3.42Å; D417-H695 IonicContact OD2-ND1 3.54Å
418	V	91.9	Very high	87.6	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	117	178.4	177.7	0	0	0	0	108.3	H414 T420 L421 S693 L699	H414-V418 HydrophobicContact CB-CG2 3.95Å; H414-V418 WeakPolarHBondContact CD2-CG2 3.24Å; V418-T420 WeakPolarHBondContact CG1-O 3.32Å; V418-L421 HydrophobicContact CG1-CD2 4.28Å; V418-L421 HydrophobicContact CG1-CG 4.36Å; V418-S693 PolarHBondContact O-OG 2.92Å; V418-L699 HydrophobicContact CB-CD2 4.4Å; V418-L699 HydrophobicContact CG1-CD2 4.22Å; V418-L699 HydrophobicContact CG2-CD2 4.28Å
419	R	91.6	Very high	87.9	Confident	44 Å²	44	35.3 Å²	35.3	17%	0.166	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-25.1	-176.2	-64.6	-58.4	-57.1	-176.8	4.9	113	D417 A433 Y456 A457 W679	D417-R419 PolarHBondContact O-N 2.87Å; D417-R419 IonicContact OD2-NH1 3.85Å; R419-A433 PolarHBondContact N-O 3.02Å; R419-Y456 HydrophobicContact CG-CE1 4.19Å; R419-A457 WeakPolarHBondContact CB-O 3.48Å; R419-W679 VanDerWaalsContact NH1-CE2 3.28Å; R419-W679 VanDerWaalsContact NH1-CH2 3.27Å; R419-W679 VanDerWaalsContact NH2-CE3 3.31Å; R419-W679 VanDerWaalsContact NH2-CZ3 3.32Å
420	T	91.6	Very high	88.2	Confident	8 Å²	8	35 Å²	35	5%	0.049	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	145.4	-170.4	73.2	0	0	0	0	111.6	V418 S432 A433 L458 C459 S460 C680	V418-T420 WeakPolarHBondContact CG1-O 3.32Å; T420-S432 WeakPolarHBondContact O-CA 2.95Å; T420-A433 PolarHBondContact N-O 3.2Å; T420-A433 PolarHBondContact O-N 2.75Å; T420-A433 WeakPolarHBondContact OG1-CB 3.4Å; T420-L458 WeakPolarHBondContact CG2-O 3.46Å; T420-C459 VanDerWaalsContact CG2-N 3.31Å; T420-S460 WeakPolarHBondContact CB-OG 3.33Å; T420-S460 WeakPolarHBondContact OG1-CB 3.22Å; T420-S460 PolarHBondContact OG1-OG 2.87Å; T420-C680 WeakPolarHBondContact CA-SG 3.43Å; T420-C680 PolarHBondContact N-SG 3.35Å
421	L	93.5	Very high	88.7	Confident	10 Å²	10	32.8 Å²	32.8	5%	0.052	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	144.3	175.7	-74.5	169.6	0	0	0	109.7	V418 V430 L431 C680 A682 V691 L699	V418-L421 HydrophobicContact CG1-CD2 4.28Å; V418-L421 HydrophobicContact CG1-CG 4.36Å; L421-V430 HydrophobicContact CD2-CG1 4.21Å; L421-L431 VanDerWaalsContact CA-O 3.3Å; L421-L431 WeakPolarHBondContact CA-O 3.48Å; L421-C680 WeakPolarHBondContact CG-SG 3.44Å; L421-C680 PolarHBondContact N-SG 2.77Å; L421-A682 HydrophobicContact CB-CB 3.86Å; L421-V691 HydrophobicContact CD1-CB 4.5Å; L421-V691 HydrophobicContact CD1-CG1 3.8Å; L421-V691 HydrophobicContact CD2-CG1 4.13Å; L421-L699 HydrophobicContact CD1-CD2 4.24Å; L421-L699 HydrophobicContact CD2-CD2 3.8Å; L421-L699 HydrophobicContact CG-CD2 4.47Å
422	S	91.8	Very high	89.5	Confident	22 Å²	22	27.5 Å²	27.5	15%	0.154	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	145.7	172.9	-170.4	0	0	0	0	110.1	L431 F462	S422-L431 PolarHBondContact N-O 2.7Å; S422-L431 PolarHBondContact O-N 3.49Å; S422-F462 WeakPolarHBondContact O-CE2 3.22Å
423	F	92.7	Very high	90.4	Very high	16 Å²	16	26.9 Å²	26.9	7%	0.07	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	142.5	172	-89.1	-77.3	0	0	0	110.4	V430 F462 A682 V683 V691 L701	F423-V430 HydrophobicContact CD1-CG2 3.86Å; F423-V430 HydrophobicContact CE1-CG2 3.58Å; F423-V430 HydrophobicContact CZ-CG2 4.29Å; F423-F462 VanDerWaalsContact C-CD2 3.42Å; F423-F462 WeakPolarHBondContact O-CD2 3.26Å; F423-A682 HydrophobicContact CD2-CB 3.82Å; F423-A682 HydrophobicContact CE2-CB 4.2Å; F423-A682 VanDerWaalsContact CE2-O 3.29Å; F423-A682 WeakPolarHBondContact CE2-O 3.37Å; F423-V683 VanDerWaalsContact CD2-C 3.5Å; F423-V691 HydrophobicContact CE1-CG2 4.14Å; F423-V691 HydrophobicContact CE2-CB 4.15Å; F423-V691 HydrophobicContact CE2-CG2 3.88Å; F423-V691 HydrophobicContact CZ-CB 4.17Å; F423-V691 HydrophobicContact CZ-CG2 3.4Å; F423-L701 HydrophobicContact CZ-CD1 4.49Å
424	S	91.9	Very high	90.7	Very high	4 Å²	4	26.7 Å²	26.7	3%	0.028	14%	0.142	C	C	.	.			trans	-62.3	149.6	165.6	63.9	0	0	0	0	110.2	D426 N427 I428 A429 D466	S424-D426 PolarHBondContact O-N 2.77Å; S424-N427 PolarHBondContact O-N 2.91Å; S424-N427 PolarHBondContact OG-N 3.18Å; S424-I428 PolarHBondContact OG-N 2.86Å; S424-A429 WeakPolarHBondContact CB-O 3.29Å; S424-A429 PolarHBondContact N-O 3.27Å; S424-A429 PolarHBondContact OG-N 2.76Å; S424-A429 PolarHBondContact OG-O 2.82Å; S424-D466 WeakPolarHBondContact CB-OD2 3.42Å
425	S	87.4	Confident	90.7	Very high	65 Å²	65	27.7 Å²	27.7	46%	0.455	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-32	174.8	65.9	0	0	0	0	113.4	N427 D466	S425-N427 VanDerWaalsContact C-N 3.3Å; S425-N427 PolarHBondContact O-N 3.06Å; S425-D466 WeakPolarHBondContact CB-OD2 3.11Å; S425-D466 VanDerWaalsContact N-CG 3.35Å; S425-D466 PolarHBondContact N-OD1 3.22Å; S425-D466 PolarHBondContact N-OD2 3.48Å; S425-D466 PolarHBondContact OG-OD1 2.84Å; S425-D466 PolarHBondContact OG-OD2 3.17Å
426	D	87.1	Confident	90.7	Very high	114 Å²	114	25.4 Å²	25.4	61%	0.61	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	1.8	178	-69.4	-19	0	0	0	114.6	S424 I428 D466	S424-D426 PolarHBondContact O-N 2.77Å; D426-I428 HydrophobicContact CB-CD1 4.13Å; D426-I428 HydrophobicContact CB-CG1 4.29Å; D426-I428 PolarHBondContact O-N 3.33Å; D426-I428 VanDerWaalsContact O-N 3.11Å; D426-D466 PolarHBondContact N-OD2 3.25Å
427	N	87.6	Confident	90.8	Very high	26 Å²	26	24.6 Å²	24.6	14%	0.139	14%	0.14	C	C	.	.	S	Bend	trans	57.9	12.9	-172.6	-62.7	-27.7	0	0	0	115.5	S424 S425 R443 P685 S686	S424-N427 PolarHBondContact O-N 2.91Å; S424-N427 PolarHBondContact OG-N 3.18Å; S425-N427 VanDerWaalsContact C-N 3.3Å; S425-N427 PolarHBondContact O-N 3.06Å; N427-R443 WeakPolarHBondContact O-CD 3.47Å; N427-R443 WeakPolarHBondContact O-CG 3.33Å; N427-R443 PolarHBondContact O-NE 3.31Å; N427-P685 WeakPolarHBondContact OD1-CD 3.37Å; N427-S686 WeakPolarHBondContact ND2-CB 3.43Å; N427-S686 PolarHBondContact ND2-OG 3.48Å
428	I	89.8	Confident	90.9	Very high	90 Å²	90	23.6 Å²	23.6	46%	0.462	13%	0.134	S	C	.	.	S	Bend	trans	-89.3	-38	-176.9	-63.6	167.5	0	0	0	111.5	S424 D426 R443	S424-I428 PolarHBondContact OG-N 2.86Å; D426-I428 HydrophobicContact CB-CD1 4.13Å; D426-I428 HydrophobicContact CB-CG1 4.29Å; D426-I428 PolarHBondContact O-N 3.33Å; D426-I428 VanDerWaalsContact O-N 3.11Å; I428-R443 WeakPolarHBondContact O-CG 3.08Å; I428-R443 PolarHBondContact O-N 3.28Å
429	A	91.8	Very high	90.9	Very high	16 Å²	16	23.9 Å²	23.9	13%	0.132	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	144.5	-174.8	0	0	0	0	0	111.6	S424 I440 W441 F462	S424-A429 WeakPolarHBondContact CB-O 3.29Å; S424-A429 PolarHBondContact N-O 3.27Å; S424-A429 PolarHBondContact OG-N 2.76Å; S424-A429 PolarHBondContact OG-O 2.82Å; A429-I440 HydrophobicContact CB-CG2 3.94Å; A429-W441 CarbonylContact C-O 3.52Å; A429-W441 VanDerWaalsContact CA-O 3.27Å; A429-W441 WeakPolarHBondContact CA-O 3.42Å; A429-F462 HydrophobicContact CB-CZ 4.31Å
430	V	92.8	Very high	91	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.4	171.5	179.9	0	0	0	0	107.4	L421 F423 I440 W441 V691	L421-V430 HydrophobicContact CD2-CG1 4.21Å; F423-V430 HydrophobicContact CD1-CG2 3.86Å; F423-V430 HydrophobicContact CE1-CG2 3.58Å; F423-V430 HydrophobicContact CZ-CG2 4.29Å; V430-I440 CarbonylContact O-C 3.6Å; V430-I440 WeakPolarHBondContact O-CA 3.43Å; V430-W441 HydrophobicContact CB-CB 4.37Å; V430-W441 PolarHBondContact N-O 3.25Å; V430-W441 PolarHBondContact O-N 3.01Å; V430-V691 HydrophobicContact CG1-CB 4.5Å; V430-V691 HydrophobicContact CG1-CG1 4.19Å; V430-V691 HydrophobicContact CG1-CG2 4.31Å; V430-V691 HydrophobicContact CG2-CG2 4.09Å
431	L	92.9	Very high	91	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	133.3	171.3	-174.7	125.4	0	0	0	109.7	L421 S422 I438 I440 S460 F462 V469	L421-L431 VanDerWaalsContact CA-O 3.3Å; L421-L431 WeakPolarHBondContact CA-O 3.48Å; S422-L431 PolarHBondContact N-O 2.7Å; S422-L431 PolarHBondContact O-N 3.49Å; L431-I438 HydrophobicContact CD1-CG2 3.8Å; L431-I438 HydrophobicContact CD2-CG2 4.29Å; L431-I438 HydrophobicContact CG-CG2 3.94Å; L431-I440 HydrophobicContact CD1-CG1 4.15Å; L431-S460 WeakPolarHBondContact CD2-OG 3.4Å; L431-F462 HydrophobicContact CB-CD2 4.18Å; L431-F462 HydrophobicContact CB-CE1 4.38Å; L431-F462 HydrophobicContact CB-CE2 3.35Å; L431-F462 HydrophobicContact CB-CZ 3.49Å; L431-F462 VanDerWaalsContact CB-CZ 3.49Å; L431-F462 HydrophobicContact CD1-CE1 4.28Å; L431-F462 HydrophobicContact CD1-CZ 4.16Å; L431-F462 HydrophobicContact CG-CZ 4.49Å; L431-V469 HydrophobicContact CD1-CB 3.95Å; L431-V469 HydrophobicContact CD1-CG1 3.35Å; L431-V469 HydrophobicContact CD1-CG2 3.37Å; L431-V469 HydrophobicContact CD2-CG1 4.28Å; L431-V469 HydrophobicContact CG-CG1 4.46Å
432	S	93.5	Very high	91	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.7	169.1	58.1	0	0	0	0	109.8	H414 T420 I438 K439 W441	H414-S432 PolarHBondContact CE1-O 2.65Å; H414-S432 WeakPolarHBondContact NE2-CB 3.49Å; H414-S432 PolarHBondContact NE2-OG 3.19Å; T420-S432 WeakPolarHBondContact O-CA 2.95Å; S432-I438 CarbonylContact O-C 3.55Å; S432-I438 WeakPolarHBondContact O-CA 3.35Å; S432-K439 PolarHBondContact N-O 2.99Å; S432-K439 PolarHBondContact O-N 3.45Å; S432-K439 PolarHBondContact OG-O 3.14Å; S432-W441 PolarHBondContact OG-NE1 2.97Å
433	A	92.6	Very high	90.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.2	173.8	0	0	0	0	0	110.8	R419 T420 I438 A457	R419-A433 PolarHBondContact N-O 3.02Å; T420-A433 PolarHBondContact N-O 3.2Å; T420-A433 PolarHBondContact O-N 2.75Å; T420-A433 WeakPolarHBondContact OG1-CB 3.4Å; A433-I438 HydrophobicContact CB-CG1 4.05Å; A433-I438 HydrophobicContact CB-CG2 4.43Å; A433-A457 HydrophobicContact CB-CB 3.66Å
434	A	91.3	Very high	90.7	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	-178.2	175.1	0	0	0	0	0	109.8	H414 S416 D417 D436 S437	H414-A434 HydrophobicContact CB-CB 4.06Å; H414-A434 VanDerWaalsContact ND1-CB 3.34Å; H414-A434 WeakPolarHBondContact ND1-CB 3.43Å; S416-A434 WeakPolarHBondContact OG-CB 3.32Å; D417-A434 WeakPolarHBondContact O-CB 3.42Å; A434-D436 PolarHBondContact O-N 3.25Å; A434-D436 VanDerWaalsContact O-N 3.17Å; A434-S437 PolarHBondContact N-O 3.14Å
435	A	88.4	Confident	90.5	Very high	22 Å²	22	32.5 Å²	32.5	18%	0.182	19%	0.188	C	C	.	.	S	Bend	trans	-59.6	-27	-176.9	0	0	0	0	0	115.4	S416 E455 Y456	S416-A435 WeakPolarHBondContact OG-CB 3.47Å; S416-A435 PolarHBondContact OG-N 2.73Å; S416-A435 VanDerWaalsContact OG-N 3.08Å; A435-E455 CarbonylContact O-C 3.55Å; A435-Y456 HydrophobicContact CB-CD2 3.35Å; A435-Y456 HydrophobicContact CB-CE2 3.48Å; A435-Y456 VanDerWaalsContact CB-CE2 3.48Å; A435-Y456 HydrophobicContact CB-CG 4.03Å; A435-Y456 WeakPolarHBondContact O-CA 3.49Å; A435-Y456 PolarHBondContact O-N 3.27Å
436	D	86.1	Confident	90.4	Very high	47 Å²	47	31 Å²	31	25%	0.251	17%	0.174	S	C	.	.	S	Bend	trans	-124.5	-12.6	-173.8	76.3	-26.2	0	0	0	113.9	R415 A434 C454	R415-D436 WeakPolarHBondContact CD-OD2 3.48Å; R415-D436 IonicContact CZ-OD2 2.69Å; R415-D436 IonicContact NE-OD2 2.88Å; R415-D436 IonicContact NH1-OD2 2.68Å; R415-D436 PolarHBondContact NH1-OD2 2.78Å; A434-D436 PolarHBondContact O-N 3.25Å; A434-D436 VanDerWaalsContact O-N 3.17Å; D436-C454 CarbonylContact C-O 3.59Å; D436-C454 PolarHBondContact O-N 2.87Å
437	S	90.9	Very high	90.4	Very high	7 Å²	7	31.2 Å²	31.2	5%	0.049	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	144.1	-168.1	53.7	0	0	0	0	113	H414 A434 M452 C454	H414-S437 PolarHBondContact CE1-O 2.98Å; H414-S437 PolarHBondContact ND1-O 2.78Å; H414-S437 PolarHBondContact ND1-OG 2.9Å; A434-S437 PolarHBondContact N-O 3.14Å; S437-M452 CarbonylContact C-O 3.53Å; S437-M452 WeakPolarHBondContact CA-O 3.25Å; S437-C454 PolarHBondContact N-SG 2.85Å
438	I	91.7	Very high	90.5	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.015	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.5	169.6	-50	134	0	0	0	107.2	L431 S432 A433 T451 M452 C454 I471 Y481	L431-I438 HydrophobicContact CD1-CG2 3.8Å; L431-I438 HydrophobicContact CD2-CG2 4.29Å; L431-I438 HydrophobicContact CG-CG2 3.94Å; S432-I438 CarbonylContact O-C 3.55Å; S432-I438 WeakPolarHBondContact O-CA 3.35Å; A433-I438 HydrophobicContact CB-CG1 4.05Å; A433-I438 HydrophobicContact CB-CG2 4.43Å; I438-T451 CarbonylContact O-C 3.57Å; I438-T451 WeakPolarHBondContact O-CA 3.42Å; I438-M452 HydrophobicContact CB-CB 4.11Å; I438-M452 HydrophobicContact CD1-CB 3.91Å; I438-M452 PolarHBondContact N-O 3.31Å; I438-M452 PolarHBondContact O-N 3.37Å; I438-C454 HydrophobicContact CD1-CB 3.55Å; I438-C454 HydrophobicContact CG1-CB 4.04Å; I438-I471 HydrophobicContact CB-CD1 4.35Å; I438-I471 HydrophobicContact CD1-CD1 2.98Å; I438-I471 HydrophobicContact CD1-CG1 4.47Å; I438-I471 HydrophobicContact CG1-CD1 3.26Å; I438-I471 HydrophobicContact CG2-CD1 4.26Å; I438-Y481 HydrophobicContact CD1-CD2 3.88Å; I438-Y481 HydrophobicContact CD1-CE1 4.48Å; I438-Y481 HydrophobicContact CD1-CE2 3.51Å
439	K	92.4	Very high	90.5	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	146	175.6	-67.6	-172.6	165.5	-160.4	0	110.2	T410 I411 G413 S432 W441 R450 T451	T410-K439 PolarHBondContact O-NZ 3.26Å; I411-K439 PolarHBondContact O-NZ 2.87Å; G413-K439 WeakPolarHBondContact O-CE 3.45Å; G413-K439 PolarHBondContact O-NZ 3.39Å; S432-K439 PolarHBondContact N-O 2.99Å; S432-K439 PolarHBondContact O-N 3.45Å; S432-K439 PolarHBondContact OG-O 3.14Å; K439-W441 HydrophobicContact CB-CZ2 3.94Å; K439-W441 HydrophobicContact CD-CH2 4.18Å; K439-W441 HydrophobicContact CD-CZ2 3.66Å; K439-W441 HydrophobicContact CG-CZ2 4.45Å; K439-R450 WeakPolarHBondContact CA-O 3.33Å; K439-T451 WeakPolarHBondContact CE-OG1 3.28Å; K439-T451 HydrophobicContact CG-CG2 4.08Å
440	I	93.1	Very high	90.3	Very high	8 Å²	8	36 Å²	36	4%	0.041	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	125	176.3	-59.8	169.4	0	0	0	106.9	A429 V430 L431 C448 I449 R450 L483	A429-I440 HydrophobicContact CB-CG2 3.94Å; V430-I440 CarbonylContact O-C 3.6Å; V430-I440 WeakPolarHBondContact O-CA 3.43Å; L431-I440 HydrophobicContact CD1-CG1 4.15Å; I440-C448 CarbonylContact O-C 3.58Å; I440-C448 WeakPolarHBondContact O-CA 3.4Å; I440-I449 HydrophobicContact CG2-CD1 4.24Å; I440-I449 PolarHBondContact O-N 3.5Å; I440-R450 HydrophobicContact CD1-CB 4.38Å; I440-R450 PolarHBondContact N-O 2.97Å; I440-L483 HydrophobicContact CD1-CD1 4.07Å; I440-L483 HydrophobicContact CD1-CD2 3.12Å; I440-L483 HydrophobicContact CD1-CG 4.07Å; I440-L483 HydrophobicContact CG1-CD2 4.49Å
441	W	92.4	Very high	90.2	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.9	-176.4	-51.2	86.2	0	0	0	108.7	F16 A429 V430 S432 K439 Q447 C448 L699	F16-W441 AromaticContact CD2-CD2 3.76Å; F16-W441 HydrophobicContact CD2-CD2 3.76Å; F16-W441 AromaticContact CD2-CE3 3.66Å; F16-W441 HydrophobicContact CD2-CE3 3.66Å; F16-W441 HydrophobicContact CD2-CG 4.14Å; F16-W441 HydrophobicContact CD2-CZ3 4.13Å; F16-W441 HydrophobicContact CE2-CB 3.94Å; F16-W441 AromaticContact CE2-CD2 3.75Å; F16-W441 HydrophobicContact CE2-CD2 3.75Å; F16-W441 HydrophobicContact CE2-CE3 4.12Å; F16-W441 AromaticContact CE2-CG 3.64Å; F16-W441 HydrophobicContact CE2-CG 3.64Å; A429-W441 CarbonylContact C-O 3.52Å; A429-W441 VanDerWaalsContact CA-O 3.27Å; A429-W441 WeakPolarHBondContact CA-O 3.42Å; V430-W441 HydrophobicContact CB-CB 4.37Å; V430-W441 PolarHBondContact N-O 3.25Å; V430-W441 PolarHBondContact O-N 3.01Å; S432-W441 PolarHBondContact OG-NE1 2.97Å; K439-W441 HydrophobicContact CB-CZ2 3.94Å; K439-W441 HydrophobicContact CD-CH2 4.18Å; K439-W441 HydrophobicContact CD-CZ2 3.66Å; K439-W441 HydrophobicContact CG-CZ2 4.45Å; W441-Q447 WeakPolarHBondContact CA-O 3.39Å; W441-C448 HydrophobicContact CD2-CB 4.37Å; W441-C448 HydrophobicContact CE3-CB 3.87Å; W441-C448 HydrophobicContact CH2-CB 4.12Å; W441-C448 HydrophobicContact CZ3-CB 3.74Å; W441-L699 HydrophobicContact CZ2-CD1 4.24Å
442	N	92.3	Very high	90.1	Very high	39 Å²	39	40.3 Å²	40.3	21%	0.209	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	127.8	163	-175.9	-19.9	0	0	0	107.7	S444 T445 L446 Q447 I449	N442-S444 VanDerWaalsContact C-N 3.28Å; N442-S444 PolarHBondContact O-N 3.14Å; N442-S444 PolarHBondContact OD1-N 3.49Å; N442-T445 WeakPolarHBondContact CB-OG1 3.26Å; N442-L446 WeakPolarHBondContact O-CA 3.35Å; N442-L446 PolarHBondContact O-N 2.73Å; N442-Q447 PolarHBondContact N-O 2.94Å; N442-I449 HydrophobicContact CB-CD1 3.88Å; N442-I449 HydrophobicContact CB-CG1 4.05Å
443	R	88.8	Confident	89.9	Confident	71 Å²	71	46 Å²	46	27%	0.268	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-33.9	179.8	70.4	155.6	176.7	111.7	6.1	113.2	N427 I428 L446 Y689	N427-R443 WeakPolarHBondContact O-CD 3.47Å; N427-R443 WeakPolarHBondContact O-CG 3.33Å; N427-R443 PolarHBondContact O-NE 3.31Å; I428-R443 WeakPolarHBondContact O-CG 3.08Å; I428-R443 PolarHBondContact O-N 3.28Å; R443-L446 WeakPolarHBondContact O-CD2 3.47Å; R443-Y689 PolarHBondContact NH1-OH 2.97Å
444	S	89.1	Confident	89.6	Confident	85 Å²	85	46.8 Å²	46.8	59%	0.594	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-38	-171.4	-61.9	0	0	0	0	111.9	N442	N442-S444 VanDerWaalsContact C-N 3.28Å; N442-S444 PolarHBondContact O-N 3.14Å; N442-S444 PolarHBondContact OD1-N 3.49Å
445	T	88.1	Confident	89.4	Confident	79 Å²	79	50.1 Å²	50.1	49%	0.485	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-15.1	179.2	66	0	0	0	0	112.9	N442 Q447	N442-T445 WeakPolarHBondContact CB-OG1 3.26Å; T445-Q447 PolarHBondContact O-N 2.86Å
446	L	85.9	Confident	89.5	Confident	34 Å²	34	52.9 Å²	52.9	18%	0.178	27%	0.274	C	S	.	.			trans	56.6	21.5	-176.7	-51.2	167.4	0	0	0	113.1	A14 F16 N442 R443 L701	A14-L446 HydrophobicContact CB-CD1 3.27Å; A14-L446 HydrophobicContact CB-CD2 4.31Å; A14-L446 HydrophobicContact CB-CG 4.42Å; F16-L446 HydrophobicContact CB-CB 4.24Å; F16-L446 HydrophobicContact CD1-CD2 3.76Å; F16-L446 HydrophobicContact CE1-CD2 3.91Å; F16-L446 HydrophobicContact CG-CB 4.34Å; F16-L446 HydrophobicContact CG-CD2 4.29Å; N442-L446 WeakPolarHBondContact O-CA 3.35Å; N442-L446 PolarHBondContact O-N 2.73Å; R443-L446 WeakPolarHBondContact O-CD2 3.47Å; L446-L701 HydrophobicContact CD2-CD2 4.46Å
447	Q	87.5	Confident	89.8	Confident	117 Å²	117	50.6 Å²	50.6	55%	0.547	26%	0.263	S	S	.	.			trans	-96.2	143.9	176.5	-67.9	-171	-10.4	0	0	110.1	W441 N442 T445 I449	W441-Q447 WeakPolarHBondContact CA-O 3.39Å; N442-Q447 PolarHBondContact N-O 2.94Å; T445-Q447 PolarHBondContact O-N 2.86Å; Q447-I449 PolarHBondContact O-N 2.8Å
448	C	89.6	Confident	89.8	Confident	19 Å²	19	51.1 Å²	51.1	13%	0.128	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	118.3	172.4	-179.6	0	0	0	0	109.1	I411 I440 W441 R450 T451	I411-C448 HydrophobicContact CG2-CB 3.94Å; I411-C448 WeakPolarHBondContact O-CB 3.48Å; I440-C448 CarbonylContact O-C 3.58Å; I440-C448 WeakPolarHBondContact O-CA 3.4Å; W441-C448 HydrophobicContact CD2-CB 4.37Å; W441-C448 HydrophobicContact CE3-CB 3.87Å; W441-C448 HydrophobicContact CH2-CB 4.12Å; W441-C448 HydrophobicContact CZ3-CB 3.74Å; C448-R450 PolarHBondContact SG-O 2.91Å; C448-T451 PolarHBondContact SG-OG1 2.89Å
449	I	89.3	Confident	89.7	Confident	95 Å²	95	51.5 Å²	51.5	49%	0.487	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-47.2	177.4	-47.7	176.1	0	0	0	109.6	I440 N442 Q447	I440-I449 HydrophobicContact CG2-CD1 4.24Å; I440-I449 PolarHBondContact O-N 3.5Å; N442-I449 HydrophobicContact CB-CD1 3.88Å; N442-I449 HydrophobicContact CB-CG1 4.05Å; Q447-I449 PolarHBondContact O-N 2.8Å
450	R	88.3	Confident	89.7	Confident	120 Å²	120	51.9 Å²	51.9	45%	0.453	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	143.6	-175.1	-68.7	-61.4	-165.9	-172.4	5.5	110.8	K439 I440 C448 A484	K439-R450 WeakPolarHBondContact CA-O 3.33Å; I440-R450 HydrophobicContact CD1-CB 4.38Å; I440-R450 PolarHBondContact N-O 2.97Å; C448-R450 PolarHBondContact SG-O 2.91Å; R450-A484 PolarHBondContact NH2-O 3.13Å
451	T	90.9	Very high	89.6	Confident	72 Å²	72	52.3 Å²	52.3	44%	0.442	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.5	171.6	-58.9	0	0	0	0	108.5	I438 K439 C448	I438-T451 CarbonylContact O-C 3.57Å; I438-T451 WeakPolarHBondContact O-CA 3.42Å; K439-T451 WeakPolarHBondContact CE-OG1 3.28Å; K439-T451 HydrophobicContact CG-CG2 4.08Å; C448-T451 PolarHBondContact SG-OG1 2.89Å
452	M	90.2	Very high	89.6	Confident	19 Å²	19	52.7 Å²	52.7	9%	0.094	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	147.1	-178.7	-53.4	-63.5	-69.1	0	0	109.1	S437 I438 Y481 G486	S437-M452 CarbonylContact C-O 3.53Å; S437-M452 WeakPolarHBondContact CA-O 3.25Å; I438-M452 HydrophobicContact CB-CB 4.11Å; I438-M452 HydrophobicContact CD1-CB 3.91Å; I438-M452 PolarHBondContact N-O 3.31Å; I438-M452 PolarHBondContact O-N 3.37Å; M452-Y481 HydrophobicContact CB-CE1 4.45Å; M452-Y481 HydrophobicContact CE-CD1 3.28Å; M452-Y481 HydrophobicContact CE-CE1 3.86Å; M452-Y481 HydrophobicContact CE-CG 4.13Å; M452-G486 VanDerWaalsContact CE-CA 3.42Å; M452-G486 WeakPolarHBondContact CE-O 3.21Å; M452-G486 WeakPolarHBondContact SD-CA 3.13Å
453	T	89.3	Confident	89.4	Confident	118 Å²	118	51.3 Å²	51.3	72%	0.724	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.3	174.9	53	0	0	0	0	109.8	Y481	T453-Y481 PolarHBondContact O-OH 2.81Å
454	C	86.1	Confident	89.1	Confident	18 Å²	18	49.7 Å²	49.7	12%	0.122	27%	0.266	C	S	.	.			trans	-134.8	166.2	177.6	64.3	0	0	0	0	111.8	D436 S437 I438	D436-C454 CarbonylContact C-O 3.59Å; D436-C454 PolarHBondContact O-N 2.87Å; S437-C454 PolarHBondContact N-SG 2.85Å; I438-C454 HydrophobicContact CD1-CB 3.55Å; I438-C454 HydrophobicContact CG1-CB 4.04Å
455	E	86.3	Confident	88.8	Confident	70 Å²	70	48.6 Å²	48.6	33%	0.327	27%	0.268	S	S	.	.	S	Bend	trans	-72.3	175.8	161.2	-64.9	-177	-169	0	0	109.7	A435 A457 T473 T475 K477	A435-E455 CarbonylContact O-C 3.55Å; E455-A457 PolarHBondContact O-N 3.45Å; E455-T473 HydrophobicContact CB-CG2 3.92Å; E455-T475 PolarHBondContact OE2-OG1 2.83Å; E455-K477 IonicContact OE1-NZ 2.88Å
456	Y	91	Very high	88.6	Confident	79 Å²	79	46.1 Å²	46.1	31%	0.31	25%	0.252	S	S	.	.			trans	-55.6	102	-176.3	-165.4	-69.9	0	0	0	111.9	R419 A435 L458 T473 K474	R419-Y456 HydrophobicContact CG-CE1 4.19Å; A435-Y456 HydrophobicContact CB-CD2 3.35Å; A435-Y456 HydrophobicContact CB-CE2 3.48Å; A435-Y456 VanDerWaalsContact CB-CE2 3.48Å; A435-Y456 HydrophobicContact CB-CG 4.03Å; A435-Y456 WeakPolarHBondContact O-CA 3.49Å; A435-Y456 PolarHBondContact O-N 3.27Å; Y456-L458 HydrophobicContact CD1-CD2 4.09Å; Y456-L458 HydrophobicContact CD1-CG 4.23Å; Y456-L458 HydrophobicContact CE1-CD2 3.69Å; Y456-L458 HydrophobicContact CE1-CG 4.34Å; Y456-T473 CarbonylContact O-C 3.57Å; Y456-T473 WeakPolarHBondContact O-CA 3.46Å; Y456-K474 HydrophobicContact CD1-CB 3.82Å; Y456-K474 HydrophobicContact CD1-CD 4.15Å; Y456-K474 HydrophobicContact CE1-CD 4.46Å; Y456-K474 HydrophobicContact CG-CB 4.16Å; Y456-K474 HydrophobicContact CG-CD 4.35Å; Y456-K474 PolarHBondContact O-N 3.46Å
457	A	91.6	Very high	88.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	132.4	-177.3	0	0	0	0	0	111.3	R419 A433 E455 I471	R419-A457 WeakPolarHBondContact CB-O 3.48Å; A433-A457 HydrophobicContact CB-CB 3.66Å; E455-A457 PolarHBondContact O-N 3.45Å; A457-I471 HydrophobicContact CB-CG2 3.63Å
458	L	91.4	Very high	88.8	Confident	18 Å²	18	46.5 Å²	46.5	9%	0.094	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	-30.4	179.1	-76.9	178.6	0	0	0	113.7	T420 Y456 G472 K474 A498 L499 W500	T420-L458 WeakPolarHBondContact CG2-O 3.46Å; Y456-L458 HydrophobicContact CD1-CD2 4.09Å; Y456-L458 HydrophobicContact CD1-CG 4.23Å; Y456-L458 HydrophobicContact CE1-CD2 3.69Å; Y456-L458 HydrophobicContact CE1-CG 4.34Å; L458-G472 PolarHBondContact N-O 3.09Å; L458-K474 HydrophobicContact CD1-CB 3.9Å; L458-K474 HydrophobicContact CD1-CG 4.23Å; L458-K474 HydrophobicContact CG-CB 4.2Å; L458-A498 HydrophobicContact CD1-CB 3.86Å; L458-L499 WeakPolarHBondContact CB-O 3.48Å; L458-L499 WeakPolarHBondContact CD1-O 3.41Å; L458-W500 HydrophobicContact CD1-CE3 4.11Å; L458-W500 HydrophobicContact CD1-CZ3 4.25Å; L458-W500 HydrophobicContact CD2-CE3 4.4Å; L458-W500 HydrophobicContact CD2-CZ3 4.07Å
459	C	90.4	Very high	88.9	Confident	11 Å²	11	45.7 Å²	45.7	7%	0.074	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	150.6	174.6	54.2	0	0	0	0	110.2	T420 I471 G472 L499 M502	T420-C459 VanDerWaalsContact CG2-N 3.31Å; C459-I471 WeakPolarHBondContact O-CA 3.34Å; C459-G472 PolarHBondContact N-O 3.33Å; C459-G472 PolarHBondContact O-N 3.25Å; C459-L499 WeakPolarHBondContact SG-CD2 3.44Å; C459-M502 HydrophobicContact CB-CG 3.67Å; C459-M502 HydrophobicContact CB-SD 4.01Å; C459-M502 VanDerWaalsContact SG-CE 3.53Å
460	S	92.4	Very high	89	Confident	14 Å²	14	41.1 Å²	41.1	10%	0.098	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	151.3	-178.5	65.3	0	0	0	0	111.5	T420 L431 V470 M502	T420-S460 WeakPolarHBondContact CB-OG 3.33Å; T420-S460 WeakPolarHBondContact OG1-CB 3.22Å; T420-S460 PolarHBondContact OG1-OG 2.87Å; L431-S460 WeakPolarHBondContact CD2-OG 3.4Å; S460-V470 WeakPolarHBondContact CA-O 3.41Å; S460-M502 WeakPolarHBondContact CA-SD 3.33Å; S460-M502 PolarHBondContact N-SD 2.88Å; S460-M502 VanDerWaalsContact N-SD 3.43Å
461	F	91	Very high	89.2	Confident	17 Å²	17	35.4 Å²	35.4	8%	0.075	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	156.7	168.5	69.3	-92.4	0	0	0	111.8	V463 V470 M502 L504 F511 F525	F461-V463 HydrophobicContact CE2-CG2 4.26Å; F461-V470 HydrophobicContact CD1-CB 4.29Å; F461-V470 HydrophobicContact CD1-CG1 4.47Å; F461-V470 HydrophobicContact CE1-CB 3.69Å; F461-V470 HydrophobicContact CE1-CG1 3.66Å; F461-V470 HydrophobicContact CE1-CG2 4.42Å; F461-V470 HydrophobicContact CE2-CB 4.15Å; F461-V470 HydrophobicContact CE2-CG2 4.26Å; F461-V470 HydrophobicContact CZ-CB 3.59Å; F461-V470 HydrophobicContact CZ-CG1 3.88Å; F461-V470 HydrophobicContact CZ-CG2 3.84Å; F461-V470 PolarHBondContact N-O 3.11Å; F461-V470 VanDerWaalsContact N-O 3.11Å; F461-V470 PolarHBondContact O-N 2.88Å; F461-V470 VanDerWaalsContact O-N 3.11Å; F461-M502 HydrophobicContact CD1-CB 4.27Å; F461-M502 HydrophobicContact CD1-CG 3.74Å; F461-M502 HydrophobicContact CD1-SD 3.35Å; F461-M502 WeakPolarHBondContact CD1-SD 3.31Å; F461-M502 HydrophobicContact CE1-CB 4.33Å; F461-M502 HydrophobicContact CE1-CE 4.42Å; F461-M502 HydrophobicContact CE1-CG 4.23Å; F461-M502 HydrophobicContact CE1-SD 3.76Å; F461-M502 HydrophobicContact CG-SD 4.48Å; F461-L504 HydrophobicContact CD2-CD1 4.29Å; F461-L504 HydrophobicContact CE2-CD1 3.85Å; F461-F511 HydrophobicContact CE1-CB 4.19Å; F461-F511 HydrophobicContact CE1-CD1 4.42Å; F461-F511 AromaticContact CE1-CD2 3.86Å; F461-F511 HydrophobicContact CE1-CD2 3.86Å; F461-F511 HydrophobicContact CE1-CE2 4.32Å; F461-F511 AromaticContact CE1-CG 3.91Å; F461-F511 HydrophobicContact CE1-CG 3.91Å; F461-F511 HydrophobicContact CZ-CB 3.88Å; F461-F511 AromaticContact CZ-CD1 3.7Å; F461-F511 HydrophobicContact CZ-CD1 3.7Å; F461-F511 AromaticContact CZ-CD2 3.97Å; F461-F511 HydrophobicContact CZ-CD2 3.97Å; F461-F511 HydrophobicContact CZ-CE1 4.15Å; F461-F511 HydrophobicContact CZ-CE2 4.42Å; F461-F511 AromaticContact CZ-CG 3.57Å; F461-F511 HydrophobicContact CZ-CG 3.57Å; F461-F511 HydrophobicContact CZ-CZ 4.48Å; F461-F525 AromaticContact CE2-CZ 3.88Å; F461-F525 HydrophobicContact CE2-CZ 3.88Å; F461-F525 AromaticContact CZ-CZ 3.95Å; F461-F525 HydrophobicContact CZ-CZ 3.95Å
462	F	91.8	Very high	89.3	Confident	12 Å²	12	32 Å²	32	5%	0.053	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128.6	169.1	-77.7	-80.1	0	0	0	111.1	S422 F423 A429 L431 V469 L483	S422-F462 WeakPolarHBondContact O-CE2 3.22Å; F423-F462 VanDerWaalsContact C-CD2 3.42Å; F423-F462 WeakPolarHBondContact O-CD2 3.26Å; A429-F462 HydrophobicContact CB-CZ 4.31Å; L431-F462 HydrophobicContact CB-CD2 4.18Å; L431-F462 HydrophobicContact CB-CE1 4.38Å; L431-F462 HydrophobicContact CB-CE2 3.35Å; L431-F462 HydrophobicContact CB-CZ 3.49Å; L431-F462 VanDerWaalsContact CB-CZ 3.49Å; L431-F462 HydrophobicContact CD1-CE1 4.28Å; L431-F462 HydrophobicContact CD1-CZ 4.16Å; L431-F462 HydrophobicContact CG-CZ 4.49Å; F462-V469 HydrophobicContact CD1-CG2 3.65Å; F462-V469 HydrophobicContact CE1-CG2 3.79Å; F462-V469 HydrophobicContact CG-CG2 4.47Å; F462-L483 HydrophobicContact CD1-CD1 4.17Å; F462-L483 HydrophobicContact CE1-CD1 3.69Å
463	V	88.9	Confident	89.4	Confident	9 Å²	9	31.1 Å²	31.1	6%	0.055	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-66.7	139	171.3	-179.1	0	0	0	0	108.5	F461 G465 D466 Q468 V470 L480 F525 L538	F461-V463 HydrophobicContact CE2-CG2 4.26Å; V463-G465 PolarHBondContact O-N 3.19Å; V463-D466 WeakPolarHBondContact O-CA 3.42Å; V463-D466 PolarHBondContact O-N 2.7Å; V463-Q468 HydrophobicContact CB-CB 4.16Å; V463-Q468 WeakPolarHBondContact CB-O 3.4Å; V463-Q468 HydrophobicContact CG2-CB 4.03Å; V463-Q468 PolarHBondContact N-O 2.93Å; V463-V470 HydrophobicContact CG2-CG2 3.69Å; V463-L480 HydrophobicContact CG2-CD1 4.25Å; V463-F525 HydrophobicContact CG1-CE1 4.2Å; V463-F525 HydrophobicContact CG1-CE2 4.29Å; V463-F525 HydrophobicContact CG1-CZ 4.06Å; V463-F525 HydrophobicContact CG2-CE1 4.1Å; V463-F525 HydrophobicContact CG2-CZ 4.11Å; V463-L538 HydrophobicContact CG1-CD2 3.76Å
464	P	82.9	Confident	89.6	Confident	37 Å²	37	31.2 Å²	31.2	24%	0.24	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	130.5	175	-31.8	38.3	0	0	0	112.9	L504 Q508	P464-L504 HydrophobicContact CG-CD1 4.03Å; P464-L504 HydrophobicContact CG-CD2 3.7Å; P464-L504 HydrophobicContact CG-CG 4.47Å; P464-Q508 HydrophobicContact CB-CB 3.86Å; P464-Q508 HydrophobicContact CB-CG 4.11Å; P464-Q508 HydrophobicContact CG-CB 3.57Å; P464-Q508 HydrophobicContact CG-CG 3.8Å
465	G	82.2	Confident	89.8	Confident	63 Å²	63	34.1 Å²	34.1	65%	0.649	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.8	5.8	-169.8	0	0	0	0	0	114.4	V463 R467	V463-G465 PolarHBondContact O-N 3.19Å; G465-R467 PolarHBondContact O-N 2.79Å
466	D	84.8	Confident	90	Very high	27 Å²	27	30.8 Å²	30.8	14%	0.144	16%	0.163	C	C	.	.	S	Bend	trans	50.9	14.5	168.4	-66.1	-28.4	0	0	0	115.9	S424 S425 D426 V463 L483	S424-D466 WeakPolarHBondContact CB-OD2 3.42Å; S425-D466 WeakPolarHBondContact CB-OD2 3.11Å; S425-D466 VanDerWaalsContact N-CG 3.35Å; S425-D466 PolarHBondContact N-OD1 3.22Å; S425-D466 PolarHBondContact N-OD2 3.48Å; S425-D466 PolarHBondContact OG-OD1 2.84Å; S425-D466 PolarHBondContact OG-OD2 3.17Å; D426-D466 PolarHBondContact N-OD2 3.25Å; V463-D466 WeakPolarHBondContact O-CA 3.42Å; V463-D466 PolarHBondContact O-N 2.7Å; D466-L483 WeakPolarHBondContact O-CD1 3.37Å
467	R	87.1	Confident	90.1	Very high	138 Å²	138	29.8 Å²	29.8	52%	0.521	16%	0.16	S	C	.	.	S	Bend	trans	-84.1	-27	-179.1	-176.9	172.7	173.7	171.8	-1.1	112.4	G465 D482 L483	G465-R467 PolarHBondContact O-N 2.79Å; R467-D482 WeakPolarHBondContact CG-OD1 3.37Å; R467-D482 IonicContact NE-OD1 3.48Å; R467-D482 PolarHBondContact NE-OD1 2.93Å; R467-L483 WeakPolarHBondContact O-CB 3.22Å; R467-L483 VanDerWaalsContact O-CG 3.32Å; R467-L483 WeakPolarHBondContact O-CG 3.19Å; R467-L483 PolarHBondContact O-N 3.15Å
468	Q	89.8	Confident	90.1	Very high	20 Å²	20	29.9 Å²	29.9	9%	0.093	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	159.5	-173.1	-64	178.3	-0.5	0	0	111.3	V463 L480 Y481 L489	V463-Q468 HydrophobicContact CB-CB 4.16Å; V463-Q468 WeakPolarHBondContact CB-O 3.4Å; V463-Q468 HydrophobicContact CG2-CB 4.03Å; V463-Q468 PolarHBondContact N-O 2.93Å; Q468-L480 HydrophobicContact CB-CD1 4.26Å; Q468-Y481 CarbonylContact C-O 3.56Å; Q468-Y481 WeakPolarHBondContact CA-O 3.41Å; Q468-Y481 WeakPolarHBondContact CB-O 3.32Å; Q468-L489 HydrophobicContact CG-CD1 4.26Å
469	V	91.3	Very high	90.1	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	136.6	-179	170.7	0	0	0	0	109.2	L431 F462 I471 L480 Y481 L483	L431-V469 HydrophobicContact CD1-CB 3.95Å; L431-V469 HydrophobicContact CD1-CG1 3.35Å; L431-V469 HydrophobicContact CD1-CG2 3.37Å; L431-V469 HydrophobicContact CD2-CG1 4.28Å; L431-V469 HydrophobicContact CG-CG1 4.46Å; F462-V469 HydrophobicContact CD1-CG2 3.65Å; F462-V469 HydrophobicContact CE1-CG2 3.79Å; F462-V469 HydrophobicContact CG-CG2 4.47Å; V469-I471 HydrophobicContact CG1-CD1 4.14Å; V469-I471 HydrophobicContact CG1-CG1 3.98Å; V469-L480 WeakPolarHBondContact O-CA 3.45Å; V469-Y481 PolarHBondContact N-O 2.9Å; V469-Y481 PolarHBondContact O-N 2.82Å; V469-L483 HydrophobicContact CB-CD2 4.26Å; V469-L483 HydrophobicContact CG2-CD1 4.27Å; V469-L483 HydrophobicContact CG2-CD2 3.42Å; V469-L483 VanDerWaalsContact CG2-CD2 3.42Å; V469-L483 HydrophobicContact CG2-CG 4.13Å
470	V	92.3	Very high	90.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	139.1	173.7	172.3	0	0	0	0	109.8	S460 F461 V463 L478 L480 M502 F511 F525	S460-V470 WeakPolarHBondContact CA-O 3.41Å; F461-V470 HydrophobicContact CD1-CB 4.29Å; F461-V470 HydrophobicContact CD1-CG1 4.47Å; F461-V470 HydrophobicContact CE1-CB 3.69Å; F461-V470 HydrophobicContact CE1-CG1 3.66Å; F461-V470 HydrophobicContact CE1-CG2 4.42Å; F461-V470 HydrophobicContact CE2-CB 4.15Å; F461-V470 HydrophobicContact CE2-CG2 4.26Å; F461-V470 HydrophobicContact CZ-CB 3.59Å; F461-V470 HydrophobicContact CZ-CG1 3.88Å; F461-V470 HydrophobicContact CZ-CG2 3.84Å; F461-V470 PolarHBondContact N-O 3.11Å; F461-V470 VanDerWaalsContact N-O 3.11Å; F461-V470 PolarHBondContact O-N 2.88Å; F461-V470 VanDerWaalsContact O-N 3.11Å; V463-V470 HydrophobicContact CG2-CG2 3.69Å; V470-L478 HydrophobicContact CG1-CD1 3.81Å; V470-L478 HydrophobicContact CG1-CD2 3.71Å; V470-L478 HydrophobicContact CG1-CG 3.76Å; V470-L480 HydrophobicContact CG2-CD1 3.39Å; V470-M502 HydrophobicContact CG1-CE 4.04Å; V470-F511 HydrophobicContact CG1-CE2 4.35Å; V470-F511 HydrophobicContact CG1-CZ 4.16Å; V470-F525 HydrophobicContact CG2-CE1 4.3Å
471	I	91.8	Very high	90.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	137.1	-179.4	-66.3	166.9	0	0	0	110.5	I438 A457 C459 V469 L478 Q479 Y481	I438-I471 HydrophobicContact CB-CD1 4.35Å; I438-I471 HydrophobicContact CD1-CD1 2.98Å; I438-I471 HydrophobicContact CD1-CG1 4.47Å; I438-I471 HydrophobicContact CG1-CD1 3.26Å; I438-I471 HydrophobicContact CG2-CD1 4.26Å; A457-I471 HydrophobicContact CB-CG2 3.63Å; C459-I471 WeakPolarHBondContact O-CA 3.34Å; V469-I471 HydrophobicContact CG1-CD1 4.14Å; V469-I471 HydrophobicContact CG1-CG1 3.98Å; I471-L478 CarbonylContact O-C 3.57Å; I471-L478 WeakPolarHBondContact O-CA 3.45Å; I471-Q479 PolarHBondContact N-O 2.85Å; I471-Q479 PolarHBondContact O-N 3.2Å; I471-Y481 HydrophobicContact CD1-CD2 3.83Å; I471-Y481 HydrophobicContact CD1-CE2 3.79Å
472	G	92.9	Very high	90.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.5	170.1	0	0	0	0	0	110.5	L458 C459	L458-G472 PolarHBondContact N-O 3.09Å; C459-G472 PolarHBondContact N-O 3.33Å; C459-G472 PolarHBondContact O-N 3.25Å
473	T	92.9	Very high	89.8	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	161.2	-179.4	69.8	0	0	0	0	112	E455 Y456 T475 G476 K477 Q479 L499	E455-T473 HydrophobicContact CB-CG2 3.92Å; Y456-T473 CarbonylContact O-C 3.57Å; Y456-T473 WeakPolarHBondContact O-CA 3.46Å; T473-T475 PolarHBondContact O-N 3.14Å; T473-T475 PolarHBondContact OG1-N 2.85Å; T473-T475 PolarHBondContact OG1-OG1 3.37Å; T473-G476 PolarHBondContact O-N 3.04Å; T473-G476 VanDerWaalsContact O-N 3.12Å; T473-K477 HydrophobicContact CG2-CB 4.46Å; T473-K477 PolarHBondContact N-O 2.67Å; T473-K477 WeakPolarHBondContact OG1-CA 3.45Å; T473-K477 WeakPolarHBondContact OG1-CB 3.49Å; T473-K477 PolarHBondContact OG1-N 2.87Å; T473-K477 PolarHBondContact OG1-O 3.26Å; T473-K477 VanDerWaalsContact OG1-O 3.11Å; T473-Q479 HydrophobicContact CG2-CG 4.28Å; T473-L499 PolarHBondContact O-N 2.96Å
474	K	92.6	Very high	89.6	Confident	121 Å²	121	32.3 Å²	32.3	53%	0.526	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.7	170.8	-173.2	174.7	179.4	177.9	0	113.3	Y456 L458 G476 A498	Y456-K474 HydrophobicContact CD1-CB 3.82Å; Y456-K474 HydrophobicContact CD1-CD 4.15Å; Y456-K474 HydrophobicContact CE1-CD 4.46Å; Y456-K474 HydrophobicContact CG-CB 4.16Å; Y456-K474 HydrophobicContact CG-CD 4.35Å; Y456-K474 PolarHBondContact O-N 3.46Å; L458-K474 HydrophobicContact CD1-CB 3.9Å; L458-K474 HydrophobicContact CD1-CG 4.23Å; L458-K474 HydrophobicContact CG-CB 4.2Å; K474-G476 PolarHBondContact O-N 3.26Å; K474-A498 HydrophobicContact CG-CB 4.13Å; K474-A498 WeakPolarHBondContact O-CA 3.44Å; K474-A498 WeakPolarHBondContact O-CB 3.19Å
475	T	91.6	Very high	89.7	Confident	78 Å²	78	33.1 Å²	33.1	48%	0.479	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-2.5	175.8	47.1	0	0	0	0	113	E455 T473	E455-T475 PolarHBondContact OE2-OG1 2.83Å; T473-T475 PolarHBondContact O-N 3.14Å; T473-T475 PolarHBondContact OG1-N 2.85Å; T473-T475 PolarHBondContact OG1-OG1 3.37Å
476	G	89.6	Confident	89.7	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	84.8	10.2	-178.5	0	0	0	0	0	114.2	T473 K474 A494 H495 G497	T473-G476 PolarHBondContact O-N 3.04Å; T473-G476 VanDerWaalsContact O-N 3.12Å; K474-G476 PolarHBondContact O-N 3.26Å; G476-A494 CarbonylContact O-C 3.58Å; G476-A494 WeakPolarHBondContact O-CA 3.37Å; G476-A494 WeakPolarHBondContact O-CB 3.44Å; G476-A494 PolarHBondContact O-N 3.23Å; G476-H495 WeakPolarHBondContact CA-O 3.46Å; G476-H495 PolarHBondContact O-N 3.13Å; G476-G497 WeakPolarHBondContact CA-O 3.46Å; G476-G497 PolarHBondContact N-O 2.69Å
477	K	92.7	Very high	89.8	Confident	59 Å²	59	34.5 Å²	34.5	26%	0.257	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	149.2	178.6	-53	-172.2	179.9	168.4	0	111.2	E455 T473 T491 I492 D493	E455-K477 IonicContact OE1-NZ 2.88Å; T473-K477 HydrophobicContact CG2-CB 4.46Å; T473-K477 PolarHBondContact N-O 2.67Å; T473-K477 WeakPolarHBondContact OG1-CA 3.45Å; T473-K477 WeakPolarHBondContact OG1-CB 3.49Å; T473-K477 PolarHBondContact OG1-N 2.87Å; T473-K477 PolarHBondContact OG1-O 3.26Å; T473-K477 VanDerWaalsContact OG1-O 3.11Å; K477-T491 HydrophobicContact CB-CG2 4.29Å; K477-T491 HydrophobicContact CD-CG2 3.96Å; K477-I492 CarbonylContact C-O 3.57Å; K477-I492 WeakPolarHBondContact CA-O 3.31Å; K477-D493 WeakPolarHBondContact CD-OD1 3.35Å; K477-D493 VanDerWaalsContact CE-OD1 3.25Å; K477-D493 WeakPolarHBondContact CE-OD1 3.28Å; K477-D493 VanDerWaalsContact CG-OD1 3.3Å; K477-D493 WeakPolarHBondContact CG-OD1 3.18Å
478	L	92.4	Very high	89.8	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	122.6	170.7	-167.2	142.1	0	0	0	109.1	V470 I471 T491 I492 A494 F511 T513 V540	V470-L478 HydrophobicContact CG1-CD1 3.81Å; V470-L478 HydrophobicContact CG1-CD2 3.71Å; V470-L478 HydrophobicContact CG1-CG 3.76Å; I471-L478 CarbonylContact O-C 3.57Å; I471-L478 WeakPolarHBondContact O-CA 3.45Å; L478-T491 WeakPolarHBondContact O-CA 3.33Å; L478-I492 HydrophobicContact CB-CB 4.45Å; L478-I492 PolarHBondContact N-O 2.81Å; L478-I492 PolarHBondContact O-N 3.4Å; L478-A494 HydrophobicContact CB-CB 4.11Å; L478-F511 HydrophobicContact CD1-CE2 3.4Å; L478-F511 HydrophobicContact CD1-CZ 3.47Å; L478-F511 VanDerWaalsContact CD1-CZ 3.47Å; L478-F511 HydrophobicContact CD2-CZ 4.34Å; L478-T513 HydrophobicContact CD1-CG2 4.07Å; L478-V540 HydrophobicContact CD2-CG2 4.46Å
479	Q	91.9	Very high	89.6	Confident	8 Å²	8	34 Å²	34	4%	0.037	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.1	-179.6	-69.5	-176.5	-14.7	0	0	109.8	I471 T473 Y481 L488 T491	I471-Q479 PolarHBondContact N-O 2.85Å; I471-Q479 PolarHBondContact O-N 3.2Å; T473-Q479 HydrophobicContact CG2-CG 4.28Å; Q479-Y481 HydrophobicContact CB-CD2 4.39Å; Q479-Y481 HydrophobicContact CB-CE2 3.64Å; Q479-Y481 PolarHBondContact OE1-OH 3.33Å; Q479-L488 HydrophobicContact CB-CD1 3.77Å; Q479-L488 HydrophobicContact CG-CD1 4.1Å; Q479-T491 HydrophobicContact CG-CG2 4.17Å
480	L	91.6	Very high	89.4	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.9	176.7	-175.8	74.2	0	0	0	109.8	V463 Q468 V469 V470 L489 E490 L538	V463-L480 HydrophobicContact CG2-CD1 4.25Å; Q468-L480 HydrophobicContact CB-CD1 4.26Å; V469-L480 WeakPolarHBondContact O-CA 3.45Å; V470-L480 HydrophobicContact CG2-CD1 3.39Å; L480-L489 HydrophobicContact CB-CB 4.46Å; L480-L489 HydrophobicContact CD2-CB 4.13Å; L480-L489 HydrophobicContact CD2-CD1 3.84Å; L480-L489 HydrophobicContact CG-CB 4.32Å; L480-L489 HydrophobicContact CG-CD1 4.11Å; L480-L489 PolarHBondContact O-N 2.85Å; L480-E490 PolarHBondContact N-O 3.22Å; L480-L538 HydrophobicContact CD2-CB 4.41Å; L480-L538 VanDerWaalsContact CD2-O 3.26Å; L480-L538 WeakPolarHBondContact CD2-O 2.91Å
481	Y	90.9	Very high	89.3	Confident	8 Å²	8	38.8 Å²	38.8	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	144.1	179.4	-67.3	-84.2	0	0	0	111.5	I438 M452 T453 Q468 V469 I471 Q479 N487 L488	I438-Y481 HydrophobicContact CD1-CD2 3.88Å; I438-Y481 HydrophobicContact CD1-CE1 4.48Å; I438-Y481 HydrophobicContact CD1-CE2 3.51Å; M452-Y481 HydrophobicContact CB-CE1 4.45Å; M452-Y481 HydrophobicContact CE-CD1 3.28Å; M452-Y481 HydrophobicContact CE-CE1 3.86Å; M452-Y481 HydrophobicContact CE-CG 4.13Å; T453-Y481 PolarHBondContact O-OH 2.81Å; Q468-Y481 CarbonylContact C-O 3.56Å; Q468-Y481 WeakPolarHBondContact CA-O 3.41Å; Q468-Y481 WeakPolarHBondContact CB-O 3.32Å; V469-Y481 PolarHBondContact N-O 2.9Å; V469-Y481 PolarHBondContact O-N 2.82Å; I471-Y481 HydrophobicContact CD1-CD2 3.83Å; I471-Y481 HydrophobicContact CD1-CE2 3.79Å; Q479-Y481 HydrophobicContact CB-CD2 4.39Å; Q479-Y481 HydrophobicContact CB-CE2 3.64Å; Q479-Y481 PolarHBondContact OE1-OH 3.33Å; Y481-N487 WeakPolarHBondContact CA-O 3.4Å; Y481-L488 HydrophobicContact CD1-CB 4Å; Y481-L488 HydrophobicContact CD1-CD1 3.98Å; Y481-L488 HydrophobicContact CD2-CD1 4.34Å; Y481-L488 HydrophobicContact CE1-CB 3.71Å; Y481-L488 HydrophobicContact CE1-CD1 3.54Å; Y481-L488 HydrophobicContact CE1-CG 4.2Å; Y481-L488 HydrophobicContact CE2-CD1 3.88Å; Y481-L488 HydrophobicContact CG-CD1 4.4Å; Y481-L488 VanDerWaalsContact CZ-CD1 3.47Å
482	D	89.4	Confident	89.3	Confident	14 Å²	14	40.6 Å²	40.6	8%	0.075	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130.8	169.7	176.7	58.6	0	0	0	110.5	R467 S485 G486 N487 L489	R467-D482 WeakPolarHBondContact CG-OD1 3.37Å; R467-D482 IonicContact NE-OD1 3.48Å; R467-D482 PolarHBondContact NE-OD1 2.93Å; D482-S485 WeakPolarHBondContact CB-OG 3.24Å; D482-S485 WeakPolarHBondContact OD2-CB 3.33Å; D482-S485 PolarHBondContact OD2-N 3.43Å; D482-S485 VanDerWaalsContact OD2-N 3.17Å; D482-S485 PolarHBondContact OD2-OG 3.44Å; D482-G486 VanDerWaalsContact O-CA 3.27Å; D482-G486 WeakPolarHBondContact O-CA 3.33Å; D482-G486 PolarHBondContact O-N 3.44Å; D482-N487 PolarHBondContact N-O 2.93Å; D482-N487 VanDerWaalsContact N-O 3.09Å; D482-L489 HydrophobicContact CB-CD1 3.92Å; D482-L489 HydrophobicContact CB-CD2 4.1Å; D482-L489 HydrophobicContact CB-CG 3.98Å
483	L	86.1	Confident	89.1	Confident	34 Å²	34	46.5 Å²	46.5	18%	0.178	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-33.3	-172.4	-59.7	-168.6	0	0	0	113.8	I440 F462 D466 R467 V469	I440-L483 HydrophobicContact CD1-CD1 4.07Å; I440-L483 HydrophobicContact CD1-CD2 3.12Å; I440-L483 HydrophobicContact CD1-CG 4.07Å; I440-L483 HydrophobicContact CG1-CD2 4.49Å; F462-L483 HydrophobicContact CD1-CD1 4.17Å; F462-L483 HydrophobicContact CE1-CD1 3.69Å; D466-L483 WeakPolarHBondContact O-CD1 3.37Å; R467-L483 WeakPolarHBondContact O-CB 3.22Å; R467-L483 VanDerWaalsContact O-CG 3.32Å; R467-L483 WeakPolarHBondContact O-CG 3.19Å; R467-L483 PolarHBondContact O-N 3.15Å; V469-L483 HydrophobicContact CB-CD2 4.26Å; V469-L483 HydrophobicContact CG2-CD1 4.27Å; V469-L483 HydrophobicContact CG2-CD2 3.42Å; V469-L483 VanDerWaalsContact CG2-CD2 3.42Å; V469-L483 HydrophobicContact CG2-CG 4.13Å
484	A	85.9	Confident	88.8	Confident	67 Å²	67	46.6 Å²	46.6	55%	0.554	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-50.4	-178.9	0	0	0	0	0	110.5	R450	R450-A484 PolarHBondContact NH2-O 3.13Å
485	S	83.6	Confident	88.8	Confident	54 Å²	54	41.1 Å²	41.1	38%	0.378	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-29.9	179.6	60.3	0	0	0	0	113.5	D482 N487	D482-S485 WeakPolarHBondContact CB-OG 3.24Å; D482-S485 WeakPolarHBondContact OD2-CB 3.33Å; D482-S485 PolarHBondContact OD2-N 3.43Å; D482-S485 VanDerWaalsContact OD2-N 3.17Å; D482-S485 PolarHBondContact OD2-OG 3.44Å; S485-N487 VanDerWaalsContact C-N 3.27Å; S485-N487 PolarHBondContact OG-N 3.3Å
486	G	82.5	Confident	88.6	Confident	19 Å²	19	45.1 Å²	45.1	20%	0.196	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	35.4	-170.7	0	0	0	0	0	111.9	M452 D482	M452-G486 VanDerWaalsContact CE-CA 3.42Å; M452-G486 WeakPolarHBondContact CE-O 3.21Å; M452-G486 WeakPolarHBondContact SD-CA 3.13Å; D482-G486 VanDerWaalsContact O-CA 3.27Å; D482-G486 WeakPolarHBondContact O-CA 3.33Å; D482-G486 PolarHBondContact O-N 3.44Å
487	N	86.6	Confident	88.6	Confident	101 Å²	101	46 Å²	46	54%	0.54	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	149.9	175.2	-69.1	-23.2	0	0	0	111.1	Y481 D482 S485 L489	Y481-N487 WeakPolarHBondContact CA-O 3.4Å; D482-N487 PolarHBondContact N-O 2.93Å; D482-N487 VanDerWaalsContact N-O 3.09Å; S485-N487 VanDerWaalsContact C-N 3.27Å; S485-N487 PolarHBondContact OG-N 3.3Å; N487-L489 PolarHBondContact O-N 2.95Å
488	L	87.5	Confident	88.5	Confident	78 Å²	78	43.9 Å²	43.9	41%	0.408	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	120.6	165.8	-178.9	71.2	0	0	0	108.1	Q479 Y481 T491	Q479-L488 HydrophobicContact CB-CD1 3.77Å; Q479-L488 HydrophobicContact CG-CD1 4.1Å; Y481-L488 HydrophobicContact CD1-CB 4Å; Y481-L488 HydrophobicContact CD1-CD1 3.98Å; Y481-L488 HydrophobicContact CD2-CD1 4.34Å; Y481-L488 HydrophobicContact CE1-CB 3.71Å; Y481-L488 HydrophobicContact CE1-CD1 3.54Å; Y481-L488 HydrophobicContact CE1-CG 4.2Å; Y481-L488 HydrophobicContact CE2-CD1 3.88Å; Y481-L488 HydrophobicContact CG-CD1 4.4Å; Y481-L488 VanDerWaalsContact CZ-CD1 3.47Å; L488-T491 WeakPolarHBondContact CD2-OG1 3.27Å
489	L	85.9	Confident	88.6	Confident	68 Å²	68	43.8 Å²	43.8	36%	0.356	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-57.3	178.8	-68.2	179	0	0	0	111	Q468 L480 D482 N487	Q468-L489 HydrophobicContact CG-CD1 4.26Å; L480-L489 HydrophobicContact CB-CB 4.46Å; L480-L489 HydrophobicContact CD2-CB 4.13Å; L480-L489 HydrophobicContact CD2-CD1 3.84Å; L480-L489 HydrophobicContact CG-CB 4.32Å; L480-L489 HydrophobicContact CG-CD1 4.11Å; L480-L489 PolarHBondContact O-N 2.85Å; D482-L489 HydrophobicContact CB-CD1 3.92Å; D482-L489 HydrophobicContact CB-CD2 4.1Å; D482-L489 HydrophobicContact CB-CG 3.98Å; N487-L489 PolarHBondContact O-N 2.95Å
490	E	85.8	Confident	88.6	Confident	39 Å²	39	48.2 Å²	48.2	18%	0.182	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	146.3	-175.1	-69.8	-173.8	170.6	0	0	110.4	L480 R537 S539	L480-E490 PolarHBondContact N-O 3.22Å; E490-R537 IonicContact OE1-CZ 2.67Å; E490-R537 IonicContact OE1-NE 2.85Å; E490-R537 PolarHBondContact OE1-NE 3.44Å; E490-S539 VanDerWaalsContact OE1-CB 3.31Å; E490-S539 WeakPolarHBondContact OE1-CB 3.21Å; E490-S539 VanDerWaalsContact OE2-CA 3.29Å; E490-S539 WeakPolarHBondContact OE2-CA 3.41Å; E490-S539 VanDerWaalsContact OE2-CB 3.3Å; E490-S539 WeakPolarHBondContact OE2-CB 3.37Å
491	T	91.5	Very high	88.5	Confident	65 Å²	65	48.7 Å²	48.7	40%	0.399	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.5	167.8	-59	0	0	0	0	107.8	K477 L478 Q479 L488	K477-T491 HydrophobicContact CB-CG2 4.29Å; K477-T491 HydrophobicContact CD-CG2 3.96Å; L478-T491 WeakPolarHBondContact O-CA 3.33Å; Q479-T491 HydrophobicContact CG-CG2 4.17Å; L488-T491 WeakPolarHBondContact CD2-OG1 3.27Å
492	I	90.3	Very high	88.6	Confident	37 Å²	37	49.5 Å²	49.5	19%	0.19	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.7	-175.3	-59.4	168.1	0	0	0	107.6	K477 L478 A494 W523 V540	K477-I492 CarbonylContact C-O 3.57Å; K477-I492 WeakPolarHBondContact CA-O 3.31Å; L478-I492 HydrophobicContact CB-CB 4.45Å; L478-I492 PolarHBondContact N-O 2.81Å; L478-I492 PolarHBondContact O-N 3.4Å; I492-A494 PolarHBondContact O-N 3.27Å; I492-W523 HydrophobicContact CG2-CH2 3.99Å; I492-W523 HydrophobicContact CG2-CZ3 4.02Å; I492-V540 HydrophobicContact CD1-CB 3.84Å
493	D	89.3	Confident	88.6	Confident	125 Å²	125	49.9 Å²	49.9	67%	0.668	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	95.9	172.9	-64.8	-28.6	0	0	0	108.1	K477	K477-D493 WeakPolarHBondContact CD-OD1 3.35Å; K477-D493 VanDerWaalsContact CE-OD1 3.25Å; K477-D493 WeakPolarHBondContact CE-OD1 3.28Å; K477-D493 VanDerWaalsContact CG-OD1 3.3Å; K477-D493 WeakPolarHBondContact CG-OD1 3.18Å
494	A	87.9	Confident	88.8	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.008	29%	0.29	C	S	.	.			trans	-85.9	-39.9	-171.2	0	0	0	0	0	112	G476 L478 I492 L499 K521 W523	G476-A494 CarbonylContact O-C 3.58Å; G476-A494 WeakPolarHBondContact O-CA 3.37Å; G476-A494 WeakPolarHBondContact O-CB 3.44Å; G476-A494 PolarHBondContact O-N 3.23Å; L478-A494 HydrophobicContact CB-CB 4.11Å; I492-A494 PolarHBondContact O-N 3.27Å; A494-L499 HydrophobicContact CB-CD1 4.31Å; A494-K521 WeakPolarHBondContact O-CD 3.37Å; A494-K521 WeakPolarHBondContact O-CE 3.29Å; A494-K521 PolarHBondContact O-NZ 3.38Å; A494-W523 HydrophobicContact CB-CH2 4.04Å; A494-W523 HydrophobicContact CB-CZ2 3.56Å
495	H	90.8	Very high	89	Confident	7 Å²	7	47.9 Å²	47.9	3%	0.032	27%	0.266	C	S	.	.			trans	-140.6	155.9	-175.2	-71.7	-87.7	0	0	0	110.8	G476 G497 T513 D517 S519	G476-H495 WeakPolarHBondContact CA-O 3.46Å; G476-H495 PolarHBondContact O-N 3.13Å; H495-G497 VanDerWaalsContact C-N 3.29Å; H495-T513 PolarHBondContact NE2-OG1 2.99Å; H495-D517 WeakPolarHBondContact CA-OD2 3.41Å; H495-D517 VanDerWaalsContact CB-OD2 3.29Å; H495-D517 WeakPolarHBondContact CB-OD2 3.48Å; H495-D517 IonicContact CE1-OD1 2.8Å; H495-D517 IonicContact CG-OD1 3.1Å; H495-D517 IonicContact CG-OD2 3.63Å; H495-D517 IonicContact ND1-OD1 2.92Å; H495-D517 PolarHBondContact ND1-OD1 3.42Å; H495-D517 IonicContact ND1-OD2 3.62Å; H495-D517 PolarHBondContact ND1-OD2 3.32Å; H495-S519 PolarHBondContact CE1-O 3.1Å; H495-S519 PolarHBondContact CE1-OG 2.67Å; H495-S519 VanDerWaalsContact CE1-OG 3.28Å; H495-S519 PolarHBondContact ND1-OG 2.85Å
496	D	87.5	Confident	89.1	Confident	161 Å²	161	47.8 Å²	47.8	86%	0.861	26%	0.264	S	S	*	.	S	Bend	trans	-80	-15.8	176.8	-66.5	-26.9	0	0	0	112.3	D517	D496-D517 HydrophobicContact CB-CB 4.33Å; D496-D517 PolarHBondContact N-OD2 2.78Å
497	G	89.6	Confident	89.2	Confident	19 Å²	19	51.1 Å²	51.1	20%	0.196	28%	0.277	C	S	.	.	S	Bend	trans	-124.8	-174.6	179.5	0	0	0	0	0	113	G476 H495 L499	G476-G497 WeakPolarHBondContact CA-O 3.46Å; G476-G497 PolarHBondContact N-O 2.69Å; H495-G497 VanDerWaalsContact C-N 3.29Å; G497-L499 PolarHBondContact O-N 3.17Å
498	A	91.9	Very high	89.1	Confident	14 Å²	14	52.1 Å²	52.1	12%	0.116	28%	0.279	C	S	.	.			trans	-62.7	136	-177.3	0	0	0	0	0	112.7	L458 K474 W500 G515 A516	L458-A498 HydrophobicContact CD1-CB 3.86Å; K474-A498 HydrophobicContact CG-CB 4.13Å; K474-A498 WeakPolarHBondContact O-CA 3.44Å; K474-A498 WeakPolarHBondContact O-CB 3.19Å; A498-W500 HydrophobicContact CB-CZ2 4.49Å; A498-W500 PolarHBondContact O-N 3.4Å; A498-G515 WeakPolarHBondContact O-CA 3.44Å; A498-A516 HydrophobicContact CB-CB 4.46Å; A498-A516 PolarHBondContact O-N 3.28Å
499	L	93.3	Very high	89.1	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	100.4	177	-154.6	162.7	0	0	0	109.1	L458 C459 T473 A494 G497 S501 M502 T513	L458-L499 WeakPolarHBondContact CB-O 3.48Å; L458-L499 WeakPolarHBondContact CD1-O 3.41Å; C459-L499 WeakPolarHBondContact SG-CD2 3.44Å; T473-L499 PolarHBondContact O-N 2.96Å; A494-L499 HydrophobicContact CB-CD1 4.31Å; G497-L499 PolarHBondContact O-N 3.17Å; L499-S501 VanDerWaalsContact CD2-O 3.26Å; L499-S501 WeakPolarHBondContact CD2-O 3.09Å; L499-M502 HydrophobicContact CD2-CE 4.14Å; L499-T513 HydrophobicContact CD1-CG2 3.95Å; L499-T513 HydrophobicContact CD2-CG2 4.19Å
500	W	91.9	Very high	89.3	Confident	100 Å²	100	54.3 Å²	54.3	38%	0.379	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-38	-172.6	-72.9	117.4	0	0	0	113.3	L458 A498 G514 V552 L553	L458-W500 HydrophobicContact CD1-CE3 4.11Å; L458-W500 HydrophobicContact CD1-CZ3 4.25Å; L458-W500 HydrophobicContact CD2-CE3 4.4Å; L458-W500 HydrophobicContact CD2-CZ3 4.07Å; A498-W500 HydrophobicContact CB-CZ2 4.49Å; A498-W500 PolarHBondContact O-N 3.4Å; W500-G514 PolarHBondContact N-O 2.88Å; W500-V552 VanDerWaalsContact CD1-O 3.28Å; W500-L553 WeakPolarHBondContact CB-O 3.39Å
501	S	90.4	Very high	89.7	Confident	11 Å²	11	52.5 Å²	52.5	8%	0.077	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	150.9	-174.9	53.6	0	0	0	0	112.9	L499 T513 G514 L553 C554 V555	L499-S501 VanDerWaalsContact CD2-O 3.26Å; L499-S501 WeakPolarHBondContact CD2-O 3.09Å; S501-T513 WeakPolarHBondContact O-CA 3.17Å; S501-G514 PolarHBondContact N-O 2.99Å; S501-G514 PolarHBondContact O-N 3.28Å; S501-L553 WeakPolarHBondContact CB-O 3.18Å; S501-L553 PolarHBondContact OG-O 3.34Å; S501-L553 VanDerWaalsContact OG-O 3.1Å; S501-C554 VanDerWaalsContact OG-CA 3.31Å; S501-C554 WeakPolarHBondContact OG-CA 3.16Å; S501-V555 PolarHBondContact OG-N 3.18Å
502	M	92.1	Very high	89.8	Confident	26 Å²	26	49.4 Å²	49.4	13%	0.128	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	142	171.7	55.6	-174.4	34.8	0	0	109.3	C459 S460 F461 V470 L499 V512 T513	C459-M502 HydrophobicContact CB-CG 3.67Å; C459-M502 HydrophobicContact CB-SD 4.01Å; C459-M502 VanDerWaalsContact SG-CE 3.53Å; S460-M502 WeakPolarHBondContact CA-SD 3.33Å; S460-M502 PolarHBondContact N-SD 2.88Å; S460-M502 VanDerWaalsContact N-SD 3.43Å; F461-M502 HydrophobicContact CD1-CB 4.27Å; F461-M502 HydrophobicContact CD1-CG 3.74Å; F461-M502 HydrophobicContact CD1-SD 3.35Å; F461-M502 WeakPolarHBondContact CD1-SD 3.31Å; F461-M502 HydrophobicContact CE1-CB 4.33Å; F461-M502 HydrophobicContact CE1-CE 4.42Å; F461-M502 HydrophobicContact CE1-CG 4.23Å; F461-M502 HydrophobicContact CE1-SD 3.76Å; F461-M502 HydrophobicContact CG-SD 4.48Å; V470-M502 HydrophobicContact CG1-CE 4.04Å; L499-M502 HydrophobicContact CD2-CE 4.14Å; M502-V512 CarbonylContact C-O 3.53Å; M502-V512 WeakPolarHBondContact CA-O 2.97Å; M502-T513 HydrophobicContact CB-CG2 4.46Å
503	S	90.5	Very high	89.9	Confident	22 Å²	22	47.6 Å²	47.6	15%	0.154	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	128.5	177	-174.9	0	0	0	0	109.5	F511 V512 Y557	S503-F511 CarbonylContact O-C 3.59Å; S503-F511 VanDerWaalsContact O-CA 3.29Å; S503-F511 WeakPolarHBondContact O-CA 3.29Å; S503-F511 VanDerWaalsContact O-CB 3.31Å; S503-F511 WeakPolarHBondContact O-CB 3.36Å; S503-V512 PolarHBondContact N-O 3.49Å; S503-V512 PolarHBondContact O-N 2.82Å; S503-Y557 PolarHBondContact OG-N 3.36Å
504	L	90.8	Very high	90.1	Very high	53 Å²	53	41.7 Å²	41.7	28%	0.277	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	141.2	171.7	-174.3	73.1	0	0	0	109.6	F461 P464 F511 F525 Y557	F461-L504 HydrophobicContact CD2-CD1 4.29Å; F461-L504 HydrophobicContact CE2-CD1 3.85Å; P464-L504 HydrophobicContact CG-CD1 4.03Å; P464-L504 HydrophobicContact CG-CD2 3.7Å; P464-L504 HydrophobicContact CG-CG 4.47Å; L504-F511 HydrophobicContact CD1-CB 4.4Å; L504-F525 HydrophobicContact CD1-CE2 3.87Å; L504-F525 HydrophobicContact CD1-CZ 4.38Å; L504-Y557 WeakPolarHBondContact O-CD2 3.43Å
505	S	89.4	Confident	90.3	Very high	6 Å²	6	41.6 Å²	41.6	4%	0.042	21%	0.209	C	C	.	.			trans	-69.7	141.7	169.2	63.2	0	0	0	0	110.5	D507 Q508 G510	S505-D507 PolarHBondContact O-N 3.25Å; S505-D507 VanDerWaalsContact O-N 3.13Å; S505-Q508 PolarHBondContact O-N 3.5Å; S505-G510 VanDerWaalsContact CB-O 3.27Å; S505-G510 WeakPolarHBondContact CB-O 3.4Å; S505-G510 PolarHBondContact N-O 3.41Å; S505-G510 VanDerWaalsContact OG-C 3.31Å; S505-G510 PolarHBondContact OG-N 2.91Å; S505-G510 VanDerWaalsContact OG-N 3.14Å; S505-G510 PolarHBondContact OG-O 3.21Å
506	P	85.8	Confident	90.4	Very high	52 Å²	52	42.5 Å²	42.5	34%	0.338	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-28.7	176.2	-25	33.3	0	0	0	113.7	Q508 S558 P559 Q561	P506-Q508 PolarHBondContact O-N 3.17Å; P506-S558 VanDerWaalsContact CG-O 3.24Å; P506-S558 WeakPolarHBondContact CG-O 3.47Å; P506-P559 VanDerWaalsContact CB-O 3.25Å; P506-P559 WeakPolarHBondContact CB-O 3.1Å; P506-P559 WeakPolarHBondContact CG-O 3.27Å; P506-Q561 HydrophobicContact CG-CB 4.16Å
507	D	84.1	Confident	90.5	Very high	88 Å²	88	36.6 Å²	36.6	47%	0.471	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-8.8	174.7	-92.8	-4.5	0	0	0	114.7	S505 R509 Q561	S505-D507 PolarHBondContact O-N 3.25Å; S505-D507 VanDerWaalsContact O-N 3.13Å; D507-R509 PolarHBondContact O-N 3.25Å; D507-Q561 VanDerWaalsContact CG-CD 3.44Å; D507-Q561 VanDerWaalsContact CG-NE2 3.29Å; D507-Q561 PolarHBondContact OD1-OE1 3.47Å; D507-Q561 VanDerWaalsContact OD2-CD 3.26Å; D507-Q561 PolarHBondContact OD2-NE2 2.81Å; D507-Q561 PolarHBondContact OD2-OE1 2.91Å
508	Q	85.8	Confident	90.7	Very high	123 Å²	123	39.2 Å²	39.2	58%	0.575	19%	0.192	S	C	*	.	S	Bend	trans	62.1	5.6	-179.3	-62.4	-177.9	2.2	0	0	115.1	P464 S505 P506	P464-Q508 HydrophobicContact CB-CB 3.86Å; P464-Q508 HydrophobicContact CB-CG 4.11Å; P464-Q508 HydrophobicContact CG-CB 3.57Å; P464-Q508 HydrophobicContact CG-CG 3.8Å; S505-Q508 PolarHBondContact O-N 3.5Å; P506-Q508 PolarHBondContact O-N 3.17Å
509	R	87	Confident	90.7	Very high	188 Å²	188	39.1 Å²	39.1	71%	0.709	19%	0.191	S	C	*	.	S	Bend	trans	-92.5	-22.6	-177.2	-71	179.8	-177.7	-170.9	2.3	114.1	D507 F525	D507-R509 PolarHBondContact O-N 3.25Å; R509-F525 WeakPolarHBondContact O-CB 3.44Å; R509-F525 VanDerWaalsContact O-CD2 3.29Å; R509-F525 WeakPolarHBondContact O-CD2 3.33Å; R509-F525 PolarHBondContact O-N 3.03Å
510	G	89.7	Confident	90.8	Very high	3 Å²	3	39.1 Å²	39.1	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	-176.2	-179.2	0	0	0	0	0	112.6	S505 W523	S505-G510 VanDerWaalsContact CB-O 3.27Å; S505-G510 WeakPolarHBondContact CB-O 3.4Å; S505-G510 PolarHBondContact N-O 3.41Å; S505-G510 VanDerWaalsContact OG-C 3.31Å; S505-G510 PolarHBondContact OG-N 2.91Å; S505-G510 VanDerWaalsContact OG-N 3.14Å; S505-G510 PolarHBondContact OG-O 3.21Å; G510-W523 CarbonylContact C-O 3.53Å; G510-W523 WeakPolarHBondContact CA-O 3.37Å
511	F	93.4	Very high	90.9	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	167.7	177.6	65.7	-85.3	0	0	0	110.5	F461 V470 L478 S503 L504 T513 W523 F525 V540	F461-F511 HydrophobicContact CE1-CB 4.19Å; F461-F511 HydrophobicContact CE1-CD1 4.42Å; F461-F511 AromaticContact CE1-CD2 3.86Å; F461-F511 HydrophobicContact CE1-CD2 3.86Å; F461-F511 HydrophobicContact CE1-CE2 4.32Å; F461-F511 AromaticContact CE1-CG 3.91Å; F461-F511 HydrophobicContact CE1-CG 3.91Å; F461-F511 HydrophobicContact CZ-CB 3.88Å; F461-F511 AromaticContact CZ-CD1 3.7Å; F461-F511 HydrophobicContact CZ-CD1 3.7Å; F461-F511 AromaticContact CZ-CD2 3.97Å; F461-F511 HydrophobicContact CZ-CD2 3.97Å; F461-F511 HydrophobicContact CZ-CE1 4.15Å; F461-F511 HydrophobicContact CZ-CE2 4.42Å; F461-F511 AromaticContact CZ-CG 3.57Å; F461-F511 HydrophobicContact CZ-CG 3.57Å; F461-F511 HydrophobicContact CZ-CZ 4.48Å; V470-F511 HydrophobicContact CG1-CE2 4.35Å; V470-F511 HydrophobicContact CG1-CZ 4.16Å; L478-F511 HydrophobicContact CD1-CE2 3.4Å; L478-F511 HydrophobicContact CD1-CZ 3.47Å; L478-F511 VanDerWaalsContact CD1-CZ 3.47Å; L478-F511 HydrophobicContact CD2-CZ 4.34Å; S503-F511 CarbonylContact O-C 3.59Å; S503-F511 VanDerWaalsContact O-CA 3.29Å; S503-F511 WeakPolarHBondContact O-CA 3.29Å; S503-F511 VanDerWaalsContact O-CB 3.31Å; S503-F511 WeakPolarHBondContact O-CB 3.36Å; L504-F511 HydrophobicContact CD1-CB 4.4Å; F511-T513 HydrophobicContact CD2-CG2 3.96Å; F511-T513 HydrophobicContact CE2-CG2 3.63Å; F511-W523 HydrophobicContact CD1-CB 3.97Å; F511-W523 HydrophobicContact CD2-CB 4.19Å; F511-W523 HydrophobicContact CD2-CG 4.38Å; F511-W523 HydrophobicContact CE1-CB 3.64Å; F511-W523 HydrophobicContact CE1-CG 4.37Å; F511-W523 HydrophobicContact CE2-CB 3.84Å; F511-W523 AromaticContact CE2-CD1 3.58Å; F511-W523 AromaticContact CE2-CG 3.78Å; F511-W523 HydrophobicContact CE2-CG 3.78Å; F511-W523 HydrophobicContact CG-CB 4.25Å; F511-W523 HydrophobicContact CZ-CB 3.58Å; F511-W523 AromaticContact CZ-CG 3.8Å; F511-W523 HydrophobicContact CZ-CG 3.8Å; F511-W523 PolarHBondContact N-O 2.99Å; F511-W523 PolarHBondContact O-N 3.24Å; F511-F525 AromaticContact CD1-CE1 3.7Å; F511-F525 HydrophobicContact CD1-CE1 3.7Å; F511-F525 AromaticContact CD1-CE2 3.92Å; F511-F525 HydrophobicContact CD1-CE2 3.92Å; F511-F525 AromaticContact CD1-CZ 3.33Å; F511-F525 HydrophobicContact CD1-CZ 3.33Å; F511-F525 HydrophobicContact CE1-CD1 4.29Å; F511-F525 AromaticContact CE1-CE1 3.51Å; F511-F525 HydrophobicContact CE1-CE1 3.51Å; F511-F525 AromaticContact CE1-CZ 3.67Å; F511-F525 HydrophobicContact CE1-CZ 3.67Å; F511-F525 HydrophobicContact CG-CZ 4.41Å; F511-V540 HydrophobicContact CE1-CG1 3.54Å; F511-V540 HydrophobicContact CE1-CG2 4.12Å; F511-V540 HydrophobicContact CZ-CG1 3.63Å; F511-V540 HydrophobicContact CZ-CG2 4.37Å
512	V	93.4	Very high	91	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.9	178.9	168.5	0	0	0	0	110.3	M502 S503 V520 K521 F522 V555 Y557	M502-V512 CarbonylContact C-O 3.53Å; M502-V512 WeakPolarHBondContact CA-O 2.97Å; S503-V512 PolarHBondContact N-O 3.49Å; S503-V512 PolarHBondContact O-N 2.82Å; V512-V520 HydrophobicContact CG1-CG1 3.18Å; V512-K521 WeakPolarHBondContact CA-O 3.02Å; V512-F522 HydrophobicContact CG2-CD1 3.21Å; V512-F522 HydrophobicContact CG2-CE1 3.34Å; V512-F522 HydrophobicContact CG2-CG 3.87Å; V512-F522 HydrophobicContact CG2-CZ 4.09Å; V512-V555 HydrophobicContact CB-CG1 4.44Å; V512-V555 HydrophobicContact CG1-CB 4.45Å; V512-V555 HydrophobicContact CG1-CG1 3.65Å; V512-Y557 HydrophobicContact CB-CE2 3.77Å; V512-Y557 HydrophobicContact CG2-CE2 3.38Å; V512-Y557 WeakPolarHBondContact CG2-OH 3.47Å
513	T	93.8	Very high	91	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.4	173	59.2	0	0	0	0	110.5	L478 H495 L499 S501 M502 F511 V520 K521 W523	L478-T513 HydrophobicContact CD1-CG2 4.07Å; H495-T513 PolarHBondContact NE2-OG1 2.99Å; L499-T513 HydrophobicContact CD1-CG2 3.95Å; L499-T513 HydrophobicContact CD2-CG2 4.19Å; S501-T513 WeakPolarHBondContact O-CA 3.17Å; M502-T513 HydrophobicContact CB-CG2 4.46Å; F511-T513 HydrophobicContact CD2-CG2 3.96Å; F511-T513 HydrophobicContact CE2-CG2 3.63Å; T513-V520 CarbonylContact O-C 3.53Å; T513-V520 VanDerWaalsContact O-CA 3.28Å; T513-V520 WeakPolarHBondContact O-CA 3.42Å; T513-K521 PolarHBondContact N-O 3.25Å; T513-K521 PolarHBondContact O-N 3.36Å; T513-W523 PolarHBondContact OG1-NE1 3.02Å
514	G	93.4	Very high	91.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.1	170.5	0	0	0	0	0	110.6	W500 S501	W500-G514 PolarHBondContact N-O 2.88Å; S501-G514 PolarHBondContact N-O 2.99Å; S501-G514 PolarHBondContact O-N 3.28Å
515	G	92.3	Very high	91	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	160.6	-177.7	0	0	0	0	0	113.8	A498 D517 S519 V552	A498-G515 WeakPolarHBondContact O-CA 3.44Å; G515-D517 PolarHBondContact O-N 3.35Å; G515-S519 PolarHBondContact N-O 3.43Å; G515-S519 VanDerWaalsContact N-O 3.15Å; G515-V552 PolarHBondContact O-N 2.75Å
516	A	91.6	Very high	90.8	Very high	26 Å²	26	39.8 Å²	39.8	22%	0.215	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-0.5	169.1	0	0	0	0	0	113.5	A498 K518	A498-A516 HydrophobicContact CB-CB 4.46Å; A498-A516 PolarHBondContact O-N 3.28Å; A516-K518 PolarHBondContact O-N 2.64Å
517	D	91.2	Very high	90.6	Very high	37 Å²	37	42.7 Å²	42.7	20%	0.198	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	22	175.4	66.8	-4.1	0	0	0	112.4	H495 D496 G515 S519 K521	H495-D517 WeakPolarHBondContact CA-OD2 3.41Å; H495-D517 VanDerWaalsContact CB-OD2 3.29Å; H495-D517 WeakPolarHBondContact CB-OD2 3.48Å; H495-D517 IonicContact CE1-OD1 2.8Å; H495-D517 IonicContact CG-OD1 3.1Å; H495-D517 IonicContact CG-OD2 3.63Å; H495-D517 IonicContact ND1-OD1 2.92Å; H495-D517 PolarHBondContact ND1-OD1 3.42Å; H495-D517 IonicContact ND1-OD2 3.62Å; H495-D517 PolarHBondContact ND1-OD2 3.32Å; D496-D517 HydrophobicContact CB-CB 4.33Å; D496-D517 PolarHBondContact N-OD2 2.78Å; G515-D517 PolarHBondContact O-N 3.35Å; D517-S519 PolarHBondContact O-N 3.25Å; D517-S519 VanDerWaalsContact O-N 3.14Å; D517-S519 WeakPolarHBondContact OD1-CB 3.43Å; D517-S519 PolarHBondContact OD1-N 3.35Å; D517-S519 PolarHBondContact OD1-OG 3.13Å; D517-S519 PolarHBondContact OD2-OG 3.05Å; D517-K521 IonicContact OD2-NZ 3.64Å
518	K	92	Very high	90.4	Very high	73 Å²	73	40.8 Å²	40.8	32%	0.317	20%	0.196	S	C	.	.	S	Bend	trans	59.9	20.4	-179.7	-46.9	-176.6	167.6	-142.4	0	113.9	A516 L548 D549 E550 D551	A516-K518 PolarHBondContact O-N 2.64Å; K518-L548 WeakPolarHBondContact CB-O 3.48Å; K518-L548 PolarHBondContact O-N 2.84Å; K518-D549 WeakPolarHBondContact CD-O 3.11Å; K518-D549 PolarHBondContact NZ-O 2.81Å; K518-E550 WeakPolarHBondContact CA-O 3.41Å; K518-E550 IonicContact NZ-OE2 3.78Å; K518-E550 PolarHBondContact NZ-OE2 3.32Å; K518-D551 WeakPolarHBondContact CG-OD1 3.49Å
519	S	93.4	Very high	89.6	Confident	13 Å²	13	42.2 Å²	42.2	9%	0.091	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145.8	-177.6	79.2	0	0	0	0	112.5	H495 G515 D517 K521 L546	H495-S519 PolarHBondContact CE1-O 3.1Å; H495-S519 PolarHBondContact CE1-OG 2.67Å; H495-S519 VanDerWaalsContact CE1-OG 3.28Å; H495-S519 PolarHBondContact ND1-OG 2.85Å; G515-S519 PolarHBondContact N-O 3.43Å; G515-S519 VanDerWaalsContact N-O 3.15Å; D517-S519 PolarHBondContact O-N 3.25Å; D517-S519 VanDerWaalsContact O-N 3.14Å; D517-S519 WeakPolarHBondContact OD1-CB 3.43Å; D517-S519 PolarHBondContact OD1-N 3.35Å; D517-S519 PolarHBondContact OD1-OG 3.13Å; D517-S519 PolarHBondContact OD2-OG 3.05Å; S519-K521 WeakPolarHBondContact OG-CE 3.42Å; S519-L546 CarbonylContact C-O 3.58Å; S519-L546 WeakPolarHBondContact CA-O 3.3Å
520	V	93.8	Very high	88.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122	168.7	-179.5	0	0	0	0	107.4	V512 T513 F522 L546 L548 V552 V555 L564 V566	V512-V520 HydrophobicContact CG1-CG1 3.18Å; T513-V520 CarbonylContact O-C 3.53Å; T513-V520 VanDerWaalsContact O-CA 3.28Å; T513-V520 WeakPolarHBondContact O-CA 3.42Å; V520-F522 HydrophobicContact CG1-CE2 4.48Å; V520-L546 HydrophobicContact CB-CB 4.2Å; V520-L546 HydrophobicContact CB-CD2 4.29Å; V520-L546 HydrophobicContact CG2-CD2 4.46Å; V520-L546 PolarHBondContact N-O 3.26Å; V520-L546 PolarHBondContact O-N 2.8Å; V520-L548 HydrophobicContact CG2-CD1 3.87Å; V520-V552 HydrophobicContact CG2-CB 4.45Å; V520-V552 HydrophobicContact CG2-CG1 4.14Å; V520-V552 HydrophobicContact CG2-CG2 3.77Å; V520-V555 HydrophobicContact CG1-CG2 4.42Å; V520-V555 HydrophobicContact CG2-CG2 4.27Å; V520-L564 HydrophobicContact CG1-CD2 4.48Å; V520-V566 HydrophobicContact CG2-CG1 4.1Å; V520-V566 HydrophobicContact CG2-CG2 4.31Å
521	K	94	Very high	87.3	Confident	32 Å²	32	45.5 Å²	45.5	14%	0.139	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	140.3	-176.7	-64.3	179.5	-175.7	174.8	0	110.4	A494 V512 T513 D517 S519 W523 T545	A494-K521 WeakPolarHBondContact O-CD 3.37Å; A494-K521 WeakPolarHBondContact O-CE 3.29Å; A494-K521 PolarHBondContact O-NZ 3.38Å; V512-K521 WeakPolarHBondContact CA-O 3.02Å; T513-K521 PolarHBondContact N-O 3.25Å; T513-K521 PolarHBondContact O-N 3.36Å; D517-K521 IonicContact OD2-NZ 3.64Å; S519-K521 WeakPolarHBondContact OG-CE 3.42Å; K521-W523 HydrophobicContact CB-CZ2 4.14Å; K521-W523 HydrophobicContact CD-CZ2 4.24Å; K521-T545 HydrophobicContact CG-CG2 4.11Å
522	F	93.6	Very high	85.6	Confident	12 Å²	12	53.4 Å²	53.4	5%	0.053	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	137.2	179	-64.7	-101.7	0	0	0	109.7	V512 V520 Q542 T543 R544 L546 Y557 L564 L581	V512-F522 HydrophobicContact CG2-CD1 3.21Å; V512-F522 HydrophobicContact CG2-CE1 3.34Å; V512-F522 HydrophobicContact CG2-CG 3.87Å; V512-F522 HydrophobicContact CG2-CZ 4.09Å; V520-F522 HydrophobicContact CG1-CE2 4.48Å; F522-Q542 WeakPolarHBondContact O-CA 3.34Å; F522-T543 PolarHBondContact O-N 2.89Å; F522-T543 PolarHBondContact O-OG1 2.84Å; F522-R544 HydrophobicContact CB-CB 4.11Å; F522-R544 HydrophobicContact CD2-CB 3.82Å; F522-R544 HydrophobicContact CG-CB 4.18Å; F522-R544 PolarHBondContact N-O 2.68Å; F522-L546 HydrophobicContact CE2-CB 4.38Å; F522-Y557 WeakPolarHBondContact CD1-OH 3.3Å; F522-Y557 WeakPolarHBondContact CE1-OH 3.24Å; F522-L564 HydrophobicContact CE1-CD2 4.24Å; F522-L564 HydrophobicContact CZ-CD2 3.71Å; F522-L581 HydrophobicContact CE1-CD2 4.3Å; F522-L581 HydrophobicContact CE2-CD1 4.11Å; F522-L581 HydrophobicContact CE2-CD2 3.78Å; F522-L581 HydrophobicContact CZ-CD2 3.42Å; F522-L581 VanDerWaalsContact CZ-CD2 3.42Å
523	W	92.9	Very high	84.1	Confident	7 Å²	7	56 Å²	56	3%	0.027	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	131.2	-172.2	-59.8	96	0	0	0	110.3	I492 A494 G510 F511 T513 K521 V540 K541 Q542	I492-W523 HydrophobicContact CG2-CH2 3.99Å; I492-W523 HydrophobicContact CG2-CZ3 4.02Å; A494-W523 HydrophobicContact CB-CH2 4.04Å; A494-W523 HydrophobicContact CB-CZ2 3.56Å; G510-W523 CarbonylContact C-O 3.53Å; G510-W523 WeakPolarHBondContact CA-O 3.37Å; F511-W523 HydrophobicContact CD1-CB 3.97Å; F511-W523 HydrophobicContact CD2-CB 4.19Å; F511-W523 HydrophobicContact CD2-CG 4.38Å; F511-W523 HydrophobicContact CE1-CB 3.64Å; F511-W523 HydrophobicContact CE1-CG 4.37Å; F511-W523 HydrophobicContact CE2-CB 3.84Å; F511-W523 AromaticContact CE2-CD1 3.58Å; F511-W523 AromaticContact CE2-CG 3.78Å; F511-W523 HydrophobicContact CE2-CG 3.78Å; F511-W523 HydrophobicContact CG-CB 4.25Å; F511-W523 HydrophobicContact CZ-CB 3.58Å; F511-W523 AromaticContact CZ-CG 3.8Å; F511-W523 HydrophobicContact CZ-CG 3.8Å; F511-W523 PolarHBondContact N-O 2.99Å; F511-W523 PolarHBondContact O-N 3.24Å; T513-W523 PolarHBondContact OG1-NE1 3.02Å; K521-W523 HydrophobicContact CB-CZ2 4.14Å; K521-W523 HydrophobicContact CD-CZ2 4.24Å; W523-V540 HydrophobicContact CB-CG1 3.55Å; W523-V540 HydrophobicContact CD2-CG1 4.06Å; W523-V540 HydrophobicContact CE3-CG1 3.68Å; W523-V540 HydrophobicContact CG-CG1 4.05Å; W523-K541 CarbonylContact C-O 3.55Å; W523-K541 WeakPolarHBondContact CA-O 3.42Å; W523-Q542 HydrophobicContact CE3-CB 3.78Å; W523-Q542 HydrophobicContact CE3-CG 4.28Å; W523-Q542 HydrophobicContact CH2-CB 4.02Å; W523-Q542 HydrophobicContact CH2-CG 4.12Å; W523-Q542 HydrophobicContact CZ2-CG 4.37Å; W523-Q542 HydrophobicContact CZ3-CB 3.54Å; W523-Q542 HydrophobicContact CZ3-CG 4.09Å
524	D	91.5	Very high	82.4	Confident	68 Å²	68	63.3 Å²	63.3	36%	0.364	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	145.1	174.4	-72.9	-2.3	0	0	0	110.3	K541 T543	D524-K541 PolarHBondContact N-O 2.95Å; D524-K541 PolarHBondContact O-N 3.05Å; D524-T543 HydrophobicContact CB-CG2 4.2Å; D524-T543 VanDerWaalsContact OD2-CG2 3.22Å; D524-T543 WeakPolarHBondContact OD2-CG2 3.41Å
525	F	89.5	Confident	80.9	Confident	35 Å²	35	69.2 Å²	69.2	15%	0.154	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	119.6	174.5	-65.5	-60.1	0	0	0	110.5	F461 V463 V470 L504 R509 F511 L538 V540	F461-F525 AromaticContact CE2-CZ 3.88Å; F461-F525 HydrophobicContact CE2-CZ 3.88Å; F461-F525 AromaticContact CZ-CZ 3.95Å; F461-F525 HydrophobicContact CZ-CZ 3.95Å; V463-F525 HydrophobicContact CG1-CE1 4.2Å; V463-F525 HydrophobicContact CG1-CE2 4.29Å; V463-F525 HydrophobicContact CG1-CZ 4.06Å; V463-F525 HydrophobicContact CG2-CE1 4.1Å; V463-F525 HydrophobicContact CG2-CZ 4.11Å; V470-F525 HydrophobicContact CG2-CE1 4.3Å; L504-F525 HydrophobicContact CD1-CE2 3.87Å; L504-F525 HydrophobicContact CD1-CZ 4.38Å; R509-F525 WeakPolarHBondContact O-CB 3.44Å; R509-F525 VanDerWaalsContact O-CD2 3.29Å; R509-F525 WeakPolarHBondContact O-CD2 3.33Å; R509-F525 PolarHBondContact O-N 3.03Å; F511-F525 AromaticContact CD1-CE1 3.7Å; F511-F525 HydrophobicContact CD1-CE1 3.7Å; F511-F525 AromaticContact CD1-CE2 3.92Å; F511-F525 HydrophobicContact CD1-CE2 3.92Å; F511-F525 AromaticContact CD1-CZ 3.33Å; F511-F525 HydrophobicContact CD1-CZ 3.33Å; F511-F525 HydrophobicContact CE1-CD1 4.29Å; F511-F525 AromaticContact CE1-CE1 3.51Å; F511-F525 HydrophobicContact CE1-CE1 3.51Å; F511-F525 AromaticContact CE1-CZ 3.67Å; F511-F525 HydrophobicContact CE1-CZ 3.67Å; F511-F525 HydrophobicContact CG-CZ 4.41Å; F525-L538 HydrophobicContact CB-CD1 4.07Å; F525-L538 HydrophobicContact CB-CD2 4.38Å; F525-L538 HydrophobicContact CB-CG 4.41Å; F525-L538 HydrophobicContact CD1-CD2 3.61Å; F525-L538 HydrophobicContact CD1-CG 4.22Å; F525-L538 HydrophobicContact CE1-CD2 4.16Å; F525-L538 HydrophobicContact CG-CD2 4.17Å; F525-V540 HydrophobicContact CD1-CG2 4.14Å; F525-V540 HydrophobicContact CE1-CG2 4.19Å
526	E	85	Confident	79.7	Confident	78 Å²	78	75.1 Å²	75.1	36%	0.364	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	138.9	173.9	-71.7	-172.3	172.3	0	0	110.3	L538 S539 K541	E526-L538 CarbonylContact O-C 3.45Å; E526-L538 WeakPolarHBondContact O-CA 3.46Å; E526-S539 PolarHBondContact N-O 3.02Å; E526-S539 PolarHBondContact O-N 2.78Å; E526-S539 VanDerWaalsContact O-O 3.07Å; E526-S539 PolarHBondContact O-OG 3.48Å; E526-K541 VanDerWaalsContact CD-CD 3.44Å; E526-K541 HydrophobicContact CG-CB 4.45Å; E526-K541 WeakPolarHBondContact OE1-CD 3.44Å; E526-K541 IonicContact OE1-NZ 3.48Å; E526-K541 PolarHBondContact OE1-NZ 2.86Å; E526-K541 WeakPolarHBondContact OE2-CD 3.44Å; E526-K541 IonicContact OE2-NZ 2.68Å
527	L	80.9	Confident	78.8	Confident	112 Å²	112	78.3 Å²	78.3	59%	0.586	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	99.2	174.4	-77.7	161	0	0	0	109.7	K536 R537 L538	L527-K536 HydrophobicContact CB-CB 4.45Å; L527-K536 HydrophobicContact CB-CD 4.5Å; L527-K536 HydrophobicContact CD2-CB 4.12Å; L527-R537 CarbonylContact C-O 3.6Å; L527-R537 WeakPolarHBondContact CA-O 3.46Å; L527-L538 HydrophobicContact CD2-CB 4.47Å; L527-L538 HydrophobicContact CD2-CD1 3.71Å; L527-L538 HydrophobicContact CG-CD1 3.84Å
528	V	79.3	Confident	78.3	Confident	49 Å²	49	77.5 Å²	77.5	30%	0.297	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	137	176.4	175.2	0	0	0	0	110	K536 R537 S539	V528-K536 CarbonylContact O-C 3.56Å; V528-K536 WeakPolarHBondContact O-CA 3.47Å; V528-R537 HydrophobicContact CB-CG 4.11Å; V528-R537 PolarHBondContact N-O 3.05Å; V528-R537 WeakPolarHBondContact O-CG 3.31Å; V528-R537 PolarHBondContact O-N 2.99Å; V528-R537 VanDerWaalsContact O-O 3.06Å; V528-S539 WeakPolarHBondContact CG2-OG 3.41Å
529	K	69.1	Low	77.9	Confident	153 Å²	153	74.6 Å²	74.6	67%	0.665	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	126.8	170.3	-72.7	178.8	-179.9	-178.9	0	108.6	K536	K529-K536 HydrophobicContact CG-CG 3.76Å
530	D	67.4	Low	77.6	Confident	65 Å²	65	74.6 Å²	74.6	35%	0.348	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-77.6	139.9	170	-97.9	-36.4	0	0	0	111	N532 S533 R537	D530-N532 PolarHBondContact O-N 3.06Å; D530-S533 PolarHBondContact O-N 2.92Å; D530-R537 IonicContact OD1-CZ 3.32Å; D530-R537 VanDerWaalsContact OD1-CZ 3.3Å; D530-R537 IonicContact OD1-NH1 2.82Å; D530-R537 PolarHBondContact OD1-NH1 2.84Å; D530-R537 IonicContact OD1-NH2 3.79Å; D530-R537 WeakPolarHBondContact OD2-CD 3.33Å; D530-R537 IonicContact OD2-CZ 3.68Å; D530-R537 IonicContact OD2-NE 3.04Å; D530-R537 IonicContact OD2-NH1 3.14Å; D530-R537 PolarHBondContact OD2-NH1 3.35Å
531	E	61	Low	77.3	Confident	194 Å²	194	79.7 Å²	79.7	91%	0.907	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.8	-175.5	-64.3	-174.8	160	0	0	113.3
532	N	59.5	Low	77.1	Confident	168 Å²	168	82.2 Å²	82.2	90%	0.898	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	3.6	-176.9	-72.4	-23	0	0	0	114.7	D530	D530-N532 PolarHBondContact O-N 3.06Å
533	S	61.1	Low	76.8	Confident	55 Å²	55	84.8 Å²	84.8	39%	0.385	43%	0.426	S	S	.	.			trans	-142.5	139.1	-177.2	149	0	0	0	0	111.5	D530 Q535	D530-S533 PolarHBondContact O-N 2.92Å; S533-Q535 PolarHBondContact O-N 2.98Å; S533-Q535 WeakPolarHBondContact OG-CB 3.42Å; S533-Q535 PolarHBondContact OG-N 3.11Å
534	T	58.4	Low	76.6	Confident	152 Å²	152	90.4 Å²	90.4	93%	0.933	45%	0.447	S	S	*	.	S	Bend	trans	-70	-8	173.9	54.2	0	0	0	0	113.5
535	Q	61.4	Low	76.7	Confident	125 Å²	125	91.2 Å²	91.2	58%	0.584	45%	0.454	S	S	*	.	S	Bend	trans	-85	127.9	179.4	-57.7	-170.2	1.7	0	0	111.1	S533 R537	S533-Q535 PolarHBondContact O-N 2.98Å; S533-Q535 WeakPolarHBondContact OG-CB 3.42Å; S533-Q535 PolarHBondContact OG-N 3.11Å; Q535-R537 PolarHBondContact O-N 3.1Å
536	K	67.9	Low	76.8	Confident	124 Å²	124	90.5 Å²	90.5	54%	0.539	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	120.6	167.1	-65.2	176.1	179.7	-178.4	0	108.2	L527 V528 K529	L527-K536 HydrophobicContact CB-CB 4.45Å; L527-K536 HydrophobicContact CB-CD 4.5Å; L527-K536 HydrophobicContact CD2-CB 4.12Å; V528-K536 CarbonylContact O-C 3.56Å; V528-K536 WeakPolarHBondContact O-CA 3.47Å; K529-K536 HydrophobicContact CG-CG 3.76Å
537	R	71.5	Confident	77.1	Confident	93 Å²	93	94.8 Å²	94.8	35%	0.351	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	146.4	168.7	69	169.1	-173	-135.8	-3.2	109.6	E490 L527 V528 D530 Q535	E490-R537 IonicContact OE1-CZ 2.67Å; E490-R537 IonicContact OE1-NE 2.85Å; E490-R537 PolarHBondContact OE1-NE 3.44Å; L527-R537 CarbonylContact C-O 3.6Å; L527-R537 WeakPolarHBondContact CA-O 3.46Å; V528-R537 HydrophobicContact CB-CG 4.11Å; V528-R537 PolarHBondContact N-O 3.05Å; V528-R537 WeakPolarHBondContact O-CG 3.31Å; V528-R537 PolarHBondContact O-N 2.99Å; V528-R537 VanDerWaalsContact O-O 3.06Å; D530-R537 IonicContact OD1-CZ 3.32Å; D530-R537 VanDerWaalsContact OD1-CZ 3.3Å; D530-R537 IonicContact OD1-NH1 2.82Å; D530-R537 PolarHBondContact OD1-NH1 2.84Å; D530-R537 IonicContact OD1-NH2 3.79Å; D530-R537 WeakPolarHBondContact OD2-CD 3.33Å; D530-R537 IonicContact OD2-CZ 3.68Å; D530-R537 IonicContact OD2-NE 3.04Å; D530-R537 IonicContact OD2-NH1 3.14Å; D530-R537 PolarHBondContact OD2-NH1 3.35Å; Q535-R537 PolarHBondContact O-N 3.1Å
538	L	80.6	Confident	77.6	Confident	19 Å²	19	90.2 Å²	90.2	10%	0.099	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	131.9	167.4	-161.2	74.3	0	0	0	107.2	V463 L480 F525 E526 L527	V463-L538 HydrophobicContact CG1-CD2 3.76Å; L480-L538 HydrophobicContact CD2-CB 4.41Å; L480-L538 VanDerWaalsContact CD2-O 3.26Å; L480-L538 WeakPolarHBondContact CD2-O 2.91Å; F525-L538 HydrophobicContact CB-CD1 4.07Å; F525-L538 HydrophobicContact CB-CD2 4.38Å; F525-L538 HydrophobicContact CB-CG 4.41Å; F525-L538 HydrophobicContact CD1-CD2 3.61Å; F525-L538 HydrophobicContact CD1-CG 4.22Å; F525-L538 HydrophobicContact CE1-CD2 4.16Å; F525-L538 HydrophobicContact CG-CD2 4.17Å; E526-L538 CarbonylContact O-C 3.45Å; E526-L538 WeakPolarHBondContact O-CA 3.46Å; L527-L538 HydrophobicContact CD2-CB 4.47Å; L527-L538 HydrophobicContact CD2-CD1 3.71Å; L527-L538 HydrophobicContact CG-CD1 3.84Å
539	S	83.6	Confident	78.1	Confident	13 Å²	13	93.2 Å²	93.2	9%	0.091	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	157.8	170.4	59.3	0	0	0	0	109	E490 E526 V528	E490-S539 VanDerWaalsContact OE1-CB 3.31Å; E490-S539 WeakPolarHBondContact OE1-CB 3.21Å; E490-S539 VanDerWaalsContact OE2-CA 3.29Å; E490-S539 WeakPolarHBondContact OE2-CA 3.41Å; E490-S539 VanDerWaalsContact OE2-CB 3.3Å; E490-S539 WeakPolarHBondContact OE2-CB 3.37Å; E526-S539 PolarHBondContact N-O 3.02Å; E526-S539 PolarHBondContact O-N 2.78Å; E526-S539 VanDerWaalsContact O-O 3.07Å; E526-S539 PolarHBondContact O-OG 3.48Å; V528-S539 WeakPolarHBondContact CG2-OG 3.41Å
540	V	86.9	Confident	79.2	Confident	13 Å²	13	89.4 Å²	89.4	8%	0.079	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.9	179.5	-172.6	0	0	0	0	109.5	L478 I492 F511 W523 F525	L478-V540 HydrophobicContact CD2-CG2 4.46Å; I492-V540 HydrophobicContact CD1-CB 3.84Å; F511-V540 HydrophobicContact CE1-CG1 3.54Å; F511-V540 HydrophobicContact CE1-CG2 4.12Å; F511-V540 HydrophobicContact CZ-CG1 3.63Å; F511-V540 HydrophobicContact CZ-CG2 4.37Å; W523-V540 HydrophobicContact CB-CG1 3.55Å; W523-V540 HydrophobicContact CD2-CG1 4.06Å; W523-V540 HydrophobicContact CE3-CG1 3.68Å; W523-V540 HydrophobicContact CG-CG1 4.05Å; F525-V540 HydrophobicContact CD1-CG2 4.14Å; F525-V540 HydrophobicContact CE1-CG2 4.19Å
541	K	88.7	Confident	80.4	Confident	107 Å²	107	88.4 Å²	88.4	47%	0.465	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.7	178.6	-174	-179.5	179.5	178.9	0	111.4	W523 D524 E526	W523-K541 CarbonylContact C-O 3.55Å; W523-K541 WeakPolarHBondContact CA-O 3.42Å; D524-K541 PolarHBondContact N-O 2.95Å; D524-K541 PolarHBondContact O-N 3.05Å; E526-K541 VanDerWaalsContact CD-CD 3.44Å; E526-K541 HydrophobicContact CG-CB 4.45Å; E526-K541 WeakPolarHBondContact OE1-CD 3.44Å; E526-K541 IonicContact OE1-NZ 3.48Å; E526-K541 PolarHBondContact OE1-NZ 2.86Å; E526-K541 WeakPolarHBondContact OE2-CD 3.44Å; E526-K541 IonicContact OE2-NZ 2.68Å
542	Q	88.4	Confident	82	Confident	85 Å²	85	79.1 Å²	79.1	40%	0.397	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	125.8	176.5	-164.3	-179.5	-19.9	0	0	110.5	F522 W523	F522-Q542 WeakPolarHBondContact O-CA 3.34Å; W523-Q542 HydrophobicContact CE3-CB 3.78Å; W523-Q542 HydrophobicContact CE3-CG 4.28Å; W523-Q542 HydrophobicContact CH2-CB 4.02Å; W523-Q542 HydrophobicContact CH2-CG 4.12Å; W523-Q542 HydrophobicContact CZ2-CG 4.37Å; W523-Q542 HydrophobicContact CZ3-CB 3.54Å; W523-Q542 HydrophobicContact CZ3-CG 4.09Å
543	T	88.5	Confident	83.5	Confident	66 Å²	66	72.7 Å²	72.7	41%	0.405	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-47.5	179.2	36.7	0	0	0	0	113.3	F522 D524	F522-T543 PolarHBondContact O-N 2.89Å; F522-T543 PolarHBondContact O-OG1 2.84Å; D524-T543 HydrophobicContact CB-CG2 4.2Å; D524-T543 VanDerWaalsContact OD2-CG2 3.22Å; D524-T543 WeakPolarHBondContact OD2-CG2 3.41Å
544	R	89.4	Confident	85	Confident	124 Å²	124	71 Å²	71	47%	0.468	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	156.5	-173.8	-57.6	-179.6	-171.7	179.5	-0.2	111.6	F522 D579	F522-R544 HydrophobicContact CB-CB 4.11Å; F522-R544 HydrophobicContact CD2-CB 3.82Å; F522-R544 HydrophobicContact CG-CB 4.18Å; F522-R544 PolarHBondContact N-O 2.68Å; R544-D579 PolarHBondContact NH1-O 2.85Å
545	T	92	Very high	86.7	Confident	85 Å²	85	64 Å²	64	52%	0.521	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	140.8	170.8	69	0	0	0	0	109.8	K521	K521-T545 HydrophobicContact CG-CG2 4.11Å
546	L	91.9	Very high	88.2	Confident	20 Å²	20	58.6 Å²	58.6	11%	0.105	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	118.4	171.7	177.6	83.1	0	0	0	107	S519 V520 F522 L548 F576 L581	S519-L546 CarbonylContact C-O 3.58Å; S519-L546 WeakPolarHBondContact CA-O 3.3Å; V520-L546 HydrophobicContact CB-CB 4.2Å; V520-L546 HydrophobicContact CB-CD2 4.29Å; V520-L546 HydrophobicContact CG2-CD2 4.46Å; V520-L546 PolarHBondContact N-O 3.26Å; V520-L546 PolarHBondContact O-N 2.8Å; F522-L546 HydrophobicContact CE2-CB 4.38Å; L546-L548 HydrophobicContact CD2-CD1 4.24Å; L546-L548 HydrophobicContact CD2-CD2 4.08Å; L546-L548 HydrophobicContact CD2-CG 4.26Å; L546-L548 HydrophobicContact CG-CD2 4.29Å; L546-L548 HydrophobicContact CG-CG 4.4Å; L546-F576 HydrophobicContact CD1-CE1 4.44Å; L546-F576 HydrophobicContact CD2-CD2 4.09Å; L546-F576 HydrophobicContact CD2-CE2 3.98Å; L546-F576 HydrophobicContact CD2-CG 4.42Å; L546-F576 HydrophobicContact CD2-CZ 4.23Å; L546-L581 HydrophobicContact CD1-CB 4.15Å; L546-L581 HydrophobicContact CD1-CD1 4.46Å
547	Q	92.1	Very high	89.3	Confident	168 Å²	168	53.7 Å²	53.7	79%	0.785	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	134.7	177.4	-166.9	164	5.9	0	0	109.7
548	L	91.6	Very high	90.3	Very high	16 Å²	16	49.4 Å²	49.4	8%	0.084	25%	0.247	C	C	.	.			trans	-123.1	169.6	-176.8	-63.1	170.1	0	0	0	109.9	K518 V520 L546 V552 V566 L568 F576	K518-L548 WeakPolarHBondContact CB-O 3.48Å; K518-L548 PolarHBondContact O-N 2.84Å; V520-L548 HydrophobicContact CG2-CD1 3.87Å; L546-L548 HydrophobicContact CD2-CD1 4.24Å; L546-L548 HydrophobicContact CD2-CD2 4.08Å; L546-L548 HydrophobicContact CD2-CG 4.26Å; L546-L548 HydrophobicContact CG-CD2 4.29Å; L546-L548 HydrophobicContact CG-CG 4.4Å; L548-V552 HydrophobicContact CD1-CG2 3.64Å; L548-V566 HydrophobicContact CD1-CG1 3.68Å; L548-L568 HydrophobicContact CB-CD2 4.21Å; L548-L568 HydrophobicContact CD1-CD2 3.95Å; L548-F576 HydrophobicContact CD2-CE2 4.02Å; L548-F576 HydrophobicContact CD2-CZ 3.63Å
549	D	88.7	Confident	90.6	Very high	112 Å²	112	50.6 Å²	50.6	60%	0.599	26%	0.256	S	S	*	.	S	Bend	trans	-78.1	-26.1	-174.4	-50	-52.6	0	0	0	112.4	K518 K574	K518-D549 WeakPolarHBondContact CD-O 3.11Å; K518-D549 PolarHBondContact NZ-O 2.81Å; D549-K574 IonicContact OD2-NZ 2.97Å; D549-K574 PolarHBondContact OD2-NZ 2.94Å
550	E	92.4	Very high	90.8	Very high	74 Å²	74	55.3 Å²	55.3	35%	0.346	28%	0.28	S	S	.	.	S	Bend	trans	-140	171.6	-174.2	-65.6	-62.6	178.7	0	0	112.4	K518 L568 D570	K518-E550 WeakPolarHBondContact CA-O 3.41Å; K518-E550 IonicContact NZ-OE2 3.78Å; K518-E550 PolarHBondContact NZ-OE2 3.32Å; E550-L568 WeakPolarHBondContact O-CD2 3.46Å; E550-D570 HydrophobicContact CG-CB 4.28Å
551	D	93.2	Very high	90.8	Very high	43 Å²	43	57.1 Å²	57.1	23%	0.23	29%	0.288	C	S	.	.			trans	-64	139.2	-177.5	-61.4	2.4	0	0	0	111.3	K518 L568 L569	K518-D551 WeakPolarHBondContact CG-OD1 3.49Å; D551-L568 WeakPolarHBondContact O-CA 3.33Å; D551-L569 HydrophobicContact CB-CB 4.23Å; D551-L569 HydrophobicContact CB-CD2 4.37Å; D551-L569 PolarHBondContact O-N 2.83Å
552	V	93.6	Very high	90.8	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.5	-179	179	0	0	0	0	109.6	W500 G515 V520 L548 V555 V566 L568	W500-V552 VanDerWaalsContact CD1-O 3.28Å; G515-V552 PolarHBondContact O-N 2.75Å; V520-V552 HydrophobicContact CG2-CB 4.45Å; V520-V552 HydrophobicContact CG2-CG1 4.14Å; V520-V552 HydrophobicContact CG2-CG2 3.77Å; L548-V552 HydrophobicContact CD1-CG2 3.64Å; V552-V555 HydrophobicContact CG1-CG2 3.49Å; V552-V555 VanDerWaalsContact CG1-CG2 3.49Å; V552-V566 HydrophobicContact CB-CG1 4.37Å; V552-V566 HydrophobicContact CG1-CG1 3.56Å; V552-V566 HydrophobicContact CG2-CG1 3.94Å; V552-L568 HydrophobicContact CG2-CD2 3.98Å
553	L	92.3	Very high	91	Very high	32 Å²	32	54.7 Å²	54.7	17%	0.168	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-54.5	178.7	-63.7	175.4	0	0	0	111.1	W500 S501 S567 L569 P593	W500-L553 WeakPolarHBondContact CB-O 3.39Å; S501-L553 WeakPolarHBondContact CB-O 3.18Å; S501-L553 PolarHBondContact OG-O 3.34Å; S501-L553 VanDerWaalsContact OG-O 3.1Å; L553-S567 PolarHBondContact N-O 2.91Å; L553-L569 HydrophobicContact CD1-CD1 4.23Å; L553-P593 HydrophobicContact CD1-CB 3.76Å
554	C	92.2	Very high	91.3	Very high	20 Å²	20	51.6 Å²	51.6	14%	0.135	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.2	-176.2	-165.6	0	0	0	0	111.2	S501 S567	S501-C554 VanDerWaalsContact OG-CA 3.31Å; S501-C554 WeakPolarHBondContact OG-CA 3.16Å; C554-S567 WeakPolarHBondContact CA-OG 3.48Å; C554-S567 WeakPolarHBondContact CB-OG 3.44Å; C554-S567 PolarHBondContact N-OG 3.41Å; C554-S567 PolarHBondContact O-N 2.82Å; C554-S567 PolarHBondContact O-OG 3.2Å
555	V	93.4	Very high	91.5	Very high	6 Å²	6	45.7 Å²	45.7	4%	0.036	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	133	173.9	-177	0	0	0	0	108.4	S501 V512 V520 V552 L564 A565 V566	S501-V555 PolarHBondContact OG-N 3.18Å; V512-V555 HydrophobicContact CB-CG1 4.44Å; V512-V555 HydrophobicContact CG1-CB 4.45Å; V512-V555 HydrophobicContact CG1-CG1 3.65Å; V520-V555 HydrophobicContact CG1-CG2 4.42Å; V520-V555 HydrophobicContact CG2-CG2 4.27Å; V552-V555 HydrophobicContact CG1-CG2 3.49Å; V552-V555 VanDerWaalsContact CG1-CG2 3.49Å; V555-L564 HydrophobicContact CG1-CD1 3.59Å; V555-L564 HydrophobicContact CG1-CG 4.17Å; V555-A565 WeakPolarHBondContact CA-O 3.22Å; V555-V566 HydrophobicContact CG1-CG2 4.4Å; V555-V566 HydrophobicContact CG2-CG1 4.31Å; V555-V566 HydrophobicContact CG2-CG2 4.42Å
556	S	92.6	Very high	91.6	Very high	11 Å²	11	41.6 Å²	41.6	8%	0.077	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	137.6	176	-177.8	0	0	0	0	111.1	A565	S556-A565 PolarHBondContact N-O 3.21Å; S556-A565 PolarHBondContact O-N 3.19Å
557	Y	92.6	Very high	91.7	Very high	20 Å²	20	40.7 Å²	40.7	8%	0.078	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	141	171.9	-88.7	-70.6	0	0	0	111	S503 L504 V512 F522 L564 V578	S503-Y557 PolarHBondContact OG-N 3.36Å; L504-Y557 WeakPolarHBondContact O-CD2 3.43Å; V512-Y557 HydrophobicContact CB-CE2 3.77Å; V512-Y557 HydrophobicContact CG2-CE2 3.38Å; V512-Y557 WeakPolarHBondContact CG2-OH 3.47Å; F522-Y557 WeakPolarHBondContact CD1-OH 3.3Å; F522-Y557 WeakPolarHBondContact CE1-OH 3.24Å; Y557-L564 HydrophobicContact CD1-CD1 3.83Å; Y557-L564 HydrophobicContact CD2-CD1 4.35Å; Y557-L564 HydrophobicContact CE1-CD1 3.87Å; Y557-L564 HydrophobicContact CE2-CD1 4.39Å; Y557-L564 HydrophobicContact CG-CD1 4.1Å; Y557-V578 HydrophobicContact CD1-CG2 3.89Å; Y557-V578 HydrophobicContact CE1-CB 4.45Å; Y557-V578 HydrophobicContact CE1-CG1 3.89Å; Y557-V578 HydrophobicContact CE1-CG2 3.61Å
558	S	91.2	Very high	91.8	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.021	17%	0.168	C	C	.	.			trans	-64.2	139.9	162.8	69.1	0	0	0	0	109.5	P506 N560 Q561 K562 L563	P506-S558 VanDerWaalsContact CG-O 3.24Å; P506-S558 WeakPolarHBondContact CG-O 3.47Å; S558-N560 PolarHBondContact O-N 2.67Å; S558-N560 VanDerWaalsContact O-N 3.13Å; S558-Q561 WeakPolarHBondContact O-CA 3.21Å; S558-Q561 PolarHBondContact O-N 2.9Å; S558-Q561 PolarHBondContact OG-N 2.84Å; S558-K562 PolarHBondContact OG-N 2.93Å; S558-K562 VanDerWaalsContact OG-N 3.14Å; S558-L563 WeakPolarHBondContact CB-O 3.18Å; S558-L563 PolarHBondContact N-O 3.4Å; S558-L563 PolarHBondContact OG-N 3.1Å; S558-L563 PolarHBondContact OG-O 3.32Å; S558-L563 VanDerWaalsContact OG-O 3.06Å
559	P	87.8	Confident	91.8	Very high	45 Å²	45	35.6 Å²	35.6	29%	0.292	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-26.8	177.1	-29.6	38.5	0	0	0	114.2	P506 Q561 S600 Y601	P506-P559 VanDerWaalsContact CB-O 3.25Å; P506-P559 WeakPolarHBondContact CB-O 3.1Å; P506-P559 WeakPolarHBondContact CG-O 3.27Å; P559-Q561 VanDerWaalsContact C-N 3.25Å; P559-Q561 PolarHBondContact O-N 2.88Å; P559-S600 WeakPolarHBondContact CG-O 3.46Å; P559-Y601 WeakPolarHBondContact CB-O 3.39Å
560	N	86.8	Confident	92	Very high	111 Å²	111	33.2 Å²	33.2	59%	0.594	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	5.1	174.7	-62.2	-28.7	0	0	0	113.6	S558 K562 D602	S558-N560 PolarHBondContact O-N 2.67Å; S558-N560 VanDerWaalsContact O-N 3.13Å; N560-K562 PolarHBondContact O-N 3.36Å; N560-D602 PolarHBondContact ND2-O 3.26Å
561	Q	87.2	Confident	92	Very high	51 Å²	51	31 Å²	31	24%	0.238	16%	0.163	C	C	.	.	S	Bend	trans	58.1	1	-177.9	-163.7	-179.6	2	0	0	116.3	P506 D507 S558 P559 V578	P506-Q561 HydrophobicContact CG-CB 4.16Å; D507-Q561 VanDerWaalsContact CG-CD 3.44Å; D507-Q561 VanDerWaalsContact CG-NE2 3.29Å; D507-Q561 PolarHBondContact OD1-OE1 3.47Å; D507-Q561 VanDerWaalsContact OD2-CD 3.26Å; D507-Q561 PolarHBondContact OD2-NE2 2.81Å; D507-Q561 PolarHBondContact OD2-OE1 2.91Å; S558-Q561 WeakPolarHBondContact O-CA 3.21Å; S558-Q561 PolarHBondContact O-N 2.9Å; S558-Q561 PolarHBondContact OG-N 2.84Å; P559-Q561 VanDerWaalsContact C-N 3.25Å; P559-Q561 PolarHBondContact O-N 2.88Å; Q561-V578 VanDerWaalsContact O-CB 3.25Å; Q561-V578 WeakPolarHBondContact O-CB 3.32Å; Q561-V578 WeakPolarHBondContact O-CG2 3.37Å
562	K	89.9	Confident	92	Very high	125 Å²	125	29.4 Å²	29.4	54%	0.543	16%	0.155	S	C	.	.	S	Bend	trans	-70.8	-40.3	-177.8	-174.7	177.2	173.8	-175.3	0	112.8	S558 N560 Y577 V578	S558-K562 PolarHBondContact OG-N 2.93Å; S558-K562 VanDerWaalsContact OG-N 3.14Å; N560-K562 PolarHBondContact O-N 3.36Å; K562-Y577 HydrophobicContact CG-CD1 4.27Å; K562-Y577 HydrophobicContact CG-CE1 4.26Å; K562-V578 PolarHBondContact O-N 2.89Å
563	L	92.6	Very high	92	Very high	17 Å²	17	29.4 Å²	29.4	9%	0.089	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	148.8	-171.2	-58.2	172.2	0	0	0	111.3	S558 I575 F576 Y577 F584 L620	S558-L563 WeakPolarHBondContact CB-O 3.18Å; S558-L563 PolarHBondContact N-O 3.4Å; S558-L563 PolarHBondContact OG-N 3.1Å; S558-L563 PolarHBondContact OG-O 3.32Å; S558-L563 VanDerWaalsContact OG-O 3.06Å; L563-I575 HydrophobicContact CB-CG2 4.09Å; L563-I575 HydrophobicContact CD1-CG2 4.42Å; L563-I575 HydrophobicContact CD2-CG2 4.12Å; L563-I575 HydrophobicContact CG-CG2 4.43Å; L563-F576 CarbonylContact C-O 3.53Å; L563-F576 WeakPolarHBondContact CA-O 3.15Å; L563-Y577 HydrophobicContact CD2-CD1 3.76Å; L563-Y577 HydrophobicContact CD2-CE1 3.68Å; L563-Y577 HydrophobicContact CD2-CG 4.37Å; L563-F584 HydrophobicContact CD1-CE1 4.44Å; L563-F584 HydrophobicContact CD2-CD1 3.9Å; L563-F584 HydrophobicContact CD2-CE1 4.38Å; L563-L620 HydrophobicContact CD1-CD2 3.56Å
564	L	93.3	Very high	92.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.8	172	-177.1	74.5	0	0	0	107.9	V520 F522 V555 Y557 V566 I575 F576 V578	V520-L564 HydrophobicContact CG1-CD2 4.48Å; F522-L564 HydrophobicContact CE1-CD2 4.24Å; F522-L564 HydrophobicContact CZ-CD2 3.71Å; V555-L564 HydrophobicContact CG1-CD1 3.59Å; V555-L564 HydrophobicContact CG1-CG 4.17Å; Y557-L564 HydrophobicContact CD1-CD1 3.83Å; Y557-L564 HydrophobicContact CD2-CD1 4.35Å; Y557-L564 HydrophobicContact CE1-CD1 3.87Å; Y557-L564 HydrophobicContact CE2-CD1 4.39Å; Y557-L564 HydrophobicContact CG-CD1 4.1Å; L564-V566 HydrophobicContact CD2-CG2 4.12Å; L564-V566 HydrophobicContact CG-CG2 4.17Å; L564-I575 CarbonylContact O-C 3.54Å; L564-I575 WeakPolarHBondContact O-CA 3.27Å; L564-F576 HydrophobicContact CB-CB 4.49Å; L564-F576 PolarHBondContact N-O 2.78Å; L564-F576 PolarHBondContact O-N 2.82Å; L564-V578 HydrophobicContact CB-CG2 3.94Å
565	A	94.3	Very high	92.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.5	173.7	0	0	0	0	0	109.8	V555 S556 V573 I575 M597 I599 I606	V555-A565 WeakPolarHBondContact CA-O 3.22Å; S556-A565 PolarHBondContact N-O 3.21Å; S556-A565 PolarHBondContact O-N 3.19Å; A565-V573 HydrophobicContact CB-CG1 4.46Å; A565-I575 HydrophobicContact CB-CG1 4.28Å; A565-M597 VanDerWaalsContact C-CE 3.43Å; A565-M597 HydrophobicContact CB-CE 3.39Å; A565-M597 HydrophobicContact CB-SD 3.71Å; A565-M597 WeakPolarHBondContact O-CE 3.47Å; A565-I599 HydrophobicContact CB-CD1 4Å; A565-I606 HydrophobicContact CB-CD1 3.59Å
566	V	94.1	Very high	92.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	123.8	-179.8	-176.8	0	0	0	0	108.9	V520 L548 V552 V555 L564 L568 V573 K574 F576	V520-V566 HydrophobicContact CG2-CG1 4.1Å; V520-V566 HydrophobicContact CG2-CG2 4.31Å; L548-V566 HydrophobicContact CD1-CG1 3.68Å; V552-V566 HydrophobicContact CB-CG1 4.37Å; V552-V566 HydrophobicContact CG1-CG1 3.56Å; V552-V566 HydrophobicContact CG2-CG1 3.94Å; V555-V566 HydrophobicContact CG1-CG2 4.4Å; V555-V566 HydrophobicContact CG2-CG1 4.31Å; V555-V566 HydrophobicContact CG2-CG2 4.42Å; L564-V566 HydrophobicContact CD2-CG2 4.12Å; L564-V566 HydrophobicContact CG-CG2 4.17Å; V566-L568 HydrophobicContact CG1-CD2 4.49Å; V566-V573 CarbonylContact O-C 3.58Å; V566-V573 WeakPolarHBondContact O-CA 3.26Å; V566-K574 PolarHBondContact N-O 2.97Å; V566-K574 PolarHBondContact O-N 3.44Å; V566-F576 HydrophobicContact CB-CE2 4.47Å; V566-F576 HydrophobicContact CG2-CD2 4.15Å; V566-F576 HydrophobicContact CG2-CE2 4.3Å
567	S	93.9	Very high	92.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	136.4	171.3	76.5	0	0	0	0	111.2	L553 C554 V594	L553-S567 PolarHBondContact N-O 2.91Å; C554-S567 WeakPolarHBondContact CA-OG 3.48Å; C554-S567 WeakPolarHBondContact CB-OG 3.44Å; C554-S567 PolarHBondContact N-OG 3.41Å; C554-S567 PolarHBondContact O-N 2.82Å; C554-S567 PolarHBondContact O-OG 3.2Å; S567-V594 PolarHBondContact OG-O 2.76Å
568	L	93.8	Very high	92.2	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	159.7	-176.9	-71.4	178.1	0	0	0	111.2	L548 E550 D551 V552 V566 D570 C571 T572 K574	L548-L568 HydrophobicContact CB-CD2 4.21Å; L548-L568 HydrophobicContact CD1-CD2 3.95Å; E550-L568 WeakPolarHBondContact O-CD2 3.46Å; D551-L568 WeakPolarHBondContact O-CA 3.33Å; V552-L568 HydrophobicContact CG2-CD2 3.98Å; V566-L568 HydrophobicContact CG1-CD2 4.49Å; L568-D570 WeakPolarHBondContact CB-OD1 3.39Å; L568-D570 PolarHBondContact O-N 2.83Å; L568-C571 PolarHBondContact O-N 2.69Å; L568-T572 PolarHBondContact N-O 3.14Å; L568-K574 HydrophobicContact CD1-CD 3.68Å; L568-K574 HydrophobicContact CD1-CG 4.07Å
569	L	93.1	Very high	92.1	Very high	77 Å²	77	36.6 Å²	36.6	40%	0.403	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.9	173.7	-168.8	65.5	0	0	0	112.8	D551 L553 C571 P593	D551-L569 HydrophobicContact CB-CB 4.23Å; D551-L569 HydrophobicContact CB-CD2 4.37Å; D551-L569 PolarHBondContact O-N 2.83Å; L553-L569 HydrophobicContact CD1-CD1 4.23Å; L569-C571 PolarHBondContact O-N 2.9Å; L569-P593 HydrophobicContact CD1-CB 4.23Å; L569-P593 HydrophobicContact CD1-CG 3.99Å; L569-P593 WeakPolarHBondContact O-CG 3.33Å
570	D	91.3	Very high	92.1	Very high	63 Å²	63	38.4 Å²	38.4	34%	0.337	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	14.5	176.2	70.4	1.5	0	0	0	114.4	E550 L568 T572	E550-D570 HydrophobicContact CG-CB 4.28Å; L568-D570 WeakPolarHBondContact CB-OD1 3.39Å; L568-D570 PolarHBondContact O-N 2.83Å; D570-T572 VanDerWaalsContact CG-OG1 3.28Å; D570-T572 PolarHBondContact O-N 2.89Å; D570-T572 VanDerWaalsContact OD1-CB 3.31Å; D570-T572 WeakPolarHBondContact OD1-CB 3.18Å; D570-T572 WeakPolarHBondContact OD1-CG2 3.19Å; D570-T572 PolarHBondContact OD1-N 3.1Å; D570-T572 PolarHBondContact OD1-OG1 3.24Å; D570-T572 PolarHBondContact OD2-OG1 2.82Å
571	C	92.4	Very high	92.2	Very high	26 Å²	26	34.7 Å²	34.7	18%	0.176	18%	0.176	C	C	.	.	S	Bend	trans	66.7	7.7	-177.8	-45.8	0	0	0	0	114.8	L568 L569	L568-C571 PolarHBondContact O-N 2.69Å; L569-C571 PolarHBondContact O-N 2.9Å
572	T	93.2	Very high	92.4	Very high	10 Å²	10	39 Å²	39	6%	0.061	19%	0.194	C	C	.	.			trans	-99.9	155.6	177.5	75.8	0	0	0	0	111.9	L568 D570 Y588	L568-T572 PolarHBondContact N-O 3.14Å; D570-T572 VanDerWaalsContact CG-OG1 3.28Å; D570-T572 PolarHBondContact O-N 2.89Å; D570-T572 VanDerWaalsContact OD1-CB 3.31Å; D570-T572 WeakPolarHBondContact OD1-CB 3.18Å; D570-T572 WeakPolarHBondContact OD1-CG2 3.19Å; D570-T572 PolarHBondContact OD1-N 3.1Å; D570-T572 PolarHBondContact OD1-OG1 3.24Å; D570-T572 PolarHBondContact OD2-OG1 2.82Å; T572-Y588 HydrophobicContact CG2-CD1 3.62Å; T572-Y588 HydrophobicContact CG2-CE1 3.43Å; T572-Y588 VanDerWaalsContact CG2-CE1 3.43Å
573	V	94.5	Very high	92.6	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122.7	167	176.5	0	0	0	0	107.8	A565 V566 S586 L587 V594 M597 T608	A565-V573 HydrophobicContact CB-CG1 4.46Å; V566-V573 CarbonylContact O-C 3.58Å; V566-V573 WeakPolarHBondContact O-CA 3.26Å; V573-S586 WeakPolarHBondContact O-CA 2.95Å; V573-L587 HydrophobicContact CB-CB 4.17Å; V573-L587 HydrophobicContact CB-CD1 4.15Å; V573-L587 HydrophobicContact CB-CG 4.41Å; V573-L587 HydrophobicContact CG1-CD1 4.13Å; V573-L587 PolarHBondContact N-O 3.26Å; V573-L587 PolarHBondContact O-N 2.92Å; V573-V594 HydrophobicContact CG2-CB 4.23Å; V573-V594 HydrophobicContact CG2-CG1 4.13Å; V573-V594 HydrophobicContact CG2-CG2 4.07Å; V573-M597 HydrophobicContact CB-SD 4.43Å; V573-M597 HydrophobicContact CG1-CE 4.15Å; V573-M597 HydrophobicContact CG1-SD 3.4Å; V573-M597 WeakPolarHBondContact CG1-SD 3.29Å; V573-M597 HydrophobicContact CG2-SD 4.15Å; V573-T608 HydrophobicContact CG2-CG2 4.06Å
574	K	94.6	Very high	92.6	Very high	27 Å²	27	40.1 Å²	40.1	12%	0.117	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.7	176.2	-65	-174.1	-176.6	169.8	0	109.2	D549 V566 L568 F576 F583	D549-K574 IonicContact OD2-NZ 2.97Å; D549-K574 PolarHBondContact OD2-NZ 2.94Å; V566-K574 PolarHBondContact N-O 2.97Å; V566-K574 PolarHBondContact O-N 3.44Å; L568-K574 HydrophobicContact CD1-CD 3.68Å; L568-K574 HydrophobicContact CD1-CG 4.07Å; K574-F576 HydrophobicContact CB-CD2 4.45Å; K574-F576 HydrophobicContact CB-CE2 3.61Å; K574-F576 HydrophobicContact CB-CZ 3.98Å; K574-F576 HydrophobicContact CD-CZ 4.27Å; K574-F583 HydrophobicContact CB-CE2 4.28Å; K574-F583 HydrophobicContact CD-CE2 4.43Å; K574-F583 HydrophobicContact CG-CE2 4.19Å
575	I	94.6	Very high	92.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131.9	177	-59.3	165.7	0	0	0	108.5	L563 L564 A565 F584 L585 L587 L620	L563-I575 HydrophobicContact CB-CG2 4.09Å; L563-I575 HydrophobicContact CD1-CG2 4.42Å; L563-I575 HydrophobicContact CD2-CG2 4.12Å; L563-I575 HydrophobicContact CG-CG2 4.43Å; L564-I575 CarbonylContact O-C 3.54Å; L564-I575 WeakPolarHBondContact O-CA 3.27Å; A565-I575 HydrophobicContact CB-CG1 4.28Å; I575-F584 HydrophobicContact CG2-CB 4.43Å; I575-F584 HydrophobicContact CG2-CD1 3.98Å; I575-F584 WeakPolarHBondContact O-CB 3.29Å; I575-F584 PolarHBondContact O-N 3.19Å; I575-L585 HydrophobicContact CB-CB 4.44Å; I575-L585 HydrophobicContact CD1-CB 4.33Å; I575-L585 PolarHBondContact N-O 2.72Å; I575-L585 PolarHBondContact O-N 2.88Å; I575-L587 HydrophobicContact CD1-CD1 4.08Å; I575-L587 HydrophobicContact CD1-CD2 4.45Å; I575-L587 HydrophobicContact CD1-CG 4.26Å; I575-L620 HydrophobicContact CD1-CD2 3.79Å; I575-L620 HydrophobicContact CG2-CD2 4.34Å
576	F	94.7	Very high	92.5	Very high	12 Å²	12	43.6 Å²	43.6	5%	0.053	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	151.9	-179.7	-63.9	-86	0	0	0	111	L546 L548 L563 L564 V566 K574 K582 F583	L546-F576 HydrophobicContact CD1-CE1 4.44Å; L546-F576 HydrophobicContact CD2-CD2 4.09Å; L546-F576 HydrophobicContact CD2-CE2 3.98Å; L546-F576 HydrophobicContact CD2-CG 4.42Å; L546-F576 HydrophobicContact CD2-CZ 4.23Å; L548-F576 HydrophobicContact CD2-CE2 4.02Å; L548-F576 HydrophobicContact CD2-CZ 3.63Å; L563-F576 CarbonylContact C-O 3.53Å; L563-F576 WeakPolarHBondContact CA-O 3.15Å; L564-F576 HydrophobicContact CB-CB 4.49Å; L564-F576 PolarHBondContact N-O 2.78Å; L564-F576 PolarHBondContact O-N 2.82Å; V566-F576 HydrophobicContact CB-CE2 4.47Å; V566-F576 HydrophobicContact CG2-CD2 4.15Å; V566-F576 HydrophobicContact CG2-CE2 4.3Å; K574-F576 HydrophobicContact CB-CD2 4.45Å; K574-F576 HydrophobicContact CB-CE2 3.61Å; K574-F576 HydrophobicContact CB-CZ 3.98Å; K574-F576 HydrophobicContact CD-CZ 4.27Å; F576-K582 WeakPolarHBondContact CA-O 3.1Å; F576-F583 HydrophobicContact CD1-CB 4.27Å; F576-F583 HydrophobicContact CE1-CB 4.01Å; F576-F583 HydrophobicContact CE1-CD2 4.14Å; F576-F583 HydrophobicContact CZ-CD2 4.37Å
577	Y	93.9	Very high	92.5	Very high	70 Å²	70	43.7 Å²	43.7	28%	0.275	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	130.5	163.9	-74.8	-76	0	0	0	110.3	K562 L563 D579 L581 K582 F584	K562-Y577 HydrophobicContact CG-CD1 4.27Å; K562-Y577 HydrophobicContact CG-CE1 4.26Å; L563-Y577 HydrophobicContact CD2-CD1 3.76Å; L563-Y577 HydrophobicContact CD2-CE1 3.68Å; L563-Y577 HydrophobicContact CD2-CG 4.37Å; Y577-D579 PolarHBondContact O-N 3.28Å; Y577-L581 WeakPolarHBondContact O-CA 3.45Å; Y577-L581 PolarHBondContact O-N 2.66Å; Y577-K582 PolarHBondContact N-O 2.97Å; Y577-F584 HydrophobicContact CD2-CB 4Å; Y577-F584 HydrophobicContact CD2-CG 4.42Å; Y577-F584 HydrophobicContact CE2-CB 3.69Å; Y577-F584 AromaticContact CE2-CD2 3.45Å; Y577-F584 HydrophobicContact CE2-CD2 3.45Å; Y577-F584 VanDerWaalsContact CE2-CD2 3.45Å; Y577-F584 HydrophobicContact CE2-CE2 4.25Å; Y577-F584 AromaticContact CE2-CG 3.65Å; Y577-F584 HydrophobicContact CE2-CG 3.65Å; Y577-F584 AromaticContact CZ-CD2 3.68Å; Y577-F584 AromaticContact CZ-CG 3.93Å; Y577-F584 VanDerWaalsContact OH-CD2 3.31Å; Y577-F584 WeakPolarHBondContact OH-CD2 3.42Å; Y577-F584 WeakPolarHBondContact OH-CE2 3.35Å
578	V	89.4	Confident	92.4	Very high	12 Å²	12	50.9 Å²	50.9	7%	0.073	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-41.6	-177.2	175.3	0	0	0	0	111.8	Y557 Q561 K562 L564	Y557-V578 HydrophobicContact CD1-CG2 3.89Å; Y557-V578 HydrophobicContact CE1-CB 4.45Å; Y557-V578 HydrophobicContact CE1-CG1 3.89Å; Y557-V578 HydrophobicContact CE1-CG2 3.61Å; Q561-V578 VanDerWaalsContact O-CB 3.25Å; Q561-V578 WeakPolarHBondContact O-CB 3.32Å; Q561-V578 WeakPolarHBondContact O-CG2 3.37Å; K562-V578 PolarHBondContact O-N 2.89Å; L564-V578 HydrophobicContact CB-CG2 3.94Å
579	D	87.9	Confident	92.1	Very high	122 Å²	122	53 Å²	53	65%	0.652	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-48.3	-174.2	-64.3	-22.2	0	0	0	112.6	R544 Y577	R544-D579 PolarHBondContact NH1-O 2.85Å; Y577-D579 PolarHBondContact O-N 3.28Å
580	T	88.8	Confident	92.1	Very high	82 Å²	82	50.1 Å²	50.1	50%	0.503	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-8.3	-172.7	65.5	0	0	0	0	114	K582	T580-K582 PolarHBondContact O-N 2.92Å; T580-K582 VanDerWaalsContact O-N 3.07Å; T580-K582 WeakPolarHBondContact OG1-CB 3.37Å; T580-K582 WeakPolarHBondContact OG1-CG 3.45Å; T580-K582 PolarHBondContact OG1-N 3.19Å
581	L	89.3	Confident	92.1	Very high	34 Å²	34	55.8 Å²	55.8	18%	0.178	28%	0.276	C	S	.	.			trans	52.3	26.8	-171.1	-58.9	179.1	0	0	0	113.5	F522 L546 Y577	F522-L581 HydrophobicContact CE1-CD2 4.3Å; F522-L581 HydrophobicContact CE2-CD1 4.11Å; F522-L581 HydrophobicContact CE2-CD2 3.78Å; F522-L581 HydrophobicContact CZ-CD2 3.42Å; F522-L581 VanDerWaalsContact CZ-CD2 3.42Å; L546-L581 HydrophobicContact CD1-CB 4.15Å; L546-L581 HydrophobicContact CD1-CD1 4.46Å; Y577-L581 WeakPolarHBondContact O-CA 3.45Å; Y577-L581 PolarHBondContact O-N 2.66Å
582	K	91.9	Very high	92.2	Very high	140 Å²	140	58.5 Å²	58.5	61%	0.609	29%	0.288	S	S	*	.			trans	-78.3	135.8	176.9	-75.6	-180	179.7	-179	0	108.4	F576 Y577 T580 F584	F576-K582 WeakPolarHBondContact CA-O 3.1Å; Y577-K582 PolarHBondContact N-O 2.97Å; T580-K582 PolarHBondContact O-N 2.92Å; T580-K582 VanDerWaalsContact O-N 3.07Å; T580-K582 WeakPolarHBondContact OG1-CB 3.37Å; T580-K582 WeakPolarHBondContact OG1-CG 3.45Å; T580-K582 PolarHBondContact OG1-N 3.19Å; K582-F584 PolarHBondContact O-N 2.86Å
583	F	93.2	Very high	92.2	Very high	108 Å²	108	59.4 Å²	59.4	47%	0.474	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	131.5	171	175.6	-100.4	0	0	0	109.9	K574 F576 L585	K574-F583 HydrophobicContact CB-CE2 4.28Å; K574-F583 HydrophobicContact CD-CE2 4.43Å; K574-F583 HydrophobicContact CG-CE2 4.19Å; F576-F583 HydrophobicContact CD1-CB 4.27Å; F576-F583 HydrophobicContact CE1-CB 4.01Å; F576-F583 HydrophobicContact CE1-CD2 4.14Å; F576-F583 HydrophobicContact CZ-CD2 4.37Å; F583-L585 WeakPolarHBondContact CE2-O 3.21Å; F583-L585 VanDerWaalsContact CZ-C 3.42Å
584	F	92.8	Very high	92.2	Very high	59 Å²	59	59.4 Å²	59.4	26%	0.259	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-63.2	179.4	179.9	-133.5	0	0	0	111.1	L563 I575 Y577 K582	L563-F584 HydrophobicContact CD1-CE1 4.44Å; L563-F584 HydrophobicContact CD2-CD1 3.9Å; L563-F584 HydrophobicContact CD2-CE1 4.38Å; I575-F584 HydrophobicContact CG2-CB 4.43Å; I575-F584 HydrophobicContact CG2-CD1 3.98Å; I575-F584 WeakPolarHBondContact O-CB 3.29Å; I575-F584 PolarHBondContact O-N 3.19Å; Y577-F584 HydrophobicContact CD2-CB 4Å; Y577-F584 HydrophobicContact CD2-CG 4.42Å; Y577-F584 HydrophobicContact CE2-CB 3.69Å; Y577-F584 AromaticContact CE2-CD2 3.45Å; Y577-F584 HydrophobicContact CE2-CD2 3.45Å; Y577-F584 VanDerWaalsContact CE2-CD2 3.45Å; Y577-F584 HydrophobicContact CE2-CE2 4.25Å; Y577-F584 AromaticContact CE2-CG 3.65Å; Y577-F584 HydrophobicContact CE2-CG 3.65Å; Y577-F584 AromaticContact CZ-CD2 3.68Å; Y577-F584 AromaticContact CZ-CG 3.93Å; Y577-F584 VanDerWaalsContact OH-CD2 3.31Å; Y577-F584 WeakPolarHBondContact OH-CD2 3.42Å; Y577-F584 WeakPolarHBondContact OH-CE2 3.35Å; K582-F584 PolarHBondContact O-N 2.86Å
585	L	92.6	Very high	92.1	Very high	35 Å²	35	60.7 Å²	60.7	18%	0.183	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	151.2	-175	-65.9	169.4	0	0	0	110.7	I575 F583	I575-L585 HydrophobicContact CB-CB 4.44Å; I575-L585 HydrophobicContact CD1-CB 4.33Å; I575-L585 PolarHBondContact N-O 2.72Å; I575-L585 PolarHBondContact O-N 2.88Å; F583-L585 WeakPolarHBondContact CE2-O 3.21Å; F583-L585 VanDerWaalsContact CZ-C 3.42Å
586	S	93.4	Very high	92	Very high	37 Å²	37	60.9 Å²	60.9	26%	0.259	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.4	166.3	45.4	0	0	0	0	110.1	V573 Y588	V573-S586 WeakPolarHBondContact O-CA 2.95Å; S586-Y588 WeakPolarHBondContact OG-CE2 3.34Å; S586-Y588 PolarHBondContact OG-OH 2.93Å
587	L	93.7	Very high	91.9	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.016	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122.6	178	-50.1	176.3	0	0	0	108.9	V573 I575 I606 W618	V573-L587 HydrophobicContact CB-CB 4.17Å; V573-L587 HydrophobicContact CB-CD1 4.15Å; V573-L587 HydrophobicContact CB-CG 4.41Å; V573-L587 HydrophobicContact CG1-CD1 4.13Å; V573-L587 PolarHBondContact N-O 3.26Å; V573-L587 PolarHBondContact O-N 2.92Å; I575-L587 HydrophobicContact CD1-CD1 4.08Å; I575-L587 HydrophobicContact CD1-CD2 4.45Å; I575-L587 HydrophobicContact CD1-CG 4.26Å; L587-I606 HydrophobicContact CD1-CG2 4.03Å; L587-W618 HydrophobicContact CB-CD2 4.2Å; L587-W618 HydrophobicContact CB-CE3 4.26Å; L587-W618 HydrophobicContact CB-CH2 4.43Å; L587-W618 HydrophobicContact CB-CZ2 4.31Å; L587-W618 HydrophobicContact CB-CZ3 4.35Å; L587-W618 HydrophobicContact CD1-CB 4.17Å; L587-W618 HydrophobicContact CD1-CD2 3.99Å; L587-W618 HydrophobicContact CD1-CG 3.77Å; L587-W618 HydrophobicContact CD2-CB 4.45Å; L587-W618 HydrophobicContact CD2-CD2 4.11Å; L587-W618 HydrophobicContact CD2-CE3 3.87Å; L587-W618 HydrophobicContact CD2-CG 4.37Å; L587-W618 HydrophobicContact CD2-CZ3 4.5Å; L587-W618 HydrophobicContact CG-CD2 4.33Å; L587-W618 HydrophobicContact CG-CE3 4.45Å
588	Y	91.6	Very high	91.9	Very high	151 Å²	151	58.9 Å²	58.9	59%	0.592	30%	0.298	S	S	*	.			trans	-119.9	144.3	-179.6	-64.6	-82.8	0	0	0	111.5	T572 S586 W618	T572-Y588 HydrophobicContact CG2-CD1 3.62Å; T572-Y588 HydrophobicContact CG2-CE1 3.43Å; T572-Y588 VanDerWaalsContact CG2-CE1 3.43Å; S586-Y588 WeakPolarHBondContact OG-CE2 3.34Å; S586-Y588 PolarHBondContact OG-OH 2.93Å; Y588-W618 WeakPolarHBondContact O-CH2 3.49Å
589	G	87.4	Confident	92.1	Very high	43 Å²	43	58.5 Å²	58.5	44%	0.443	30%	0.296	S	S	.	.			trans	138	1	168.3	0	0	0	0	0	115.3	K616	G589-K616 WeakPolarHBondContact O-CE 3.38Å; G589-K616 PolarHBondContact O-NZ 3.39Å
590	H	92.6	Very high	92.3	Very high	18 Å²	18	52.7 Å²	52.7	8%	0.083	27%	0.265	C	S	.	.			trans	-78.8	145.2	161.8	-67.8	-70.8	0	0	0	109.6	V594 T608 K616	H590-V594 HydrophobicContact CB-CG2 4.2Å; H590-V594 WeakPolarHBondContact CD2-CG2 3.35Å; H590-T608 PolarHBondContact NE2-OG1 2.86Å; H590-K616 VanDerWaalsContact CE1-CG 3.49Å; H590-K616 WeakPolarHBondContact CE1-CG 3.5Å
591	K	92	Very high	92.3	Very high	182 Å²	182	55.5 Å²	55.5	79%	0.791	27%	0.267	S	S	*	.	S	Bend	trans	-90.8	-30.7	177.1	-53.9	175.4	178.1	177.6	0	111.7	D612	K591-D612 VanDerWaalsContact CA-OD2 3.26Å; K591-D612 WeakPolarHBondContact CA-OD2 3.37Å; K591-D612 VanDerWaalsContact CB-OD2 3.31Å; K591-D612 WeakPolarHBondContact CB-OD2 3.48Å; K591-D612 PolarHBondContact N-OD2 3.26Å
592	L	93.9	Very high	92.3	Very high	82 Å²	82	57.1 Å²	57.1	43%	0.429	28%	0.276	S	S	.	.	S	Bend	trans	-120	163.8	175.3	-68.1	174.3	0	0	0	111.5	S610 A611 D612	L592-S610 PolarHBondContact O-OG 2.93Å; L592-A611 HydrophobicContact CB-CB 3.94Å; L592-A611 HydrophobicContact CD1-CB 4.01Å; L592-D612 WeakPolarHBondContact CB-OD1 3.4Å; L592-D612 VanDerWaalsContact CD1-OD1 3.24Å; L592-D612 WeakPolarHBondContact CD1-OD1 3.44Å; L592-D612 WeakPolarHBondContact CG-OD1 3.34Å; L592-D612 PolarHBondContact N-OD1 2.79Å; L592-D612 PolarHBondContact N-OD2 3.43Å
593	P	93.3	Very high	92.1	Very high	30 Å²	30	51.1 Å²	51.1	20%	0.195	25%	0.253	C	S	.	.			trans	-57.8	143.2	-175.2	-26.3	35.3	0	0	0	113.6	L553 L569 I595 S610 A611	L553-P593 HydrophobicContact CD1-CB 3.76Å; L569-P593 HydrophobicContact CD1-CB 4.23Å; L569-P593 HydrophobicContact CD1-CG 3.99Å; L569-P593 WeakPolarHBondContact O-CG 3.33Å; P593-I595 PolarHBondContact O-N 3.48Å; P593-S610 PolarHBondContact O-OG 2.58Å; P593-A611 PolarHBondContact O-N 2.73Å
594	V	94.1	Very high	92	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	107.5	177.4	179.4	0	0	0	0	108.7	S567 V573 H590 C596 T608 G609	S567-V594 PolarHBondContact OG-O 2.76Å; V573-V594 HydrophobicContact CG2-CB 4.23Å; V573-V594 HydrophobicContact CG2-CG1 4.13Å; V573-V594 HydrophobicContact CG2-CG2 4.07Å; H590-V594 HydrophobicContact CB-CG2 4.2Å; H590-V594 WeakPolarHBondContact CD2-CG2 3.35Å; V594-C596 WeakPolarHBondContact CG1-O 3.14Å; V594-T608 HydrophobicContact CG1-CG2 4.44Å; V594-G609 WeakPolarHBondContact CG1-O 3.23Å
595	I	92.8	Very high	92	Very high	54 Å²	54	45.4 Å²	45.4	28%	0.277	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-42.4	-175.9	-62.1	173.5	0	0	0	110.6	P593 G609 A611 M637	P593-I595 PolarHBondContact O-N 3.48Å; I595-G609 PolarHBondContact N-O 2.88Å; I595-A611 HydrophobicContact CD1-CB 3.86Å; I595-A611 HydrophobicContact CG1-CB 4.48Å; I595-M637 HydrophobicContact CD1-SD 4.29Å; I595-M637 HydrophobicContact CG2-CE 4.35Å
596	C	91.9	Very high	92	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.034	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	151.8	-174.1	59.2	0	0	0	0	111.7	V594 G609 L639	V594-C596 WeakPolarHBondContact CG1-O 3.14Å; C596-G609 PolarHBondContact N-O 2.81Å; C596-G609 PolarHBondContact O-N 2.89Å; C596-L639 HydrophobicContact CB-CB 4.25Å
597	M	93.8	Very high	92.1	Very high	8 Å²	8	42 Å²	42	4%	0.039	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	143.9	-177.1	176.6	171.5	62.9	0	0	109.5	A565 V573 I606 A607 T608	A565-M597 VanDerWaalsContact C-CE 3.43Å; A565-M597 HydrophobicContact CB-CE 3.39Å; A565-M597 HydrophobicContact CB-SD 3.71Å; A565-M597 WeakPolarHBondContact O-CE 3.47Å; V573-M597 HydrophobicContact CB-SD 4.43Å; V573-M597 HydrophobicContact CG1-CE 4.15Å; V573-M597 HydrophobicContact CG1-SD 3.4Å; V573-M597 WeakPolarHBondContact CG1-SD 3.29Å; V573-M597 HydrophobicContact CG2-SD 4.15Å; M597-I606 HydrophobicContact CG-CD1 3.77Å; M597-I606 HydrophobicContact CG-CG1 3.82Å; M597-I606 HydrophobicContact SD-CD1 3.4Å; M597-I606 WeakPolarHBondContact SD-CD1 3.36Å; M597-I606 HydrophobicContact SD-CG1 4.1Å; M597-A607 WeakPolarHBondContact CA-O 3.36Å; M597-T608 HydrophobicContact CG-CG2 4.02Å; M597-T608 HydrophobicContact SD-CG2 4.05Å
598	D	94.1	Very high	92.2	Very high	31 Å²	31	41.9 Å²	41.9	17%	0.166	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	154.1	170.7	-161.6	17.2	0	0	0	111.4	I606 A607 L639 Q640 F641	D598-I606 WeakPolarHBondContact O-CG1 3.16Å; D598-A607 PolarHBondContact N-O 3.44Å; D598-A607 PolarHBondContact O-N 2.76Å; D598-L639 HydrophobicContact CB-CD2 3.6Å; D598-Q640 WeakPolarHBondContact OD2-CA 3.3Å; D598-F641 HydrophobicContact CB-CD2 3.9Å; D598-F641 HydrophobicContact CB-CE2 4.46Å; D598-F641 WeakPolarHBondContact O-CE2 3.29Å; D598-F641 PolarHBondContact OD2-N 2.97Å
599	I	93.4	Very high	92.3	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	136.3	-179.8	-62.5	171.2	0	0	0	108.4	A565 I606 L620	A565-I599 HydrophobicContact CB-CD1 4Å; I599-I606 HydrophobicContact CD1-CD1 4.32Å; I599-I606 HydrophobicContact CG1-CB 4.31Å; I599-I606 HydrophobicContact CG1-CD1 3.83Å; I599-I606 HydrophobicContact CG1-CG1 3.86Å; I599-L620 HydrophobicContact CG1-CD1 4.33Å; I599-L620 HydrophobicContact CG2-CD1 3.63Å
600	S	92.5	Very high	92.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.164	C	C	.	.			trans	-57.6	154.4	173.7	53.3	0	0	0	0	113.1	P559 D602 G603 A604 L605	P559-S600 WeakPolarHBondContact CG-O 3.46Å; S600-D602 VanDerWaalsContact C-N 3.29Å; S600-D602 WeakPolarHBondContact CB-OD1 3.13Å; S600-D602 PolarHBondContact O-N 3.02Å; S600-D602 PolarHBondContact OG-OD1 3.41Å; S600-G603 PolarHBondContact O-N 2.95Å; S600-A604 PolarHBondContact OG-N 3.05Å; S600-L605 WeakPolarHBondContact CB-O 3.32Å; S600-L605 PolarHBondContact N-O 3.33Å; S600-L605 WeakPolarHBondContact OG-CA 3.09Å; S600-L605 PolarHBondContact OG-N 2.87Å; S600-L605 PolarHBondContact OG-O 3.48Å
601	Y	88.4	Confident	92.6	Very high	141 Å²	141	33.1 Å²	33.1	55%	0.553	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-35.8	-177.7	175.6	-101.7	0	0	0	113.9	P559 G603	P559-Y601 WeakPolarHBondContact CB-O 3.39Å; Y601-G603 VanDerWaalsContact C-N 3.3Å
602	D	89.4	Confident	92.6	Very high	68 Å²	68	25.9 Å²	25.9	36%	0.364	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-15.2	178.4	65.8	-10.7	0	0	0	112.9	N560 S600 A604 H646	N560-D602 PolarHBondContact ND2-O 3.26Å; S600-D602 VanDerWaalsContact C-N 3.29Å; S600-D602 WeakPolarHBondContact CB-OD1 3.13Å; S600-D602 PolarHBondContact O-N 3.02Å; S600-D602 PolarHBondContact OG-OD1 3.41Å; D602-A604 WeakPolarHBondContact OD1-CB 3.5Å; D602-A604 PolarHBondContact OD1-N 3.48Å; D602-A604 WeakPolarHBondContact OD2-CB 3.33Å; D602-H646 IonicContact OD1-NE2 3.84Å; D602-H646 IonicContact OD2-CE1 3.69Å; D602-H646 PolarHBondContact OD2-CE1 3.41Å; D602-H646 VanDerWaalsContact OD2-CE1 3.32Å; D602-H646 IonicContact OD2-NE2 3.36Å; D602-H646 PolarHBondContact OD2-NE2 2.97Å; D602-H646 VanDerWaalsContact OD2-NE2 3.16Å
603	G	87.2	Confident	92.6	Very high	13 Å²	13	27.6 Å²	27.6	13%	0.134	14%	0.142	C	C	.	.	S	Bend	trans	78.4	15.7	-176.4	0	0	0	0	0	113.9	S600 Y601 L620	S600-G603 PolarHBondContact O-N 2.95Å; Y601-G603 VanDerWaalsContact C-N 3.3Å; G603-L620 WeakPolarHBondContact O-CD1 3.4Å
604	A	90.4	Very high	92.6	Very high	33 Å²	33	28.2 Å²	28.2	27%	0.273	14%	0.144	S	C	.	.	S	Bend	trans	-90	-35.7	-178.5	0	0	0	0	0	112.9	S600 D602 L620	S600-A604 PolarHBondContact OG-N 3.05Å; D602-A604 WeakPolarHBondContact OD1-CB 3.5Å; D602-A604 PolarHBondContact OD1-N 3.48Å; D602-A604 WeakPolarHBondContact OD2-CB 3.33Å; A604-L620 WeakPolarHBondContact O-CB 3.5Å; A604-L620 PolarHBondContact O-N 3.36Å
605	L	92.9	Very high	92.7	Very high	15 Å²	15	28.2 Å²	28.2	8%	0.079	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	145.1	-177.2	-61.4	171.9	0	0	0	111.8	S600 I617 W618 A662	S600-L605 WeakPolarHBondContact CB-O 3.32Å; S600-L605 PolarHBondContact N-O 3.33Å; S600-L605 WeakPolarHBondContact OG-CA 3.09Å; S600-L605 PolarHBondContact OG-N 2.87Å; S600-L605 PolarHBondContact OG-O 3.48Å; L605-I617 HydrophobicContact CD2-CG2 4.11Å; L605-W618 WeakPolarHBondContact CA-O 3.24Å; L605-A662 HydrophobicContact CD1-CB 3.94Å
606	I	94.2	Very high	92.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.8	168.4	-171.8	170.4	0	0	0	109.5	A565 L587 M597 D598 I599 T608 I617 W618 L620	A565-I606 HydrophobicContact CB-CD1 3.59Å; L587-I606 HydrophobicContact CD1-CG2 4.03Å; M597-I606 HydrophobicContact CG-CD1 3.77Å; M597-I606 HydrophobicContact CG-CG1 3.82Å; M597-I606 HydrophobicContact SD-CD1 3.4Å; M597-I606 WeakPolarHBondContact SD-CD1 3.36Å; M597-I606 HydrophobicContact SD-CG1 4.1Å; D598-I606 WeakPolarHBondContact O-CG1 3.16Å; I599-I606 HydrophobicContact CD1-CD1 4.32Å; I599-I606 HydrophobicContact CG1-CB 4.31Å; I599-I606 HydrophobicContact CG1-CD1 3.83Å; I599-I606 HydrophobicContact CG1-CG1 3.86Å; I606-T608 HydrophobicContact CG1-CG2 4.41Å; I606-I617 WeakPolarHBondContact O-CA 3.43Å; I606-W618 HydrophobicContact CG2-CB 3.58Å; I606-W618 HydrophobicContact CG2-CG 4.11Å; I606-W618 PolarHBondContact N-O 3.03Å; I606-W618 PolarHBondContact O-N 2.84Å; I606-L620 HydrophobicContact CB-CD1 3.93Å; I606-L620 HydrophobicContact CB-CG 4.21Å; I606-L620 HydrophobicContact CG2-CD1 4.42Å; I606-L620 HydrophobicContact CG2-CG 4.16Å
607	A	94.8	Very high	93	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.8	176.3	0	0	0	0	0	109.3	M597 D598 V615 I617 L639 F641	M597-A607 WeakPolarHBondContact CA-O 3.36Å; D598-A607 PolarHBondContact N-O 3.44Å; D598-A607 PolarHBondContact O-N 2.76Å; A607-V615 HydrophobicContact CB-CG1 4.49Å; A607-I617 HydrophobicContact CB-CG1 4.37Å; A607-L639 HydrophobicContact CB-CD1 3.76Å; A607-L639 HydrophobicContact CB-CD2 3.72Å; A607-L639 HydrophobicContact CB-CG 4.41Å; A607-F641 HydrophobicContact CB-CE2 3.66Å; A607-F641 HydrophobicContact CB-CZ 3.75Å
608	T	94.8	Very high	93	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	121.3	-174.2	54.9	0	0	0	0	109.6	V573 H590 V594 M597 I606 V615 K616 W618	V573-T608 HydrophobicContact CG2-CG2 4.06Å; H590-T608 PolarHBondContact NE2-OG1 2.86Å; V594-T608 HydrophobicContact CG1-CG2 4.44Å; M597-T608 HydrophobicContact CG-CG2 4.02Å; M597-T608 HydrophobicContact SD-CG2 4.05Å; I606-T608 HydrophobicContact CG1-CG2 4.41Å; T608-V615 CarbonylContact O-C 3.45Å; T608-V615 VanDerWaalsContact O-CA 3.29Å; T608-V615 WeakPolarHBondContact O-CA 3.41Å; T608-K616 PolarHBondContact N-O 3.49Å; T608-K616 PolarHBondContact O-N 3.33Å; T608-K616 PolarHBondContact OG1-O 3.03Å; T608-W618 PolarHBondContact OG1-NE1 2.92Å
609	G	94.3	Very high	93	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.7	177.5	0	0	0	0	0	111.3	V594 I595 C596	V594-G609 WeakPolarHBondContact CG1-O 3.23Å; I595-G609 PolarHBondContact N-O 2.88Å; C596-G609 PolarHBondContact N-O 2.81Å; C596-G609 PolarHBondContact O-N 2.89Å
610	S	94.3	Very high	92.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	161.6	-177.4	172.6	0	0	0	0	111.9	L592 P593 D612 R613 N614 V636	L592-S610 PolarHBondContact O-OG 2.93Å; P593-S610 PolarHBondContact O-OG 2.58Å; S610-D612 PolarHBondContact O-N 2.77Å; S610-D612 VanDerWaalsContact O-N 3.16Å; S610-D612 PolarHBondContact OG-N 2.73Å; S610-D612 VanDerWaalsContact OG-N 3.1Å; S610-D612 PolarHBondContact OG-OD2 2.86Å; S610-R613 PolarHBondContact O-N 2.98Å; S610-N614 PolarHBondContact N-O 3.03Å; S610-V636 PolarHBondContact O-N 3.35Å
611	A	93.3	Very high	92.6	Very high	29 Å²	29	31.3 Å²	31.3	24%	0.24	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-15.8	165.1	0	0	0	0	0	113.1	L592 P593 I595 R613	L592-A611 HydrophobicContact CB-CB 3.94Å; L592-A611 HydrophobicContact CD1-CB 4.01Å; P593-A611 PolarHBondContact O-N 2.73Å; I595-A611 HydrophobicContact CD1-CB 3.86Å; I595-A611 HydrophobicContact CG1-CB 4.48Å; A611-R613 PolarHBondContact O-N 3.36Å
612	D	91.8	Very high	92.5	Very high	29 Å²	29	32.5 Å²	32.5	16%	0.155	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	1.7	172.7	-74.6	-27.8	0	0	0	115.2	K591 L592 S610 N614	K591-D612 VanDerWaalsContact CA-OD2 3.26Å; K591-D612 WeakPolarHBondContact CA-OD2 3.37Å; K591-D612 VanDerWaalsContact CB-OD2 3.31Å; K591-D612 WeakPolarHBondContact CB-OD2 3.48Å; K591-D612 PolarHBondContact N-OD2 3.26Å; L592-D612 WeakPolarHBondContact CB-OD1 3.4Å; L592-D612 VanDerWaalsContact CD1-OD1 3.24Å; L592-D612 WeakPolarHBondContact CD1-OD1 3.44Å; L592-D612 WeakPolarHBondContact CG-OD1 3.34Å; L592-D612 PolarHBondContact N-OD1 2.79Å; L592-D612 PolarHBondContact N-OD2 3.43Å; S610-D612 PolarHBondContact O-N 2.77Å; S610-D612 VanDerWaalsContact O-N 3.16Å; S610-D612 PolarHBondContact OG-N 2.73Å; S610-D612 VanDerWaalsContact OG-N 3.1Å; S610-D612 PolarHBondContact OG-OD2 2.86Å; D612-N614 PolarHBondContact O-N 3.31Å; D612-N614 VanDerWaalsContact O-N 3.1Å
613	R	93.5	Very high	92.5	Very high	119 Å²	119	30.1 Å²	30.1	45%	0.449	16%	0.159	S	C	.	.	S	Bend	trans	71.2	-3.5	-177.3	-40.5	168	177.3	172.6	-0.7	114.1	S610 A611 F630 A631 H632 D633	S610-R613 PolarHBondContact O-N 2.98Å; A611-R613 PolarHBondContact O-N 3.36Å; R613-F630 HydrophobicContact CB-CE2 4.23Å; R613-A631 PolarHBondContact O-N 2.77Å; R613-H632 WeakPolarHBondContact CB-O 3.27Å; R613-H632 PolarHBondContact O-N 2.81Å; R613-D633 VanDerWaalsContact CD-O 3.22Å; R613-D633 WeakPolarHBondContact CD-O 3.46Å; R613-D633 PolarHBondContact NE-O 3.07Å
614	N	93.8	Very high	92.7	Very high	43 Å²	43	33.1 Å²	33.1	23%	0.23	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	149.3	-179.1	-68.6	-19.4	0	0	0	111.7	S610 D612 L629 F630	S610-N614 PolarHBondContact N-O 3.03Å; D612-N614 PolarHBondContact O-N 3.31Å; D612-N614 VanDerWaalsContact O-N 3.1Å; N614-L629 CarbonylContact C-O 3.36Å; N614-L629 VanDerWaalsContact CA-O 3.3Å; N614-L629 WeakPolarHBondContact CA-O 3.47Å; N614-F630 WeakPolarHBondContact OD1-CA 3.26Å; N614-F630 VanDerWaalsContact OD1-CD2 3.27Å; N614-F630 WeakPolarHBondContact OD1-CD2 3.42Å
615	V	95.1	Very high	92.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.9	165.8	177.5	0	0	0	0	108.6	A607 T608 L629 A631 V636 L639 F648 T650	A607-V615 HydrophobicContact CB-CG1 4.49Å; T608-V615 CarbonylContact O-C 3.45Å; T608-V615 VanDerWaalsContact O-CA 3.29Å; T608-V615 WeakPolarHBondContact O-CA 3.41Å; V615-L629 PolarHBondContact N-O 3.2Å; V615-L629 PolarHBondContact O-N 3.21Å; V615-A631 HydrophobicContact CB-CB 4.34Å; V615-A631 HydrophobicContact CG2-CB 3.77Å; V615-V636 HydrophobicContact CG2-CG1 4.22Å; V615-V636 HydrophobicContact CG2-CG2 4.08Å; V615-L639 HydrophobicContact CG1-CD1 3.7Å; V615-L639 HydrophobicContact CG2-CD1 4.32Å; V615-F648 HydrophobicContact CG1-CE2 4.07Å; V615-F648 HydrophobicContact CG1-CZ 4.37Å; V615-T650 HydrophobicContact CG2-CG2 3.89Å
616	K	94.9	Very high	92.7	Very high	32 Å²	32	37.9 Å²	37.9	14%	0.139	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.3	173.7	-65.8	-174.5	-176.3	-132.6	0	110.1	G589 H590 T608 W618	G589-K616 WeakPolarHBondContact O-CE 3.38Å; G589-K616 PolarHBondContact O-NZ 3.39Å; H590-K616 VanDerWaalsContact CE1-CG 3.49Å; H590-K616 WeakPolarHBondContact CE1-CG 3.5Å; T608-K616 PolarHBondContact N-O 3.49Å; T608-K616 PolarHBondContact O-N 3.33Å; T608-K616 PolarHBondContact OG1-O 3.03Å; K616-W618 HydrophobicContact CB-CZ2 3.97Å; K616-W618 HydrophobicContact CD-CH2 4.24Å; K616-W618 HydrophobicContact CD-CZ2 3.59Å; K616-W618 HydrophobicContact CG-CZ2 4.46Å
617	I	95.4	Very high	92.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.3	175.9	-62.8	158.2	0	0	0	108.1	L605 I606 A607 H626 K627 L629 F648 A662 F665	L605-I617 HydrophobicContact CD2-CG2 4.11Å; I606-I617 WeakPolarHBondContact O-CA 3.43Å; A607-I617 HydrophobicContact CB-CG1 4.37Å; I617-H626 PolarHBondContact O-N 3.42Å; I617-K627 PolarHBondContact N-O 2.71Å; I617-K627 VanDerWaalsContact N-O 3.11Å; I617-L629 HydrophobicContact CD1-CD1 3.74Å; I617-F648 HydrophobicContact CD1-CE1 3.88Å; I617-F648 HydrophobicContact CD1-CZ 3.95Å; I617-F648 HydrophobicContact CG1-CE1 4.47Å; I617-F648 HydrophobicContact CG1-CZ 4.4Å; I617-A662 HydrophobicContact CD1-CB 4.28Å; I617-F665 HydrophobicContact CB-CE1 4.1Å; I617-F665 HydrophobicContact CD1-CD1 3.54Å; I617-F665 HydrophobicContact CD1-CE1 3.73Å; I617-F665 HydrophobicContact CG2-CE1 4Å
618	W	94.8	Very high	92.5	Very high	10 Å²	10	45.5 Å²	45.5	4%	0.038	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	148.2	-177.8	-44.5	79.7	0	0	0	111.3	L587 Y588 L605 I606 T608 K616 D624 C625	L587-W618 HydrophobicContact CB-CD2 4.2Å; L587-W618 HydrophobicContact CB-CE3 4.26Å; L587-W618 HydrophobicContact CB-CH2 4.43Å; L587-W618 HydrophobicContact CB-CZ2 4.31Å; L587-W618 HydrophobicContact CB-CZ3 4.35Å; L587-W618 HydrophobicContact CD1-CB 4.17Å; L587-W618 HydrophobicContact CD1-CD2 3.99Å; L587-W618 HydrophobicContact CD1-CG 3.77Å; L587-W618 HydrophobicContact CD2-CB 4.45Å; L587-W618 HydrophobicContact CD2-CD2 4.11Å; L587-W618 HydrophobicContact CD2-CE3 3.87Å; L587-W618 HydrophobicContact CD2-CG 4.37Å; L587-W618 HydrophobicContact CD2-CZ3 4.5Å; L587-W618 HydrophobicContact CG-CD2 4.33Å; L587-W618 HydrophobicContact CG-CE3 4.45Å; Y588-W618 WeakPolarHBondContact O-CH2 3.49Å; L605-W618 WeakPolarHBondContact CA-O 3.24Å; I606-W618 HydrophobicContact CG2-CB 3.58Å; I606-W618 HydrophobicContact CG2-CG 4.11Å; I606-W618 PolarHBondContact N-O 3.03Å; I606-W618 PolarHBondContact O-N 2.84Å; T608-W618 PolarHBondContact OG1-NE1 2.92Å; K616-W618 HydrophobicContact CB-CZ2 3.97Å; K616-W618 HydrophobicContact CD-CH2 4.24Å; K616-W618 HydrophobicContact CD-CZ2 3.59Å; K616-W618 HydrophobicContact CG-CZ2 4.46Å; W618-D624 CarbonylContact C-O 3.6Å; W618-D624 WeakPolarHBondContact CA-O 3.42Å; W618-C625 HydrophobicContact CD2-CB 4.32Å; W618-C625 HydrophobicContact CE3-CB 3.64Å; W618-C625 HydrophobicContact CH2-CB 3.91Å; W618-C625 HydrophobicContact CZ3-CB 3.43Å; W618-C625 VanDerWaalsContact CZ3-CB 3.43Å
619	G	93.5	Very high	92.4	Very high	5 Å²	5	46 Å²	46	5%	0.052	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	127.2	165.8	0	0	0	0	0	109.8	D621 G623 D624 H626	G619-D621 VanDerWaalsContact C-N 3.31Å; G619-G623 WeakPolarHBondContact O-CA 3.47Å; G619-G623 PolarHBondContact O-N 2.8Å; G619-D624 PolarHBondContact N-O 3.39Å; G619-H626 PolarHBondContact N-CD2 3.09Å
620	L	89.2	Confident	92.3	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-21.8	179.9	-99.5	148.3	0	0	0	113.1	L563 I575 I599 G603 A604 I606	L563-L620 HydrophobicContact CD1-CD2 3.56Å; I575-L620 HydrophobicContact CD1-CD2 3.79Å; I575-L620 HydrophobicContact CG2-CD2 4.34Å; I599-L620 HydrophobicContact CG1-CD1 4.33Å; I599-L620 HydrophobicContact CG2-CD1 3.63Å; G603-L620 WeakPolarHBondContact O-CD1 3.4Å; A604-L620 WeakPolarHBondContact O-CB 3.5Å; A604-L620 PolarHBondContact O-N 3.36Å; I606-L620 HydrophobicContact CB-CD1 3.93Å; I606-L620 HydrophobicContact CB-CG 4.21Å; I606-L620 HydrophobicContact CG2-CD1 4.42Å; I606-L620 HydrophobicContact CG2-CG 4.16Å
621	D	88.6	Confident	92.1	Very high	118 Å²	118	51.8 Å²	51.8	63%	0.631	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-43.1	-178.1	-71.4	-29.2	0	0	0	112.4	G619	G619-D621 VanDerWaalsContact C-N 3.31Å
622	F	87.3	Confident	92	Very high	167 Å²	167	50.4 Å²	50.4	73%	0.732	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.3	-11.3	-175.7	-57.8	-72.7	0	0	0	114
623	G	87.8	Confident	92	Very high	17 Å²	17	53.7 Å²	53.7	18%	0.175	27%	0.27	C	S	.	.			trans	76.1	24.1	-176	0	0	0	0	0	113.4	G619	G619-G623 WeakPolarHBondContact O-CA 3.47Å; G619-G623 PolarHBondContact O-N 2.8Å
624	D	92.4	Very high	92	Very high	76 Å²	76	50.5 Å²	50.5	41%	0.406	26%	0.262	S	S	.	.			trans	-79.6	140.9	177.2	58.8	-37.4	0	0	0	111.8	W618 G619 H626	W618-D624 CarbonylContact C-O 3.6Å; W618-D624 WeakPolarHBondContact CA-O 3.42Å; G619-D624 PolarHBondContact N-O 3.39Å; D624-H626 PolarHBondContact O-N 3.21Å
625	C	91.9	Very high	92	Very high	56 Å²	56	49.1 Å²	49.1	38%	0.378	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	110.1	175.7	-172.8	0	0	0	0	108.9	W618	W618-C625 HydrophobicContact CD2-CB 4.32Å; W618-C625 HydrophobicContact CE3-CB 3.64Å; W618-C625 HydrophobicContact CH2-CB 3.91Å; W618-C625 HydrophobicContact CZ3-CB 3.43Å; W618-C625 VanDerWaalsContact CZ3-CB 3.43Å
626	H	91.6	Very high	92	Very high	92 Å²	92	49.1 Å²	49.1	43%	0.426	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	-52	174.9	-75.7	-79.8	0	0	0	110.9	I617 G619 D624 F665	I617-H626 PolarHBondContact O-N 3.42Å; G619-H626 PolarHBondContact N-CD2 3.09Å; D624-H626 PolarHBondContact O-N 3.21Å; H626-F665 HydrophobicContact CB-CE1 3.81Å; H626-F665 HydrophobicContact CB-CZ 3.53Å
627	K	91.9	Very high	91.9	Very high	91 Å²	91	48.8 Å²	48.8	40%	0.396	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	145.6	-179.6	-154.2	178.8	-178.3	-177.4	0	111.9	I617 L629 F665	I617-K627 PolarHBondContact N-O 2.71Å; I617-K627 VanDerWaalsContact N-O 3.11Å; K627-L629 HydrophobicContact CD-CD2 3.87Å; K627-L629 HydrophobicContact CG-CD2 4.39Å; K627-F665 HydrophobicContact CB-CD1 3.83Å; K627-F665 HydrophobicContact CB-CE1 4.13Å; K627-F665 HydrophobicContact CB-CG 4.12Å; K627-F665 HydrophobicContact CD-CB 3.41Å; K627-F665 VanDerWaalsContact CD-CB 3.41Å; K627-F665 HydrophobicContact CD-CD1 4.17Å; K627-F665 HydrophobicContact CD-CD2 4.24Å; K627-F665 HydrophobicContact CD-CG 3.7Å; K627-F665 PolarHBondContact NZ-O 3.46Å
628	S	93.1	Very high	91.8	Very high	70 Å²	70	52.9 Å²	52.9	49%	0.49	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	122.1	163.9	57.9	0	0	0	0	109.8
629	L	92.4	Very high	91.8	Very high	11 Å²	11	52.6 Å²	52.6	6%	0.058	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.5	178.4	-63.2	172.5	0	0	0	109.3	N614 V615 I617 K627 A631 F648 W660 F665	N614-L629 CarbonylContact C-O 3.36Å; N614-L629 VanDerWaalsContact CA-O 3.3Å; N614-L629 WeakPolarHBondContact CA-O 3.47Å; V615-L629 PolarHBondContact N-O 3.2Å; V615-L629 PolarHBondContact O-N 3.21Å; I617-L629 HydrophobicContact CD1-CD1 3.74Å; K627-L629 HydrophobicContact CD-CD2 3.87Å; K627-L629 HydrophobicContact CG-CD2 4.39Å; L629-A631 PolarHBondContact O-N 3.42Å; L629-F648 HydrophobicContact CD1-CZ 4.3Å; L629-W660 HydrophobicContact CD1-CD2 4.42Å; L629-W660 HydrophobicContact CD1-CE3 3.96Å; L629-W660 HydrophobicContact CD1-CZ3 4.36Å; L629-W660 HydrophobicContact CD2-CZ3 4.44Å; L629-F665 HydrophobicContact CD2-CB 4.29Å
630	F	92.1	Very high	91.9	Very high	121 Å²	121	54.5 Å²	54.5	53%	0.531	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	102.1	164.7	-176.1	-95.9	0	0	0	107.3	R613 N614 H632	R613-F630 HydrophobicContact CB-CE2 4.23Å; N614-F630 WeakPolarHBondContact OD1-CA 3.26Å; N614-F630 VanDerWaalsContact OD1-CD2 3.27Å; N614-F630 WeakPolarHBondContact OD1-CD2 3.42Å; F630-H632 WeakPolarHBondContact CE1-O 2.93Å; F630-H632 WeakPolarHBondContact CZ-O 3.33Å
631	A	88.9	Confident	92.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.279	C	S	.	.			trans	-93.2	-46.8	-168.1	0	0	0	0	0	111.7	R613 V615 L629 K658 W660	R613-A631 PolarHBondContact O-N 2.77Å; V615-A631 HydrophobicContact CB-CB 4.34Å; V615-A631 HydrophobicContact CG2-CB 3.77Å; L629-A631 PolarHBondContact O-N 3.42Å; A631-K658 WeakPolarHBondContact O-CD 3.42Å; A631-K658 VanDerWaalsContact O-CE 3.29Å; A631-K658 WeakPolarHBondContact O-CE 3.16Å; A631-K658 PolarHBondContact O-NZ 3.19Å; A631-W660 HydrophobicContact CB-CZ2 3.83Å
632	H	92.6	Very high	92.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.251	C	S	.	.			trans	-131.6	162.5	-170.8	-74.5	-84.4	0	0	0	111.4	R613 F630 D634 V636 T650 D654 K656	R613-H632 WeakPolarHBondContact CB-O 3.27Å; R613-H632 PolarHBondContact O-N 2.81Å; F630-H632 WeakPolarHBondContact CE1-O 2.93Å; F630-H632 WeakPolarHBondContact CZ-O 3.33Å; H632-D634 VanDerWaalsContact C-N 3.33Å; H632-D634 VanDerWaalsContact CB-O 3.28Å; H632-D634 WeakPolarHBondContact CB-O 3.34Å; H632-V636 HydrophobicContact CB-CG2 4.33Å; H632-T650 WeakPolarHBondContact NE2-CB 3.49Å; H632-T650 PolarHBondContact NE2-O 3.04Å; H632-T650 PolarHBondContact NE2-OG1 3.43Å; H632-D654 WeakPolarHBondContact CA-OD2 3.48Å; H632-D654 VanDerWaalsContact CB-OD2 3.26Å; H632-D654 WeakPolarHBondContact CB-OD2 3.46Å; H632-D654 IonicContact CE1-OD1 2.82Å; H632-D654 IonicContact CG-OD1 3.91Å; H632-D654 IonicContact CG-OD2 2.98Å; H632-D654 VanDerWaalsContact ND1-CG 3.31Å; H632-D654 IonicContact ND1-OD1 3.44Å; H632-D654 PolarHBondContact ND1-OD1 3.09Å; H632-D654 IonicContact ND1-OD2 3.97Å; H632-D654 PolarHBondContact ND1-OD2 2.9Å; H632-K656 PolarHBondContact CE1-O 3.01Å
633	D	91	Very high	92.3	Very high	98 Å²	98	43.6 Å²	43.6	52%	0.524	23%	0.229	S	C	.	.	S	Bend	trans	-81.8	-18.1	175.9	-65.2	-38.2	0	0	0	112.3	R613 D654	R613-D633 VanDerWaalsContact CD-O 3.22Å; R613-D633 WeakPolarHBondContact CD-O 3.46Å; R613-D633 PolarHBondContact NE-O 3.07Å; D633-D654 HydrophobicContact CB-CB 4.37Å; D633-D654 PolarHBondContact N-OD2 3.17Å; D633-D654 VanDerWaalsContact N-OD2 3.07Å
634	D	93.7	Very high	92.3	Very high	52 Å²	52	50.9 Å²	50.9	28%	0.278	26%	0.255	S	S	.	.	S	Bend	trans	-131.5	-177.5	173.9	-157.8	2.6	0	0	0	111.1	H632 K653 D654	H632-D634 VanDerWaalsContact C-N 3.33Å; H632-D634 VanDerWaalsContact CB-O 3.28Å; H632-D634 WeakPolarHBondContact CB-O 3.34Å; D634-K653 HydrophobicContact CB-CB 4Å; D634-K653 VanDerWaalsContact OD2-CD 3.22Å; D634-K653 WeakPolarHBondContact OD2-CD 3.36Å; D634-K653 WeakPolarHBondContact OD2-CG 3.25Å; D634-K653 IonicContact OD2-NZ 2.71Å; D634-D654 HydrophobicContact CB-CB 4.23Å
635	S	93.6	Very high	92.1	Very high	14 Å²	14	48.8 Å²	48.8	10%	0.098	25%	0.247	C	C	.	.			trans	-56.6	138.9	-171.9	60.1	0	0	0	0	113.5	M637 K653	S635-M637 PolarHBondContact O-N 2.96Å; S635-M637 PolarHBondContact OG-SD 2.82Å; S635-M637 VanDerWaalsContact OG-SD 3.41Å; S635-K653 WeakPolarHBondContact O-CB 3.32Å; S635-K653 PolarHBondContact O-N 3.01Å; S635-K653 WeakPolarHBondContact OG-CB 3.27Å; S635-K653 WeakPolarHBondContact OG-CD 3.41Å
636	V	95.1	Very high	92.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	115.2	174.9	-171.2	0	0	0	0	109.1	S610 V615 H632	S610-V636 PolarHBondContact O-N 3.35Å; V615-V636 HydrophobicContact CG2-CG1 4.22Å; V615-V636 HydrophobicContact CG2-CG2 4.08Å; H632-V636 HydrophobicContact CB-CG2 4.33Å
637	M	93.4	Very high	92.1	Very high	25 Å²	25	45.4 Å²	45.4	12%	0.123	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-36.6	-172.1	-62.8	-51.8	-53	0	0	112.7	I595 S635 A651 K653 I678 W679	I595-M637 HydrophobicContact CD1-SD 4.29Å; I595-M637 HydrophobicContact CG2-CE 4.35Å; S635-M637 PolarHBondContact O-N 2.96Å; S635-M637 PolarHBondContact OG-SD 2.82Å; S635-M637 VanDerWaalsContact OG-SD 3.41Å; M637-A651 PolarHBondContact N-O 3.01Å; M637-K653 HydrophobicContact CG-CB 4.25Å; M637-I678 VanDerWaalsContact CB-O 3.29Å; M637-I678 WeakPolarHBondContact CB-O 3.31Å; M637-I678 WeakPolarHBondContact CG-O 3.1Å; M637-W679 HydrophobicContact CE-CE3 3.58Å; M637-W679 HydrophobicContact CE-CH2 4.26Å; M637-W679 HydrophobicContact CE-CZ3 3.28Å
638	Y	93.3	Very high	92.2	Very high	85 Å²	85	41.1 Å²	41.1	33%	0.333	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	149.3	-177.5	-149.8	-94.5	0	0	0	111.6	Q640 A651 C680 L681	Y638-Q640 HydrophobicContact CE1-CB 4.33Å; Y638-A651 PolarHBondContact N-O 2.8Å; Y638-A651 PolarHBondContact O-N 2.98Å; Y638-C680 HydrophobicContact CD2-CB 4.16Å; Y638-C680 HydrophobicContact CE2-CB 4.4Å; Y638-L681 HydrophobicContact CD1-CB 3.93Å; Y638-L681 VanDerWaalsContact CD1-O 3.27Å; Y638-L681 WeakPolarHBondContact CD1-O 3.5Å; Y638-L681 WeakPolarHBondContact CE1-O 3.28Å
639	L	94.7	Very high	92.3	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	134.4	179.8	-171.6	153.5	0	0	0	108.7	C596 D598 A607 V615 F648 F649 T650	C596-L639 HydrophobicContact CB-CB 4.25Å; D598-L639 HydrophobicContact CB-CD2 3.6Å; A607-L639 HydrophobicContact CB-CD1 3.76Å; A607-L639 HydrophobicContact CB-CD2 3.72Å; A607-L639 HydrophobicContact CB-CG 4.41Å; V615-L639 HydrophobicContact CG1-CD1 3.7Å; V615-L639 HydrophobicContact CG2-CD1 4.32Å; L639-F648 HydrophobicContact CD1-CD2 4.21Å; L639-F648 HydrophobicContact CD1-CE2 4.3Å; L639-F648 HydrophobicContact CD2-CD2 4.4Å; L639-F648 HydrophobicContact CG-CD2 4.17Å; L639-F649 WeakPolarHBondContact CA-O 3.42Å; L639-T650 HydrophobicContact CD1-CG2 4.15Å; L639-T650 HydrophobicContact CG-CG2 4.36Å
640	Q	94.2	Very high	92.4	Very high	45 Å²	45	37.2 Å²	37.2	21%	0.21	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	135.4	174.1	-165	174.5	8.2	0	0	112.3	D598 Y638 F648 F649 L681 A682 V683	D598-Q640 WeakPolarHBondContact OD2-CA 3.3Å; Y638-Q640 HydrophobicContact CE1-CB 4.33Å; Q640-F648 WeakPolarHBondContact O-CA 3.38Å; Q640-F648 WeakPolarHBondContact O-CB 3.12Å; Q640-F649 PolarHBondContact N-O 2.7Å; Q640-F649 VanDerWaalsContact N-O 3.1Å; Q640-F649 PolarHBondContact O-N 3.45Å; Q640-L681 HydrophobicContact CB-CD2 4.18Å; Q640-A682 VanDerWaalsContact OE1-CA 3.26Å; Q640-V683 HydrophobicContact CB-CG2 4.09Å; Q640-V683 HydrophobicContact CG-CB 4.39Å; Q640-V683 HydrophobicContact CG-CG2 4.04Å
641	F	94.4	Very high	92.6	Very high	9 Å²	9	31.5 Å²	31.5	4%	0.039	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	146.2	170.9	-81.9	-81.5	0	0	0	111.7	D598 A607 F648 A662	D598-F641 HydrophobicContact CB-CD2 3.9Å; D598-F641 HydrophobicContact CB-CE2 4.46Å; D598-F641 WeakPolarHBondContact O-CE2 3.29Å; D598-F641 PolarHBondContact OD2-N 2.97Å; A607-F641 HydrophobicContact CB-CE2 3.66Å; A607-F641 HydrophobicContact CB-CZ 3.75Å; F641-F648 HydrophobicContact CD1-CB 3.68Å; F641-F648 HydrophobicContact CD1-CD1 4.45Å; F641-F648 HydrophobicContact CD1-CG 4.48Å; F641-F648 HydrophobicContact CE1-CB 3.88Å; F641-F648 AromaticContact CE1-CD1 3.85Å; F641-F648 HydrophobicContact CE1-CD1 3.85Å; F641-F648 HydrophobicContact CE1-CG 4.19Å; F641-F648 HydrophobicContact CG-CB 4.02Å; F641-F648 HydrophobicContact CZ-CB 4.39Å; F641-F648 HydrophobicContact CZ-CD1 4.26Å; F641-F648 HydrophobicContact CZ-CG 4.49Å; F641-A662 HydrophobicContact CE1-CB 4.08Å
642	V	92.3	Very high	92.8	Very high	6 Å²	6	31.5 Å²	31.5	4%	0.036	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-79.7	122.9	169.6	177.4	0	0	0	0	108.6	S645 L647 F649 V683	V642-S645 WeakPolarHBondContact CB-OG 3.38Å; V642-S645 PolarHBondContact O-N 3.08Å; V642-S645 VanDerWaalsContact O-O 3.05Å; V642-S645 PolarHBondContact O-OG 3.05Å; V642-L647 HydrophobicContact CB-CB 4.34Å; V642-L647 HydrophobicContact CG2-CB 4.3Å; V642-L647 PolarHBondContact N-O 3.29Å; V642-F649 HydrophobicContact CG2-CD2 3.85Å; V642-F649 HydrophobicContact CG2-CE2 3.52Å; V642-V683 HydrophobicContact CG2-CG1 4.27Å
643	P	88.2	Confident	92.8	Very high	42 Å²	42	34.5 Å²	34.5	27%	0.273	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	143.6	-178.4	-26.9	34.3	0	0	0	112.8	S645	P643-S645 PolarHBondContact O-N 2.93Å
644	K	87.1	Confident	92.8	Very high	170 Å²	170	31 Å²	31	74%	0.739	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.4	5.7	-178.9	-50.2	173.5	-179.9	172.8	0	115.7
645	S	88.7	Confident	92.7	Very high	33 Å²	33	31.9 Å²	31.9	23%	0.231	15%	0.154	C	C	.	.	S	Bend	trans	-137.3	166.2	178.1	76.5	0	0	0	0	111.6	V642 P643 L647	V642-S645 WeakPolarHBondContact CB-OG 3.38Å; V642-S645 PolarHBondContact O-N 3.08Å; V642-S645 VanDerWaalsContact O-O 3.05Å; V642-S645 PolarHBondContact O-OG 3.05Å; P643-S645 PolarHBondContact O-N 2.93Å; S645-L647 VanDerWaalsContact C-N 3.28Å; S645-L647 PolarHBondContact OG-N 3.48Å
646	H	90.9	Very high	92.6	Very high	43 Å²	43	34.3 Å²	34.3	20%	0.199	16%	0.162	C	C	.	.	S	Bend	trans	-95.3	17.9	173.7	-65.3	-175.9	0	0	0	112.2	D602 A662 D663	D602-H646 IonicContact OD1-NE2 3.84Å; D602-H646 IonicContact OD2-CE1 3.69Å; D602-H646 PolarHBondContact OD2-CE1 3.41Å; D602-H646 VanDerWaalsContact OD2-CE1 3.32Å; D602-H646 IonicContact OD2-NE2 3.36Å; D602-H646 PolarHBondContact OD2-NE2 2.97Å; D602-H646 VanDerWaalsContact OD2-NE2 3.16Å; H646-A662 HydrophobicContact CB-CB 4.29Å; H646-A662 WeakPolarHBondContact O-CB 3.35Å; H646-A662 PolarHBondContact O-N 3.05Å; H646-D663 IonicContact CE1-OD1 3.21Å; H646-D663 IonicContact CG-OD1 3.45Å; H646-D663 IonicContact ND1-OD1 3.1Å; H646-D663 PolarHBondContact ND1-OD1 3.2Å; H646-D663 IonicContact ND1-OD2 2.94Å
647	L	92.3	Very high	92.6	Very high	34 Å²	34	34.3 Å²	34.3	18%	0.178	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	140.7	173.4	-57.4	179.6	0	0	0	108.8	Y7 V642 S645 W660 D661 I668	Y7-L647 HydrophobicContact CD1-CD2 4.43Å; Y7-L647 HydrophobicContact CE1-CD2 4.1Å; V642-L647 HydrophobicContact CB-CB 4.34Å; V642-L647 HydrophobicContact CG2-CB 4.3Å; V642-L647 PolarHBondContact N-O 3.29Å; S645-L647 VanDerWaalsContact C-N 3.28Å; S645-L647 PolarHBondContact OG-N 3.48Å; L647-W660 WeakPolarHBondContact CA-O 3.28Å; L647-D661 HydrophobicContact CD2-CB 4.09Å; L647-I668 HydrophobicContact CD2-CD1 3.54Å
648	F	94.3	Very high	92.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155.8	175.3	66.6	-83.8	0	0	0	111.8	V615 I617 L629 L639 Q640 F641 T650 W660 A662	V615-F648 HydrophobicContact CG1-CE2 4.07Å; V615-F648 HydrophobicContact CG1-CZ 4.37Å; I617-F648 HydrophobicContact CD1-CE1 3.88Å; I617-F648 HydrophobicContact CD1-CZ 3.95Å; I617-F648 HydrophobicContact CG1-CE1 4.47Å; I617-F648 HydrophobicContact CG1-CZ 4.4Å; L629-F648 HydrophobicContact CD1-CZ 4.3Å; L639-F648 HydrophobicContact CD1-CD2 4.21Å; L639-F648 HydrophobicContact CD1-CE2 4.3Å; L639-F648 HydrophobicContact CD2-CD2 4.4Å; L639-F648 HydrophobicContact CG-CD2 4.17Å; Q640-F648 WeakPolarHBondContact O-CA 3.38Å; Q640-F648 WeakPolarHBondContact O-CB 3.12Å; F641-F648 HydrophobicContact CD1-CB 3.68Å; F641-F648 HydrophobicContact CD1-CD1 4.45Å; F641-F648 HydrophobicContact CD1-CG 4.48Å; F641-F648 HydrophobicContact CE1-CB 3.88Å; F641-F648 AromaticContact CE1-CD1 3.85Å; F641-F648 HydrophobicContact CE1-CD1 3.85Å; F641-F648 HydrophobicContact CE1-CG 4.19Å; F641-F648 HydrophobicContact CG-CB 4.02Å; F641-F648 HydrophobicContact CZ-CB 4.39Å; F641-F648 HydrophobicContact CZ-CD1 4.26Å; F641-F648 HydrophobicContact CZ-CG 4.49Å; F648-T650 HydrophobicContact CD2-CG2 3.78Å; F648-T650 HydrophobicContact CE2-CG2 3.56Å; F648-W660 HydrophobicContact CD1-CB 3.92Å; F648-W660 HydrophobicContact CD2-CB 4.13Å; F648-W660 HydrophobicContact CD2-CG 4.45Å; F648-W660 HydrophobicContact CE1-CB 3.4Å; F648-W660 VanDerWaalsContact CE1-CB 3.4Å; F648-W660 HydrophobicContact CE1-CG 4.33Å; F648-W660 HydrophobicContact CE2-CB 3.64Å; F648-W660 AromaticContact CE2-CD1 3.61Å; F648-W660 AromaticContact CE2-CG 3.75Å; F648-W660 HydrophobicContact CE2-CG 3.75Å; F648-W660 HydrophobicContact CG-CB 4.26Å; F648-W660 HydrophobicContact CZ-CB 3.25Å; F648-W660 AromaticContact CZ-CG 3.68Å; F648-W660 HydrophobicContact CZ-CG 3.68Å; F648-W660 PolarHBondContact N-O 2.96Å; F648-W660 PolarHBondContact O-N 3.11Å; F648-A662 HydrophobicContact CD1-CB 4Å; F648-A662 HydrophobicContact CE1-CB 3.87Å
649	F	95.6	Very high	92.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	143	174.2	-70.9	-75.6	0	0	0	110.5	Y10 L639 Q640 V642 I657 K658 Q659 L671 L681 V683 V690	Y10-F649 HydrophobicContact CD1-CZ 4.26Å; Y10-F649 HydrophobicContact CD2-CE1 4.41Å; Y10-F649 AromaticContact CD2-CZ 3.8Å; Y10-F649 HydrophobicContact CD2-CZ 3.8Å; Y10-F649 HydrophobicContact CE1-CE2 4.42Å; Y10-F649 HydrophobicContact CE1-CZ 4.02Å; Y10-F649 HydrophobicContact CE2-CE2 4.3Å; Y10-F649 AromaticContact CE2-CZ 3.55Å; Y10-F649 HydrophobicContact CE2-CZ 3.55Å; Y10-F649 HydrophobicContact CG-CZ 4.13Å; Y10-F649 AromaticContact CZ-CZ 3.63Å; L639-F649 WeakPolarHBondContact CA-O 3.42Å; Q640-F649 PolarHBondContact N-O 2.7Å; Q640-F649 VanDerWaalsContact N-O 3.1Å; Q640-F649 PolarHBondContact O-N 3.45Å; V642-F649 HydrophobicContact CG2-CD2 3.85Å; V642-F649 HydrophobicContact CG2-CE2 3.52Å; F649-I657 HydrophobicContact CD1-CG2 4.04Å; F649-K658 CarbonylContact C-O 3.53Å; F649-K658 WeakPolarHBondContact CA-O 3.45Å; F649-Q659 HydrophobicContact CD1-CB 3.88Å; F649-Q659 HydrophobicContact CD1-CG 4.04Å; F649-Q659 HydrophobicContact CE1-CB 3.59Å; F649-Q659 HydrophobicContact CE1-CG 3.58Å; F649-Q659 HydrophobicContact CZ-CB 4.44Å; F649-Q659 HydrophobicContact CZ-CG 3.96Å; F649-L671 HydrophobicContact CE1-CD1 4.07Å; F649-L681 HydrophobicContact CB-CD1 3.95Å; F649-L681 HydrophobicContact CB-CD2 4.05Å; F649-V683 HydrophobicContact CD2-CG2 3.95Å; F649-V690 HydrophobicContact CD2-CG2 4.05Å; F649-V690 HydrophobicContact CE2-CG2 3.55Å; F649-V690 HydrophobicContact CZ-CG2 3.95Å
650	T	94.9	Very high	92.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.8	171.1	59.5	0	0	0	0	109	V615 H632 L639 F648 I657 K658 W660	V615-T650 HydrophobicContact CG2-CG2 3.89Å; H632-T650 WeakPolarHBondContact NE2-CB 3.49Å; H632-T650 PolarHBondContact NE2-O 3.04Å; H632-T650 PolarHBondContact NE2-OG1 3.43Å; L639-T650 HydrophobicContact CD1-CG2 4.15Å; L639-T650 HydrophobicContact CG-CG2 4.36Å; F648-T650 HydrophobicContact CD2-CG2 3.78Å; F648-T650 HydrophobicContact CE2-CG2 3.56Å; T650-I657 CarbonylContact O-C 3.52Å; T650-I657 VanDerWaalsContact O-CA 3.29Å; T650-I657 WeakPolarHBondContact O-CA 3.24Å; T650-K658 PolarHBondContact N-O 2.83Å; T650-K658 PolarHBondContact O-N 2.87Å; T650-K658 PolarHBondContact OG1-O 3.15Å; T650-W660 PolarHBondContact OG1-NE1 2.97Å
651	A	94.8	Very high	92.4	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.008	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.8	174.9	0	0	0	0	0	109.6	M637 Y638 I678 L681	M637-A651 PolarHBondContact N-O 3.01Å; Y638-A651 PolarHBondContact N-O 2.8Å; Y638-A651 PolarHBondContact O-N 2.98Å; A651-I678 HydrophobicContact CB-CB 4.27Å; A651-I678 HydrophobicContact CB-CG2 3.72Å; A651-L681 HydrophobicContact CB-CB 4.34Å; A651-L681 HydrophobicContact CB-CD1 4.45Å
652	G	93.6	Very high	92.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	158.4	-177.5	0	0	0	0	0	113.6	D654 H655 K656 I678	G652-D654 WeakPolarHBondContact CA-OD1 3.35Å; G652-D654 PolarHBondContact O-N 3.19Å; G652-H655 PolarHBondContact O-N 2.89Å; G652-K656 PolarHBondContact N-O 3.49Å; G652-K656 VanDerWaalsContact N-O 3.08Å; G652-I678 PolarHBondContact O-N 3.34Å
653	K	93.5	Very high	92.1	Very high	63 Å²	63	31.7 Å²	31.7	27%	0.274	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-19.5	168	-169.1	174.2	171.1	-150	0	112.2	D634 S635 M637 H655 E677	D634-K653 HydrophobicContact CB-CB 4Å; D634-K653 VanDerWaalsContact OD2-CD 3.22Å; D634-K653 WeakPolarHBondContact OD2-CD 3.36Å; D634-K653 WeakPolarHBondContact OD2-CG 3.25Å; D634-K653 IonicContact OD2-NZ 2.71Å; S635-K653 WeakPolarHBondContact O-CB 3.32Å; S635-K653 PolarHBondContact O-N 3.01Å; S635-K653 WeakPolarHBondContact OG-CB 3.27Å; S635-K653 WeakPolarHBondContact OG-CD 3.41Å; M637-K653 HydrophobicContact CG-CB 4.25Å; K653-H655 PolarHBondContact O-CE1 2.8Å; K653-H655 VanDerWaalsContact O-CE1 3.29Å; K653-H655 PolarHBondContact O-N 2.98Å; K653-H655 VanDerWaalsContact O-N 3.09Å; K653-H655 PolarHBondContact O-ND1 2.84Å; K653-E677 HydrophobicContact CD-CG 4.42Å; K653-E677 WeakPolarHBondContact CE-OE1 3.41Å; K653-E677 WeakPolarHBondContact CE-OE2 3.43Å; K653-E677 HydrophobicContact CG-CB 3.92Å; K653-E677 VanDerWaalsContact CG-CD 3.46Å; K653-E677 HydrophobicContact CG-CG 3.51Å; K653-E677 IonicContact NZ-OE1 3.96Å
654	D	90.4	Very high	92.1	Very high	25 Å²	25	34.2 Å²	34.2	13%	0.134	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	10.1	172.7	66.8	-5.3	0	0	0	115.1	H632 D633 D634 G652 K656	H632-D654 WeakPolarHBondContact CA-OD2 3.48Å; H632-D654 VanDerWaalsContact CB-OD2 3.26Å; H632-D654 WeakPolarHBondContact CB-OD2 3.46Å; H632-D654 IonicContact CE1-OD1 2.82Å; H632-D654 IonicContact CG-OD1 3.91Å; H632-D654 IonicContact CG-OD2 2.98Å; H632-D654 VanDerWaalsContact ND1-CG 3.31Å; H632-D654 IonicContact ND1-OD1 3.44Å; H632-D654 PolarHBondContact ND1-OD1 3.09Å; H632-D654 IonicContact ND1-OD2 3.97Å; H632-D654 PolarHBondContact ND1-OD2 2.9Å; D633-D654 HydrophobicContact CB-CB 4.37Å; D633-D654 PolarHBondContact N-OD2 3.17Å; D633-D654 VanDerWaalsContact N-OD2 3.07Å; D634-D654 HydrophobicContact CB-CB 4.23Å; G652-D654 WeakPolarHBondContact CA-OD1 3.35Å; G652-D654 PolarHBondContact O-N 3.19Å; D654-K656 PolarHBondContact O-N 2.75Å; D654-K656 PolarHBondContact OD1-N 2.76Å
655	H	91.1	Very high	92.1	Very high	70 Å²	70	28.2 Å²	28.2	32%	0.324	13%	0.134	S	C	.	.	S	Bend	trans	71	5.4	177.3	-36.1	-31.7	0	0	0	114.5	G652 K653 H674 H675 Q676 E677	G652-H655 PolarHBondContact O-N 2.89Å; K653-H655 PolarHBondContact O-CE1 2.8Å; K653-H655 VanDerWaalsContact O-CE1 3.29Å; K653-H655 PolarHBondContact O-N 2.98Å; K653-H655 VanDerWaalsContact O-N 3.09Å; K653-H655 PolarHBondContact O-ND1 2.84Å; H655-H674 WeakPolarHBondContact CB-O 3.35Å; H655-H675 PolarHBondContact CD2-O 2.85Å; H655-H675 PolarHBondContact NE2-O 3.3Å; H655-Q676 VanDerWaalsContact CE1-C 3.46Å; H655-Q676 WeakPolarHBondContact ND1-CA 3.27Å; H655-Q676 PolarHBondContact ND1-O 3.03Å; H655-E677 PolarHBondContact CE1-N 2.7Å; H655-E677 PolarHBondContact ND1-N 3.17Å
656	K	91.8	Very high	92	Very high	64 Å²	64	29.7 Å²	29.7	28%	0.278	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	147.1	179.8	-58.4	-169.9	-173.3	-150.7	0	110.9	H632 G652 D654 E672	H632-K656 PolarHBondContact CE1-O 3.01Å; G652-K656 PolarHBondContact N-O 3.49Å; G652-K656 VanDerWaalsContact N-O 3.08Å; D654-K656 PolarHBondContact O-N 2.75Å; D654-K656 PolarHBondContact OD1-N 2.76Å; K656-E672 WeakPolarHBondContact CE-OE1 3.45Å; K656-E672 IonicContact NZ-OE1 3.77Å; K656-E672 PolarHBondContact NZ-OE1 2.8Å
657	I	94.8	Very high	92	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.2	165	-61.5	162.8	0	0	0	106.6	F649 T650 L671 I678 L681 S692 W702	F649-I657 HydrophobicContact CD1-CG2 4.04Å; T650-I657 CarbonylContact O-C 3.52Å; T650-I657 VanDerWaalsContact O-CA 3.29Å; T650-I657 WeakPolarHBondContact O-CA 3.24Å; I657-L671 HydrophobicContact CB-CB 4.03Å; I657-L671 HydrophobicContact CG2-CB 4.46Å; I657-L671 HydrophobicContact CG2-CD1 4.2Å; I657-L671 PolarHBondContact N-O 3.04Å; I657-L671 VanDerWaalsContact N-O 3.17Å; I657-L671 PolarHBondContact O-N 2.84Å; I657-I678 HydrophobicContact CD1-CD1 3.89Å; I657-I678 HydrophobicContact CG1-CD1 3.43Å; I657-I678 VanDerWaalsContact CG1-CD1 3.43Å; I657-L681 HydrophobicContact CD1-CD1 4.18Å; I657-L681 HydrophobicContact CG1-CD1 4.34Å; I657-L681 HydrophobicContact CG2-CD1 3.71Å; I657-S692 VanDerWaalsContact CD1-CB 3.43Å; I657-S692 WeakPolarHBondContact CD1-OG 3.15Å; I657-W702 HydrophobicContact CD1-CZ2 4.38Å
658	K	93.5	Very high	91.8	Very high	32 Å²	32	28.1 Å²	28.1	14%	0.139	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.9	179	-67.2	-175.5	-175	-178.5	0	110.6	A631 F649 T650 W660 Q669 T670	A631-K658 WeakPolarHBondContact O-CD 3.42Å; A631-K658 VanDerWaalsContact O-CE 3.29Å; A631-K658 WeakPolarHBondContact O-CE 3.16Å; A631-K658 PolarHBondContact O-NZ 3.19Å; F649-K658 CarbonylContact C-O 3.53Å; F649-K658 WeakPolarHBondContact CA-O 3.45Å; T650-K658 PolarHBondContact N-O 2.83Å; T650-K658 PolarHBondContact O-N 2.87Å; T650-K658 PolarHBondContact OG1-O 3.15Å; K658-W660 HydrophobicContact CB-CZ2 4.19Å; K658-W660 HydrophobicContact CD-CZ2 3.89Å; K658-Q669 WeakPolarHBondContact CA-O 3.38Å; K658-T670 HydrophobicContact CD-CG2 4.15Å; K658-T670 HydrophobicContact CG-CG2 3.82Å
659	Q	93.9	Very high	91.5	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.009	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	134.7	174.2	-167.6	-177	-5.2	0	0	109.9	F649 I668 Q669	F649-Q659 HydrophobicContact CD1-CB 3.88Å; F649-Q659 HydrophobicContact CD1-CG 4.04Å; F649-Q659 HydrophobicContact CE1-CB 3.59Å; F649-Q659 HydrophobicContact CE1-CG 3.58Å; F649-Q659 HydrophobicContact CZ-CB 4.44Å; F649-Q659 HydrophobicContact CZ-CG 3.96Å; Q659-I668 HydrophobicContact CB-CB 4.32Å; Q659-I668 HydrophobicContact CG-CB 4.37Å; Q659-I668 HydrophobicContact CG-CD1 4.19Å; Q659-I668 PolarHBondContact O-N 3.46Å; Q659-Q669 HydrophobicContact CB-CB 4.3Å; Q659-Q669 PolarHBondContact N-O 2.92Å
660	W	93.3	Very high	91.3	Very high	16 Å²	16	29.8 Å²	29.8	6%	0.061	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	148.5	-176	-60.4	91.6	0	0	0	111.5	L629 A631 L647 F648 T650 K658 H667	L629-W660 HydrophobicContact CD1-CD2 4.42Å; L629-W660 HydrophobicContact CD1-CE3 3.96Å; L629-W660 HydrophobicContact CD1-CZ3 4.36Å; L629-W660 HydrophobicContact CD2-CZ3 4.44Å; A631-W660 HydrophobicContact CB-CZ2 3.83Å; L647-W660 WeakPolarHBondContact CA-O 3.28Å; F648-W660 HydrophobicContact CD1-CB 3.92Å; F648-W660 HydrophobicContact CD2-CB 4.13Å; F648-W660 HydrophobicContact CD2-CG 4.45Å; F648-W660 HydrophobicContact CE1-CB 3.4Å; F648-W660 VanDerWaalsContact CE1-CB 3.4Å; F648-W660 HydrophobicContact CE1-CG 4.33Å; F648-W660 HydrophobicContact CE2-CB 3.64Å; F648-W660 AromaticContact CE2-CD1 3.61Å; F648-W660 AromaticContact CE2-CG 3.75Å; F648-W660 HydrophobicContact CE2-CG 3.75Å; F648-W660 HydrophobicContact CG-CB 4.26Å; F648-W660 HydrophobicContact CZ-CB 3.25Å; F648-W660 AromaticContact CZ-CG 3.68Å; F648-W660 HydrophobicContact CZ-CG 3.68Å; F648-W660 PolarHBondContact N-O 2.96Å; F648-W660 PolarHBondContact O-N 3.11Å; T650-W660 PolarHBondContact OG1-NE1 2.97Å; K658-W660 HydrophobicContact CB-CZ2 4.19Å; K658-W660 HydrophobicContact CD-CZ2 3.89Å; W660-H667 HydrophobicContact CE3-CB 3.92Å; W660-H667 HydrophobicContact CH2-CB 3.87Å; W660-H667 AromaticContact CH2-CD2 3.96Å; W660-H667 AromaticContact CZ2-CD2 3.83Å; W660-H667 HydrophobicContact CZ3-CB 3.52Å
661	D	92	Very high	91	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	119.2	166	-164.9	-23.6	0	0	0	109.6	Y7 L647 D663 K664 F665 E666 I668	Y7-D661 HydrophobicContact CE1-CB 4.43Å; Y7-D661 WeakPolarHBondContact CE1-OD2 3.38Å; Y7-D661 PolarHBondContact OH-OD2 2.95Å; L647-D661 HydrophobicContact CD2-CB 4.09Å; D661-D663 VanDerWaalsContact C-N 3.33Å; D661-D663 PolarHBondContact OD1-N 2.8Å; D661-K664 HydrophobicContact CB-CB 4.43Å; D661-F665 WeakPolarHBondContact O-CA 3.01Å; D661-F665 PolarHBondContact O-N 2.86Å; D661-E666 PolarHBondContact N-O 3.31Å; D661-I668 HydrophobicContact CB-CD1 4.03Å; D661-I668 HydrophobicContact CB-CG1 4.4Å
662	A	89.9	Confident	90.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-17.8	177.8	0	0	0	0	0	113.7	L605 I617 F641 H646 F648 F665	L605-A662 HydrophobicContact CD1-CB 3.94Å; I617-A662 HydrophobicContact CD1-CB 4.28Å; F641-A662 HydrophobicContact CE1-CB 4.08Å; H646-A662 HydrophobicContact CB-CB 4.29Å; H646-A662 WeakPolarHBondContact O-CB 3.35Å; H646-A662 PolarHBondContact O-N 3.05Å; F648-A662 HydrophobicContact CD1-CB 4Å; F648-A662 HydrophobicContact CE1-CB 3.87Å; A662-F665 WeakPolarHBondContact O-CD1 3.24Å; A662-F665 WeakPolarHBondContact O-CE1 3.35Å; A662-F665 VanDerWaalsContact O-CZ 3.31Å; A662-F665 WeakPolarHBondContact O-CZ 3.43Å
663	D	89.8	Confident	90.2	Very high	69 Å²	69	34.9 Å²	34.9	37%	0.369	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-46.1	178.8	-67.2	-27.6	0	0	0	111.4	K5 H646 D661 F665	K5-D663 IonicContact NZ-OD2 3.75Å; K5-D663 PolarHBondContact NZ-OD2 2.95Å; H646-D663 IonicContact CE1-OD1 3.21Å; H646-D663 IonicContact CG-OD1 3.45Å; H646-D663 IonicContact ND1-OD1 3.1Å; H646-D663 PolarHBondContact ND1-OD1 3.2Å; H646-D663 IonicContact ND1-OD2 2.94Å; D661-D663 VanDerWaalsContact C-N 3.33Å; D661-D663 PolarHBondContact OD1-N 2.8Å; D663-F665 WeakPolarHBondContact O-CE2 3.28Å
664	K	87.4	Confident	90	Very high	96 Å²	96	32.4 Å²	32.4	42%	0.417	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-17.7	-179.5	-63	-172.6	-169	162.5	0	113.2	Y7 D661 E666	Y7-K664 WeakPolarHBondContact OH-CD 3.47Å; Y7-K664 WeakPolarHBondContact OH-CE 3.48Å; Y7-K664 PolarHBondContact OH-NZ 3.32Å; D661-K664 HydrophobicContact CB-CB 4.43Å; K664-E666 VanDerWaalsContact C-N 3.26Å; K664-E666 HydrophobicContact CB-CB 4.44Å; K664-E666 HydrophobicContact CB-CG 4.07Å; K664-E666 PolarHBondContact O-N 2.75Å
665	F	88.2	Confident	89.9	Confident	43 Å²	43	32.4 Å²	32.4	19%	0.189	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	38.8	-174	-47.5	-78.9	0	0	0	113.5	I617 H626 K627 L629 D661 A662 D663	I617-F665 HydrophobicContact CB-CE1 4.1Å; I617-F665 HydrophobicContact CD1-CD1 3.54Å; I617-F665 HydrophobicContact CD1-CE1 3.73Å; I617-F665 HydrophobicContact CG2-CE1 4Å; H626-F665 HydrophobicContact CB-CE1 3.81Å; H626-F665 HydrophobicContact CB-CZ 3.53Å; K627-F665 HydrophobicContact CB-CD1 3.83Å; K627-F665 HydrophobicContact CB-CE1 4.13Å; K627-F665 HydrophobicContact CB-CG 4.12Å; K627-F665 HydrophobicContact CD-CB 3.41Å; K627-F665 VanDerWaalsContact CD-CB 3.41Å; K627-F665 HydrophobicContact CD-CD1 4.17Å; K627-F665 HydrophobicContact CD-CD2 4.24Å; K627-F665 HydrophobicContact CD-CG 3.7Å; K627-F665 PolarHBondContact NZ-O 3.46Å; L629-F665 HydrophobicContact CD2-CB 4.29Å; D661-F665 WeakPolarHBondContact O-CA 3.01Å; D661-F665 PolarHBondContact O-N 2.86Å; A662-F665 WeakPolarHBondContact O-CD1 3.24Å; A662-F665 WeakPolarHBondContact O-CE1 3.35Å; A662-F665 VanDerWaalsContact O-CZ 3.31Å; A662-F665 WeakPolarHBondContact O-CZ 3.43Å; D663-F665 WeakPolarHBondContact O-CE2 3.28Å
666	E	86.9	Confident	89.9	Confident	65 Å²	65	30.9 Å²	30.9	30%	0.304	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	145	178.1	-66.9	-174.9	137.5	0	0	110.2	D661 K664 R715	D661-E666 PolarHBondContact N-O 3.31Å; K664-E666 VanDerWaalsContact C-N 3.26Å; K664-E666 HydrophobicContact CB-CB 4.44Å; K664-E666 HydrophobicContact CB-CG 4.07Å; K664-E666 PolarHBondContact O-N 2.75Å; E666-R715 IonicContact OE1-NH2 2.64Å
667	H	89.4	Confident	89.9	Confident	42 Å²	42	30.5 Å²	30.5	19%	0.194	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	126.4	166.8	179.1	-110.7	0	0	0	108.5	W660 Q669 T670 E718	W660-H667 HydrophobicContact CE3-CB 3.92Å; W660-H667 HydrophobicContact CH2-CB 3.87Å; W660-H667 AromaticContact CH2-CD2 3.96Å; W660-H667 AromaticContact CZ2-CD2 3.83Å; W660-H667 HydrophobicContact CZ3-CB 3.52Å; H667-Q669 PolarHBondContact NE2-O 2.87Å; H667-T670 PolarHBondContact CE1-N 3.16Å; H667-E718 IonicContact CE1-OE1 3.11Å; H667-E718 PolarHBondContact CE1-OE1 3.15Å; H667-E718 IonicContact ND1-OE1 3.14Å
668	I	88.9	Confident	89.9	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-62	179.4	-60.9	165.4	0	0	0	109.5	Y7 L647 Q659 D661 L709 L711	Y7-I668 HydrophobicContact CD1-CD1 3.5Å; Y7-I668 VanDerWaalsContact CD1-CD1 3.5Å; Y7-I668 HydrophobicContact CD1-CG1 4.04Å; Y7-I668 HydrophobicContact CD1-CG2 4.28Å; Y7-I668 HydrophobicContact CE1-CD1 3.52Å; Y7-I668 HydrophobicContact CE1-CG1 4.03Å; Y7-I668 HydrophobicContact CG-CD1 4.28Å; Y7-I668 HydrophobicContact CG-CG1 4.4Å; Y7-I668 HydrophobicContact CG-CG2 4.03Å; L647-I668 HydrophobicContact CD2-CD1 3.54Å; Q659-I668 HydrophobicContact CB-CB 4.32Å; Q659-I668 HydrophobicContact CG-CB 4.37Å; Q659-I668 HydrophobicContact CG-CD1 4.19Å; Q659-I668 PolarHBondContact O-N 3.46Å; D661-I668 HydrophobicContact CB-CD1 4.03Å; D661-I668 HydrophobicContact CB-CG1 4.4Å; I668-L709 HydrophobicContact CG2-CD1 4.2Å; I668-L709 HydrophobicContact CG2-CD2 4.24Å; I668-L711 HydrophobicContact CB-CD2 4.32Å; I668-L711 HydrophobicContact CG1-CD2 4.43Å; I668-L711 HydrophobicContact CG2-CD2 4.12Å
669	Q	88.5	Confident	89.9	Confident	5 Å²	5	31.4 Å²	31.4	2%	0.023	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	136	-168.7	-170.4	-180	12.7	0	0	112.6	Y10 K658 Q659 H667 L671 L709 E714	Y10-Q669 PolarHBondContact O-NE2 3.03Å; K658-Q669 WeakPolarHBondContact CA-O 3.38Å; Q659-Q669 HydrophobicContact CB-CB 4.3Å; Q659-Q669 PolarHBondContact N-O 2.92Å; H667-Q669 PolarHBondContact NE2-O 2.87Å; Q669-L671 HydrophobicContact CG-CD2 4.15Å; Q669-L709 HydrophobicContact CB-CD1 3.99Å; Q669-L709 HydrophobicContact CG-CD1 4.12Å; Q669-E714 WeakPolarHBondContact CA-OE2 3.36Å; Q669-E714 WeakPolarHBondContact CB-OE2 3.17Å; Q669-E714 WeakPolarHBondContact CG-OE2 3.03Å
670	T	90.4	Very high	89.7	Confident	30 Å²	30	31.4 Å²	31.4	18%	0.184	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	120.3	164.8	34	0	0	0	0	110.3	K658 H667 E718	K658-T670 HydrophobicContact CD-CG2 4.15Å; K658-T670 HydrophobicContact CG-CG2 3.82Å; H667-T670 PolarHBondContact CE1-N 3.16Å; T670-E718 VanDerWaalsContact CG2-OE1 3.29Å; T670-E718 WeakPolarHBondContact CG2-OE1 3.45Å; T670-E718 PolarHBondContact OG1-OE1 2.93Å
671	L	90	Very high	89.8	Confident	6 Å²	6	30.7 Å²	30.7	3%	0.031	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	99.1	172.1	-62.3	177.8	0	0	0	108.8	Y10 F649 I657 Q669 W702	Y10-L671 WeakPolarHBondContact O-CD2 3.46Å; F649-L671 HydrophobicContact CE1-CD1 4.07Å; I657-L671 HydrophobicContact CB-CB 4.03Å; I657-L671 HydrophobicContact CG2-CB 4.46Å; I657-L671 HydrophobicContact CG2-CD1 4.2Å; I657-L671 PolarHBondContact N-O 3.04Å; I657-L671 VanDerWaalsContact N-O 3.17Å; I657-L671 PolarHBondContact O-N 2.84Å; Q669-L671 HydrophobicContact CG-CD2 4.15Å; L671-W702 HydrophobicContact CB-CD2 4.49Å; L671-W702 HydrophobicContact CB-CE3 4.11Å; L671-W702 HydrophobicContact CB-CH2 3.95Å; L671-W702 HydrophobicContact CB-CZ2 4.35Å; L671-W702 HydrophobicContact CB-CZ3 3.81Å; L671-W702 HydrophobicContact CD1-CD2 4Å; L671-W702 HydrophobicContact CD1-CE3 3.98Å; L671-W702 HydrophobicContact CD1-CG 4.24Å; L671-W702 HydrophobicContact CD2-CE3 3.81Å; L671-W702 HydrophobicContact CD2-CZ3 3.92Å; L671-W702 HydrophobicContact CG-CE3 4.18Å; L671-W702 HydrophobicContact CG-CZ3 4.3Å
672	E	86.2	Confident	89.8	Confident	90 Å²	90	30.9 Å²	30.9	42%	0.421	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	140.3	176	-61.5	-171.9	155.2	0	0	110.8	K656	K656-E672 WeakPolarHBondContact CE-OE1 3.45Å; K656-E672 IonicContact NZ-OE1 3.77Å; K656-E672 PolarHBondContact NZ-OE1 2.8Å
673	G	84.3	Confident	90	Very high	12 Å²	12	31.2 Å²	31.2	12%	0.124	15%	0.151	C	C	.	.			trans	171.1	-40.2	174.1	0	0	0	0	0	112.3	H675 R700	G673-H675 PolarHBondContact O-CE1 2.83Å; G673-H675 PolarHBondContact O-ND1 2.85Å; G673-R700 VanDerWaalsContact C-NH1 3.28Å; G673-R700 PolarHBondContact O-NH1 3.33Å; G673-R700 PolarHBondContact O-NH2 2.67Å
674	H	90.4	Very high	90.1	Very high	11 Å²	11	27.9 Å²	27.9	5%	0.051	13%	0.133	C	C	.	.			trans	-64.2	143.7	175.6	-74.6	-65.8	0	0	0	111.1	H655 I678 S692 S694 S698 R700	H655-H674 WeakPolarHBondContact CB-O 3.35Å; H674-I678 HydrophobicContact CB-CD1 3.95Å; H674-I678 HydrophobicContact CB-CG1 3.9Å; H674-S692 PolarHBondContact NE2-OG 2.88Å; H674-S694 WeakPolarHBondContact ND1-CB 3.43Å; H674-S698 PolarHBondContact CE1-OG 2.89Å; H674-S698 PolarHBondContact ND1-OG 3.06Å; H674-R700 VanDerWaalsContact CE1-CG 3.46Å; H674-R700 WeakPolarHBondContact CE1-CG 3.03Å
675	H	88.2	Confident	90.1	Very high	25 Å²	25	26.2 Å²	26.2	12%	0.116	13%	0.132	C	C	.	.	S	Bend	trans	-105.6	-13.5	-176.9	-58.5	100.8	0	0	0	113.3	E45 K65 E67 H655 G673 R700	E45-H675 IonicContact OE2-CE1 2.75Å; E45-H675 PolarHBondContact OE2-CE1 2.84Å; E45-H675 IonicContact OE2-NE2 3.34Å; K65-H675 PolarHBondContact O-NE2 3.44Å; E67-H675 VanDerWaalsContact CD-CG 3.41Å; E67-H675 HydrophobicContact CG-CB 3.49Å; E67-H675 VanDerWaalsContact CG-CB 3.49Å; E67-H675 WeakPolarHBondContact CG-CD2 3.19Å; E67-H675 WeakPolarHBondContact CG-ND1 3.42Å; E67-H675 WeakPolarHBondContact OE1-CB 3.33Å; E67-H675 IonicContact OE1-CG 3.02Å; E67-H675 IonicContact OE1-ND1 3.05Å; H655-H675 PolarHBondContact CD2-O 2.85Å; H655-H675 PolarHBondContact NE2-O 3.3Å; G673-H675 PolarHBondContact O-CE1 2.83Å; G673-H675 PolarHBondContact O-ND1 2.85Å; H675-R700 PolarHBondContact CE1-NH2 3.26Å; H675-R700 VanDerWaalsContact CE1-NH2 3.34Å
676	Q	90.4	Very high	90.1	Very high	37 Å²	37	26.3 Å²	26.3	17%	0.173	14%	0.138	C	C	.	.	S	Bend	trans	-132.1	174.9	175.3	-58.7	-176.2	5.5	0	0	110.5	H655 I678 S694 H695 D696	H655-Q676 VanDerWaalsContact CE1-C 3.46Å; H655-Q676 WeakPolarHBondContact ND1-CA 3.27Å; H655-Q676 PolarHBondContact ND1-O 3.03Å; Q676-I678 PolarHBondContact O-N 3.41Å; Q676-S694 PolarHBondContact O-OG 2.71Å; Q676-H695 HydrophobicContact CB-CB 3.89Å; Q676-H695 PolarHBondContact OE1-CD2 3.06Å; Q676-H695 PolarHBondContact OE1-O 2.69Å; Q676-D696 HydrophobicContact CB-CB 4.16Å; Q676-D696 HydrophobicContact CG-CB 4Å; Q676-D696 VanDerWaalsContact OE1-N 3.15Å
677	E	92.4	Very high	90.1	Very high	57 Å²	57	23.2 Å²	23.2	27%	0.266	12%	0.124	S	C	.	.			trans	-52.8	132.6	-174.1	-52.8	178.4	-179.6	0	0	111.9	K653 H655 S694 H695	K653-E677 HydrophobicContact CD-CG 4.42Å; K653-E677 WeakPolarHBondContact CE-OE1 3.41Å; K653-E677 WeakPolarHBondContact CE-OE2 3.43Å; K653-E677 HydrophobicContact CG-CB 3.92Å; K653-E677 VanDerWaalsContact CG-CD 3.46Å; K653-E677 HydrophobicContact CG-CG 3.51Å; K653-E677 IonicContact NZ-OE1 3.96Å; H655-E677 PolarHBondContact CE1-N 2.7Å; H655-E677 PolarHBondContact ND1-N 3.17Å; E677-S694 CarbonylContact O-C 3.6Å; E677-S694 VanDerWaalsContact O-CA 3.28Å; E677-S694 WeakPolarHBondContact O-CA 3.14Å; E677-S694 PolarHBondContact O-OG 2.85Å; E677-H695 HydrophobicContact CB-CB 4.41Å; E677-H695 PolarHBondContact O-N 2.6Å
678	I	94.6	Very high	90.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	124.4	179.8	-55.5	176.7	0	0	0	108.1	M637 A651 G652 I657 H674 Q676 S693	M637-I678 VanDerWaalsContact CB-O 3.29Å; M637-I678 WeakPolarHBondContact CB-O 3.31Å; M637-I678 WeakPolarHBondContact CG-O 3.1Å; A651-I678 HydrophobicContact CB-CB 4.27Å; A651-I678 HydrophobicContact CB-CG2 3.72Å; G652-I678 PolarHBondContact O-N 3.34Å; I657-I678 HydrophobicContact CD1-CD1 3.89Å; I657-I678 HydrophobicContact CG1-CD1 3.43Å; I657-I678 VanDerWaalsContact CG1-CD1 3.43Å; H674-I678 HydrophobicContact CB-CD1 3.95Å; H674-I678 HydrophobicContact CB-CG1 3.9Å; Q676-I678 PolarHBondContact O-N 3.41Å; I678-S693 WeakPolarHBondContact CA-O 3.35Å; I678-S693 VanDerWaalsContact CG2-O 3.24Å; I678-S693 WeakPolarHBondContact CG2-O 3.42Å
679	W	92.3	Very high	90.3	Very high	50 Å²	50	25.5 Å²	25.5	19%	0.189	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-40.9	-174.8	-77.5	104.5	0	0	0	113.1	R419 M637 S693 H695	R419-W679 VanDerWaalsContact NH1-CE2 3.28Å; R419-W679 VanDerWaalsContact NH1-CH2 3.27Å; R419-W679 VanDerWaalsContact NH2-CE3 3.31Å; R419-W679 VanDerWaalsContact NH2-CZ3 3.32Å; M637-W679 HydrophobicContact CE-CE3 3.58Å; M637-W679 HydrophobicContact CE-CH2 4.26Å; M637-W679 HydrophobicContact CE-CZ3 3.28Å; W679-S693 PolarHBondContact N-O 3.34Å; W679-H695 AromaticContact NE1-CG 3.98Å; W679-H695 AromaticContact NE1-ND1 3.61Å
680	C	91.1	Very high	90.6	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.014	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	157.6	179.4	65.6	0	0	0	0	111.9	T420 L421 Y638 S693	T420-C680 WeakPolarHBondContact CA-SG 3.43Å; T420-C680 PolarHBondContact N-SG 3.35Å; L421-C680 WeakPolarHBondContact CG-SG 3.44Å; L421-C680 PolarHBondContact N-SG 2.77Å; Y638-C680 HydrophobicContact CD2-CB 4.16Å; Y638-C680 HydrophobicContact CE2-CB 4.4Å; C680-S693 PolarHBondContact O-N 3.19Å; C680-S693 PolarHBondContact SG-OG 2.69Å
681	L	94.1	Very high	90.7	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	144.6	179.1	-179.9	148.3	0	0	0	107.1	Y638 Q640 F649 A651 I657 V683 V690 V691	Y638-L681 HydrophobicContact CD1-CB 3.93Å; Y638-L681 VanDerWaalsContact CD1-O 3.27Å; Y638-L681 WeakPolarHBondContact CD1-O 3.5Å; Y638-L681 WeakPolarHBondContact CE1-O 3.28Å; Q640-L681 HydrophobicContact CB-CD2 4.18Å; F649-L681 HydrophobicContact CB-CD1 3.95Å; F649-L681 HydrophobicContact CB-CD2 4.05Å; A651-L681 HydrophobicContact CB-CB 4.34Å; A651-L681 HydrophobicContact CB-CD1 4.45Å; I657-L681 HydrophobicContact CD1-CD1 4.18Å; I657-L681 HydrophobicContact CG1-CD1 4.34Å; I657-L681 HydrophobicContact CG2-CD1 3.71Å; L681-V683 HydrophobicContact CD2-CG2 3.74Å; L681-V690 HydrophobicContact CD1-CG1 3.82Å; L681-V690 HydrophobicContact CD2-CG1 3.8Å; L681-V690 HydrophobicContact CG-CG1 3.65Å; L681-V691 CarbonylContact C-O 3.48Å; L681-V691 WeakPolarHBondContact CA-O 3.46Å
682	A	93.4	Very high	90.9	Very high	5 Å²	5	23.5 Å²	23.5	4%	0.041	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.2	172.5	0	0	0	0	0	108.4	L421 F423 Q640 V690 V691	L421-A682 HydrophobicContact CB-CB 3.86Å; F423-A682 HydrophobicContact CD2-CB 3.82Å; F423-A682 HydrophobicContact CE2-CB 4.2Å; F423-A682 VanDerWaalsContact CE2-O 3.29Å; F423-A682 WeakPolarHBondContact CE2-O 3.37Å; Q640-A682 VanDerWaalsContact OE1-CA 3.26Å; A682-V690 CarbonylContact O-C 3.51Å; A682-V690 WeakPolarHBondContact O-CA 3.42Å; A682-V691 PolarHBondContact N-O 3.5Å; A682-V691 PolarHBondContact O-N 3.43Å
683	V	93.6	Very high	91.3	Very high	7 Å²	7	19.2 Å²	19.2	4%	0.042	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	137.7	172.3	-176.4	0	0	0	0	108.8	F423 Q640 V642 F649 L681 V690	F423-V683 VanDerWaalsContact CD2-C 3.5Å; Q640-V683 HydrophobicContact CB-CG2 4.09Å; Q640-V683 HydrophobicContact CG-CB 4.39Å; Q640-V683 HydrophobicContact CG-CG2 4.04Å; V642-V683 HydrophobicContact CG2-CG1 4.27Å; F649-V683 HydrophobicContact CD2-CG2 3.95Å; L681-V683 HydrophobicContact CD2-CG2 3.74Å; V683-V690 HydrophobicContact CG1-CG2 4.44Å; V683-V690 HydrophobicContact CG2-CG2 4.24Å
684	S	91.6	Very high	91.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.097	C	C	.	.			trans	-62.7	143.6	174.1	57.7	0	0	0	0	111.5	S686 G687 D688 Y689	S684-S686 PolarHBondContact O-N 2.68Å; S684-G687 PolarHBondContact O-N 3.45Å; S684-G687 PolarHBondContact OG-N 2.82Å; S684-D688 PolarHBondContact OG-N 2.89Å; S684-D688 VanDerWaalsContact OG-N 3.17Å; S684-Y689 WeakPolarHBondContact CB-O 3.26Å; S684-Y689 PolarHBondContact N-O 3.29Å; S684-Y689 PolarHBondContact OG-N 2.98Å; S684-Y689 PolarHBondContact OG-O 2.81Å
685	P	87.4	Confident	91.7	Very high	61 Å²	61	21.7 Å²	21.7	40%	0.396	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49	-25.5	169.7	-31.5	28.6	0	0	0	116.1	N427	N427-P685 WeakPolarHBondContact OD1-CD 3.37Å
686	S	87.8	Confident	91.6	Very high	45 Å²	45	20.9 Å²	20.9	32%	0.315	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-20.6	174.1	69.5	0	0	0	0	114.3	N427 S684 D688	N427-S686 WeakPolarHBondContact ND2-CB 3.43Å; N427-S686 PolarHBondContact ND2-OG 3.48Å; S684-S686 PolarHBondContact O-N 2.68Å; S686-D688 WeakPolarHBondContact CB-OD2 3.44Å; S686-D688 PolarHBondContact OG-N 3.03Å; S686-D688 PolarHBondContact OG-OD2 2.85Å
687	G	87.6	Confident	91.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	79.5	14.4	-175.2	0	0	0	0	0	114.5	Y10 S684	Y10-G687 PolarHBondContact OH-O 2.88Å; S684-G687 PolarHBondContact O-N 3.45Å; S684-G687 PolarHBondContact OG-N 2.82Å
688	D	90	Very high	91.4	Very high	53 Å²	53	17.3 Å²	17.3	28%	0.283	9%	0.091	S	C	.	.	S	Bend	trans	-92.3	-27.9	179.1	-60	-53.7	0	0	0	112.8	S684 S686 R704	S684-D688 PolarHBondContact OG-N 2.89Å; S684-D688 VanDerWaalsContact OG-N 3.17Å; S686-D688 WeakPolarHBondContact CB-OD2 3.44Å; S686-D688 PolarHBondContact OG-N 3.03Å; S686-D688 PolarHBondContact OG-OD2 2.85Å; D688-R704 VanDerWaalsContact O-CB 3.31Å; D688-R704 WeakPolarHBondContact O-CB 3.36Å; D688-R704 PolarHBondContact O-N 2.91Å; D688-R704 IonicContact OD1-CZ 3.37Å; D688-R704 IonicContact OD1-NE 3.27Å; D688-R704 PolarHBondContact OD1-NE 3.13Å; D688-R704 IonicContact OD1-NH2 3.97Å; D688-R704 PolarHBondContact OD1-NH2 2.63Å
689	Y	92.5	Very high	91.3	Very high	38 Å²	38	17.3 Å²	17.3	15%	0.149	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144.4	-176.5	-59.6	-75.4	0	0	0	111.3	R443 S684 L701 W702 E703	R443-Y689 PolarHBondContact NH1-OH 2.97Å; S684-Y689 WeakPolarHBondContact CB-O 3.26Å; S684-Y689 PolarHBondContact N-O 3.29Å; S684-Y689 PolarHBondContact OG-N 2.98Å; S684-Y689 PolarHBondContact OG-O 2.81Å; Y689-L701 HydrophobicContact CD1-CD1 4.19Å; Y689-L701 HydrophobicContact CD1-CG 4.48Å; Y689-L701 HydrophobicContact CG-CD1 4.48Å; Y689-W702 VanDerWaalsContact CA-O 3.32Å; Y689-W702 WeakPolarHBondContact CA-O 3.4Å; Y689-E703 HydrophobicContact CD1-CB 4.03Å; Y689-E703 HydrophobicContact CD1-CG 4.11Å; Y689-E703 HydrophobicContact CE1-CB 3.89Å; Y689-E703 VanDerWaalsContact CE1-CD 3.49Å; Y689-E703 HydrophobicContact CE1-CG 3.55Å; Y689-E703 VanDerWaalsContact CE1-OE1 3.3Å; Y689-E703 WeakPolarHBondContact CE1-OE1 3.32Å; Y689-E703 PolarHBondContact OH-OE1 2.81Å
690	V	94.1	Very high	91.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136	171.2	-178.2	0	0	0	0	108.3	Y10 F649 L681 A682 V683 L701 W702	Y10-V690 HydrophobicContact CD1-CG2 4.27Å; Y10-V690 HydrophobicContact CE1-CG2 3.83Å; F649-V690 HydrophobicContact CD2-CG2 4.05Å; F649-V690 HydrophobicContact CE2-CG2 3.55Å; F649-V690 HydrophobicContact CZ-CG2 3.95Å; L681-V690 HydrophobicContact CD1-CG1 3.82Å; L681-V690 HydrophobicContact CD2-CG1 3.8Å; L681-V690 HydrophobicContact CG-CG1 3.65Å; A682-V690 CarbonylContact O-C 3.51Å; A682-V690 WeakPolarHBondContact O-CA 3.42Å; V683-V690 HydrophobicContact CG1-CG2 4.44Å; V683-V690 HydrophobicContact CG2-CG2 4.24Å; V690-L701 CarbonylContact O-C 3.58Å; V690-L701 WeakPolarHBondContact O-CA 3.34Å; V690-W702 HydrophobicContact CB-CB 4.19Å; V690-W702 PolarHBondContact N-O 3.25Å; V690-W702 PolarHBondContact O-N 3.09Å
691	V	93.8	Very high	91.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.8	171.3	177.2	0	0	0	0	108.6	F16 L421 F423 V430 L681 A682 R700 L701	F16-V691 HydrophobicContact CZ-CG1 4.45Å; L421-V691 HydrophobicContact CD1-CB 4.5Å; L421-V691 HydrophobicContact CD1-CG1 3.8Å; L421-V691 HydrophobicContact CD2-CG1 4.13Å; F423-V691 HydrophobicContact CE1-CG2 4.14Å; F423-V691 HydrophobicContact CE2-CB 4.15Å; F423-V691 HydrophobicContact CE2-CG2 3.88Å; F423-V691 HydrophobicContact CZ-CB 4.17Å; F423-V691 HydrophobicContact CZ-CG2 3.4Å; V430-V691 HydrophobicContact CG1-CB 4.5Å; V430-V691 HydrophobicContact CG1-CG1 4.19Å; V430-V691 HydrophobicContact CG1-CG2 4.31Å; V430-V691 HydrophobicContact CG2-CG2 4.09Å; L681-V691 CarbonylContact C-O 3.48Å; L681-V691 WeakPolarHBondContact CA-O 3.46Å; A682-V691 PolarHBondContact N-O 3.5Å; A682-V691 PolarHBondContact O-N 3.43Å; V691-R700 CarbonylContact C-O 3.56Å; V691-R700 VanDerWaalsContact CA-O 3.27Å; V691-R700 WeakPolarHBondContact CA-O 3.5Å; V691-L701 HydrophobicContact CG2-CD1 3.51Å
692	S	93.9	Very high	91.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	147.1	174.7	52.5	0	0	0	0	111.8	I657 H674 L699 R700 W702	I657-S692 VanDerWaalsContact CD1-CB 3.43Å; I657-S692 WeakPolarHBondContact CD1-OG 3.15Å; H674-S692 PolarHBondContact NE2-OG 2.88Å; S692-L699 WeakPolarHBondContact O-CA 3.5Å; S692-R700 PolarHBondContact N-O 3.32Å; S692-R700 PolarHBondContact O-N 2.88Å; S692-W702 PolarHBondContact OG-NE1 2.83Å
693	S	93.3	Very high	91.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	142.9	174.5	75.8	0	0	0	0	112.2	V418 I678 W679 C680 S698 L699	V418-S693 PolarHBondContact O-OG 2.92Å; I678-S693 WeakPolarHBondContact CA-O 3.35Å; I678-S693 VanDerWaalsContact CG2-O 3.24Å; I678-S693 WeakPolarHBondContact CG2-O 3.42Å; W679-S693 PolarHBondContact N-O 3.34Å; C680-S693 PolarHBondContact O-N 3.19Å; C680-S693 PolarHBondContact SG-OG 2.69Å; S693-S698 WeakPolarHBondContact CA-O 3.47Å; S693-L699 VanDerWaalsContact CB-CD2 3.49Å
694	S	91.9	Very high	91.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	164.9	176.8	171.2	0	0	0	0	112.3	H674 Q676 E677 D696 K697 S698	H674-S694 WeakPolarHBondContact ND1-CB 3.43Å; Q676-S694 PolarHBondContact O-OG 2.71Å; E677-S694 CarbonylContact O-C 3.6Å; E677-S694 VanDerWaalsContact O-CA 3.28Å; E677-S694 WeakPolarHBondContact O-CA 3.14Å; E677-S694 PolarHBondContact O-OG 2.85Å; S694-D696 WeakPolarHBondContact CB-OD1 3.39Å; S694-D696 PolarHBondContact O-N 2.86Å; S694-D696 PolarHBondContact OG-N 3.5Å; S694-D696 PolarHBondContact OG-OD1 3.23Å; S694-K697 PolarHBondContact O-N 2.85Å; S694-S698 PolarHBondContact N-O 3.17Å
695	H	91.1	Very high	91.1	Very high	75 Å²	75	24.7 Å²	24.7	35%	0.347	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-20.3	173.3	-164.9	66.6	0	0	0	112.8	D417 Q676 E677 W679 K697	D417-H695 IonicContact OD2-ND1 3.54Å; Q676-H695 HydrophobicContact CB-CB 3.89Å; Q676-H695 PolarHBondContact OE1-CD2 3.06Å; Q676-H695 PolarHBondContact OE1-O 2.69Å; E677-H695 HydrophobicContact CB-CB 4.41Å; E677-H695 PolarHBondContact O-N 2.6Å; W679-H695 AromaticContact NE1-CG 3.98Å; W679-H695 AromaticContact NE1-ND1 3.61Å; H695-K697 PolarHBondContact O-N 3.03Å
696	D	86.1	Confident	90.9	Very high	8 Å²	8	33.1 Å²	33.1	4%	0.043	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-4.1	170.2	69.9	-0.6	0	0	0	113	C44 Q676 S694 S698	C44-D696 PolarHBondContact SG-OD2 3.45Å; Q676-D696 HydrophobicContact CB-CB 4.16Å; Q676-D696 HydrophobicContact CG-CB 4Å; Q676-D696 VanDerWaalsContact OE1-N 3.15Å; S694-D696 WeakPolarHBondContact CB-OD1 3.39Å; S694-D696 PolarHBondContact O-N 2.86Å; S694-D696 PolarHBondContact OG-N 3.5Å; S694-D696 PolarHBondContact OG-OD1 3.23Å; D696-S698 PolarHBondContact O-N 3.39Å; D696-S698 WeakPolarHBondContact OD1-CA 3.32Å; D696-S698 WeakPolarHBondContact OD1-CB 3.44Å; D696-S698 PolarHBondContact OD1-N 2.95Å; D696-S698 PolarHBondContact OD1-OG 2.74Å; D696-S698 PolarHBondContact OD2-OG 3.37Å
697	K	89.2	Confident	90.8	Very high	18 Å²	18	36.4 Å²	36.4	8%	0.078	16%	0.158	C	C	.	.	S	Bend	trans	72.1	10.6	-178.1	-50.3	166.2	-171.7	-177.6	0	113.1	G17 Q22 Q385 N387 R415 S694 H695	G17-K697 CarbonylContact C-O 3.6Å; Q22-K697 VanDerWaalsContact NE2-CE 3.35Å; Q385-K697 PolarHBondContact O-NZ 2.83Å; N387-K697 HydrophobicContact CB-CD 3.8Å; R415-K697 WeakPolarHBondContact O-CE 3.06Å; R415-K697 PolarHBondContact O-NZ 2.8Å; S694-K697 PolarHBondContact O-N 2.85Å; H695-K697 PolarHBondContact O-N 3.03Å
698	S	90.4	Very high	90.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	18%	0.184	C	C	.	.			trans	-83.5	148	175.9	84.1	0	0	0	0	111.9	H674 S693 S694 D696	H674-S698 PolarHBondContact CE1-OG 2.89Å; H674-S698 PolarHBondContact ND1-OG 3.06Å; S693-S698 WeakPolarHBondContact CA-O 3.47Å; S694-S698 PolarHBondContact N-O 3.17Å; D696-S698 PolarHBondContact O-N 3.39Å; D696-S698 WeakPolarHBondContact OD1-CA 3.32Å; D696-S698 WeakPolarHBondContact OD1-CB 3.44Å; D696-S698 PolarHBondContact OD1-N 2.95Å; D696-S698 PolarHBondContact OD1-OG 2.74Å; D696-S698 PolarHBondContact OD2-OG 3.37Å
699	L	92.4	Very high	90.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.9	168.5	-62.3	177.1	0	0	0	107	V15 F16 V418 L421 W441 S692 S693	V15-L699 WeakPolarHBondContact CA-O 3.28Å; F16-L699 HydrophobicContact CD1-CB 4.22Å; F16-L699 WeakPolarHBondContact CD1-O 3.16Å; F16-L699 HydrophobicContact CD2-CB 3.95Å; F16-L699 HydrophobicContact CD2-CD1 4.02Å; F16-L699 HydrophobicContact CE1-CB 3.99Å; F16-L699 HydrophobicContact CE2-CB 3.71Å; F16-L699 HydrophobicContact CE2-CD1 3.57Å; F16-L699 HydrophobicContact CE2-CG 4.29Å; F16-L699 HydrophobicContact CG-CB 4.21Å; F16-L699 HydrophobicContact CZ-CB 3.73Å; F16-L699 HydrophobicContact CZ-CD1 4.24Å; F16-L699 PolarHBondContact N-O 3.04Å; F16-L699 PolarHBondContact O-N 3.18Å; V418-L699 HydrophobicContact CB-CD2 4.4Å; V418-L699 HydrophobicContact CG1-CD2 4.22Å; V418-L699 HydrophobicContact CG2-CD2 4.28Å; L421-L699 HydrophobicContact CD1-CD2 4.24Å; L421-L699 HydrophobicContact CD2-CD2 3.8Å; L421-L699 HydrophobicContact CG-CD2 4.47Å; W441-L699 HydrophobicContact CZ2-CD1 4.24Å; S692-L699 WeakPolarHBondContact O-CA 3.5Å; S693-L699 VanDerWaalsContact CB-CD2 3.49Å
700	R	92.2	Very high	89.6	Confident	5 Å²	5	41 Å²	41	2%	0.019	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133.3	177.3	-66.2	-172.9	-179	-126.8	-4.8	109.8	A14 V15 E45 G673 H674 H675 V691 S692 W702	A14-R700 WeakPolarHBondContact O-CA 3.35Å; V15-R700 HydrophobicContact CG1-CG 4.39Å; V15-R700 HydrophobicContact CG2-CG 4.16Å; E45-R700 IonicContact OE1-CZ 3.18Å; E45-R700 IonicContact OE1-NH1 3.34Å; E45-R700 PolarHBondContact OE1-NH1 3.06Å; E45-R700 IonicContact OE1-NH2 2.6Å; E45-R700 IonicContact OE2-CZ 2.62Å; E45-R700 IonicContact OE2-NH1 3.38Å; E45-R700 PolarHBondContact OE2-NH1 3.43Å; E45-R700 VanDerWaalsContact OE2-NH1 3.1Å; E45-R700 IonicContact OE2-NH2 3.17Å; E45-R700 PolarHBondContact OE2-NH2 3.32Å; G673-R700 VanDerWaalsContact C-NH1 3.28Å; G673-R700 PolarHBondContact O-NH1 3.33Å; G673-R700 PolarHBondContact O-NH2 2.67Å; H674-R700 VanDerWaalsContact CE1-CG 3.46Å; H674-R700 WeakPolarHBondContact CE1-CG 3.03Å; H675-R700 PolarHBondContact CE1-NH2 3.26Å; H675-R700 VanDerWaalsContact CE1-NH2 3.34Å; V691-R700 CarbonylContact C-O 3.56Å; V691-R700 VanDerWaalsContact CA-O 3.27Å; V691-R700 WeakPolarHBondContact CA-O 3.5Å; S692-R700 PolarHBondContact N-O 3.32Å; S692-R700 PolarHBondContact O-N 2.88Å; R700-W702 HydrophobicContact CB-CZ2 4.24Å
701	L	93.3	Very high	88.8	Confident	9 Å²	9	42.5 Å²	42.5	5%	0.047	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.5	171.3	-179.1	70.2	0	0	0	109.1	S13 A14 F16 F423 L446 Y689 V690 V691	S13-L701 PolarHBondContact N-O 3.41Å; A14-L701 PolarHBondContact N-O 3.45Å; A14-L701 PolarHBondContact O-N 3.5Å; F16-L701 HydrophobicContact CE1-CB 4.23Å; F423-L701 HydrophobicContact CZ-CD1 4.49Å; L446-L701 HydrophobicContact CD2-CD2 4.46Å; Y689-L701 HydrophobicContact CD1-CD1 4.19Å; Y689-L701 HydrophobicContact CD1-CG 4.48Å; Y689-L701 HydrophobicContact CG-CD1 4.48Å; V690-L701 CarbonylContact O-C 3.58Å; V690-L701 WeakPolarHBondContact O-CA 3.34Å; V691-L701 HydrophobicContact CG2-CD1 3.51Å
702	W	93.6	Very high	87.9	Confident	5 Å²	5	49.2 Å²	49.2	2%	0.019	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.7	174.9	-48.9	84.4	0	0	0	108.5	Y10 V11 A12 I657 L671 Y689 V690 S692 R700	Y10-W702 HydrophobicContact CD1-CB 4.44Å; V11-W702 CarbonylContact O-C 3.56Å; V11-W702 WeakPolarHBondContact O-CA 3.37Å; A12-W702 HydrophobicContact CB-CE3 3.83Å; A12-W702 HydrophobicContact CB-CH2 4.15Å; A12-W702 HydrophobicContact CB-CZ3 3.57Å; I657-W702 HydrophobicContact CD1-CZ2 4.38Å; L671-W702 HydrophobicContact CB-CD2 4.49Å; L671-W702 HydrophobicContact CB-CE3 4.11Å; L671-W702 HydrophobicContact CB-CH2 3.95Å; L671-W702 HydrophobicContact CB-CZ2 4.35Å; L671-W702 HydrophobicContact CB-CZ3 3.81Å; L671-W702 HydrophobicContact CD1-CD2 4Å; L671-W702 HydrophobicContact CD1-CE3 3.98Å; L671-W702 HydrophobicContact CD1-CG 4.24Å; L671-W702 HydrophobicContact CD2-CE3 3.81Å; L671-W702 HydrophobicContact CD2-CZ3 3.92Å; L671-W702 HydrophobicContact CG-CE3 4.18Å; L671-W702 HydrophobicContact CG-CZ3 4.3Å; Y689-W702 VanDerWaalsContact CA-O 3.32Å; Y689-W702 WeakPolarHBondContact CA-O 3.4Å; V690-W702 HydrophobicContact CB-CB 4.19Å; V690-W702 PolarHBondContact N-O 3.25Å; V690-W702 PolarHBondContact O-N 3.09Å; S692-W702 PolarHBondContact OG-NE1 2.83Å; R700-W702 HydrophobicContact CB-CZ2 4.24Å
703	E	92.1	Very high	87.1	Confident	72 Å²	72	54.4 Å²	54.4	34%	0.336	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137.1	179.6	178.5	164.8	-146.7	0	0	110	Y10 V11 Y689 T705	Y10-E703 WeakPolarHBondContact CA-O 3.26Å; V11-E703 PolarHBondContact N-O 2.83Å; V11-E703 PolarHBondContact O-N 3.43Å; Y689-E703 HydrophobicContact CD1-CB 4.03Å; Y689-E703 HydrophobicContact CD1-CG 4.11Å; Y689-E703 HydrophobicContact CE1-CB 3.89Å; Y689-E703 VanDerWaalsContact CE1-CD 3.49Å; Y689-E703 HydrophobicContact CE1-CG 3.55Å; Y689-E703 VanDerWaalsContact CE1-OE1 3.3Å; Y689-E703 WeakPolarHBondContact CE1-OE1 3.32Å; Y689-E703 PolarHBondContact OH-OE1 2.81Å; E703-T705 PolarHBondContact O-N 2.87Å
704	R	91.1	Very high	86.2	Confident	92 Å²	92	55.2 Å²	55.2	35%	0.347	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	114	174.5	-169.6	173.1	68.4	159.9	-2	110	L8 R9 Y10 D688	L8-R704 HydrophobicContact CB-CG 3.78Å; L8-R704 HydrophobicContact CD1-CG 4.23Å; R9-R704 WeakPolarHBondContact O-CA 3.3Å; Y10-R704 HydrophobicContact CD1-CB 4.04Å; Y10-R704 HydrophobicContact CE1-CB 3.7Å; Y10-R704 HydrophobicContact CE1-CG 4.29Å; Y10-R704 HydrophobicContact CE2-CB 4.4Å; Y10-R704 HydrophobicContact CE2-CG 4.11Å; D688-R704 VanDerWaalsContact O-CB 3.31Å; D688-R704 WeakPolarHBondContact O-CB 3.36Å; D688-R704 PolarHBondContact O-N 2.91Å; D688-R704 IonicContact OD1-CZ 3.37Å; D688-R704 IonicContact OD1-NE 3.27Å; D688-R704 PolarHBondContact OD1-NE 3.13Å; D688-R704 IonicContact OD1-NH2 3.97Å; D688-R704 PolarHBondContact OD1-NH2 2.63Å
705	T	88.8	Confident	85.4	Confident	37 Å²	37	61 Å²	61	23%	0.227	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	169.6	175.7	68.8	0	0	0	0	110.9	R9 V11 E703	R9-T705 PolarHBondContact O-N 3.24Å; R9-T705 PolarHBondContact O-OG1 3.36Å; V11-T705 HydrophobicContact CB-CG2 4.08Å; V11-T705 HydrophobicContact CG2-CG2 3.67Å; E703-T705 PolarHBondContact O-N 2.87Å
706	R	85.1	Confident	84.7	Confident	238 Å²	238	62.3 Å²	62.3	90%	0.898	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	4.8	175.6	-64	-176.7	-176.7	174.4	1.7	112.9	P708	R706-P708 WeakPolarHBondContact O-CD 3.33Å
707	E	84.4	Confident	84.3	Confident	114 Å²	114	66.5 Å²	66.5	53%	0.533	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	122	-178	-66.8	172.7	169.8	0	0	109.1	R9 L709	R9-E707 PolarHBondContact N-O 2.75Å; E707-L709 PolarHBondContact O-N 3.21Å
708	P	83.5	Confident	83.5	Confident	82 Å²	82	68.6 Å²	68.6	53%	0.532	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	130.7	174.1	29.4	-32.4	0	0	0	109.2	Y7 R706	Y7-P708 CarbonylContact O-C 3.54Å; Y7-P708 WeakPolarHBondContact O-CA 3.48Å; R706-P708 WeakPolarHBondContact O-CD 3.33Å
709	L	79.4	Confident	82.9	Confident	18 Å²	18	75.8 Å²	75.8	9%	0.094	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	126.3	179.1	-172.2	163.6	0	0	0	109.3	Y7 R9 I668 Q669 E707 L711 E714	Y7-L709 PolarHBondContact O-N 3.31Å; R9-L709 HydrophobicContact CB-CD1 4.26Å; R9-L709 HydrophobicContact CG-CD1 4.32Å; I668-L709 HydrophobicContact CG2-CD1 4.2Å; I668-L709 HydrophobicContact CG2-CD2 4.24Å; Q669-L709 HydrophobicContact CB-CD1 3.99Å; Q669-L709 HydrophobicContact CG-CD1 4.12Å; E707-L709 PolarHBondContact O-N 3.21Å; L709-L711 HydrophobicContact CD2-CD2 3.94Å; L709-E714 VanDerWaalsContact CD1-CD 3.44Å; L709-E714 HydrophobicContact CD1-CG 4.42Å; L709-E714 WeakPolarHBondContact CD1-OE1 3.37Å; L709-E714 HydrophobicContact CD2-CG 3.78Å; L709-E714 HydrophobicContact CG-CG 4.02Å; L709-E714 WeakPolarHBondContact CG-OE1 3.34Å
710	I	81.3	Confident	81.9	Confident	87 Å²	87	81.1 Å²	81.1	45%	0.446	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-98.2	117.2	175.1	-61	165.5	0	0	0	107.9	E712 E713 E714	I710-E712 HydrophobicContact CG2-CB 4.31Å; I710-E712 PolarHBondContact O-N 2.86Å; I710-E712 VanDerWaalsContact O-N 3.15Å; I710-E713 HydrophobicContact CB-CB 4.45Å; I710-E713 HydrophobicContact CB-CG 4.02Å; I710-E713 WeakPolarHBondContact CD1-OE1 3.38Å; I710-E713 HydrophobicContact CG2-CG 4.13Å; I710-E713 PolarHBondContact O-N 3.28Å; I710-E713 VanDerWaalsContact O-N 3.13Å; I710-E714 PolarHBondContact O-N 3.05Å
711	L	77.6	Confident	80.9	Confident	32 Å²	32	83 Å²	83	17%	0.168	38%	0.384	C	S	.	.	H	α-helix	trans	-61	-26.4	-173.6	-63.2	176.4	0	0	0	113.6	Y7 I668 L709 R715	Y7-L711 HydrophobicContact CD2-CD1 4.34Å; Y7-L711 HydrophobicContact CD2-CD2 4.09Å; Y7-L711 HydrophobicContact CD2-CG 4.2Å; Y7-L711 HydrophobicContact CE2-CD1 3.87Å; Y7-L711 HydrophobicContact CE2-CD2 4.32Å; Y7-L711 HydrophobicContact CE2-CG 4.24Å; I668-L711 HydrophobicContact CB-CD2 4.32Å; I668-L711 HydrophobicContact CG1-CD2 4.43Å; I668-L711 HydrophobicContact CG2-CD2 4.12Å; L709-L711 HydrophobicContact CD2-CD2 3.94Å; L711-R715 WeakPolarHBondContact O-CG 3.41Å; L711-R715 PolarHBondContact O-N 3.32Å
712	E	76.3	Confident	79.9	Confident	141 Å²	141	88.9 Å²	88.9	66%	0.659	41%	0.411	S	S	*	.	H	α-helix	trans	-70.5	-41.1	177.6	-67.4	179.3	173.5	0	0	111.7	I710 E714 R715 E716	I710-E712 HydrophobicContact CG2-CB 4.31Å; I710-E712 PolarHBondContact O-N 2.86Å; I710-E712 VanDerWaalsContact O-N 3.15Å; E712-E714 VanDerWaalsContact C-N 3.34Å; E712-E714 PolarHBondContact O-N 2.83Å; E712-R715 PolarHBondContact O-N 2.82Å; E712-E716 PolarHBondContact O-N 3Å
713	E	77	Confident	78.9	Confident	110 Å²	110	95.8 Å²	95.8	51%	0.514	44%	0.438	S	S	.	.	H	α-helix	trans	-64.6	-37.8	178.7	-65.1	179.1	169.4	0	0	111.6	I710 E716 M717	I710-E713 HydrophobicContact CB-CB 4.45Å; I710-E713 HydrophobicContact CB-CG 4.02Å; I710-E713 WeakPolarHBondContact CD1-OE1 3.38Å; I710-E713 HydrophobicContact CG2-CG 4.13Å; I710-E713 PolarHBondContact O-N 3.28Å; I710-E713 VanDerWaalsContact O-N 3.13Å; E713-E716 PolarHBondContact O-N 3Å; E713-M717 WeakPolarHBondContact O-CB 3.07Å; E713-M717 PolarHBondContact O-N 2.82Å
714	E	73.2	Confident	77.7	Confident	16 Å²	16	97.3 Å²	97.3	8%	0.075	45%	0.445	C	S	.	.	H	α-helix	trans	-70.7	-35.7	177.2	-66.1	-149.6	154.9	0	0	112.6	R9 Q669 L709 I710 E712 E716 M717 E718	R9-E714 IonicContact CZ-OE1 2.93Å; R9-E714 IonicContact NH1-OE1 2.92Å; R9-E714 PolarHBondContact NH1-OE1 2.97Å; Q669-E714 WeakPolarHBondContact CA-OE2 3.36Å; Q669-E714 WeakPolarHBondContact CB-OE2 3.17Å; Q669-E714 WeakPolarHBondContact CG-OE2 3.03Å; L709-E714 VanDerWaalsContact CD1-CD 3.44Å; L709-E714 HydrophobicContact CD1-CG 4.42Å; L709-E714 WeakPolarHBondContact CD1-OE1 3.37Å; L709-E714 HydrophobicContact CD2-CG 3.78Å; L709-E714 HydrophobicContact CG-CG 4.02Å; L709-E714 WeakPolarHBondContact CG-OE1 3.34Å; I710-E714 PolarHBondContact O-N 3.05Å; E712-E714 VanDerWaalsContact C-N 3.34Å; E712-E714 PolarHBondContact O-N 2.83Å; E714-E716 VanDerWaalsContact C-N 3.27Å; E714-E716 PolarHBondContact O-N 2.83Å; E714-M717 PolarHBondContact O-N 3.33Å; E714-E718 WeakPolarHBondContact O-CB 3.46Å; E714-E718 WeakPolarHBondContact O-CG 3.4Å; E714-E718 PolarHBondContact O-N 3.07Å
715	R	76.3	Confident	76.6	Confident	123 Å²	123	98.3 Å²	98.3	46%	0.464	45%	0.454	S	S	.	.	H	α-helix	trans	-67.4	-29.2	172.1	-70.6	176.6	-174.4	168.2	5.5	112.6	E666 L711 E712 R719	E666-R715 IonicContact OE1-NH2 2.64Å; L711-R715 WeakPolarHBondContact O-CG 3.41Å; L711-R715 PolarHBondContact O-N 3.32Å; E712-R715 PolarHBondContact O-N 2.82Å; R715-R719 WeakPolarHBondContact O-CB 3.46Å; R715-R719 WeakPolarHBondContact O-CG 3.19Å; R715-R719 PolarHBondContact O-N 3.38Å; R715-R719 PolarHBondContact O-NE 3.42Å
716	E	75.6	Confident	75.8	Confident	101 Å²	101	98.9 Å²	98.9	47%	0.472	46%	0.459	S	S	.	.	H	α-helix	trans	-71.6	-45.7	171.1	-76.2	-179.3	171.6	0	0	110.8	E712 E713 E714 E718 R719 E720	E712-E716 PolarHBondContact O-N 3Å; E713-E716 PolarHBondContact O-N 3Å; E714-E716 VanDerWaalsContact C-N 3.27Å; E714-E716 PolarHBondContact O-N 2.83Å; E716-E718 PolarHBondContact O-N 2.81Å; E716-R719 PolarHBondContact O-N 2.97Å; E716-R719 VanDerWaalsContact O-N 3.17Å; E716-R719 IonicContact OE1-NH2 2.76Å; E716-E720 WeakPolarHBondContact O-CG 3.42Å; E716-E720 PolarHBondContact O-N 2.83Å
717	M	76.5	Confident	74.9	Confident	97 Å²	97	88.6 Å²	88.6	48%	0.478	42%	0.423	S	S	.	.	H	α-helix	trans	-60.6	-41	176.4	-169.3	-179.6	-59.4	0	0	112.7	E713 E714 E720 A721	E713-M717 WeakPolarHBondContact O-CB 3.07Å; E713-M717 PolarHBondContact O-N 2.82Å; E714-M717 PolarHBondContact O-N 3.33Å; M717-E720 PolarHBondContact O-N 3.17Å; M717-A721 WeakPolarHBondContact O-CB 3.4Å; M717-A721 PolarHBondContact O-N 2.86Å
718	E	73.3	Confident	73.8	Confident	62 Å²	62	84.8 Å²	84.8	29%	0.29	41%	0.411	S	S	.	.	H	α-helix	trans	-64.1	-44	174.5	-75.9	-179.3	166.6	0	0	111.3	H667 T670 E714 E716 E720 A721 E722	H667-E718 IonicContact CE1-OE1 3.11Å; H667-E718 PolarHBondContact CE1-OE1 3.15Å; H667-E718 IonicContact ND1-OE1 3.14Å; T670-E718 VanDerWaalsContact CG2-OE1 3.29Å; T670-E718 WeakPolarHBondContact CG2-OE1 3.45Å; T670-E718 PolarHBondContact OG1-OE1 2.93Å; E714-E718 WeakPolarHBondContact O-CB 3.46Å; E714-E718 WeakPolarHBondContact O-CG 3.4Å; E714-E718 PolarHBondContact O-N 3.07Å; E716-E718 PolarHBondContact O-N 2.81Å; E718-E720 VanDerWaalsContact C-N 3.35Å; E718-E720 PolarHBondContact O-N 2.74Å; E718-A721 PolarHBondContact O-N 2.91Å; E718-E722 WeakPolarHBondContact O-CG 3.31Å; E718-E722 PolarHBondContact O-N 3.17Å
719	R	76.9	Confident	72.8	Confident	151 Å²	151	87.7 Å²	87.7	57%	0.57	42%	0.415	S	S	*	.	H	α-helix	trans	-64.1	-38.3	175.2	-81.5	-175.7	-71	160.9	-1.5	112.6	R715 E716 A721 E722 Y723	R715-R719 WeakPolarHBondContact O-CB 3.46Å; R715-R719 WeakPolarHBondContact O-CG 3.19Å; R715-R719 PolarHBondContact O-N 3.38Å; R715-R719 PolarHBondContact O-NE 3.42Å; E716-R719 PolarHBondContact O-N 2.97Å; E716-R719 VanDerWaalsContact O-N 3.17Å; E716-R719 IonicContact OE1-NH2 2.76Å; R719-A721 VanDerWaalsContact C-N 3.35Å; R719-E722 PolarHBondContact O-N 2.86Å; R719-Y723 WeakPolarHBondContact O-CB 3.38Å; R719-Y723 PolarHBondContact O-N 2.82Å
720	E	72.6	Confident	71.9	Confident	111 Å²	111	93.8 Å²	93.8	52%	0.519	44%	0.443	S	S	.	.	H	α-helix	trans	-63.9	-40.4	174.6	-75.7	-175.8	179.8	0	0	111.5	E716 M717 E718 Y723 E724	E716-E720 WeakPolarHBondContact O-CG 3.42Å; E716-E720 PolarHBondContact O-N 2.83Å; M717-E720 PolarHBondContact O-N 3.17Å; E718-E720 VanDerWaalsContact C-N 3.35Å; E718-E720 PolarHBondContact O-N 2.74Å; E720-Y723 PolarHBondContact O-N 2.75Å; E720-E724 PolarHBondContact O-N 2.86Å
721	A	70.9	Confident	70.6	Confident	45 Å²	45	96 Å²	96	37%	0.372	46%	0.455	S	S	.	.	H	α-helix	trans	-69	-40.3	176.9	0	0	0	0	0	112.4	M717 E718 R719 Y723 E724 E725	M717-A721 WeakPolarHBondContact O-CB 3.4Å; M717-A721 PolarHBondContact O-N 2.86Å; E718-A721 PolarHBondContact O-N 2.91Å; R719-A721 VanDerWaalsContact C-N 3.35Å; A721-Y723 VanDerWaalsContact C-N 3.3Å; A721-Y723 PolarHBondContact O-N 2.77Å; A721-E724 VanDerWaalsContact O-CB 3.28Å; A721-E724 WeakPolarHBondContact O-CB 3.49Å; A721-E724 PolarHBondContact O-N 3.05Å; A721-E725 PolarHBondContact O-N 3.47Å
722	E	72.1	Confident	69.6	Low	133 Å²	133	98 Å²	98	62%	0.621	46%	0.464	S	S	*	.	H	α-helix	trans	-62.4	-40.7	172.2	-73.2	177.4	178.7	0	0	111.2	E718 R719 E724 E725 S726	E718-E722 WeakPolarHBondContact O-CG 3.31Å; E718-E722 PolarHBondContact O-N 3.17Å; R719-E722 PolarHBondContact O-N 2.86Å; E722-E724 VanDerWaalsContact C-N 3.34Å; E722-E725 PolarHBondContact O-N 2.86Å; E722-S726 PolarHBondContact O-N 2.88Å
723	Y	72.5	Confident	68.4	Low	150 Å²	150	94.3 Å²	94.3	59%	0.588	45%	0.453	S	S	*	.	H	α-helix	trans	-63.4	-40.8	173.4	-174.9	-106.7	0	0	0	111.3	R719 E720 A721 E725 S726 V727	R719-Y723 WeakPolarHBondContact O-CB 3.38Å; R719-Y723 PolarHBondContact O-N 2.82Å; E720-Y723 PolarHBondContact O-N 2.75Å; A721-Y723 VanDerWaalsContact C-N 3.3Å; A721-Y723 PolarHBondContact O-N 2.77Å; Y723-E725 VanDerWaalsContact C-N 3.34Å; Y723-E725 PolarHBondContact O-N 2.91Å; Y723-S726 WeakPolarHBondContact CA-OG 3.35Å; Y723-S726 WeakPolarHBondContact O-CB 3.3Å; Y723-S726 PolarHBondContact O-N 2.81Å; Y723-S726 VanDerWaalsContact O-N 3.1Å; Y723-S726 PolarHBondContact O-OG 3.07Å; Y723-V727 HydrophobicContact CD1-CG2 3.88Å; Y723-V727 HydrophobicContact CD2-CG2 4.38Å; Y723-V727 HydrophobicContact CE1-CG2 3.44Å; Y723-V727 VanDerWaalsContact CE1-CG2 3.44Å; Y723-V727 HydrophobicContact CE2-CG2 3.98Å; Y723-V727 HydrophobicContact CG-CG2 4.33Å; Y723-V727 VanDerWaalsContact CZ-CG2 3.49Å; Y723-V727 WeakPolarHBondContact O-CG2 3.39Å; Y723-V727 PolarHBondContact O-N 2.9Å
724	E	67.9	Low	67.1	Low	103 Å²	103	93.6 Å²	93.6	48%	0.481	47%	0.465	S	S	.	.	H	α-helix	trans	-56	-48.2	174	-167.8	174.2	-171.4	0	0	111.8	E720 A721 E722 S726 V727 A728 I751	E720-E724 PolarHBondContact O-N 2.86Å; A721-E724 VanDerWaalsContact O-CB 3.28Å; A721-E724 WeakPolarHBondContact O-CB 3.49Å; A721-E724 PolarHBondContact O-N 3.05Å; E722-E724 VanDerWaalsContact C-N 3.34Å; E724-S726 PolarHBondContact O-N 2.74Å; E724-V727 PolarHBondContact O-N 3.27Å; E724-A728 VanDerWaalsContact O-CB 3.25Å; E724-A728 WeakPolarHBondContact O-CB 3.41Å; E724-A728 PolarHBondContact O-N 2.82Å; E724-I751 HydrophobicContact CB-CD1 3.43Å; E724-I751 VanDerWaalsContact CB-CD1 3.43Å; E724-I751 HydrophobicContact CB-CG1 4.37Å; E724-I751 HydrophobicContact CG-CD1 3.51Å; E724-I751 HydrophobicContact CG-CG1 4.07Å
725	E	66.8	Low	66.1	Low	114 Å²	114	94.6 Å²	94.6	53%	0.533	47%	0.472	S	S	.	.	H	α-helix	trans	-64.1	-33.5	179.2	-155.6	-167.8	152	0	0	111.4	A721 E722 Y723 K729	A721-E725 PolarHBondContact O-N 3.47Å; E722-E725 PolarHBondContact O-N 2.86Å; Y723-E725 VanDerWaalsContact C-N 3.34Å; Y723-E725 PolarHBondContact O-N 2.91Å; E725-K729 WeakPolarHBondContact O-CD 3.45Å; E725-K729 VanDerWaalsContact O-CG 3.3Å; E725-K729 WeakPolarHBondContact O-CG 3.38Å; E725-K729 PolarHBondContact O-N 2.88Å; E725-K729 WeakPolarHBondContact OE1-CE 3.43Å; E725-K729 IonicContact OE1-NZ 3.84Å; E725-K729 PolarHBondContact OE1-NZ 2.76Å
726	S	71.8	Confident	64.4	Low	48 Å²	48	94.2 Å²	94.2	34%	0.336	49%	0.486	S	S	.	.	H	α-helix	trans	-70.4	-46	175.1	79.2	0	0	0	0	112.6	E722 Y723 E724 A728 K729 E730	E722-S726 PolarHBondContact O-N 2.88Å; Y723-S726 WeakPolarHBondContact CA-OG 3.35Å; Y723-S726 WeakPolarHBondContact O-CB 3.3Å; Y723-S726 PolarHBondContact O-N 2.81Å; Y723-S726 VanDerWaalsContact O-N 3.1Å; Y723-S726 PolarHBondContact O-OG 3.07Å; E724-S726 PolarHBondContact O-N 2.74Å; S726-A728 VanDerWaalsContact C-N 3.32Å; S726-A728 PolarHBondContact O-N 2.68Å; S726-K729 WeakPolarHBondContact O-CB 3.38Å; S726-K729 PolarHBondContact O-N 3.25Å; S726-E730 PolarHBondContact O-N 3.08Å; S726-E730 VanDerWaalsContact O-N 3.13Å
727	V	67.1	Low	63.2	Low	23 Å²	23	93.3 Å²	93.3	14%	0.139	50%	0.503	C	S	.	.	H	α-helix	trans	-64.7	-38.3	178.2	172.2	0	0	0	0	110.8	Y723 E724 K729 E730	Y723-V727 HydrophobicContact CD1-CG2 3.88Å; Y723-V727 HydrophobicContact CD2-CG2 4.38Å; Y723-V727 HydrophobicContact CE1-CG2 3.44Å; Y723-V727 VanDerWaalsContact CE1-CG2 3.44Å; Y723-V727 HydrophobicContact CE2-CG2 3.98Å; Y723-V727 HydrophobicContact CG-CG2 4.33Å; Y723-V727 VanDerWaalsContact CZ-CG2 3.49Å; Y723-V727 WeakPolarHBondContact O-CG2 3.39Å; Y723-V727 PolarHBondContact O-N 2.9Å; E724-V727 PolarHBondContact O-N 3.27Å; V727-K729 PolarHBondContact O-N 3.1Å; V727-E730 PolarHBondContact O-N 2.81Å
728	A	61.2	Low	62	Low	33 Å²	33	92.6 Å²	92.6	27%	0.273	50%	0.499	S	S	.	.	H	α-helix	trans	-62.9	-24.1	175	0	0	0	0	0	113.5	E724 S726	E724-A728 VanDerWaalsContact O-CB 3.25Å; E724-A728 WeakPolarHBondContact O-CB 3.41Å; E724-A728 PolarHBondContact O-N 2.82Å; S726-A728 VanDerWaalsContact C-N 3.32Å; S726-A728 PolarHBondContact O-N 2.68Å
729	K	62.8	Low	60.4	Low	144 Å²	144	95.9 Å²	95.9	63%	0.626	52%	0.523	S	S	*	.	H	α-helix	trans	-91.2	-21.4	178.1	-73.7	171.6	-173.1	165.6	0	113.1	E725 S726 V727	E725-K729 WeakPolarHBondContact O-CD 3.45Å; E725-K729 VanDerWaalsContact O-CG 3.3Å; E725-K729 WeakPolarHBondContact O-CG 3.38Å; E725-K729 PolarHBondContact O-N 2.88Å; E725-K729 WeakPolarHBondContact OE1-CE 3.43Å; E725-K729 IonicContact OE1-NZ 3.84Å; E725-K729 PolarHBondContact OE1-NZ 2.76Å; S726-K729 WeakPolarHBondContact O-CB 3.38Å; S726-K729 PolarHBondContact O-N 3.25Å; V727-K729 PolarHBondContact O-N 3.1Å
730	E	59.5	Low	58.6	Low	146 Å²	146	97.2 Å²	97.2	68%	0.682	54%	0.536	S	S	*	.	S	Bend	trans	-67.2	133.6	175.7	-73.2	-170	167.1	0	0	111.3	S726 V727	S726-E730 PolarHBondContact O-N 3.08Å; S726-E730 VanDerWaalsContact O-N 3.13Å; V727-E730 PolarHBondContact O-N 2.81Å
731	D	54.7	Low	57.5	Low	132 Å²	132	93.5 Å²	93.5	71%	0.706	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-69.9	143	178.6	-91.5	-34.9	0	0	0	111.6	K107	K107-D731 IonicContact NZ-OD1 3.81Å; K107-D731 PolarHBondContact NZ-OD1 2.96Å
732	Q	57.3	Low	56.5	Low	76 Å²	76	95.3 Å²	95.3	36%	0.355	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-56	140.4	-178.5	-69.1	170.6	-0.7	0	0	111.1	A734 G747	Q732-A734 PolarHBondContact O-N 3.2Å; Q732-G747 PolarHBondContact NE2-O 3.33Å
733	P	50.4	Low	55.3	Low	63 Å²	63	90.8 Å²	90.8	41%	0.409	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-62.9	126.1	169.5	28.6	-34	0	0	0	108.6	V735 K749	P733-V735 PolarHBondContact O-N 3.03Å; P733-K749 VanDerWaalsContact CD-CE 3.46Å
734	A	49.1	Very low	54.8	Low	94 Å²	94	87.9 Å²	87.9	78%	0.777	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-56.8	123.8	170.2	0	0	0	0	0	108.9	Q732 P736	Q732-A734 PolarHBondContact O-N 3.2Å; A734-P736 WeakPolarHBondContact O-CD 3.37Å
735	V	52.3	Low	54.3	Low	38 Å²	38	85.2 Å²	85.2	23%	0.23	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-63.6	118.8	173.3	-179.2	0	0	0	0	107.5	P733 G737 L825	P733-V735 PolarHBondContact O-N 3.03Å; V735-G737 PolarHBondContact O-N 2.78Å; V735-L825 HydrophobicContact CG2-CD1 4.22Å
736	P	40.7	Very low	53.8	Low	115 Å²	115	80.2 Å²	80.2	75%	0.747	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	102.7	-178.7	-20.6	33.7	0	0	0	110.9	A734	A734-P736 WeakPolarHBondContact O-CD 3.37Å
737	G	50	Low	53.2	Low	81 Å²	81	78.3 Å²	78.3	84%	0.835	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	136	-13.2	174.8	0	0	0	0	0	116.2	V735	V735-G737 PolarHBondContact O-N 2.78Å
738	E	51.5	Low	53.2	Low	82 Å²	82	79.4 Å²	79.4	38%	0.383	46%	0.458	S	S	.	.			trans	-88.9	119.5	172.3	-78.5	-177.9	167.8	0	0	110.6
739	T	39.4	Very low	53.5	Low	132 Å²	132	81.6 Å²	81.6	81%	0.81	46%	0.461	S	S	*	.			trans	-63.5	143.3	165.4	38.6	0	0	0	0	109.7	G741	T739-G741 PolarHBondContact O-N 3.45Å
740	Q	40.8	Very low	53.9	Low	179 Å²	179	75.8 Å²	75.8	84%	0.836	44%	0.438	S	S	*	.			trans	-63.2	74.9	-178.7	-61.4	178.7	-13.4	0	0	112.9	Y744	Q740-Y744 WeakPolarHBondContact CA-OH 3.27Å; Q740-Y744 WeakPolarHBondContact CB-OH 3.17Å; Q740-Y744 WeakPolarHBondContact CG-OH 3.33Å
741	G	48.6	Very low	54.6	Low	33 Å²	33	70.7 Å²	70.7	34%	0.34	42%	0.415	S	S	.	.			trans	-84.7	173.2	168.5	0	0	0	0	0	112.2	T739 S743 Y744	T739-G741 PolarHBondContact O-N 3.45Å; G741-S743 PolarHBondContact O-N 3.05Å; G741-Y744 WeakPolarHBondContact O-CE2 2.87Å
742	D	49.2	Very low	55.6	Low	82 Å²	82	68.5 Å²	68.5	44%	0.439	40%	0.4	S	S	.	.	S	Bend	trans	-68.9	-5.5	178.5	-73.7	-27.2	0	0	0	114.3	K146 H182	K146-D742 PolarHBondContact N-O 3.06Å; H182-D742 IonicContact ND1-OD2 3.47Å
743	S	47.9	Very low	56.8	Low	38 Å²	38	64.9 Å²	64.9	27%	0.266	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	133.4	177.1	63.8	0	0	0	0	112.6	R144 Q181 G741	R144-S743 WeakPolarHBondContact O-CA 3.47Å; Q181-S743 PolarHBondContact OE1-OG 3.25Å; G741-S743 PolarHBondContact O-N 3.05Å
744	Y	61.5	Low	58.4	Low	90 Å²	90	64 Å²	64	35%	0.353	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	166	174.4	-68.8	-88.3	0	0	0	110.3	R144 Q740 G741	R144-Y744 VanDerWaalsContact CB-O 3.3Å; R144-Y744 WeakPolarHBondContact CB-O 3.39Å; Q740-Y744 WeakPolarHBondContact CA-OH 3.27Å; Q740-Y744 WeakPolarHBondContact CB-OH 3.17Å; Q740-Y744 WeakPolarHBondContact CG-OH 3.33Å; G741-Y744 WeakPolarHBondContact O-CE2 2.87Å
745	F	56.9	Low	60.1	Low	47 Å²	47	64.6 Å²	64.6	21%	0.206	36%	0.362	C	S	.	.			trans	-58.6	140.6	172	-156.3	-104.2	0	0	0	112.1	E821 F858	F745-E821 HydrophobicContact CE1-CB 3.84Å; F745-E821 HydrophobicContact CZ-CB 3.74Å; F745-E821 HydrophobicContact CZ-CG 4.12Å; F745-E821 WeakPolarHBondContact CZ-OE2 3.37Å; F745-F858 HydrophobicContact CD1-CE2 4.15Å; F745-F858 HydrophobicContact CD1-CZ 4.47Å; F745-F858 HydrophobicContact CD2-CE2 4.22Å; F745-F858 AromaticContact CE1-CE2 3.61Å; F745-F858 HydrophobicContact CE1-CE2 3.61Å; F745-F858 AromaticContact CE1-CZ 3.98Å; F745-F858 HydrophobicContact CE1-CZ 3.98Å; F745-F858 HydrophobicContact CE2-CD2 4.21Å; F745-F858 AromaticContact CE2-CE2 3.69Å; F745-F858 HydrophobicContact CE2-CE2 3.69Å; F745-F858 HydrophobicContact CG-CE2 4.43Å; F745-F858 HydrophobicContact CZ-CD2 4.04Å; F745-F858 AromaticContact CZ-CE2 3.35Å; F745-F858 HydrophobicContact CZ-CE2 3.35Å; F745-F858 HydrophobicContact CZ-CZ 4.15Å
746	T	56.4	Low	61.7	Low	8 Å²	8	62.8 Å²	62.8	5%	0.049	35%	0.351	C	S	.	.			trans	-92.9	122.6	-178.6	59.3	0	0	0	0	108.5	I132 G141 R144	I132-T746 HydrophobicContact CG1-CG2 4.35Å; I132-T746 HydrophobicContact CG2-CG2 3.56Å; G141-T746 WeakPolarHBondContact CA-OG1 3.44Å; G141-T746 PolarHBondContact O-OG1 3.37Å; R144-T746 HydrophobicContact CB-CG2 3.67Å
747	G	60.3	Low	64	Low	9 Å²	9	57.3 Å²	57.3	9%	0.093	32%	0.315	C	S	.	.			trans	162.4	134.5	174.1	0	0	0	0	0	114.2	Q732 E822	Q732-G747 PolarHBondContact NE2-O 3.33Å; G747-E822 WeakPolarHBondContact CA-OE1 3.38Å
748	K	67.5	Low	65.9	Low	46 Å²	46	58 Å²	58	20%	0.2	30%	0.297	C	S	.	.			trans	-112.9	118.8	179.4	178.4	-173.1	178.1	-174.2	0	108.5	T750 E822	K748-T750 VanDerWaalsContact O-CG2 3.24Å; K748-T750 WeakPolarHBondContact O-CG2 3.46Å; K748-T750 PolarHBondContact O-N 3.32Å; K748-E822 PolarHBondContact N-OE1 2.83Å
749	K	67.4	Low	67.7	Low	78 Å²	78	59.3 Å²	59.3	34%	0.339	30%	0.298	S	S	.	.			trans	-48.2	113.5	172.8	-68.2	-176.5	175.2	-175.4	0	110.2	P733 E822	P733-K749 VanDerWaalsContact CD-CE 3.46Å; K749-E822 PolarHBondContact N-OE2 3Å
750	T	70.8	Confident	70.1	Confident	23 Å²	23	53 Å²	53	14%	0.141	26%	0.26	C	S	.	.			trans	-109.6	162.7	173.6	65.2	0	0	0	0	109.5	N104 K748 E752 T753 V754	N104-T750 HydrophobicContact CB-CG2 4.27Å; K748-T750 VanDerWaalsContact O-CG2 3.24Å; K748-T750 WeakPolarHBondContact O-CG2 3.46Å; K748-T750 PolarHBondContact O-N 3.32Å; T750-E752 PolarHBondContact O-N 3.41Å; T750-T753 PolarHBondContact N-OG1 2.79Å; T750-T753 PolarHBondContact O-N 3.48Å; T750-T753 PolarHBondContact O-OG1 3.28Å; T750-T753 WeakPolarHBondContact OG1-CG2 3.31Å; T750-T753 PolarHBondContact OG1-N 3.49Å; T750-T753 VanDerWaalsContact OG1-N 3.16Å; T750-V754 PolarHBondContact O-N 2.8Å; T750-V754 VanDerWaalsContact O-N 3.13Å
751	I	73.1	Confident	72.5	Confident	38 Å²	38	46.5 Å²	46.5	20%	0.195	23%	0.23	C	C	.	.	H	α-helix	trans	-60	-35.4	172.4	-68.9	177.7	0	0	0	110.6	E724 T753 V754 K755	E724-I751 HydrophobicContact CB-CD1 3.43Å; E724-I751 VanDerWaalsContact CB-CD1 3.43Å; E724-I751 HydrophobicContact CB-CG1 4.37Å; E724-I751 HydrophobicContact CG-CD1 3.51Å; E724-I751 HydrophobicContact CG-CG1 4.07Å; I751-T753 VanDerWaalsContact C-N 3.31Å; I751-T753 PolarHBondContact O-N 2.91Å; I751-V754 PolarHBondContact O-N 2.75Å; I751-K755 HydrophobicContact CG2-CD 3.84Å; I751-K755 VanDerWaalsContact CG2-CE 3.47Å; I751-K755 HydrophobicContact CG2-CG 4.13Å; I751-K755 WeakPolarHBondContact O-CB 3.38Å; I751-K755 WeakPolarHBondContact O-CG 3.37Å; I751-K755 PolarHBondContact O-N 2.88Å
752	E	76.9	Confident	74.5	Confident	86 Å²	86	51 Å²	51	40%	0.402	24%	0.242	S	C	.	.	H	α-helix	trans	-63.7	-37.5	178.5	-59.4	-175.2	142.5	0	0	111.4	T750 A756 R816 E819	T750-E752 PolarHBondContact O-N 3.41Å; E752-A756 VanDerWaalsContact O-CB 3.28Å; E752-A756 WeakPolarHBondContact O-CB 3.38Å; E752-A756 PolarHBondContact O-N 2.73Å; E752-R816 IonicContact OE1-NH2 2.8Å; E752-R816 PolarHBondContact OE1-NH2 3.28Å; E752-R816 IonicContact OE2-CZ 3.44Å; E752-R816 IonicContact OE2-NH1 3.11Å; E752-R816 IonicContact OE2-NH2 3.93Å; E752-R816 PolarHBondContact OE2-NH2 3.02Å; E752-E819 WeakPolarHBondContact CB-OE1 3.46Å
753	T	81.3	Confident	76.5	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-71.4	-35.4	175.5	61.1	0	0	0	0	112.4	T750 I751 A756 A757 E819 E822	T750-T753 PolarHBondContact N-OG1 2.79Å; T750-T753 PolarHBondContact O-N 3.48Å; T750-T753 PolarHBondContact O-OG1 3.28Å; T750-T753 WeakPolarHBondContact OG1-CG2 3.31Å; T750-T753 PolarHBondContact OG1-N 3.49Å; T750-T753 VanDerWaalsContact OG1-N 3.16Å; I751-T753 VanDerWaalsContact C-N 3.31Å; I751-T753 PolarHBondContact O-N 2.91Å; T753-A756 PolarHBondContact O-N 3.19Å; T753-A757 WeakPolarHBondContact O-CB 3.29Å; T753-A757 PolarHBondContact O-N 3.44Å; T753-E819 HydrophobicContact CG2-CB 3.81Å; T753-E819 HydrophobicContact CG2-CG 4.07Å; T753-E822 HydrophobicContact CG2-CB 3.79Å
754	V	83.8	Confident	78.5	Confident	45 Å²	45	45.3 Å²	45.3	27%	0.273	21%	0.209	S	C	.	.	H	α-helix	trans	-66.2	-47.9	172.5	178.6	0	0	0	0	111.1	T750 I751 A756 A757 E758	T750-V754 PolarHBondContact O-N 2.8Å; T750-V754 VanDerWaalsContact O-N 3.13Å; I751-V754 PolarHBondContact O-N 2.75Å; V754-A756 VanDerWaalsContact C-N 3.26Å; V754-A756 PolarHBondContact O-N 3.19Å; V754-A757 WeakPolarHBondContact O-CB 3.44Å; V754-A757 PolarHBondContact O-N 3.12Å; V754-A757 VanDerWaalsContact O-N 3.08Å; V754-E758 WeakPolarHBondContact O-CG 3.45Å; V754-E758 PolarHBondContact O-N 2.87Å
755	K	85.8	Confident	79.9	Confident	105 Å²	105	45.4 Å²	45.4	46%	0.457	21%	0.213	S	C	.	.	H	α-helix	trans	-61.7	-33.3	175.3	-73.3	179.6	178.6	177	0	112.2	I751 R759	I751-K755 HydrophobicContact CG2-CD 3.84Å; I751-K755 VanDerWaalsContact CG2-CE 3.47Å; I751-K755 HydrophobicContact CG2-CG 4.13Å; I751-K755 WeakPolarHBondContact O-CB 3.38Å; I751-K755 WeakPolarHBondContact O-CG 3.37Å; I751-K755 PolarHBondContact O-N 2.88Å; K755-R759 VanDerWaalsContact O-CG 3.3Å; K755-R759 WeakPolarHBondContact O-CG 3.38Å; K755-R759 PolarHBondContact O-N 2.87Å; K755-R759 VanDerWaalsContact O-N 3.12Å; K755-R759 PolarHBondContact O-NE 3.19Å
756	A	86.2	Confident	81.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-68.5	-43	172.8	0	0	0	0	0	111.5	E752 T753 V754 R759 I760 I815	E752-A756 VanDerWaalsContact O-CB 3.28Å; E752-A756 WeakPolarHBondContact O-CB 3.38Å; E752-A756 PolarHBondContact O-N 2.73Å; T753-A756 PolarHBondContact O-N 3.19Å; V754-A756 VanDerWaalsContact C-N 3.26Å; V754-A756 PolarHBondContact O-N 3.19Å; A756-R759 PolarHBondContact O-N 3.1Å; A756-I760 WeakPolarHBondContact O-CG1 3.43Å; A756-I760 PolarHBondContact O-N 2.86Å; A756-I815 HydrophobicContact CB-CD1 4.24Å; A756-I815 HydrophobicContact CB-CG1 4.16Å; A756-I815 HydrophobicContact CB-CG2 4.25Å
757	A	88.1	Confident	82.9	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.2	-42	175.8	0	0	0	0	0	112	T753 V754 I760 M761 S823 V826 L827	T753-A757 WeakPolarHBondContact O-CB 3.29Å; T753-A757 PolarHBondContact O-N 3.44Å; V754-A757 WeakPolarHBondContact O-CB 3.44Å; V754-A757 PolarHBondContact O-N 3.12Å; V754-A757 VanDerWaalsContact O-N 3.08Å; A757-I760 WeakPolarHBondContact O-CB 3.48Å; A757-I760 PolarHBondContact O-N 2.97Å; A757-M761 WeakPolarHBondContact O-CG 3.21Å; A757-M761 PolarHBondContact O-N 2.9Å; A757-S823 WeakPolarHBondContact CB-O 3.43Å; A757-V826 HydrophobicContact CB-CB 4.03Å; A757-V826 HydrophobicContact CB-CG1 4.05Å; A757-L827 HydrophobicContact CB-CD2 4.23Å
758	E	89.7	Confident	84.3	Confident	96 Å²	96	48.8 Å²	48.8	45%	0.449	22%	0.222	S	C	.	.	H	α-helix	trans	-59.5	-46.4	174	-72.8	173.3	170.1	0	0	111.8	V754 I760 M761 E762	V754-E758 WeakPolarHBondContact O-CG 3.45Å; V754-E758 PolarHBondContact O-N 2.87Å; E758-I760 VanDerWaalsContact C-N 3.28Å; E758-I760 PolarHBondContact O-N 2.84Å; E758-M761 HydrophobicContact CB-CE 4.31Å; E758-M761 HydrophobicContact CG-CE 3.84Å; E758-M761 WeakPolarHBondContact O-CB 3.42Å; E758-M761 PolarHBondContact O-N 3.02Å; E758-E762 WeakPolarHBondContact O-CG 3.4Å; E758-E762 PolarHBondContact O-N 3.15Å
759	R	89.9	Confident	85.2	Confident	109 Å²	109	51.7 Å²	51.7	41%	0.411	24%	0.236	S	C	.	.	H	α-helix	trans	-57.8	-38.9	173.5	-76.7	-178.4	-77.1	159	-6.2	112.7	K755 A756 A763 I811	K755-R759 VanDerWaalsContact O-CG 3.3Å; K755-R759 WeakPolarHBondContact O-CG 3.38Å; K755-R759 PolarHBondContact O-N 2.87Å; K755-R759 VanDerWaalsContact O-N 3.12Å; K755-R759 PolarHBondContact O-NE 3.19Å; A756-R759 PolarHBondContact O-N 3.1Å; R759-A763 WeakPolarHBondContact O-CB 3.45Å; R759-A763 PolarHBondContact O-N 3Å; R759-A763 VanDerWaalsContact O-N 3.11Å; R759-I811 HydrophobicContact CB-CG2 4.44Å
760	I	90.3	Very high	86	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-65.5	-43.8	174.2	-66.6	165.2	0	0	0	110.7	A756 A757 E758 A763 I764 I811 F812 I815 L827	A756-I760 WeakPolarHBondContact O-CG1 3.43Å; A756-I760 PolarHBondContact O-N 2.86Å; A757-I760 WeakPolarHBondContact O-CB 3.48Å; A757-I760 PolarHBondContact O-N 2.97Å; E758-I760 VanDerWaalsContact C-N 3.28Å; E758-I760 PolarHBondContact O-N 2.84Å; I760-A763 WeakPolarHBondContact O-CB 3.45Å; I760-A763 PolarHBondContact O-N 2.96Å; I760-I764 HydrophobicContact CG2-CD1 3.62Å; I760-I764 HydrophobicContact CG2-CG1 4.38Å; I760-I764 WeakPolarHBondContact O-CD1 3.39Å; I760-I764 VanDerWaalsContact O-CG1 3.27Å; I760-I764 WeakPolarHBondContact O-CG1 3.5Å; I760-I764 PolarHBondContact O-N 3.08Å; I760-I811 HydrophobicContact CG1-CG2 4.35Å; I760-F812 HydrophobicContact CD1-CE1 4.19Å; I760-F812 HydrophobicContact CD1-CZ 4.4Å; I760-F812 HydrophobicContact CG2-CE2 4.44Å; I760-F812 HydrophobicContact CG2-CZ 4.15Å; I760-I815 HydrophobicContact CD1-CD1 3.45Å; I760-I815 VanDerWaalsContact CD1-CD1 3.45Å; I760-I815 HydrophobicContact CG1-CD1 3.52Å; I760-L827 HydrophobicContact CB-CD2 4.43Å; I760-L827 HydrophobicContact CG2-CD1 4.11Å; I760-L827 HydrophobicContact CG2-CD2 4.26Å
761	M	90.5	Very high	86.7	Confident	41 Å²	41	49 Å²	49	20%	0.202	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-48.5	179.7	-70.7	-174.8	-68.6	0	0	111.4	A757 E758 A763 I764 E765 L827 P828 Y831	A757-M761 WeakPolarHBondContact O-CG 3.21Å; A757-M761 PolarHBondContact O-N 2.9Å; E758-M761 HydrophobicContact CB-CE 4.31Å; E758-M761 HydrophobicContact CG-CE 3.84Å; E758-M761 WeakPolarHBondContact O-CB 3.42Å; E758-M761 PolarHBondContact O-N 3.02Å; M761-A763 VanDerWaalsContact C-N 3.28Å; M761-A763 PolarHBondContact O-N 2.81Å; M761-I764 PolarHBondContact O-N 2.88Å; M761-I764 VanDerWaalsContact O-N 3.1Å; M761-E765 WeakPolarHBondContact O-CG 3.39Å; M761-E765 PolarHBondContact O-N 3.46Å; M761-L827 HydrophobicContact CG-CD2 3.6Å; M761-L827 HydrophobicContact SD-CD2 4.27Å; M761-P828 HydrophobicContact SD-CG 4.33Å; M761-Y831 HydrophobicContact CG-CD2 4.16Å; M761-Y831 HydrophobicContact CG-CE2 3.96Å; M761-Y831 HydrophobicContact SD-CD2 4.29Å; M761-Y831 HydrophobicContact SD-CE2 3.81Å
762	E	90.8	Very high	87.3	Confident	128 Å²	128	49.3 Å²	49.3	60%	0.598	23%	0.234	S	C	*	.	H	α-helix	trans	-57.2	-42	176	-70.9	177.6	178.3	0	0	111.7	E758 I764 E765 L766	E758-E762 WeakPolarHBondContact O-CG 3.4Å; E758-E762 PolarHBondContact O-N 3.15Å; E762-I764 VanDerWaalsContact C-N 3.34Å; E762-I764 PolarHBondContact O-N 3.16Å; E762-E765 PolarHBondContact O-N 3.32Å; E762-L766 WeakPolarHBondContact O-CB 3.22Å; E762-L766 PolarHBondContact O-N 2.76Å
763	A	90.6	Very high	87.6	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-40.7	176.7	0	0	0	0	0	112.8	R759 I760 M761 Y767 Y807 V808 I811	R759-A763 WeakPolarHBondContact O-CB 3.45Å; R759-A763 PolarHBondContact O-N 3Å; R759-A763 VanDerWaalsContact O-N 3.11Å; I760-A763 WeakPolarHBondContact O-CB 3.45Å; I760-A763 PolarHBondContact O-N 2.96Å; M761-A763 VanDerWaalsContact C-N 3.28Å; M761-A763 PolarHBondContact O-N 2.81Å; A763-Y767 WeakPolarHBondContact O-CB 2.81Å; A763-Y767 PolarHBondContact O-N 3.21Å; A763-Y807 HydrophobicContact CB-CE1 4.26Å; A763-V808 HydrophobicContact CB-CG2 4.11Å; A763-I811 HydrophobicContact CB-CD1 3.39Å
764	I	90.6	Very high	87.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-73.7	-36.8	-179.2	-65.5	163.3	0	0	0	110.8	I760 M761 E762 Y767 R768 Y831 D834 I835	I760-I764 HydrophobicContact CG2-CD1 3.62Å; I760-I764 HydrophobicContact CG2-CG1 4.38Å; I760-I764 WeakPolarHBondContact O-CD1 3.39Å; I760-I764 VanDerWaalsContact O-CG1 3.27Å; I760-I764 WeakPolarHBondContact O-CG1 3.5Å; I760-I764 PolarHBondContact O-N 3.08Å; M761-I764 PolarHBondContact O-N 2.88Å; M761-I764 VanDerWaalsContact O-N 3.1Å; E762-I764 VanDerWaalsContact C-N 3.34Å; E762-I764 PolarHBondContact O-N 3.16Å; I764-Y767 WeakPolarHBondContact O-CB 3.37Å; I764-Y767 PolarHBondContact O-N 3.48Å; I764-R768 WeakPolarHBondContact O-CG 3.31Å; I764-R768 PolarHBondContact O-N 3.43Å; I764-Y831 HydrophobicContact CB-CD1 4.2Å; I764-Y831 HydrophobicContact CD1-CD1 4.43Å; I764-Y831 HydrophobicContact CG2-CD1 3.83Å; I764-D834 HydrophobicContact CG2-CB 4.29Å; I764-I835 HydrophobicContact CD1-CD1 3.67Å; I764-I835 HydrophobicContact CD1-CG1 3.47Å; I764-I835 VanDerWaalsContact CD1-CG1 3.47Å; I764-I835 HydrophobicContact CG1-CG1 4.44Å
765	E	90.6	Very high	87.6	Confident	92 Å²	92	57.2 Å²	57.2	43%	0.43	27%	0.265	S	S	.	.	H	α-helix	trans	-62.5	-46.2	172.9	-72.1	-172.6	164.2	0	0	110.9	M761 E762 Y767 R768 E769 Y831	M761-E765 WeakPolarHBondContact O-CG 3.39Å; M761-E765 PolarHBondContact O-N 3.46Å; E762-E765 PolarHBondContact O-N 3.32Å; E765-Y767 VanDerWaalsContact C-N 3.25Å; E765-Y767 PolarHBondContact O-N 3.09Å; E765-R768 WeakPolarHBondContact O-CB 3.43Å; E765-R768 PolarHBondContact O-N 3.2Å; E765-E769 WeakPolarHBondContact O-CG 3.49Å; E765-E769 PolarHBondContact O-N 2.99Å; E765-Y831 HydrophobicContact CG-CE1 4.08Å; E765-Y831 PolarHBondContact OE1-OH 3.2Å
766	L	88.5	Confident	87.5	Confident	19 Å²	19	58.3 Å²	58.3	10%	0.099	27%	0.272	C	S	.	.	H	α-helix	trans	-56.4	-42.1	173	-169	75.4	0	0	0	111.5	E762 E769 E770 N793 I795 L796 Y807	E762-L766 WeakPolarHBondContact O-CB 3.22Å; E762-L766 PolarHBondContact O-N 2.76Å; L766-E769 PolarHBondContact O-N 3.39Å; L766-E770 WeakPolarHBondContact O-CB 3.38Å; L766-E770 WeakPolarHBondContact O-CG 3.4Å; L766-E770 PolarHBondContact O-N 3.49Å; L766-N793 HydrophobicContact CD1-CB 4.35Å; L766-N793 WeakPolarHBondContact CD1-ND2 3.21Å; L766-I795 HydrophobicContact CD1-CD1 4.47Å; L766-I795 HydrophobicContact CD2-CG2 4.27Å; L766-L796 HydrophobicContact CD2-CD2 4.16Å; L766-L796 HydrophobicContact CD2-CG 4.29Å; L766-Y807 HydrophobicContact CD2-CD1 3.76Å; L766-Y807 HydrophobicContact CD2-CE1 3.54Å
767	Y	88.8	Confident	87.1	Confident	30 Å²	30	60.2 Å²	60.2	12%	0.118	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-42.8	175.3	172.6	-101.2	0	0	0	112.6	A763 I764 E765 T771 P804 L838	A763-Y767 WeakPolarHBondContact O-CB 2.81Å; A763-Y767 PolarHBondContact O-N 3.21Å; I764-Y767 WeakPolarHBondContact O-CB 3.37Å; I764-Y767 PolarHBondContact O-N 3.48Å; E765-Y767 VanDerWaalsContact C-N 3.25Å; E765-Y767 PolarHBondContact O-N 3.09Å; Y767-T771 HydrophobicContact CD1-CG2 4.43Å; Y767-T771 HydrophobicContact CD2-CG2 3.86Å; Y767-T771 HydrophobicContact CE1-CG2 4.02Å; Y767-T771 HydrophobicContact CE2-CG2 3.35Å; Y767-T771 HydrophobicContact CG-CG2 4.36Å; Y767-T771 VanDerWaalsContact CZ-CG2 3.44Å; Y767-T771 WeakPolarHBondContact O-CB 3.29Å; Y767-T771 VanDerWaalsContact O-CG2 3.3Å; Y767-T771 WeakPolarHBondContact O-CG2 3.3Å; Y767-T771 PolarHBondContact O-N 2.92Å; Y767-T771 PolarHBondContact O-OG1 3.31Å; Y767-P804 HydrophobicContact CD2-CB 3.86Å; Y767-L838 HydrophobicContact CD1-CD1 4.02Å; Y767-L838 HydrophobicContact CD1-CD2 4.3Å; Y767-L838 HydrophobicContact CD1-CG 4.38Å; Y767-L838 HydrophobicContact CD2-CD2 3.97Å; Y767-L838 HydrophobicContact CE1-CD1 4.13Å; Y767-L838 HydrophobicContact CE1-CD2 3.84Å; Y767-L838 HydrophobicContact CE1-CG 3.99Å; Y767-L838 HydrophobicContact CE2-CD2 3.5Å; Y767-L838 HydrophobicContact CG-CD1 4.3Å; Y767-L838 HydrophobicContact CG-CD2 4.35Å; Y767-L838 VanDerWaalsContact CZ-CD2 3.42Å
768	R	88.9	Confident	86.7	Confident	85 Å²	85	66.1 Å²	66.1	32%	0.321	31%	0.307	S	S	.	.	H	α-helix	trans	-61	-46.9	176.7	-76.8	176.1	175.4	166.7	2.1	111.4	I764 E765 T771 A772 S830 D834	I764-R768 WeakPolarHBondContact O-CG 3.31Å; I764-R768 PolarHBondContact O-N 3.43Å; E765-R768 WeakPolarHBondContact O-CB 3.43Å; E765-R768 PolarHBondContact O-N 3.2Å; R768-T771 PolarHBondContact O-OG1 3.48Å; R768-T771 VanDerWaalsContact O-OG1 3.07Å; R768-A772 WeakPolarHBondContact O-CB 3.22Å; R768-A772 PolarHBondContact O-N 3.07Å; R768-S830 PolarHBondContact NH2-O 3.29Å; R768-D834 IonicContact CZ-OD2 3.16Å; R768-D834 IonicContact NE-OD2 3.32Å; R768-D834 PolarHBondContact NE-OD2 2.88Å; R768-D834 IonicContact NH2-OD2 3.61Å; R768-D834 PolarHBondContact NH2-OD2 3.22Å
769	E	87.5	Confident	86.3	Confident	108 Å²	108	64.4 Å²	64.4	51%	0.505	31%	0.308	S	S	.	.	H	α-helix	trans	-61.7	-49.1	179.3	-70.5	-174.9	175.3	0	0	111.7	E765 L766 A772 K773	E765-E769 WeakPolarHBondContact O-CG 3.49Å; E765-E769 PolarHBondContact O-N 2.99Å; L766-E769 PolarHBondContact O-N 3.39Å; E769-A772 PolarHBondContact O-N 3.02Å; E769-K773 WeakPolarHBondContact O-CG 3.22Å; E769-K773 PolarHBondContact O-N 3.16Å
770	E	83.7	Confident	85.8	Confident	7 Å²	7	63.8 Å²	63.8	3%	0.033	31%	0.312	C	S	.	.	H	α-helix	trans	-69.6	-36.1	-177.8	-71.1	-65.6	113.9	0	0	112.2	L766 A772 K773 M774 N793 L796 P804	L766-E770 WeakPolarHBondContact O-CB 3.38Å; L766-E770 WeakPolarHBondContact O-CG 3.4Å; L766-E770 PolarHBondContact O-N 3.49Å; E770-A772 VanDerWaalsContact C-N 3.33Å; E770-A772 PolarHBondContact O-N 2.77Å; E770-K773 PolarHBondContact O-N 3.26Å; E770-K773 WeakPolarHBondContact OE1-CD 3.43Å; E770-K773 IonicContact OE1-NZ 3.9Å; E770-K773 PolarHBondContact OE1-NZ 3.37Å; E770-M774 VanDerWaalsContact O-CB 3.26Å; E770-M774 WeakPolarHBondContact O-CB 3.35Å; E770-M774 WeakPolarHBondContact O-CG 3.43Å; E770-M774 PolarHBondContact O-N 3.26Å; E770-N793 WeakPolarHBondContact CG-ND2 3.39Å; E770-N793 PolarHBondContact OE1-ND2 3.28Å; E770-N793 PolarHBondContact OE1-OD1 2.93Å; E770-L796 HydrophobicContact CG-CD1 3.88Å; E770-P804 HydrophobicContact CB-CB 4.19Å; E770-P804 HydrophobicContact CB-CG 3.75Å; E770-P804 HydrophobicContact CG-CG 4.39Å
771	T	84.3	Confident	85	Confident	37 Å²	37	64.8 Å²	64.8	23%	0.227	32%	0.319	C	S	.	.	H	α-helix	trans	-68.4	-32.8	173.8	55.3	0	0	0	0	112.8	Y767 R768 K775	Y767-T771 HydrophobicContact CD1-CG2 4.43Å; Y767-T771 HydrophobicContact CD2-CG2 3.86Å; Y767-T771 HydrophobicContact CE1-CG2 4.02Å; Y767-T771 HydrophobicContact CE2-CG2 3.35Å; Y767-T771 HydrophobicContact CG-CG2 4.36Å; Y767-T771 VanDerWaalsContact CZ-CG2 3.44Å; Y767-T771 WeakPolarHBondContact O-CB 3.29Å; Y767-T771 VanDerWaalsContact O-CG2 3.3Å; Y767-T771 WeakPolarHBondContact O-CG2 3.3Å; Y767-T771 PolarHBondContact O-N 2.92Å; Y767-T771 PolarHBondContact O-OG1 3.31Å; R768-T771 PolarHBondContact O-OG1 3.48Å; R768-T771 VanDerWaalsContact O-OG1 3.07Å; T771-K775 VanDerWaalsContact O-CG 3.27Å; T771-K775 WeakPolarHBondContact O-CG 3.19Å; T771-K775 PolarHBondContact O-N 3.25Å
772	A	86.3	Confident	84.4	Confident	44 Å²	44	71.7 Å²	71.7	36%	0.364	35%	0.348	S	S	.	.	H	α-helix	trans	-66.2	-51.2	172.2	0	0	0	0	0	110.8	R768 E769 E770 M774 K775 E776	R768-A772 WeakPolarHBondContact O-CB 3.22Å; R768-A772 PolarHBondContact O-N 3.07Å; E769-A772 PolarHBondContact O-N 3.02Å; E770-A772 VanDerWaalsContact C-N 3.33Å; E770-A772 PolarHBondContact O-N 2.77Å; A772-M774 VanDerWaalsContact C-N 3.29Å; A772-M774 PolarHBondContact O-N 3.05Å; A772-K775 WeakPolarHBondContact O-CB 3.27Å; A772-K775 PolarHBondContact O-N 3.06Å; A772-E776 WeakPolarHBondContact O-CG 3.48Å; A772-E776 PolarHBondContact O-N 3.25Å
773	K	84.1	Confident	83.9	Confident	67 Å²	67	70 Å²	70	29%	0.291	36%	0.356	S	S	.	.	H	α-helix	trans	-57.1	-41.8	175.5	-69.7	178.5	-162.6	162.4	0	112	E769 E770 K775 E776 H777 L790 N793	E769-K773 WeakPolarHBondContact O-CG 3.22Å; E769-K773 PolarHBondContact O-N 3.16Å; E770-K773 PolarHBondContact O-N 3.26Å; E770-K773 WeakPolarHBondContact OE1-CD 3.43Å; E770-K773 IonicContact OE1-NZ 3.9Å; E770-K773 PolarHBondContact OE1-NZ 3.37Å; K773-K775 VanDerWaalsContact C-N 3.34Å; K773-K775 PolarHBondContact O-N 3.37Å; K773-E776 PolarHBondContact O-N 3.3Å; K773-H777 WeakPolarHBondContact O-CB 3.32Å; K773-H777 PolarHBondContact O-N 2.85Å; K773-L790 HydrophobicContact CB-CD2 4.42Å; K773-N793 PolarHBondContact NZ-OD1 2.9Å
774	M	80.5	Confident	83	Confident	81 Å²	81	72.9 Å²	72.9	40%	0.399	38%	0.38	S	S	.	.	H	α-helix	trans	-65.2	-34	176.3	-78.5	-71.4	-80.7	0	0	112.8	E770 A772 K778 L790	E770-M774 VanDerWaalsContact O-CB 3.26Å; E770-M774 WeakPolarHBondContact O-CB 3.35Å; E770-M774 WeakPolarHBondContact O-CG 3.43Å; E770-M774 PolarHBondContact O-N 3.26Å; A772-M774 VanDerWaalsContact C-N 3.29Å; A772-M774 PolarHBondContact O-N 3.05Å; M774-K778 WeakPolarHBondContact O-CB 3.27Å; M774-K778 WeakPolarHBondContact O-CG 3.39Å; M774-K778 PolarHBondContact O-N 3.14Å; M774-L790 HydrophobicContact CG-CD1 4.41Å; M774-L790 HydrophobicContact SD-CD1 3.57Å; M774-L790 VanDerWaalsContact SD-CD1 3.57Å
775	K	83.2	Confident	82.1	Confident	151 Å²	151	76.2 Å²	76.2	66%	0.657	42%	0.415	S	S	*	.	H	α-helix	trans	-71.8	-44.7	175.2	-76.9	170.1	-176	170.5	0	111.6	T771 A772 K773 H777 K778 A779	T771-K775 VanDerWaalsContact O-CG 3.27Å; T771-K775 WeakPolarHBondContact O-CG 3.19Å; T771-K775 PolarHBondContact O-N 3.25Å; A772-K775 WeakPolarHBondContact O-CB 3.27Å; A772-K775 PolarHBondContact O-N 3.06Å; K773-K775 VanDerWaalsContact C-N 3.34Å; K773-K775 PolarHBondContact O-N 3.37Å; K775-H777 VanDerWaalsContact C-N 3.33Å; K775-K778 PolarHBondContact O-N 2.93Å; K775-A779 WeakPolarHBondContact O-CB 3.27Å; K775-A779 PolarHBondContact O-N 2.79Å
776	E	83.7	Confident	81.3	Confident	127 Å²	127	79.6 Å²	79.6	59%	0.593	43%	0.428	S	S	*	.	H	α-helix	trans	-60.4	-46.3	175.3	-71	178.3	179	0	0	110.7	A772 K773 K778 A779 I780	A772-E776 WeakPolarHBondContact O-CG 3.48Å; A772-E776 PolarHBondContact O-N 3.25Å; K773-E776 PolarHBondContact O-N 3.3Å; E776-K778 PolarHBondContact O-N 3.33Å; E776-A779 WeakPolarHBondContact O-CB 3.38Å; E776-A779 PolarHBondContact O-N 3.03Å; E776-A779 VanDerWaalsContact O-N 3.11Å; E776-I780 VanDerWaalsContact O-CG1 3.25Å; E776-I780 WeakPolarHBondContact O-CG1 3.48Å; E776-I780 PolarHBondContact O-N 2.91Å
777	H	77.8	Confident	80.1	Confident	40 Å²	40	87.6 Å²	87.6	19%	0.185	47%	0.465	C	S	.	.	H	α-helix	trans	-60.9	-44.3	176	-179.8	-90.8	0	0	0	112.7	K773 K775 A779 I780 C781 V788 L790	K773-H777 WeakPolarHBondContact O-CB 3.32Å; K773-H777 PolarHBondContact O-N 2.85Å; K775-H777 VanDerWaalsContact C-N 3.33Å; H777-A779 VanDerWaalsContact C-N 3.29Å; H777-A779 PolarHBondContact O-N 3.26Å; H777-I780 PolarHBondContact O-N 3.26Å; H777-C781 PolarHBondContact CE1-SG 3.29Å; H777-C781 WeakPolarHBondContact O-CB 3.38Å; H777-C781 PolarHBondContact O-N 2.82Å; H777-C781 PolarHBondContact O-SG 3.34Å; H777-V788 PolarHBondContact CE1-O 3.5Å; H777-V788 PolarHBondContact NE2-O 2.75Å; H777-L790 HydrophobicContact CB-CD1 3.38Å; H777-L790 HydrophobicContact CB-CG 4.14Å
778	K	80	Confident	79	Confident	125 Å²	125	89.6 Å²	89.6	54%	0.543	48%	0.48	S	S	.	.	H	α-helix	trans	-61.2	-37.2	173.7	-79	172.8	-177.6	178.1	0	112.1	M774 K775 E776 K782	M774-K778 WeakPolarHBondContact O-CB 3.27Å; M774-K778 WeakPolarHBondContact O-CG 3.39Å; M774-K778 PolarHBondContact O-N 3.14Å; K775-K778 PolarHBondContact O-N 2.93Å; E776-K778 PolarHBondContact O-N 3.33Å; K778-K782 WeakPolarHBondContact O-CB 3.29Å; K778-K782 VanDerWaalsContact O-CG 3.26Å; K778-K782 WeakPolarHBondContact O-CG 2.84Å; K778-K782 PolarHBondContact O-N 3.2Å
779	A	82.3	Confident	77.7	Confident	59 Å²	59	91.2 Å²	91.2	49%	0.488	50%	0.501	S	S	.	.	H	α-helix	trans	-68	-42.6	176	0	0	0	0	0	111.5	K775 E776 H777 K782 A783	K775-A779 WeakPolarHBondContact O-CB 3.27Å; K775-A779 PolarHBondContact O-N 2.79Å; E776-A779 WeakPolarHBondContact O-CB 3.38Å; E776-A779 PolarHBondContact O-N 3.03Å; E776-A779 VanDerWaalsContact O-N 3.11Å; H777-A779 VanDerWaalsContact C-N 3.29Å; H777-A779 PolarHBondContact O-N 3.26Å; A779-K782 PolarHBondContact O-N 2.58Å; A779-A783 WeakPolarHBondContact O-CB 3.17Å; A779-A783 PolarHBondContact O-N 2.89Å
780	I	79.8	Confident	76.6	Confident	96 Å²	96	88.2 Å²	88.2	49%	0.492	49%	0.488	S	S	.	.	H	α-helix	trans	-65.4	-44.7	177	-67	162.9	0	0	0	110.8	E776 H777 K782 A783 A784	E776-I780 VanDerWaalsContact O-CG1 3.25Å; E776-I780 WeakPolarHBondContact O-CG1 3.48Å; E776-I780 PolarHBondContact O-N 2.91Å; H777-I780 PolarHBondContact O-N 3.26Å; I780-K782 VanDerWaalsContact C-N 3.33Å; I780-K782 PolarHBondContact O-N 3.03Å; I780-A783 PolarHBondContact O-N 3.04Å; I780-A784 VanDerWaalsContact O-CB 3.23Å; I780-A784 WeakPolarHBondContact O-CB 3.45Å; I780-A784 PolarHBondContact O-N 3.48Å
781	C	72.8	Confident	75.7	Confident	23 Å²	23	92.9 Å²	92.9	16%	0.155	52%	0.52	C	S	.	.	H	α-helix	trans	-64.5	-38.3	177.3	-69	0	0	0	0	111.9	H777 A784 G785	H777-C781 PolarHBondContact CE1-SG 3.29Å; H777-C781 WeakPolarHBondContact O-CB 3.38Å; H777-C781 PolarHBondContact O-N 2.82Å; H777-C781 PolarHBondContact O-SG 3.34Å; C781-A784 PolarHBondContact O-N 2.6Å; C781-G785 PolarHBondContact O-N 2.79Å
782	K	78.4	Confident	75	Confident	185 Å²	185	94.6 Å²	94.6	80%	0.804	53%	0.53	S	S	*	.	H	α-helix	trans	-65.9	-37	172.9	-78.6	-179.9	178.8	-174.3	0	112.6	K778 A779 I780	K778-K782 WeakPolarHBondContact O-CB 3.29Å; K778-K782 VanDerWaalsContact O-CG 3.26Å; K778-K782 WeakPolarHBondContact O-CG 2.84Å; K778-K782 PolarHBondContact O-N 3.2Å; A779-K782 PolarHBondContact O-N 2.58Å; I780-K782 VanDerWaalsContact C-N 3.33Å; I780-K782 PolarHBondContact O-N 3.03Å
783	A	78.9	Confident	74.6	Confident	92 Å²	92	93.6 Å²	93.6	76%	0.76	52%	0.519	S	S	*	.	H	α-helix	trans	-74	-33.9	177.4	0	0	0	0	0	112.8	A779 I780	A779-A783 WeakPolarHBondContact O-CB 3.17Å; A779-A783 PolarHBondContact O-N 2.89Å; I780-A783 PolarHBondContact O-N 3.04Å
784	A	72.4	Confident	74.4	Confident	63 Å²	63	95.2 Å²	95.2	52%	0.521	54%	0.536	S	S	.	.	H	α-helix	trans	-95.7	-13.9	-174.7	0	0	0	0	0	114.4	I780 C781 K786	I780-A784 VanDerWaalsContact O-CB 3.23Å; I780-A784 WeakPolarHBondContact O-CB 3.45Å; I780-A784 PolarHBondContact O-N 3.48Å; C781-A784 PolarHBondContact O-N 2.6Å; A784-K786 PolarHBondContact O-N 2.85Å; A784-K786 VanDerWaalsContact O-N 3.14Å
785	G	71.6	Confident	74.4	Confident	70 Å²	70	95.2 Å²	95.2	72%	0.722	54%	0.537	S	S	*	.	S	Bend	trans	63.3	14.7	-178.8	0	0	0	0	0	114.9	C781	C781-G785 PolarHBondContact O-N 2.79Å
786	K	74	Confident	74.2	Confident	163 Å²	163	88.3 Å²	88.3	71%	0.709	51%	0.507	S	S	*	.	S	Bend	trans	-138.4	144.9	178.7	-72.9	-177.3	179.1	178.5	0	110	A784	A784-K786 PolarHBondContact O-N 2.85Å; A784-K786 VanDerWaalsContact O-N 3.14Å
787	E	63.2	Low	74	Confident	186 Å²	186	87.6 Å²	87.6	87%	0.869	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-76.8	121	172.9	-68.9	-175.2	165.5	0	0	110.1
788	V	65	Low	74	Confident	73 Å²	73	89.8 Å²	89.8	44%	0.442	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-95.6	142.8	173	-175.6	0	0	0	0	108	H777	H777-V788 PolarHBondContact CE1-O 3.5Å; H777-V788 PolarHBondContact NE2-O 2.75Å
789	P	62.1	Low	73.8	Confident	118 Å²	118	89.8 Å²	89.8	77%	0.766	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-70.4	134.2	174.1	14.8	-13.5	0	0	0	111.3
790	L	65.5	Low	73.5	Confident	45 Å²	45	89.5 Å²	89.5	24%	0.236	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-97.2	125.8	-179.3	-145.6	163.9	0	0	0	109	K773 M774 H777 T792	K773-L790 HydrophobicContact CB-CD2 4.42Å; M774-L790 HydrophobicContact CG-CD1 4.41Å; M774-L790 HydrophobicContact SD-CD1 3.57Å; M774-L790 VanDerWaalsContact SD-CD1 3.57Å; H777-L790 HydrophobicContact CB-CD1 3.38Å; H777-L790 HydrophobicContact CB-CG 4.14Å; L790-T792 PolarHBondContact O-N 3.08Å; L790-T792 VanDerWaalsContact O-N 3.16Å
791	P	65	Low	72.7	Confident	106 Å²	106	89.7 Å²	89.7	69%	0.688	54%	0.54	S	S	*	.			trans	-68.8	111.8	172.3	26.5	-31.2	0	0	0	109.1
792	T	67.8	Low	72.9	Confident	72 Å²	72	90.6 Å²	90.6	44%	0.442	54%	0.543	S	S	.	.			trans	-77	145.1	176.5	48.1	0	0	0	0	110.7	L790	L790-T792 PolarHBondContact O-N 3.08Å; L790-T792 VanDerWaalsContact O-N 3.16Å
793	N	78	Confident	73	Confident	24 Å²	24	84.5 Å²	84.5	13%	0.128	52%	0.523	C	S	.	.			trans	-58.6	137.4	175.8	-86.3	-14.2	0	0	0	111.2	L766 E770 K773 I795 L796 M797	L766-N793 HydrophobicContact CD1-CB 4.35Å; L766-N793 WeakPolarHBondContact CD1-ND2 3.21Å; E770-N793 WeakPolarHBondContact CG-ND2 3.39Å; E770-N793 PolarHBondContact OE1-ND2 3.28Å; E770-N793 PolarHBondContact OE1-OD1 2.93Å; K773-N793 PolarHBondContact NZ-OD1 2.9Å; N793-I795 PolarHBondContact O-N 2.83Å; N793-L796 HydrophobicContact CB-CD1 4.44Å; N793-L796 HydrophobicContact CB-CG 4.49Å; N793-L796 PolarHBondContact O-N 2.64Å; N793-L796 VanDerWaalsContact O-N 3.13Å; N793-M797 PolarHBondContact O-N 3.37Å; N793-M797 VanDerWaalsContact O-N 3.16Å
794	P	80.1	Confident	73.2	Confident	100 Å²	100	81.6 Å²	81.6	65%	0.649	50%	0.497	S	S	*	.	H	α-helix	trans	-56.7	-33.2	-179	-27.3	34.6	0	0	0	114.3	M797 A798	P794-M797 WeakPolarHBondContact O-CB 3.27Å; P794-M797 PolarHBondContact O-N 3.38Å; P794-A798 PolarHBondContact O-N 3.46Å
795	I	80.3	Confident	73.8	Confident	82 Å²	82	79.4 Å²	79.4	42%	0.421	48%	0.478	S	S	.	.	H	α-helix	trans	-62.1	-50.3	177.3	-62.6	171.3	0	0	0	110.2	L766 N793 M797 A798 Y799 Y807	L766-I795 HydrophobicContact CD1-CD1 4.47Å; L766-I795 HydrophobicContact CD2-CG2 4.27Å; N793-I795 PolarHBondContact O-N 2.83Å; I795-M797 PolarHBondContact O-N 3.36Å; I795-A798 WeakPolarHBondContact O-CB 3.36Å; I795-A798 PolarHBondContact O-N 2.75Å; I795-A798 VanDerWaalsContact O-N 3.16Å; I795-Y799 HydrophobicContact CG2-CD2 4.39Å; I795-Y799 HydrophobicContact CG2-CE2 4.43Å; I795-Y799 WeakPolarHBondContact O-CD2 3.25Å; I795-Y799 PolarHBondContact O-N 2.87Å; I795-Y807 HydrophobicContact CG2-CE2 4.11Å
796	L	80.3	Confident	74.4	Confident	6 Å²	6	77.6 Å²	77.6	3%	0.031	46%	0.456	C	S	.	.	H	α-helix	trans	-64.1	-31.8	178.7	-64.5	177	0	0	0	112.2	L766 E770 N793 S801 P804 Y807	L766-L796 HydrophobicContact CD2-CD2 4.16Å; L766-L796 HydrophobicContact CD2-CG 4.29Å; E770-L796 HydrophobicContact CG-CD1 3.88Å; N793-L796 HydrophobicContact CB-CD1 4.44Å; N793-L796 HydrophobicContact CB-CG 4.49Å; N793-L796 PolarHBondContact O-N 2.64Å; N793-L796 VanDerWaalsContact O-N 3.13Å; L796-S801 WeakPolarHBondContact O-CA 3.31Å; L796-S801 PolarHBondContact O-N 2.88Å; L796-P804 HydrophobicContact CD1-CG 3.97Å; L796-Y807 HydrophobicContact CD2-CD1 4.32Å; L796-Y807 HydrophobicContact CD2-CD2 4.38Å; L796-Y807 HydrophobicContact CD2-CG 3.91Å
797	M	78	Confident	75	Confident	111 Å²	111	71.3 Å²	71.3	55%	0.547	43%	0.428	S	S	.	.	H	α-helix	trans	-68.8	-40.3	175.7	-161.1	-175.2	-45	0	0	112	N793 P794 I795 Y799 G800	N793-M797 PolarHBondContact O-N 3.37Å; N793-M797 VanDerWaalsContact O-N 3.16Å; P794-M797 WeakPolarHBondContact O-CB 3.27Å; P794-M797 PolarHBondContact O-N 3.38Å; I795-M797 PolarHBondContact O-N 3.36Å; M797-Y799 VanDerWaalsContact C-N 3.28Å; M797-Y799 PolarHBondContact O-N 2.72Å; M797-G800 PolarHBondContact O-N 3.32Å
798	A	78.9	Confident	76.1	Confident	86 Å²	86	62.5 Å²	62.5	71%	0.711	39%	0.387	S	S	*	.	H	α-helix	trans	-62.7	-34.7	177.4	0	0	0	0	0	112.5	P794 I795 G800	P794-A798 PolarHBondContact O-N 3.46Å; I795-A798 WeakPolarHBondContact O-CB 3.36Å; I795-A798 PolarHBondContact O-N 2.75Å; I795-A798 VanDerWaalsContact O-N 3.16Å; A798-G800 PolarHBondContact O-N 2.84Å
799	Y	75.1	Confident	77.2	Confident	125 Å²	125	60 Å²	60	49%	0.49	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	2.5	173.7	-80.5	-91.7	0	0	0	113.8	I795 M797 I802 Y807 E810	I795-Y799 HydrophobicContact CG2-CD2 4.39Å; I795-Y799 HydrophobicContact CG2-CE2 4.43Å; I795-Y799 WeakPolarHBondContact O-CD2 3.25Å; I795-Y799 PolarHBondContact O-N 2.87Å; M797-Y799 VanDerWaalsContact C-N 3.28Å; M797-Y799 PolarHBondContact O-N 2.72Å; Y799-I802 VanDerWaalsContact O-CD1 3.28Å; Y799-I802 WeakPolarHBondContact O-CD1 3.35Å; Y799-I802 VanDerWaalsContact O-CG1 3.3Å; Y799-I802 WeakPolarHBondContact O-CG1 3.27Å; Y799-Y807 HydrophobicContact CD2-CD2 4.28Å; Y799-Y807 AromaticContact CD2-CE2 3.83Å; Y799-Y807 HydrophobicContact CD2-CE2 3.83Å; Y799-Y807 AromaticContact CE2-CE2 3.68Å; Y799-Y807 HydrophobicContact CE2-CE2 3.68Å; Y799-Y807 HydrophobicContact CG-CD2 4.4Å; Y799-Y807 HydrophobicContact CG-CE2 4.34Å; Y799-E810 WeakPolarHBondContact CD1-OE2 3.34Å
800	G	75.6	Confident	78.4	Confident	53 Å²	53	58.2 Å²	58.2	55%	0.546	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.3	34	177.1	0	0	0	0	0	114.6	M797 A798	M797-G800 PolarHBondContact O-N 3.32Å; A798-G800 PolarHBondContact O-N 2.84Å
801	S	64.6	Low	79.4	Confident	100 Å²	100	57.3 Å²	57.3	70%	0.699	35%	0.348	S	S	*	.	S	Bend	trans	62.2	38.5	178.6	63.2	0	0	0	0	114.5	L796	L796-S801 WeakPolarHBondContact O-CA 3.31Å; L796-S801 PolarHBondContact O-N 2.88Å
802	I	76.7	Confident	80.5	Confident	42 Å²	42	52.8 Å²	52.8	22%	0.215	32%	0.317	C	S	.	.			trans	-65	148.4	175.7	-56.8	-177	0	0	0	110	Y799 A806 E810	Y799-I802 VanDerWaalsContact O-CD1 3.28Å; Y799-I802 WeakPolarHBondContact O-CD1 3.35Å; Y799-I802 VanDerWaalsContact O-CG1 3.3Å; Y799-I802 WeakPolarHBondContact O-CG1 3.27Å; I802-A806 HydrophobicContact CG2-CB 3.38Å; I802-E810 WeakPolarHBondContact CD1-OE1 2.91Å
803	S	80.1	Confident	81.5	Confident	57 Å²	57	54.5 Å²	54.5	40%	0.399	32%	0.318	S	S	.	.			trans	-63.1	146.5	173.4	67.6	0	0	0	0	110.8	S805 A806 Y807	S803-S805 PolarHBondContact O-N 2.98Å; S803-S805 VanDerWaalsContact O-N 3.11Å; S803-S805 PolarHBondContact OG-OG 3.28Å; S803-A806 PolarHBondContact O-N 2.91Å; S803-A806 VanDerWaalsContact OG-CB 3.27Å; S803-A806 WeakPolarHBondContact OG-CB 3.49Å; S803-A806 PolarHBondContact OG-N 3.33Å; S803-Y807 PolarHBondContact O-N 3.03Å
804	P	83.6	Confident	81.8	Confident	31 Å²	31	56 Å²	56	20%	0.201	34%	0.339	C	S	.	.	H	α-helix	trans	-55.2	-33.6	179.4	-27.6	34.6	0	0	0	113.5	Y767 E770 L796 V808	Y767-P804 HydrophobicContact CD2-CB 3.86Å; E770-P804 HydrophobicContact CB-CB 4.19Å; E770-P804 HydrophobicContact CB-CG 3.75Å; E770-P804 HydrophobicContact CG-CG 4.39Å; L796-P804 HydrophobicContact CD1-CG 3.97Å; P804-V808 PolarHBondContact O-N 2.99Å
805	S	83.8	Confident	82.1	Confident	18 Å²	18	51.8 Å²	51.8	13%	0.126	31%	0.311	C	S	.	.	H	α-helix	trans	-70.2	-43.3	175.9	56.8	0	0	0	0	112	S803 Y807 V808 L809 F842	S803-S805 PolarHBondContact O-N 2.98Å; S803-S805 VanDerWaalsContact O-N 3.11Å; S803-S805 PolarHBondContact OG-OG 3.28Å; S805-Y807 VanDerWaalsContact C-N 3.3Å; S805-Y807 PolarHBondContact O-N 3.34Å; S805-V808 PolarHBondContact O-N 3.46Å; S805-L809 PolarHBondContact O-N 2.62Å; S805-F842 WeakPolarHBondContact O-CE1 3.31Å; S805-F842 WeakPolarHBondContact O-CZ 3.25Å
806	A	84.1	Confident	82.2	Confident	32 Å²	32	52.4 Å²	52.4	26%	0.264	31%	0.308	S	S	.	.	H	α-helix	trans	-67	-30.3	177.8	0	0	0	0	0	112.7	I802 S803 L809 E810	I802-A806 HydrophobicContact CG2-CB 3.38Å; S803-A806 PolarHBondContact O-N 2.91Å; S803-A806 VanDerWaalsContact OG-CB 3.27Å; S803-A806 WeakPolarHBondContact OG-CB 3.49Å; S803-A806 PolarHBondContact OG-N 3.33Å; A806-L809 WeakPolarHBondContact O-CB 3.25Å; A806-L809 PolarHBondContact O-N 2.76Å; A806-E810 PolarHBondContact O-N 3.23Å
807	Y	87	Confident	82.2	Confident	30 Å²	30	54 Å²	54	12%	0.118	32%	0.32	C	S	.	.	H	α-helix	trans	-61.1	-44	171.8	178.6	-109.1	0	0	0	112.6	A763 L766 I795 L796 Y799 S803 S805 L809 E810 I811	A763-Y807 HydrophobicContact CB-CE1 4.26Å; L766-Y807 HydrophobicContact CD2-CD1 3.76Å; L766-Y807 HydrophobicContact CD2-CE1 3.54Å; I795-Y807 HydrophobicContact CG2-CE2 4.11Å; L796-Y807 HydrophobicContact CD2-CD1 4.32Å; L796-Y807 HydrophobicContact CD2-CD2 4.38Å; L796-Y807 HydrophobicContact CD2-CG 3.91Å; Y799-Y807 HydrophobicContact CD2-CD2 4.28Å; Y799-Y807 AromaticContact CD2-CE2 3.83Å; Y799-Y807 HydrophobicContact CD2-CE2 3.83Å; Y799-Y807 AromaticContact CE2-CE2 3.68Å; Y799-Y807 HydrophobicContact CE2-CE2 3.68Å; Y799-Y807 HydrophobicContact CG-CD2 4.4Å; Y799-Y807 HydrophobicContact CG-CE2 4.34Å; S803-Y807 PolarHBondContact O-N 3.03Å; S805-Y807 VanDerWaalsContact C-N 3.3Å; S805-Y807 PolarHBondContact O-N 3.34Å; Y807-L809 VanDerWaalsContact C-N 3.27Å; Y807-L809 PolarHBondContact O-N 2.94Å; Y807-E810 PolarHBondContact O-N 3.1Å; Y807-I811 HydrophobicContact CD1-CD1 4.07Å; Y807-I811 HydrophobicContact CE1-CD1 3.44Å; Y807-I811 VanDerWaalsContact CE1-CD1 3.44Å; Y807-I811 HydrophobicContact CE2-CD1 4.16Å; Y807-I811 PolarHBondContact O-N 3.45Å; Y807-I811 VanDerWaalsContact O-N 3.1Å
808	V	87.4	Confident	82.1	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.012	30%	0.301	C	S	.	.	H	α-helix	trans	-61.1	-40.2	174.9	177	0	0	0	0	110.6	A763 P804 S805 I811 F812 L838 F842	A763-V808 HydrophobicContact CB-CG2 4.11Å; P804-V808 PolarHBondContact O-N 2.99Å; S805-V808 PolarHBondContact O-N 3.46Å; V808-I811 PolarHBondContact O-N 3.38Å; V808-F812 HydrophobicContact CG1-CD2 3.81Å; V808-F812 HydrophobicContact CG1-CE2 3.73Å; V808-F812 VanDerWaalsContact O-CD2 3.3Å; V808-F812 WeakPolarHBondContact O-CD2 3.42Å; V808-F812 PolarHBondContact O-N 3.05Å; V808-L838 HydrophobicContact CB-CD1 4.44Å; V808-L838 HydrophobicContact CG1-CD1 4.07Å; V808-L838 HydrophobicContact CG2-CD1 4.29Å; V808-F842 HydrophobicContact CB-CZ 4.37Å
809	L	87	Confident	82.2	Confident	19 Å²	19	45.9 Å²	45.9	10%	0.099	27%	0.268	C	S	.	.	H	α-helix	trans	-64.6	-38.6	176.7	-174.6	126.8	0	0	0	112.6	S805 A806 Y807 I811 F812 K813 F842 I852	S805-L809 PolarHBondContact O-N 2.62Å; A806-L809 WeakPolarHBondContact O-CB 3.25Å; A806-L809 PolarHBondContact O-N 2.76Å; Y807-L809 VanDerWaalsContact C-N 3.27Å; Y807-L809 PolarHBondContact O-N 2.94Å; L809-I811 VanDerWaalsContact C-N 3.31Å; L809-I811 PolarHBondContact O-N 2.79Å; L809-F812 PolarHBondContact O-N 3.33Å; L809-K813 HydrophobicContact CD2-CD 4.15Å; L809-K813 VanDerWaalsContact CD2-CE 3.45Å; L809-K813 WeakPolarHBondContact O-CG 3.5Å; L809-K813 PolarHBondContact O-N 3.13Å; L809-F842 HydrophobicContact CB-CD1 4.48Å; L809-F842 HydrophobicContact CB-CE1 4.02Å; L809-F842 HydrophobicContact CB-CE2 4.26Å; L809-F842 HydrophobicContact CB-CZ 3.92Å; L809-F842 HydrophobicContact CD1-CB 4.08Å; L809-F842 HydrophobicContact CD1-CD1 3.82Å; L809-F842 HydrophobicContact CD1-CD2 3.92Å; L809-F842 HydrophobicContact CD1-CE1 4.21Å; L809-F842 HydrophobicContact CD1-CE2 4.32Å; L809-F842 HydrophobicContact CD1-CG 3.69Å; L809-F842 HydrophobicContact CD1-CZ 4.47Å; L809-I852 HydrophobicContact CD1-CD1 3.99Å
810	E	87	Confident	82.6	Confident	82 Å²	82	40 Å²	40	38%	0.383	25%	0.245	S	C	.	.	H	α-helix	trans	-62.7	-37.7	173.3	-74.5	-168.9	163.8	0	0	112.3	Y799 I802 A806 Y807 K813 G814	Y799-E810 WeakPolarHBondContact CD1-OE2 3.34Å; I802-E810 WeakPolarHBondContact CD1-OE1 2.91Å; A806-E810 PolarHBondContact O-N 3.23Å; Y807-E810 PolarHBondContact O-N 3.1Å; E810-K813 WeakPolarHBondContact O-CB 3.35Å; E810-K813 PolarHBondContact O-N 3.01Å; E810-G814 PolarHBondContact O-N 3.27Å
811	I	88	Confident	82.9	Confident	26 Å²	26	38.6 Å²	38.6	13%	0.133	23%	0.225	C	C	.	.	H	α-helix	trans	-66.3	-42.6	175.3	-70.6	174.8	0	0	0	111	R759 I760 A763 Y807 V808 L809 K813 G814 I815	R759-I811 HydrophobicContact CB-CG2 4.44Å; I760-I811 HydrophobicContact CG1-CG2 4.35Å; A763-I811 HydrophobicContact CB-CD1 3.39Å; Y807-I811 HydrophobicContact CD1-CD1 4.07Å; Y807-I811 HydrophobicContact CE1-CD1 3.44Å; Y807-I811 VanDerWaalsContact CE1-CD1 3.44Å; Y807-I811 HydrophobicContact CE2-CD1 4.16Å; Y807-I811 PolarHBondContact O-N 3.45Å; Y807-I811 VanDerWaalsContact O-N 3.1Å; V808-I811 PolarHBondContact O-N 3.38Å; L809-I811 VanDerWaalsContact C-N 3.31Å; L809-I811 PolarHBondContact O-N 2.79Å; I811-K813 PolarHBondContact O-N 3.14Å; I811-G814 PolarHBondContact O-N 3.49Å; I811-G814 VanDerWaalsContact O-N 3.1Å; I811-I815 HydrophobicContact CG2-CD1 4.41Å; I811-I815 WeakPolarHBondContact O-CG1 3.47Å; I811-I815 PolarHBondContact O-N 2.95Å
812	F	88	Confident	83.6	Confident	11 Å²	11	34.5 Å²	34.5	5%	0.048	20%	0.195	C	C	.	.	H	α-helix	trans	-59.7	-34.7	173.6	-88.8	-76.3	0	0	0	112.8	I760 V808 L809 L820 L824 F839	I760-F812 HydrophobicContact CD1-CE1 4.19Å; I760-F812 HydrophobicContact CD1-CZ 4.4Å; I760-F812 HydrophobicContact CG2-CE2 4.44Å; I760-F812 HydrophobicContact CG2-CZ 4.15Å; V808-F812 HydrophobicContact CG1-CD2 3.81Å; V808-F812 HydrophobicContact CG1-CE2 3.73Å; V808-F812 VanDerWaalsContact O-CD2 3.3Å; V808-F812 WeakPolarHBondContact O-CD2 3.42Å; V808-F812 PolarHBondContact O-N 3.05Å; L809-F812 PolarHBondContact O-N 3.33Å; F812-L820 HydrophobicContact CD1-CD1 3.97Å; F812-L820 HydrophobicContact CE1-CD1 4.35Å; F812-L824 HydrophobicContact CE1-CD2 4.03Å; F812-L824 HydrophobicContact CZ-CD2 4.39Å; F812-F839 HydrophobicContact CE1-CZ 4.29Å; F812-F839 HydrophobicContact CE2-CE1 4.18Å; F812-F839 HydrophobicContact CZ-CE1 4.13Å; F812-F839 HydrophobicContact CZ-CZ 4.13Å
813	K	87.2	Confident	84	Confident	107 Å²	107	32.5 Å²	32.5	47%	0.465	18%	0.184	S	C	.	.	H	α-helix	trans	-73.1	-31.7	173.7	-72	176.4	176.1	-173.6	0	113.7	L809 E810 I811 I815 D848 L851	L809-K813 HydrophobicContact CD2-CD 4.15Å; L809-K813 VanDerWaalsContact CD2-CE 3.45Å; L809-K813 WeakPolarHBondContact O-CG 3.5Å; L809-K813 PolarHBondContact O-N 3.13Å; E810-K813 WeakPolarHBondContact O-CB 3.35Å; E810-K813 PolarHBondContact O-N 3.01Å; I811-K813 PolarHBondContact O-N 3.14Å; K813-I815 PolarHBondContact O-N 3.01Å; K813-D848 WeakPolarHBondContact CE-OD2 3.18Å; K813-D848 IonicContact NZ-OD2 2.81Å; K813-D848 PolarHBondContact NZ-OD2 3.29Å; K813-L851 HydrophobicContact CG-CD2 4.49Å
814	G	85.4	Confident	84.3	Confident	55 Å²	55	29.8 Å²	29.8	57%	0.567	17%	0.165	S	C	*	.	H	α-helix	trans	-74.8	-12.2	179.7	0	0	0	0	0	113.7	E810 I811	E810-G814 PolarHBondContact O-N 3.27Å; I811-G814 PolarHBondContact O-N 3.49Å; I811-G814 VanDerWaalsContact O-N 3.1Å
815	I	86.3	Confident	84.3	Confident	12 Å²	12	30.8 Å²	30.8	6%	0.062	17%	0.169	C	C	.	.	S	Bend	trans	-86.8	136.2	176.1	-64.4	166.1	0	0	0	109.1	A756 I760 I811 K813 E819 L820	A756-I815 HydrophobicContact CB-CD1 4.24Å; A756-I815 HydrophobicContact CB-CG1 4.16Å; A756-I815 HydrophobicContact CB-CG2 4.25Å; I760-I815 HydrophobicContact CD1-CD1 3.45Å; I760-I815 VanDerWaalsContact CD1-CD1 3.45Å; I760-I815 HydrophobicContact CG1-CD1 3.52Å; I811-I815 HydrophobicContact CG2-CD1 4.41Å; I811-I815 WeakPolarHBondContact O-CG1 3.47Å; I811-I815 PolarHBondContact O-N 2.95Å; K813-I815 PolarHBondContact O-N 3.01Å; I815-E819 HydrophobicContact CG2-CB 4.45Å; I815-L820 HydrophobicContact CB-CD1 4.36Å; I815-L820 HydrophobicContact CG2-CB 4.28Å; I815-L820 HydrophobicContact CG2-CD1 4.04Å
816	R	81.8	Confident	84.3	Confident	95 Å²	95	32.1 Å²	32.1	36%	0.358	18%	0.176	S	C	.	.			trans	-65.1	138.4	176.5	-71.6	179	-74.3	-169.8	-12.6	110.4	T102 E752 S818 E819 L820	T102-R816 PolarHBondContact OG1-NH1 2.82Å; E752-R816 IonicContact OE1-NH2 2.8Å; E752-R816 PolarHBondContact OE1-NH2 3.28Å; E752-R816 IonicContact OE2-CZ 3.44Å; E752-R816 IonicContact OE2-NH1 3.11Å; E752-R816 IonicContact OE2-NH2 3.93Å; E752-R816 PolarHBondContact OE2-NH2 3.02Å; R816-S818 PolarHBondContact O-N 3.29Å; R816-E819 HydrophobicContact CB-CB 4.4Å; R816-E819 HydrophobicContact CB-CG 4.17Å; R816-E819 VanDerWaalsContact CZ-CD 3.43Å; R816-E819 IonicContact CZ-OE1 3.24Å; R816-E819 IonicContact CZ-OE2 2.88Å; R816-E819 VanDerWaalsContact CZ-OE2 3.27Å; R816-E819 VanDerWaalsContact NE-CD 3.25Å; R816-E819 IonicContact NE-OE1 2.97Å; R816-E819 PolarHBondContact NE-OE1 3.44Å; R816-E819 IonicContact NE-OE2 3.49Å; R816-E819 PolarHBondContact NE-OE2 2.78Å; R816-E819 IonicContact NH1-OE1 2.68Å; R816-E819 IonicContact NH2-OE1 3.27Å; R816-E819 PolarHBondContact NH2-OE1 3.02Å; R816-E819 IonicContact NH2-OE2 3.5Å; R816-E819 PolarHBondContact NH2-OE2 2.9Å; R816-E819 PolarHBondContact O-N 3.43Å; R816-L820 PolarHBondContact O-N 3.03Å
817	S	79.9	Confident	84.4	Confident	39 Å²	39	30.9 Å²	30.9	27%	0.273	17%	0.165	S	C	.	.	H	α-helix	trans	-57.9	-33.7	-179	1.6	0	0	0	0	113.5	E139 E819 R854	E139-S817 WeakPolarHBondContact OE2-CB 3.49Å; E139-S817 PolarHBondContact OE2-OG 3.3Å; S817-E819 VanDerWaalsContact C-N 3.28Å; S817-E819 PolarHBondContact O-N 3.1Å; S817-R854 PolarHBondContact O-NH2 3.43Å
818	S	77.4	Confident	84.4	Confident	22 Å²	22	32.3 Å²	32.3	15%	0.154	18%	0.178	C	C	.	.	H	α-helix	trans	-70.8	-22.1	177.1	57.5	0	0	0	0	114	T102 E139 R816	T102-S818 VanDerWaalsContact O-CB 3.27Å; T102-S818 WeakPolarHBondContact O-CB 2.97Å; T102-S818 PolarHBondContact O-OG 2.84Å; E139-S818 VanDerWaalsContact O-CA 3.26Å; E139-S818 WeakPolarHBondContact O-CA 3.16Å; E139-S818 WeakPolarHBondContact O-CB 3.46Å; R816-S818 PolarHBondContact O-N 3.29Å
819	E	80.6	Confident	84.4	Confident	5 Å²	5	34.8 Å²	34.8	2%	0.023	19%	0.189	C	C	.	.	H	α-helix	trans	-100.5	-17.2	-177.4	-62.4	-175.3	148.2	0	0	112.6	E752 T753 I815 R816 S817 E821 E822 S823	E752-E819 WeakPolarHBondContact CB-OE1 3.46Å; T753-E819 HydrophobicContact CG2-CB 3.81Å; T753-E819 HydrophobicContact CG2-CG 4.07Å; I815-E819 HydrophobicContact CG2-CB 4.45Å; R816-E819 HydrophobicContact CB-CB 4.4Å; R816-E819 HydrophobicContact CB-CG 4.17Å; R816-E819 VanDerWaalsContact CZ-CD 3.43Å; R816-E819 IonicContact CZ-OE1 3.24Å; R816-E819 IonicContact CZ-OE2 2.88Å; R816-E819 VanDerWaalsContact CZ-OE2 3.27Å; R816-E819 VanDerWaalsContact NE-CD 3.25Å; R816-E819 IonicContact NE-OE1 2.97Å; R816-E819 PolarHBondContact NE-OE1 3.44Å; R816-E819 IonicContact NE-OE2 3.49Å; R816-E819 PolarHBondContact NE-OE2 2.78Å; R816-E819 IonicContact NH1-OE1 2.68Å; R816-E819 IonicContact NH2-OE1 3.27Å; R816-E819 PolarHBondContact NH2-OE1 3.02Å; R816-E819 IonicContact NH2-OE2 3.5Å; R816-E819 PolarHBondContact NH2-OE2 2.9Å; R816-E819 PolarHBondContact O-N 3.43Å; S817-E819 VanDerWaalsContact C-N 3.28Å; S817-E819 PolarHBondContact O-N 3.1Å; E819-E821 PolarHBondContact O-N 3.4Å; E819-E822 PolarHBondContact O-N 3.08Å; E819-S823 WeakPolarHBondContact O-CB 3.41Å; E819-S823 PolarHBondContact O-N 3.13Å; E819-S823 PolarHBondContact O-OG 3.34Å
820	L	84.1	Confident	84.5	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-59.9	-49.3	-170.7	-176.6	64.9	0	0	0	112.3	F812 I815 R816 E822 S823 L824 L851 C855	F812-L820 HydrophobicContact CD1-CD1 3.97Å; F812-L820 HydrophobicContact CE1-CD1 4.35Å; I815-L820 HydrophobicContact CB-CD1 4.36Å; I815-L820 HydrophobicContact CG2-CB 4.28Å; I815-L820 HydrophobicContact CG2-CD1 4.04Å; R816-L820 PolarHBondContact O-N 3.03Å; L820-E822 VanDerWaalsContact C-N 3.35Å; L820-E822 PolarHBondContact O-N 3.1Å; L820-S823 PolarHBondContact O-N 3.3Å; L820-S823 PolarHBondContact O-OG 2.75Å; L820-L824 WeakPolarHBondContact O-CG 3.33Å; L820-L824 PolarHBondContact O-N 3.11Å; L820-L851 HydrophobicContact CD2-CD1 3.4Å; L820-L851 HydrophobicContact CD2-CG 4.43Å; L820-C855 WeakPolarHBondContact CD2-SG 3.24Å
821	E	81.3	Confident	84.6	Confident	25 Å²	25	34.7 Å²	34.7	12%	0.117	19%	0.194	C	C	.	.	H	α-helix	trans	-64.3	-40.9	-179.2	-72.6	167.2	158.6	0	0	111.2	F745 E819 L824 L825 R854 F858	F745-E821 HydrophobicContact CE1-CB 3.84Å; F745-E821 HydrophobicContact CZ-CB 3.74Å; F745-E821 HydrophobicContact CZ-CG 4.12Å; F745-E821 WeakPolarHBondContact CZ-OE2 3.37Å; E819-E821 PolarHBondContact O-N 3.4Å; E821-L824 PolarHBondContact O-N 2.71Å; E821-L825 PolarHBondContact O-N 2.95Å; E821-L825 VanDerWaalsContact O-N 3.17Å; E821-R854 IonicContact OE1-CZ 2.9Å; E821-R854 IonicContact OE1-NE 3.83Å; E821-R854 PolarHBondContact OE1-NE 3.08Å; E821-R854 IonicContact OE1-NH2 2.71Å; E821-R854 PolarHBondContact OE1-NH2 2.9Å; E821-R854 IonicContact OE2-CZ 2.64Å; E821-R854 IonicContact OE2-NE 2.78Å; E821-R854 IonicContact OE2-NH2 3.19Å; E821-R854 PolarHBondContact OE2-NH2 2.97Å; E821-F858 HydrophobicContact CB-CD1 4.37Å; E821-F858 HydrophobicContact CB-CD2 4.14Å; E821-F858 HydrophobicContact CB-CE1 4.05Å; E821-F858 HydrophobicContact CB-CE2 3.83Å; E821-F858 HydrophobicContact CB-CG 4.4Å; E821-F858 HydrophobicContact CB-CZ 3.75Å; E821-F858 HydrophobicContact CG-CD1 4.42Å; E821-F858 HydrophobicContact CG-CD2 3.94Å; E821-F858 HydrophobicContact CG-CE2 4.14Å; E821-F858 HydrophobicContact CG-CG 4.08Å; E821-F858 HydrophobicContact CG-CZ 4.42Å; E821-F858 WeakPolarHBondContact O-CE1 3.26Å; E821-F858 WeakPolarHBondContact O-CZ 3.42Å
822	E	78.4	Confident	84.6	Confident	13 Å²	13	33.4 Å²	33.4	6%	0.061	19%	0.188	C	C	.	.	H	α-helix	trans	-68.2	-40.8	176	-67.4	-170.8	-154.5	0	0	113.2	G747 K748 K749 T753 E819 L820 L824 L825 V826	G747-E822 WeakPolarHBondContact CA-OE1 3.38Å; K748-E822 PolarHBondContact N-OE1 2.83Å; K749-E822 PolarHBondContact N-OE2 3Å; T753-E822 HydrophobicContact CG2-CB 3.79Å; E819-E822 PolarHBondContact O-N 3.08Å; L820-E822 VanDerWaalsContact C-N 3.35Å; L820-E822 PolarHBondContact O-N 3.1Å; E822-L824 PolarHBondContact O-N 2.94Å; E822-L825 WeakPolarHBondContact O-CB 3.41Å; E822-L825 PolarHBondContact O-N 3.36Å; E822-V826 PolarHBondContact O-N 2.84Å
823	S	85.8	Confident	84.6	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60	-37.5	177.5	71.6	0	0	0	0	111.1	A757 E819 L820 L825 V826	A757-S823 WeakPolarHBondContact CB-O 3.43Å; E819-S823 WeakPolarHBondContact O-CB 3.41Å; E819-S823 PolarHBondContact O-N 3.13Å; E819-S823 PolarHBondContact O-OG 3.34Å; L820-S823 PolarHBondContact O-N 3.3Å; L820-S823 PolarHBondContact O-OG 2.75Å; S823-L825 VanDerWaalsContact C-N 3.35Å; S823-L825 PolarHBondContact O-N 3.33Å; S823-V826 PolarHBondContact O-N 2.89Å
824	L	85.8	Confident	84.6	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-68.2	-31.3	175.2	-71.1	175.1	0	0	0	113	F812 L820 E821 E822 V826 L827 C855 F858 L859	F812-L824 HydrophobicContact CE1-CD2 4.03Å; F812-L824 HydrophobicContact CZ-CD2 4.39Å; L820-L824 WeakPolarHBondContact O-CG 3.33Å; L820-L824 PolarHBondContact O-N 3.11Å; E821-L824 PolarHBondContact O-N 2.71Å; E822-L824 PolarHBondContact O-N 2.94Å; L824-V826 VanDerWaalsContact C-N 3.31Å; L824-L827 HydrophobicContact CD2-CD1 3.65Å; L824-L827 PolarHBondContact O-N 2.84Å; L824-C855 HydrophobicContact CD1-CB 3.89Å; L824-F858 HydrophobicContact CB-CD1 3.87Å; L824-F858 HydrophobicContact CB-CE1 3.83Å; L824-F858 HydrophobicContact CD1-CD1 3.97Å; L824-L859 HydrophobicContact CB-CD2 4.28Å; L824-L859 HydrophobicContact CD1-CG 4.38Å; L824-L859 HydrophobicContact CD2-CD1 4.26Å; L824-L859 HydrophobicContact CD2-CD2 4.25Å; L824-L859 HydrophobicContact CD2-CG 4.35Å
825	L	84.3	Confident	84.8	Confident	53 Å²	53	27.7 Å²	27.7	28%	0.277	15%	0.151	S	C	.	.	H	α-helix	trans	-69.1	-29.6	176.1	-179.5	66.3	0	0	0	112.5	V735 E821 E822 S823 L827 I862	V735-L825 HydrophobicContact CG2-CD1 4.22Å; E821-L825 PolarHBondContact O-N 2.95Å; E821-L825 VanDerWaalsContact O-N 3.17Å; E822-L825 WeakPolarHBondContact O-CB 3.41Å; E822-L825 PolarHBondContact O-N 3.36Å; S823-L825 VanDerWaalsContact C-N 3.35Å; S823-L825 PolarHBondContact O-N 3.33Å; L825-L827 VanDerWaalsContact C-N 3.28Å; L825-I862 HydrophobicContact CB-CD1 4.18Å; L825-I862 HydrophobicContact CD1-CD1 3.67Å; L825-I862 HydrophobicContact CD1-CG1 4.28Å; L825-I862 HydrophobicContact CD1-CG2 4.2Å
826	V	84.1	Confident	84.9	Confident	45 Å²	45	27.2 Å²	27.2	27%	0.273	15%	0.148	S	C	.	.	H	α-helix	trans	-75.1	-19.1	178.8	177.7	0	0	0	0	111.8	A757 E822 S823 L824	A757-V826 HydrophobicContact CB-CB 4.03Å; A757-V826 HydrophobicContact CB-CG1 4.05Å; E822-V826 PolarHBondContact O-N 2.84Å; S823-V826 PolarHBondContact O-N 2.89Å; L824-V826 VanDerWaalsContact C-N 3.31Å
827	L	85.1	Confident	85.2	Confident	7 Å²	7	27 Å²	27	4%	0.037	15%	0.15	C	C	.	.	S	Bend	trans	-67.4	133.3	-175.1	-68.5	174.7	0	0	0	113.1	A757 I760 M761 L824 L825 I835	A757-L827 HydrophobicContact CB-CD2 4.23Å; I760-L827 HydrophobicContact CB-CD2 4.43Å; I760-L827 HydrophobicContact CG2-CD1 4.11Å; I760-L827 HydrophobicContact CG2-CD2 4.26Å; M761-L827 HydrophobicContact CG-CD2 3.6Å; M761-L827 HydrophobicContact SD-CD2 4.27Å; L824-L827 HydrophobicContact CD2-CD1 3.65Å; L824-L827 PolarHBondContact O-N 2.84Å; L825-L827 VanDerWaalsContact C-N 3.28Å; L827-I835 HydrophobicContact CD1-CD1 3.8Å
828	P	87.7	Confident	85.6	Confident	59 Å²	59	25.2 Å²	25.2	38%	0.383	14%	0.138	S	C	.	.			trans	-64.4	145.4	168.8	-22	32.8	0	0	0	112.6	M761 S830 Y831	M761-P828 HydrophobicContact SD-CG 4.33Å; P828-S830 PolarHBondContact O-N 3.47Å; P828-Y831 HydrophobicContact CB-CD2 4.12Å; P828-Y831 HydrophobicContact CB-CE2 4.36Å; P828-Y831 HydrophobicContact CG-CD2 4.21Å; P828-Y831 HydrophobicContact CG-CE2 4.16Å; P828-Y831 PolarHBondContact O-N 2.9Å; P828-Y831 VanDerWaalsContact O-N 3.13Å
829	F	86.7	Confident	86.1	Confident	55 Å²	55	24.2 Å²	24.2	24%	0.241	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.8	179.6	-177.3	-105.9	0	0	0	114	Y831 V832 P833 H863 Q866 I867 L873	F829-Y831 PolarHBondContact O-N 3.07Å; F829-V832 HydrophobicContact CD2-CB 4.18Å; F829-V832 HydrophobicContact CD2-CG2 4.28Å; F829-V832 HydrophobicContact CE2-CB 4.48Å; F829-V832 PolarHBondContact O-N 2.84Å; F829-P833 WeakPolarHBondContact O-CD 3.24Å; F829-H863 HydrophobicContact CD2-CB 4.16Å; F829-H863 AromaticContact CD2-CG 3.92Å; F829-H863 AromaticContact CD2-ND1 3.62Å; F829-H863 HydrophobicContact CE2-CB 4.14Å; F829-Q866 HydrophobicContact CD2-CB 3.98Å; F829-Q866 HydrophobicContact CE1-CB 4.35Å; F829-Q866 HydrophobicContact CE2-CB 3.6Å; F829-Q866 HydrophobicContact CG-CB 4.48Å; F829-Q866 VanDerWaalsContact CG-OE1 3.25Å; F829-Q866 HydrophobicContact CZ-CB 3.81Å; F829-I867 HydrophobicContact CE2-CG1 4.1Å; F829-L873 HydrophobicContact CZ-CD1 4.27Å
830	S	89.3	Confident	86.4	Confident	70 Å²	70	24.8 Å²	24.8	49%	0.49	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.2	177.3	55.1	0	0	0	0	113.7	R768 P828	R768-S830 PolarHBondContact NH2-O 3.29Å; P828-S830 PolarHBondContact O-N 3.47Å
831	Y	89.9	Confident	86.5	Confident	28 Å²	28	28.5 Å²	28.5	11%	0.11	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-25.2	179.8	-64	-77.7	0	0	0	113.2	M761 I764 E765 P828 F829 D834 I835	M761-Y831 HydrophobicContact CG-CD2 4.16Å; M761-Y831 HydrophobicContact CG-CE2 3.96Å; M761-Y831 HydrophobicContact SD-CD2 4.29Å; M761-Y831 HydrophobicContact SD-CE2 3.81Å; I764-Y831 HydrophobicContact CB-CD1 4.2Å; I764-Y831 HydrophobicContact CD1-CD1 4.43Å; I764-Y831 HydrophobicContact CG2-CD1 3.83Å; E765-Y831 HydrophobicContact CG-CE1 4.08Å; E765-Y831 PolarHBondContact OE1-OH 3.2Å; P828-Y831 HydrophobicContact CB-CD2 4.12Å; P828-Y831 HydrophobicContact CB-CE2 4.36Å; P828-Y831 HydrophobicContact CG-CD2 4.21Å; P828-Y831 HydrophobicContact CG-CE2 4.16Å; P828-Y831 PolarHBondContact O-N 2.9Å; P828-Y831 VanDerWaalsContact O-N 3.13Å; F829-Y831 PolarHBondContact O-N 3.07Å; Y831-D834 PolarHBondContact O-N 3.11Å; Y831-D834 VanDerWaalsContact O-N 3.1Å; Y831-I835 WeakPolarHBondContact O-CG1 3.43Å; Y831-I835 PolarHBondContact O-N 3.38Å; Y831-I835 VanDerWaalsContact O-N 3.15Å
832	V	87.5	Confident	86.7	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57.2	-43.9	-174.8	179.4	0	0	0	0	113.5	F829 D834 I835 L836 L859	F829-V832 HydrophobicContact CD2-CB 4.18Å; F829-V832 HydrophobicContact CD2-CG2 4.28Å; F829-V832 HydrophobicContact CE2-CB 4.48Å; F829-V832 PolarHBondContact O-N 2.84Å; V832-D834 PolarHBondContact O-N 2.97Å; V832-I835 PolarHBondContact O-N 2.92Å; V832-L836 HydrophobicContact CG1-CD1 4.2Å; V832-L836 HydrophobicContact CG1-CG 4.35Å; V832-L836 WeakPolarHBondContact O-CG 3.4Å; V832-L836 PolarHBondContact O-N 2.79Å; V832-L859 HydrophobicContact CG2-CD2 4.34Å
833	P	88.2	Confident	87	Confident	24 Å²	24	27 Å²	27	16%	0.156	14%	0.144	C	C	.	.	H	α-helix	trans	-57.1	-34.3	176.5	-30	37.6	0	0	0	114.6	F829 K837 L873	F829-P833 WeakPolarHBondContact O-CD 3.24Å; P833-K837 WeakPolarHBondContact O-CG 3.49Å; P833-K837 PolarHBondContact O-N 3.1Å; P833-L873 HydrophobicContact CB-CD2 3.91Å; P833-L873 HydrophobicContact CG-CD2 4.27Å
834	D	87.7	Confident	86.9	Confident	27 Å²	27	32.3 Å²	32.3	14%	0.144	17%	0.169	C	C	.	.	H	α-helix	trans	-81.2	-35.9	-178.7	-65.7	-32.2	0	0	0	111.1	I764 R768 Y831 V832 L836 K837 L838	I764-D834 HydrophobicContact CG2-CB 4.29Å; R768-D834 IonicContact CZ-OD2 3.16Å; R768-D834 IonicContact NE-OD2 3.32Å; R768-D834 PolarHBondContact NE-OD2 2.88Å; R768-D834 IonicContact NH2-OD2 3.61Å; R768-D834 PolarHBondContact NH2-OD2 3.22Å; Y831-D834 PolarHBondContact O-N 3.11Å; Y831-D834 VanDerWaalsContact O-N 3.1Å; V832-D834 PolarHBondContact O-N 2.97Å; D834-L836 VanDerWaalsContact C-N 3.34Å; D834-L836 PolarHBondContact O-N 2.86Å; D834-K837 PolarHBondContact O-N 2.91Å; D834-K837 IonicContact OD1-NZ 2.67Å; D834-K837 PolarHBondContact OD1-NZ 3.49Å; D834-L838 WeakPolarHBondContact O-CG 3.36Å; D834-L838 PolarHBondContact O-N 2.66Å
835	I	89.6	Confident	86.8	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-59	-45.1	170.5	-62.9	170.8	0	0	0	110.7	I764 L827 Y831 V832 K837 L838 F839 L859	I764-I835 HydrophobicContact CD1-CD1 3.67Å; I764-I835 HydrophobicContact CD1-CG1 3.47Å; I764-I835 VanDerWaalsContact CD1-CG1 3.47Å; I764-I835 HydrophobicContact CG1-CG1 4.44Å; L827-I835 HydrophobicContact CD1-CD1 3.8Å; Y831-I835 WeakPolarHBondContact O-CG1 3.43Å; Y831-I835 PolarHBondContact O-N 3.38Å; Y831-I835 VanDerWaalsContact O-N 3.15Å; V832-I835 PolarHBondContact O-N 2.92Å; I835-K837 VanDerWaalsContact C-N 3.31Å; I835-K837 PolarHBondContact O-N 3.42Å; I835-L838 PolarHBondContact O-N 3.17Å; I835-F839 HydrophobicContact CG2-CD1 4.05Å; I835-F839 HydrophobicContact CG2-CD2 3.99Å; I835-F839 HydrophobicContact CG2-CE1 3.62Å; I835-F839 HydrophobicContact CG2-CE2 3.55Å; I835-F839 HydrophobicContact CG2-CG 4.24Å; I835-F839 HydrophobicContact CG2-CZ 3.34Å; I835-F839 WeakPolarHBondContact O-CG 3.31Å; I835-F839 PolarHBondContact O-N 3.41Å; I835-L859 HydrophobicContact CB-CD1 4.49Å; I835-L859 HydrophobicContact CG2-CD1 3.68Å
836	L	88.5	Confident	86.3	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-61.7	-37.1	178.1	-69.7	174.7	0	0	0	112.5	V832 D834 N840 L856 I867 V876 L880	V832-L836 HydrophobicContact CG1-CD1 4.2Å; V832-L836 HydrophobicContact CG1-CG 4.35Å; V832-L836 WeakPolarHBondContact O-CG 3.4Å; V832-L836 PolarHBondContact O-N 2.79Å; D834-L836 VanDerWaalsContact C-N 3.34Å; D834-L836 PolarHBondContact O-N 2.86Å; L836-N840 PolarHBondContact O-N 2.91Å; L836-L856 HydrophobicContact CD2-CD1 3.6Å; L836-I867 HydrophobicContact CD1-CD1 4.42Å; L836-V876 HydrophobicContact CB-CG1 4.29Å; L836-L880 HydrophobicContact CB-CD1 4.33Å; L836-L880 HydrophobicContact CD2-CD1 4.22Å; L836-L880 WeakPolarHBondContact O-CD1 3.38Å
837	K	87.6	Confident	85.9	Confident	90 Å²	90	37.4 Å²	37.4	39%	0.391	21%	0.206	S	C	.	.	H	α-helix	trans	-67	-44.6	174.5	-67.8	169.3	-158.7	153.3	0	111.3	P833 D834 I835 N840 E841 V876	P833-K837 WeakPolarHBondContact O-CG 3.49Å; P833-K837 PolarHBondContact O-N 3.1Å; D834-K837 PolarHBondContact O-N 2.91Å; D834-K837 IonicContact OD1-NZ 2.67Å; D834-K837 PolarHBondContact OD1-NZ 3.49Å; I835-K837 VanDerWaalsContact C-N 3.31Å; I835-K837 PolarHBondContact O-N 3.42Å; K837-N840 WeakPolarHBondContact O-CB 3.39Å; K837-N840 PolarHBondContact O-N 3.24Å; K837-E841 PolarHBondContact O-N 3.09Å; K837-V876 HydrophobicContact CG-CG1 4.22Å; K837-V876 HydrophobicContact CG-CG2 4.47Å
838	L	87.9	Confident	85.5	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-61.8	-42.3	177.7	-76.8	171.6	0	0	0	111.9	Y767 V808 D834 I835 N840 E841 F842	Y767-L838 HydrophobicContact CD1-CD1 4.02Å; Y767-L838 HydrophobicContact CD1-CD2 4.3Å; Y767-L838 HydrophobicContact CD1-CG 4.38Å; Y767-L838 HydrophobicContact CD2-CD2 3.97Å; Y767-L838 HydrophobicContact CE1-CD1 4.13Å; Y767-L838 HydrophobicContact CE1-CD2 3.84Å; Y767-L838 HydrophobicContact CE1-CG 3.99Å; Y767-L838 HydrophobicContact CE2-CD2 3.5Å; Y767-L838 HydrophobicContact CG-CD1 4.3Å; Y767-L838 HydrophobicContact CG-CD2 4.35Å; Y767-L838 VanDerWaalsContact CZ-CD2 3.42Å; V808-L838 HydrophobicContact CB-CD1 4.44Å; V808-L838 HydrophobicContact CG1-CD1 4.07Å; V808-L838 HydrophobicContact CG2-CD1 4.29Å; D834-L838 WeakPolarHBondContact O-CG 3.36Å; D834-L838 PolarHBondContact O-N 2.66Å; I835-L838 PolarHBondContact O-N 3.17Å; L838-N840 VanDerWaalsContact C-N 3.3Å; L838-N840 PolarHBondContact O-N 2.87Å; L838-E841 WeakPolarHBondContact O-CB 3.4Å; L838-E841 PolarHBondContact O-N 2.98Å; L838-E841 VanDerWaalsContact O-N 3.08Å; L838-F842 HydrophobicContact CB-CE2 3.9Å; L838-F842 HydrophobicContact CB-CZ 4.13Å; L838-F842 HydrophobicContact CD2-CZ 4.17Å; L838-F842 VanDerWaalsContact O-CD2 3.24Å; L838-F842 WeakPolarHBondContact O-CD2 3.4Å; L838-F842 WeakPolarHBondContact O-CG 3.33Å; L838-F842 PolarHBondContact O-N 3.46Å
839	F	88.4	Confident	85.2	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.009	21%	0.21	C	C	.	.	H	α-helix	trans	-60.7	-38.9	176.2	-73	-3.6	0	0	0	112.3	F812 I835 F842 I843 I852 C855 L856 L859	F812-F839 HydrophobicContact CE1-CZ 4.29Å; F812-F839 HydrophobicContact CE2-CE1 4.18Å; F812-F839 HydrophobicContact CZ-CE1 4.13Å; F812-F839 HydrophobicContact CZ-CZ 4.13Å; I835-F839 HydrophobicContact CG2-CD1 4.05Å; I835-F839 HydrophobicContact CG2-CD2 3.99Å; I835-F839 HydrophobicContact CG2-CE1 3.62Å; I835-F839 HydrophobicContact CG2-CE2 3.55Å; I835-F839 HydrophobicContact CG2-CG 4.24Å; I835-F839 HydrophobicContact CG2-CZ 3.34Å; I835-F839 WeakPolarHBondContact O-CG 3.31Å; I835-F839 PolarHBondContact O-N 3.41Å; F839-F842 HydrophobicContact CD1-CD2 4.04Å; F839-F842 HydrophobicContact CD1-CE2 4.35Å; F839-F842 PolarHBondContact O-N 3.41Å; F839-I843 WeakPolarHBondContact O-CB 3.47Å; F839-I843 WeakPolarHBondContact O-CD1 3.22Å; F839-I843 WeakPolarHBondContact O-CG1 3.38Å; F839-I843 PolarHBondContact O-N 2.89Å; F839-I852 HydrophobicContact CB-CG2 3.78Å; F839-I852 HydrophobicContact CD1-CG2 3.77Å; F839-I852 HydrophobicContact CD2-CG2 4.08Å; F839-I852 HydrophobicContact CE1-CG2 4.33Å; F839-I852 HydrophobicContact CG-CG2 3.63Å; F839-C855 HydrophobicContact CE2-CB 3.63Å; F839-C855 HydrophobicContact CZ-CB 3.51Å; F839-L856 HydrophobicContact CD2-CB 4.03Å; F839-L856 HydrophobicContact CD2-CD1 4.17Å; F839-L856 HydrophobicContact CE2-CB 4.34Å; F839-L859 HydrophobicContact CE2-CD1 3.86Å; F839-L859 HydrophobicContact CZ-CD1 4.37Å
840	N	87	Confident	85	Confident	17 Å²	17	43 Å²	43	9%	0.091	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-42.2	173.6	-174.1	25.2	0	0	0	111.8	L836 K837 L838 Q844 L880 T883	L836-N840 PolarHBondContact O-N 2.91Å; K837-N840 WeakPolarHBondContact O-CB 3.39Å; K837-N840 PolarHBondContact O-N 3.24Å; L838-N840 VanDerWaalsContact C-N 3.3Å; L838-N840 PolarHBondContact O-N 2.87Å; N840-Q844 VanDerWaalsContact O-CG 3.26Å; N840-Q844 WeakPolarHBondContact O-CG 3.41Å; N840-Q844 PolarHBondContact O-N 2.84Å; N840-Q844 VanDerWaalsContact O-N 3.13Å; N840-Q844 PolarHBondContact OD1-NE2 2.96Å; N840-Q844 VanDerWaalsContact OD1-NE2 3.12Å; N840-L880 HydrophobicContact CB-CD1 4.35Å; N840-L880 HydrophobicContact CB-CG 4.25Å; N840-T883 PolarHBondContact OD1-OG1 3.38Å
841	E	85.9	Confident	84.8	Confident	79 Å²	79	41.9 Å²	41.9	37%	0.369	22%	0.219	S	C	.	.	H	α-helix	trans	-62.7	-43	175.3	-68.4	-177.5	-176.4	0	0	111.9	K837 L838 Q844 L845	K837-E841 PolarHBondContact O-N 3.09Å; L838-E841 WeakPolarHBondContact O-CB 3.4Å; L838-E841 PolarHBondContact O-N 2.98Å; L838-E841 VanDerWaalsContact O-N 3.08Å; E841-Q844 PolarHBondContact O-N 3.07Å; E841-L845 WeakPolarHBondContact O-CG 3.47Å; E841-L845 PolarHBondContact O-N 2.87Å; E841-L845 VanDerWaalsContact O-N 3.15Å
842	F	85.6	Confident	84.6	Confident	5 Å²	5	40.9 Å²	40.9	2%	0.022	22%	0.216	C	C	.	.	H	α-helix	trans	-68.4	-41.1	179.9	-59.5	-33.4	0	0	0	113.4	S805 V808 L809 L838 F839 Q844 L845 G846 S847 I852	S805-F842 WeakPolarHBondContact O-CE1 3.31Å; S805-F842 WeakPolarHBondContact O-CZ 3.25Å; V808-F842 HydrophobicContact CB-CZ 4.37Å; L809-F842 HydrophobicContact CB-CD1 4.48Å; L809-F842 HydrophobicContact CB-CE1 4.02Å; L809-F842 HydrophobicContact CB-CE2 4.26Å; L809-F842 HydrophobicContact CB-CZ 3.92Å; L809-F842 HydrophobicContact CD1-CB 4.08Å; L809-F842 HydrophobicContact CD1-CD1 3.82Å; L809-F842 HydrophobicContact CD1-CD2 3.92Å; L809-F842 HydrophobicContact CD1-CE1 4.21Å; L809-F842 HydrophobicContact CD1-CE2 4.32Å; L809-F842 HydrophobicContact CD1-CG 3.69Å; L809-F842 HydrophobicContact CD1-CZ 4.47Å; L838-F842 HydrophobicContact CB-CE2 3.9Å; L838-F842 HydrophobicContact CB-CZ 4.13Å; L838-F842 HydrophobicContact CD2-CZ 4.17Å; L838-F842 VanDerWaalsContact O-CD2 3.24Å; L838-F842 WeakPolarHBondContact O-CD2 3.4Å; L838-F842 WeakPolarHBondContact O-CG 3.33Å; L838-F842 PolarHBondContact O-N 3.46Å; F839-F842 HydrophobicContact CD1-CD2 4.04Å; F839-F842 HydrophobicContact CD1-CE2 4.35Å; F839-F842 PolarHBondContact O-N 3.41Å; F842-Q844 VanDerWaalsContact C-N 3.29Å; F842-Q844 PolarHBondContact O-N 3.01Å; F842-L845 CarbonylContact O-C 3.57Å; F842-L845 PolarHBondContact O-N 2.94Å; F842-G846 PolarHBondContact O-N 2.83Å; F842-S847 PolarHBondContact O-N 2.98Å; F842-I852 HydrophobicContact CB-CD1 3.33Å; F842-I852 HydrophobicContact CD2-CD1 3.94Å; F842-I852 HydrophobicContact CG-CD1 4.02Å
843	I	84.1	Confident	84.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-37.5	177.5	-67.7	165.8	0	0	0	110.2	F839 L845 G846 I852 L880 K887	F839-I843 WeakPolarHBondContact O-CB 3.47Å; F839-I843 WeakPolarHBondContact O-CD1 3.22Å; F839-I843 WeakPolarHBondContact O-CG1 3.38Å; F839-I843 PolarHBondContact O-N 2.89Å; I843-L845 VanDerWaalsContact C-N 3.33Å; I843-L845 PolarHBondContact O-N 2.75Å; I843-G846 PolarHBondContact O-N 3.23Å; I843-G846 VanDerWaalsContact O-N 3.08Å; I843-I852 HydrophobicContact CD1-CG2 3.99Å; I843-I852 HydrophobicContact CG1-CG2 3.92Å; I843-L880 HydrophobicContact CD1-CD2 4.25Å; I843-K887 HydrophobicContact CG2-CB 4.07Å; I843-K887 HydrophobicContact CG2-CG 3.94Å
844	Q	84.7	Confident	84.4	Confident	112 Å²	112	42.6 Å²	42.6	52%	0.523	22%	0.22	S	C	.	.	H	α-helix	trans	-62	-41.2	173.7	-74.4	174.6	22	0	0	112.2	N840 E841 F842 G846 T883	N840-Q844 VanDerWaalsContact O-CG 3.26Å; N840-Q844 WeakPolarHBondContact O-CG 3.41Å; N840-Q844 PolarHBondContact O-N 2.84Å; N840-Q844 VanDerWaalsContact O-N 3.13Å; N840-Q844 PolarHBondContact OD1-NE2 2.96Å; N840-Q844 VanDerWaalsContact OD1-NE2 3.12Å; E841-Q844 PolarHBondContact O-N 3.07Å; F842-Q844 VanDerWaalsContact C-N 3.29Å; F842-Q844 PolarHBondContact O-N 3.01Å; Q844-G846 PolarHBondContact O-N 2.93Å; Q844-T883 HydrophobicContact CG-CG2 3.83Å
845	L	82.6	Confident	84.4	Confident	126 Å²	126	41.3 Å²	41.3	66%	0.66	21%	0.214	S	C	*	.	H	α-helix	trans	-70.8	-15.3	175	-67.5	168.7	0	0	0	113	E841 F842 I843 S847	E841-L845 WeakPolarHBondContact O-CG 3.47Å; E841-L845 PolarHBondContact O-N 2.87Å; E841-L845 VanDerWaalsContact O-N 3.15Å; F842-L845 CarbonylContact O-C 3.57Å; F842-L845 PolarHBondContact O-N 2.94Å; I843-L845 VanDerWaalsContact C-N 3.33Å; I843-L845 PolarHBondContact O-N 2.75Å; L845-S847 VanDerWaalsContact C-N 3.28Å; L845-S847 PolarHBondContact O-N 3.39Å
846	G	75.3	Confident	84.3	Confident	35 Å²	35	41.4 Å²	41.4	36%	0.361	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	20.4	179.8	0	0	0	0	0	114	F842 I843 Q844	F842-G846 PolarHBondContact O-N 2.83Å; I843-G846 PolarHBondContact O-N 3.23Å; I843-G846 VanDerWaalsContact O-N 3.08Å; Q844-G846 PolarHBondContact O-N 2.93Å
847	S	74.3	Confident	84.3	Confident	45 Å²	45	47.1 Å²	47.1	32%	0.315	24%	0.239	S	C	.	.	S	Bend	trans	-83	123.7	177.1	-59.3	0	0	0	0	109.9	F842 L845 V849 I852	F842-S847 PolarHBondContact O-N 2.98Å; L845-S847 VanDerWaalsContact C-N 3.28Å; L845-S847 PolarHBondContact O-N 3.39Å; S847-V849 PolarHBondContact O-N 3.11Å; S847-I852 VanDerWaalsContact O-CD1 3.26Å; S847-I852 WeakPolarHBondContact O-CD1 3.02Å
848	D	76.4	Confident	84.1	Confident	76 Å²	76	43.2 Å²	43.2	41%	0.406	22%	0.222	S	C	.	.	S	Bend	trans	41.7	56.4	172.1	-54.8	-64.2	0	0	0	115.2	K813 E850 L851 I852	K813-D848 WeakPolarHBondContact CE-OD2 3.18Å; K813-D848 IonicContact NZ-OD2 2.81Å; K813-D848 PolarHBondContact NZ-OD2 3.29Å; D848-E850 PolarHBondContact O-N 3.11Å; D848-L851 HydrophobicContact CB-CB 4.44Å; D848-L851 PolarHBondContact O-N 2.88Å; D848-I852 WeakPolarHBondContact O-CG1 3.16Å; D848-I852 PolarHBondContact O-N 3.5Å
849	V	82.4	Confident	84	Confident	15 Å²	15	43.1 Å²	43.1	9%	0.091	22%	0.222	C	C	.	.	H	α-helix	trans	-57.1	-37.5	-175.1	-178	0	0	0	0	112	S847 I852 C853 K887 V888	S847-V849 PolarHBondContact O-N 3.11Å; V849-I852 PolarHBondContact O-N 3.17Å; V849-C853 WeakPolarHBondContact O-CB 3.49Å; V849-C853 PolarHBondContact O-N 3.44Å; V849-C853 PolarHBondContact O-SG 2.89Å; V849-K887 HydrophobicContact CG1-CB 4.44Å; V849-V888 HydrophobicContact CG1-CG2 4.44Å
850	E	82.1	Confident	83.9	Confident	146 Å²	146	45.4 Å²	45.4	68%	0.682	23%	0.234	S	C	*	.	H	α-helix	trans	-63.5	-49.7	-178.2	-64.8	178.1	177.5	0	0	112.5	D848 I852 C853 R854	D848-E850 PolarHBondContact O-N 3.11Å; E850-I852 VanDerWaalsContact C-N 3.35Å; E850-I852 PolarHBondContact O-N 2.76Å; E850-C853 PolarHBondContact O-N 3.22Å; E850-R854 PolarHBondContact O-N 2.61Å
851	L	84.6	Confident	83.8	Confident	48 Å²	48	50.5 Å²	50.5	25%	0.251	25%	0.252	S	S	.	.	H	α-helix	trans	-59.9	-46.8	178.1	-178.5	67.5	0	0	0	110.9	K813 L820 D848 R854 C855	K813-L851 HydrophobicContact CG-CD2 4.49Å; L820-L851 HydrophobicContact CD2-CD1 3.4Å; L820-L851 HydrophobicContact CD2-CG 4.43Å; D848-L851 HydrophobicContact CB-CB 4.44Å; D848-L851 PolarHBondContact O-N 2.88Å; L851-R854 WeakPolarHBondContact O-CB 3.26Å; L851-R854 PolarHBondContact O-N 2.7Å; L851-C855 PolarHBondContact O-N 2.61Å; L851-C855 PolarHBondContact O-SG 2.87Å
852	I	86.9	Confident	83.6	Confident	7 Å²	7	47.7 Å²	47.7	4%	0.036	24%	0.239	C	C	.	.	H	α-helix	trans	-69.1	-40.2	-177	-61	175.3	0	0	0	110.8	L809 F839 F842 I843 S847 D848 V849 E850 R854 C855 L856	L809-I852 HydrophobicContact CD1-CD1 3.99Å; F839-I852 HydrophobicContact CB-CG2 3.78Å; F839-I852 HydrophobicContact CD1-CG2 3.77Å; F839-I852 HydrophobicContact CD2-CG2 4.08Å; F839-I852 HydrophobicContact CE1-CG2 4.33Å; F839-I852 HydrophobicContact CG-CG2 3.63Å; F842-I852 HydrophobicContact CB-CD1 3.33Å; F842-I852 HydrophobicContact CD2-CD1 3.94Å; F842-I852 HydrophobicContact CG-CD1 4.02Å; I843-I852 HydrophobicContact CD1-CG2 3.99Å; I843-I852 HydrophobicContact CG1-CG2 3.92Å; S847-I852 VanDerWaalsContact O-CD1 3.26Å; S847-I852 WeakPolarHBondContact O-CD1 3.02Å; D848-I852 WeakPolarHBondContact O-CG1 3.16Å; D848-I852 PolarHBondContact O-N 3.5Å; V849-I852 PolarHBondContact O-N 3.17Å; E850-I852 VanDerWaalsContact C-N 3.35Å; E850-I852 PolarHBondContact O-N 2.76Å; I852-R854 VanDerWaalsContact C-N 3.32Å; I852-R854 PolarHBondContact O-N 3.02Å; I852-C855 PolarHBondContact O-N 2.81Å; I852-L856 WeakPolarHBondContact O-CB 3.29Å; I852-L856 PolarHBondContact O-N 3.26Å
853	C	86.3	Confident	83.5	Confident	9 Å²	9	48.2 Å²	48.2	6%	0.061	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-40.7	174.1	-76.2	0	0	0	0	111.5	V849 E850 L856 F857	V849-C853 WeakPolarHBondContact O-CB 3.49Å; V849-C853 PolarHBondContact O-N 3.44Å; V849-C853 PolarHBondContact O-SG 2.89Å; E850-C853 PolarHBondContact O-N 3.22Å; C853-L856 PolarHBondContact O-N 2.97Å; C853-F857 HydrophobicContact CB-CD2 4.47Å; C853-F857 HydrophobicContact CB-CE2 3.99Å; C853-F857 HydrophobicContact CB-CZ 4.46Å; C853-F857 WeakPolarHBondContact O-CB 3.16Å; C853-F857 WeakPolarHBondContact O-CD2 3.31Å; C853-F857 WeakPolarHBondContact O-CG 3.19Å; C853-F857 PolarHBondContact O-N 3.13Å
854	R	84.9	Confident	83.5	Confident	50 Å²	50	54.9 Å²	54.9	19%	0.189	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-52.1	174.1	-177.4	175.6	173.6	-168.6	-10.1	111.4	N138 S817 E821 E850 L851 I852 L856 F857 F858	N138-R854 PolarHBondContact O-NH1 3.49Å; S817-R854 PolarHBondContact O-NH2 3.43Å; E821-R854 IonicContact OE1-CZ 2.9Å; E821-R854 IonicContact OE1-NE 3.83Å; E821-R854 PolarHBondContact OE1-NE 3.08Å; E821-R854 IonicContact OE1-NH2 2.71Å; E821-R854 PolarHBondContact OE1-NH2 2.9Å; E821-R854 IonicContact OE2-CZ 2.64Å; E821-R854 IonicContact OE2-NE 2.78Å; E821-R854 IonicContact OE2-NH2 3.19Å; E821-R854 PolarHBondContact OE2-NH2 2.97Å; E850-R854 PolarHBondContact O-N 2.61Å; L851-R854 WeakPolarHBondContact O-CB 3.26Å; L851-R854 PolarHBondContact O-N 2.7Å; I852-R854 VanDerWaalsContact C-N 3.32Å; I852-R854 PolarHBondContact O-N 3.02Å; R854-L856 VanDerWaalsContact C-N 3.3Å; R854-L856 PolarHBondContact O-N 3.43Å; R854-F857 PolarHBondContact O-N 3.29Å; R854-F858 VanDerWaalsContact O-CB 3.28Å; R854-F858 WeakPolarHBondContact O-CB 2.96Å; R854-F858 PolarHBondContact O-N 2.97Å
855	C	87.2	Confident	83.4	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.007	27%	0.269	C	S	.	.	H	α-helix	trans	-57.9	-42.7	176.3	-66.7	0	0	0	0	112.4	L820 L824 F839 L851 I852 F858 L859	L820-C855 WeakPolarHBondContact CD2-SG 3.24Å; L824-C855 HydrophobicContact CD1-CB 3.89Å; F839-C855 HydrophobicContact CE2-CB 3.63Å; F839-C855 HydrophobicContact CZ-CB 3.51Å; L851-C855 PolarHBondContact O-N 2.61Å; L851-C855 PolarHBondContact O-SG 2.87Å; I852-C855 PolarHBondContact O-N 2.81Å; C855-F858 PolarHBondContact O-N 3.32Å; C855-L859 WeakPolarHBondContact O-CB 3.06Å; C855-L859 WeakPolarHBondContact O-CG 3.49Å; C855-L859 PolarHBondContact O-N 2.8Å
856	L	88.1	Confident	83.5	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-62.7	-53.5	-179.8	173.4	73.3	0	0	0	111.3	L836 F839 I852 C853 R854 F858 L859 L860 L880	L836-L856 HydrophobicContact CD2-CD1 3.6Å; F839-L856 HydrophobicContact CD2-CB 4.03Å; F839-L856 HydrophobicContact CD2-CD1 4.17Å; F839-L856 HydrophobicContact CE2-CB 4.34Å; I852-L856 WeakPolarHBondContact O-CB 3.29Å; I852-L856 PolarHBondContact O-N 3.26Å; C853-L856 PolarHBondContact O-N 2.97Å; R854-L856 VanDerWaalsContact C-N 3.3Å; R854-L856 PolarHBondContact O-N 3.43Å; L856-F858 PolarHBondContact O-N 3.13Å; L856-L859 PolarHBondContact O-N 2.83Å; L856-L860 HydrophobicContact CD1-CD1 3.98Å; L856-L860 HydrophobicContact CD1-CG 4.2Å; L856-L860 HydrophobicContact CG-CD1 3.89Å; L856-L860 HydrophobicContact CG-CG 4.42Å; L856-L860 WeakPolarHBondContact O-CB 3.42Å; L856-L860 VanDerWaalsContact O-CG 3.25Å; L856-L860 WeakPolarHBondContact O-CG 3.46Å; L856-L860 PolarHBondContact O-N 3.43Å; L856-L880 HydrophobicContact CD1-CD1 3.82Å; L856-L880 HydrophobicContact CD1-CD2 3.46Å; L856-L880 VanDerWaalsContact CD1-CD2 3.46Å; L856-L880 HydrophobicContact CD1-CG 4.32Å; L856-L880 HydrophobicContact CD2-CD2 3.21Å; L856-L880 HydrophobicContact CG-CD2 3.92Å
857	F	87.2	Confident	83.9	Confident	120 Å²	120	49.1 Å²	49.1	53%	0.526	24%	0.244	S	C	.	.	H	α-helix	trans	-62.4	-36.7	-179.2	-63.7	-36.7	0	0	0	111.2	C853 R854 R861	C853-F857 HydrophobicContact CB-CD2 4.47Å; C853-F857 HydrophobicContact CB-CE2 3.99Å; C853-F857 HydrophobicContact CB-CZ 4.46Å; C853-F857 WeakPolarHBondContact O-CB 3.16Å; C853-F857 WeakPolarHBondContact O-CD2 3.31Å; C853-F857 WeakPolarHBondContact O-CG 3.19Å; C853-F857 PolarHBondContact O-N 3.13Å; R854-F857 PolarHBondContact O-N 3.29Å; F857-R861 WeakPolarHBondContact O-CB 3.36Å; F857-R861 PolarHBondContact O-N 2.84Å
858	F	84.8	Confident	84.4	Confident	9 Å²	9	51.3 Å²	51.3	4%	0.039	26%	0.256	C	S	.	.	H	α-helix	trans	-64.4	-49.7	175.6	-173.3	-100.3	0	0	0	112.5	F745 E821 L824 R854 C855 L856 L860 R861 I862	F745-F858 HydrophobicContact CD1-CE2 4.15Å; F745-F858 HydrophobicContact CD1-CZ 4.47Å; F745-F858 HydrophobicContact CD2-CE2 4.22Å; F745-F858 AromaticContact CE1-CE2 3.61Å; F745-F858 HydrophobicContact CE1-CE2 3.61Å; F745-F858 AromaticContact CE1-CZ 3.98Å; F745-F858 HydrophobicContact CE1-CZ 3.98Å; F745-F858 HydrophobicContact CE2-CD2 4.21Å; F745-F858 AromaticContact CE2-CE2 3.69Å; F745-F858 HydrophobicContact CE2-CE2 3.69Å; F745-F858 HydrophobicContact CG-CE2 4.43Å; F745-F858 HydrophobicContact CZ-CD2 4.04Å; F745-F858 AromaticContact CZ-CE2 3.35Å; F745-F858 HydrophobicContact CZ-CE2 3.35Å; F745-F858 HydrophobicContact CZ-CZ 4.15Å; E821-F858 HydrophobicContact CB-CD1 4.37Å; E821-F858 HydrophobicContact CB-CD2 4.14Å; E821-F858 HydrophobicContact CB-CE1 4.05Å; E821-F858 HydrophobicContact CB-CE2 3.83Å; E821-F858 HydrophobicContact CB-CG 4.4Å; E821-F858 HydrophobicContact CB-CZ 3.75Å; E821-F858 HydrophobicContact CG-CD1 4.42Å; E821-F858 HydrophobicContact CG-CD2 3.94Å; E821-F858 HydrophobicContact CG-CE2 4.14Å; E821-F858 HydrophobicContact CG-CG 4.08Å; E821-F858 HydrophobicContact CG-CZ 4.42Å; E821-F858 WeakPolarHBondContact O-CE1 3.26Å; E821-F858 WeakPolarHBondContact O-CZ 3.42Å; L824-F858 HydrophobicContact CB-CD1 3.87Å; L824-F858 HydrophobicContact CB-CE1 3.83Å; L824-F858 HydrophobicContact CD1-CD1 3.97Å; R854-F858 VanDerWaalsContact O-CB 3.28Å; R854-F858 WeakPolarHBondContact O-CB 2.96Å; R854-F858 PolarHBondContact O-N 2.97Å; C855-F858 PolarHBondContact O-N 3.32Å; L856-F858 PolarHBondContact O-N 3.13Å; F858-L860 PolarHBondContact O-N 3.4Å; F858-R861 PolarHBondContact O-N 2.67Å; F858-I862 HydrophobicContact CD1-CD1 3.69Å; F858-I862 HydrophobicContact CE1-CD1 3.07Å; F858-I862 HydrophobicContact CE1-CG1 4.24Å; F858-I862 HydrophobicContact CE2-CD1 4.12Å; F858-I862 HydrophobicContact CG-CD1 4.43Å; F858-I862 HydrophobicContact CZ-CD1 3.35Å; F858-I862 HydrophobicContact CZ-CG1 4.28Å; F858-I862 PolarHBondContact O-N 3.47Å
859	L	85.9	Confident	84.9	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-40.9	176.6	-78.8	172.8	0	0	0	112.7	L824 V832 I835 F839 C855 L856 R861 I862 H863	L824-L859 HydrophobicContact CB-CD2 4.28Å; L824-L859 HydrophobicContact CD1-CG 4.38Å; L824-L859 HydrophobicContact CD2-CD1 4.26Å; L824-L859 HydrophobicContact CD2-CD2 4.25Å; L824-L859 HydrophobicContact CD2-CG 4.35Å; V832-L859 HydrophobicContact CG2-CD2 4.34Å; I835-L859 HydrophobicContact CB-CD1 4.49Å; I835-L859 HydrophobicContact CG2-CD1 3.68Å; F839-L859 HydrophobicContact CE2-CD1 3.86Å; F839-L859 HydrophobicContact CZ-CD1 4.37Å; C855-L859 WeakPolarHBondContact O-CB 3.06Å; C855-L859 WeakPolarHBondContact O-CG 3.49Å; C855-L859 PolarHBondContact O-N 2.8Å; L856-L859 PolarHBondContact O-N 2.83Å; L859-R861 VanDerWaalsContact C-N 3.32Å; L859-R861 PolarHBondContact O-N 3.06Å; L859-I862 PolarHBondContact O-N 2.93Å; L859-H863 PolarHBondContact O-N 2.88Å
860	L	86.4	Confident	85.1	Confident	50 Å²	50	53.8 Å²	53.8	26%	0.262	28%	0.275	S	S	.	.	H	α-helix	trans	-63.6	-38.5	176.8	-73.6	175	0	0	0	111.6	L856 F858 F864 I867	L856-L860 HydrophobicContact CD1-CD1 3.98Å; L856-L860 HydrophobicContact CD1-CG 4.2Å; L856-L860 HydrophobicContact CG-CD1 3.89Å; L856-L860 HydrophobicContact CG-CG 4.42Å; L856-L860 WeakPolarHBondContact O-CB 3.42Å; L856-L860 VanDerWaalsContact O-CG 3.25Å; L856-L860 WeakPolarHBondContact O-CG 3.46Å; L856-L860 PolarHBondContact O-N 3.43Å; F858-L860 PolarHBondContact O-N 3.4Å; L860-F864 WeakPolarHBondContact O-CA 3.48Å; L860-F864 WeakPolarHBondContact O-CB 3.49Å; L860-F864 PolarHBondContact O-N 3.04Å; L860-I867 HydrophobicContact CD2-CD1 3.91Å
861	R	83.8	Confident	85.2	Confident	124 Å²	124	54.9 Å²	54.9	47%	0.468	28%	0.281	S	S	.	.	H	α-helix	trans	-67.2	-45.7	177.6	-172.7	176.8	63.2	171.9	-1.3	111.7	F857 F858 L859	F857-R861 WeakPolarHBondContact O-CB 3.36Å; F857-R861 PolarHBondContact O-N 2.84Å; F858-R861 PolarHBondContact O-N 2.67Å; L859-R861 VanDerWaalsContact C-N 3.32Å; L859-R861 PolarHBondContact O-N 3.06Å
862	I	82.1	Confident	85	Confident	19 Å²	19	60 Å²	60	10%	0.097	31%	0.305	C	S	.	.	H	α-helix	trans	-65.8	-52.3	-179.2	-69.4	171.3	0	0	0	111.3	L825 F858 L859 F864	L825-I862 HydrophobicContact CB-CD1 4.18Å; L825-I862 HydrophobicContact CD1-CD1 3.67Å; L825-I862 HydrophobicContact CD1-CG1 4.28Å; L825-I862 HydrophobicContact CD1-CG2 4.2Å; F858-I862 HydrophobicContact CD1-CD1 3.69Å; F858-I862 HydrophobicContact CE1-CD1 3.07Å; F858-I862 HydrophobicContact CE1-CG1 4.24Å; F858-I862 HydrophobicContact CE2-CD1 4.12Å; F858-I862 HydrophobicContact CG-CD1 4.43Å; F858-I862 HydrophobicContact CZ-CD1 3.35Å; F858-I862 HydrophobicContact CZ-CG1 4.28Å; F858-I862 PolarHBondContact O-N 3.47Å; L859-I862 PolarHBondContact O-N 2.93Å; I862-F864 VanDerWaalsContact C-N 3.27Å; I862-F864 PolarHBondContact O-N 2.7Å
863	H	83.9	Confident	84.8	Confident	17 Å²	17	59.9 Å²	59.9	8%	0.079	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	19.5	-171.8	-64.2	-75.4	0	0	0	112.6	F829 L859 G865 Q866 I867	F829-H863 HydrophobicContact CD2-CB 4.16Å; F829-H863 AromaticContact CD2-CG 3.92Å; F829-H863 AromaticContact CD2-ND1 3.62Å; F829-H863 HydrophobicContact CE2-CB 4.14Å; L859-H863 PolarHBondContact O-N 2.88Å; H863-G865 VanDerWaalsContact C-N 3.29Å; H863-G865 PolarHBondContact O-N 3.24Å; H863-Q866 PolarHBondContact ND1-OE1 2.85Å; H863-Q866 PolarHBondContact O-N 3.47Å; H863-I867 HydrophobicContact CB-CD1 3.81Å; H863-I867 HydrophobicContact CB-CG1 3.95Å; H863-I867 WeakPolarHBondContact O-CB 3.4Å; H863-I867 VanDerWaalsContact O-CG1 3.27Å; H863-I867 WeakPolarHBondContact O-CG1 3.47Å; H863-I867 PolarHBondContact O-N 3.41Å
864	F	83.7	Confident	84.8	Confident	140 Å²	140	63.5 Å²	63.5	61%	0.614	33%	0.326	S	S	*	.	H	α-helix	trans	-51	-46.2	-175.3	-179	-104.7	0	0	0	112.7	L860 I862 T868	L860-F864 WeakPolarHBondContact O-CA 3.48Å; L860-F864 WeakPolarHBondContact O-CB 3.49Å; L860-F864 PolarHBondContact O-N 3.04Å; I862-F864 VanDerWaalsContact C-N 3.27Å; I862-F864 PolarHBondContact O-N 2.7Å; F864-T868 HydrophobicContact CD2-CG2 4.2Å; F864-T868 HydrophobicContact CE1-CG2 4.18Å; F864-T868 HydrophobicContact CE2-CG2 3.82Å; F864-T868 HydrophobicContact CZ-CG2 3.81Å; F864-T868 WeakPolarHBondContact O-CB 3.3Å; F864-T868 VanDerWaalsContact O-CG2 3.25Å; F864-T868 WeakPolarHBondContact O-CG2 3.36Å; F864-T868 PolarHBondContact O-N 2.78Å; F864-T868 PolarHBondContact O-OG1 3.2Å
865	G	82.9	Confident	84.9	Confident	47 Å²	47	64.6 Å²	64.6	49%	0.485	34%	0.34	S	S	.	.	H	α-helix	trans	-67.2	-35.9	178.6	0	0	0	0	0	114.3	H863 T868 S869	H863-G865 VanDerWaalsContact C-N 3.29Å; H863-G865 PolarHBondContact O-N 3.24Å; G865-T868 WeakPolarHBondContact CA-OG1 3.09Å; G865-T868 PolarHBondContact O-OG1 2.88Å; G865-T868 VanDerWaalsContact O-OG1 3.12Å; G865-S869 PolarHBondContact O-N 3.36Å; G865-S869 PolarHBondContact O-OG 2.9Å
866	Q	83.6	Confident	84.7	Confident	92 Å²	92	65.9 Å²	65.9	43%	0.43	35%	0.347	S	S	.	.	H	α-helix	trans	-78.9	-32.7	179.5	-68.9	176.5	-19.8	0	0	112.1	F829 H863 S869 N870	F829-Q866 HydrophobicContact CD2-CB 3.98Å; F829-Q866 HydrophobicContact CE1-CB 4.35Å; F829-Q866 HydrophobicContact CE2-CB 3.6Å; F829-Q866 HydrophobicContact CG-CB 4.48Å; F829-Q866 VanDerWaalsContact CG-OE1 3.25Å; F829-Q866 HydrophobicContact CZ-CB 3.81Å; H863-Q866 PolarHBondContact ND1-OE1 2.85Å; H863-Q866 PolarHBondContact O-N 3.47Å; Q866-S869 WeakPolarHBondContact CA-OG 3.29Å; Q866-S869 PolarHBondContact O-OG 3.01Å; Q866-N870 PolarHBondContact O-N 2.9Å
867	I	85.1	Confident	84.6	Confident	13 Å²	13	68.3 Å²	68.3	7%	0.067	36%	0.36	C	S	.	.	H	α-helix	trans	-72.6	-43.1	177.3	-67.7	173.8	0	0	0	110.5	F829 L836 L860 H863 S869 N870 L873 I877	F829-I867 HydrophobicContact CE2-CG1 4.1Å; L836-I867 HydrophobicContact CD1-CD1 4.42Å; L860-I867 HydrophobicContact CD2-CD1 3.91Å; H863-I867 HydrophobicContact CB-CD1 3.81Å; H863-I867 HydrophobicContact CB-CG1 3.95Å; H863-I867 WeakPolarHBondContact O-CB 3.4Å; H863-I867 VanDerWaalsContact O-CG1 3.27Å; H863-I867 WeakPolarHBondContact O-CG1 3.47Å; H863-I867 PolarHBondContact O-N 3.41Å; I867-S869 VanDerWaalsContact C-N 3.29Å; I867-S869 PolarHBondContact O-N 2.87Å; I867-N870 PolarHBondContact O-N 2.88Å; I867-L873 HydrophobicContact CG1-CD1 4.26Å; I867-L873 HydrophobicContact CG2-CD1 4.34Å; I867-I877 HydrophobicContact CG2-CD1 3.28Å
868	T	84.3	Confident	84.7	Confident	91 Å²	91	67.9 Å²	67.9	56%	0.558	36%	0.359	S	S	*	.	H	α-helix	trans	-65.9	-30.3	178.9	47.9	0	0	0	0	113.2	F864 G865	F864-T868 HydrophobicContact CD2-CG2 4.2Å; F864-T868 HydrophobicContact CE1-CG2 4.18Å; F864-T868 HydrophobicContact CE2-CG2 3.82Å; F864-T868 HydrophobicContact CZ-CG2 3.81Å; F864-T868 WeakPolarHBondContact O-CB 3.3Å; F864-T868 VanDerWaalsContact O-CG2 3.25Å; F864-T868 WeakPolarHBondContact O-CG2 3.36Å; F864-T868 PolarHBondContact O-N 2.78Å; F864-T868 PolarHBondContact O-OG1 3.2Å; G865-T868 WeakPolarHBondContact CA-OG1 3.09Å; G865-T868 PolarHBondContact O-OG1 2.88Å; G865-T868 VanDerWaalsContact O-OG1 3.12Å
869	S	87	Confident	84.8	Confident	90 Å²	90	73.5 Å²	73.5	63%	0.629	38%	0.384	S	S	*	.	H	α-helix	trans	-76.4	-21.9	175.9	48.9	0	0	0	0	113.8	G865 Q866 I867	G865-S869 PolarHBondContact O-N 3.36Å; G865-S869 PolarHBondContact O-OG 2.9Å; Q866-S869 WeakPolarHBondContact CA-OG 3.29Å; Q866-S869 PolarHBondContact O-OG 3.01Å; I867-S869 VanDerWaalsContact C-N 3.29Å; I867-S869 PolarHBondContact O-N 2.87Å
870	N	86.2	Confident	84.9	Confident	52 Å²	52	73.8 Å²	73.8	28%	0.278	39%	0.385	S	S	.	.			trans	-95.7	104	-176.7	-169.6	-10.5	0	0	0	112.9	Q866 I867 M872 L873	Q866-N870 PolarHBondContact O-N 2.9Å; I867-N870 PolarHBondContact O-N 2.88Å; N870-M872 PolarHBondContact O-N 3.1Å; N870-M872 WeakPolarHBondContact OD1-CB 3.27Å; N870-M872 PolarHBondContact OD1-N 3.16Å; N870-M872 VanDerWaalsContact OD1-N 3.09Å; N870-L873 HydrophobicContact CB-CD1 4.13Å; N870-L873 HydrophobicContact CB-CG 4.39Å; N870-L873 PolarHBondContact O-N 3.27Å
871	Q	83.3	Confident	85	Confident	170 Å²	170	79.5 Å²	79.5	79%	0.794	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-62.7	-24.7	179.8	-65.6	-177	-3.5	0	0	114.1	L873 V874	Q871-L873 PolarHBondContact O-N 3.16Å; Q871-V874 PolarHBondContact O-N 3.48Å
872	M	82.1	Confident	85.3	Confident	154 Å²	154	79.8 Å²	79.8	76%	0.759	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-71.1	-18.5	-178.3	-62	-59.1	-65.9	0	0	113.2	N870	N870-M872 PolarHBondContact O-N 3.1Å; N870-M872 WeakPolarHBondContact OD1-CB 3.27Å; N870-M872 PolarHBondContact OD1-N 3.16Å; N870-M872 VanDerWaalsContact OD1-N 3.09Å
873	L	82.1	Confident	85.5	Confident	6 Å²	6	80.2 Å²	80.2	3%	0.031	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-87.3	-15.3	-179.8	-68.7	176	0	0	0	113.2	F829 P833 I867 N870 Q871 V876 I877	F829-L873 HydrophobicContact CZ-CD1 4.27Å; P833-L873 HydrophobicContact CB-CD2 3.91Å; P833-L873 HydrophobicContact CG-CD2 4.27Å; I867-L873 HydrophobicContact CG1-CD1 4.26Å; I867-L873 HydrophobicContact CG2-CD1 4.34Å; N870-L873 HydrophobicContact CB-CD1 4.13Å; N870-L873 HydrophobicContact CB-CG 4.39Å; N870-L873 PolarHBondContact O-N 3.27Å; Q871-L873 PolarHBondContact O-N 3.16Å; L873-V876 WeakPolarHBondContact O-CB 2.95Å; L873-V876 PolarHBondContact O-N 3.28Å; L873-V876 VanDerWaalsContact O-N 3.09Å; L873-I877 HydrophobicContact CB-CD1 4.19Å; L873-I877 WeakPolarHBondContact O-CG1 3.33Å; L873-I877 PolarHBondContact O-N 2.64Å
874	V	85	Confident	85.6	Confident	84 Å²	84	79.9 Å²	79.9	51%	0.509	41%	0.413	S	S	.	.	H	α-helix	trans	-55.8	-48.7	-176.8	179.4	0	0	0	0	112.4	Q871 V876 I877 E878	Q871-V874 PolarHBondContact O-N 3.48Å; V874-V876 VanDerWaalsContact C-N 3.27Å; V874-V876 PolarHBondContact O-N 3.05Å; V874-I877 PolarHBondContact O-N 3.07Å; V874-E878 PolarHBondContact O-N 3.45Å
875	P	87.6	Confident	85.9	Confident	74 Å²	74	78.1 Å²	78.1	48%	0.481	41%	0.408	S	S	.	.	H	α-helix	trans	-67.3	-27.7	179.6	-19.2	33	0	0	0	113.6	K879	P875-K879 WeakPolarHBondContact O-CG 3.46Å; P875-K879 PolarHBondContact O-N 2.81Å
876	V	83.9	Confident	86.1	Confident	27 Å²	27	78.6 Å²	78.6	16%	0.164	41%	0.405	C	S	.	.	H	α-helix	trans	-71.2	-46	177	179.8	0	0	0	0	109.2	L836 K837 L873 V874 K879 L880	L836-V876 HydrophobicContact CB-CG1 4.29Å; K837-V876 HydrophobicContact CG-CG1 4.22Å; K837-V876 HydrophobicContact CG-CG2 4.47Å; L873-V876 WeakPolarHBondContact O-CB 2.95Å; L873-V876 PolarHBondContact O-N 3.28Å; L873-V876 VanDerWaalsContact O-N 3.09Å; V874-V876 VanDerWaalsContact C-N 3.27Å; V874-V876 PolarHBondContact O-N 3.05Å; V876-K879 PolarHBondContact O-N 2.76Å; V876-L880 VanDerWaalsContact O-CB 3.29Å; V876-L880 WeakPolarHBondContact O-CB 3.37Å; V876-L880 PolarHBondContact O-N 2.84Å
877	I	86.3	Confident	86.3	Confident	55 Å²	55	76.9 Å²	76.9	28%	0.282	40%	0.396	S	S	.	.	H	α-helix	trans	-65.4	-39.1	179.6	-66.7	166.7	0	0	0	111.6	I867 L873 V874 L880 R881	I867-I877 HydrophobicContact CG2-CD1 3.28Å; L873-I877 HydrophobicContact CB-CD1 4.19Å; L873-I877 WeakPolarHBondContact O-CG1 3.33Å; L873-I877 PolarHBondContact O-N 2.64Å; V874-I877 PolarHBondContact O-N 3.07Å; I877-L880 PolarHBondContact O-N 3Å; I877-R881 WeakPolarHBondContact O-CB 3.29Å; I877-R881 PolarHBondContact O-N 2.76Å
878	E	88.3	Confident	86.4	Confident	111 Å²	111	79.4 Å²	79.4	52%	0.519	41%	0.412	S	S	.	.	H	α-helix	trans	-63	-45.8	178.1	-170.7	160.8	-151.6	0	0	111.7	V874 L880 R881 E882	V874-E878 PolarHBondContact O-N 3.45Å; E878-L880 VanDerWaalsContact C-N 3.31Å; E878-L880 PolarHBondContact O-N 3.21Å; E878-R881 WeakPolarHBondContact O-CB 3.18Å; E878-R881 PolarHBondContact O-N 2.83Å; E878-E882 PolarHBondContact O-N 3.5Å; E878-E882 VanDerWaalsContact O-N 3.13Å
879	K	86.9	Confident	86.6	Confident	127 Å²	127	76.8 Å²	76.8	55%	0.552	40%	0.397	S	S	*	.	H	α-helix	trans	-61	-40.2	172.2	-72.1	177.8	-179.7	-178.2	0	112.5	P875 V876 R881 E882 T883	P875-K879 WeakPolarHBondContact O-CG 3.46Å; P875-K879 PolarHBondContact O-N 2.81Å; V876-K879 PolarHBondContact O-N 2.76Å; K879-R881 VanDerWaalsContact C-N 3.34Å; K879-E882 PolarHBondContact O-N 2.79Å; K879-T883 WeakPolarHBondContact O-CB 3.25Å; K879-T883 WeakPolarHBondContact O-CG2 3.34Å; K879-T883 PolarHBondContact O-N 2.85Å; K879-T883 VanDerWaalsContact O-N 3.09Å; K879-T883 PolarHBondContact O-OG1 3.31Å
880	L	87.4	Confident	86.7	Confident	7 Å²	7	77 Å²	77	4%	0.037	39%	0.388	C	S	.	.	H	α-helix	trans	-67.7	-37.6	-179.4	-147.9	157.6	0	0	0	110.9	L836 N840 I843 L856 V876 I877 E878 T883 T884	L836-L880 HydrophobicContact CB-CD1 4.33Å; L836-L880 HydrophobicContact CD2-CD1 4.22Å; L836-L880 WeakPolarHBondContact O-CD1 3.38Å; N840-L880 HydrophobicContact CB-CD1 4.35Å; N840-L880 HydrophobicContact CB-CG 4.25Å; I843-L880 HydrophobicContact CD1-CD2 4.25Å; L856-L880 HydrophobicContact CD1-CD1 3.82Å; L856-L880 HydrophobicContact CD1-CD2 3.46Å; L856-L880 VanDerWaalsContact CD1-CD2 3.46Å; L856-L880 HydrophobicContact CD1-CG 4.32Å; L856-L880 HydrophobicContact CD2-CD2 3.21Å; L856-L880 HydrophobicContact CG-CD2 3.92Å; V876-L880 VanDerWaalsContact O-CB 3.29Å; V876-L880 WeakPolarHBondContact O-CB 3.37Å; V876-L880 PolarHBondContact O-N 2.84Å; I877-L880 PolarHBondContact O-N 3Å; E878-L880 VanDerWaalsContact C-N 3.31Å; E878-L880 PolarHBondContact O-N 3.21Å; L880-T883 WeakPolarHBondContact CA-OG1 3.19Å; L880-T883 PolarHBondContact O-OG1 2.97Å; L880-T884 WeakPolarHBondContact CD2-OG1 2.99Å; L880-T884 WeakPolarHBondContact O-CB 3.17Å; L880-T884 PolarHBondContact O-N 2.96Å; L880-T884 PolarHBondContact O-OG1 2.76Å
881	R	88.7	Confident	86.7	Confident	170 Å²	170	76.9 Å²	76.9	64%	0.642	39%	0.389	S	S	*	.	H	α-helix	trans	-61.6	-51	173.8	178.5	-174.8	174.6	-146.3	-0.2	111.7	I877 E878 K879 T884 I885	I877-R881 WeakPolarHBondContact O-CB 3.29Å; I877-R881 PolarHBondContact O-N 2.76Å; E878-R881 WeakPolarHBondContact O-CB 3.18Å; E878-R881 PolarHBondContact O-N 2.83Å; K879-R881 VanDerWaalsContact C-N 3.34Å; R881-T884 PolarHBondContact O-N 2.93Å; R881-I885 HydrophobicContact CG-CD1 3.73Å; R881-I885 WeakPolarHBondContact O-CB 3.14Å; R881-I885 VanDerWaalsContact O-CG1 3.24Å; R881-I885 WeakPolarHBondContact O-CG1 3.31Å; R881-I885 PolarHBondContact O-N 3.24Å
882	E	89.8	Confident	87	Confident	130 Å²	130	76.4 Å²	76.4	61%	0.607	38%	0.38	S	S	*	.	H	α-helix	trans	-60.5	-47.4	-179.5	-70.7	-178.6	167.6	0	0	112	E878 K879 S886	E878-E882 PolarHBondContact O-N 3.5Å; E878-E882 VanDerWaalsContact O-N 3.13Å; K879-E882 PolarHBondContact O-N 2.79Å; E882-S886 WeakPolarHBondContact O-CB 3.25Å; E882-S886 PolarHBondContact O-N 3.15Å; E882-S886 VanDerWaalsContact O-N 3.09Å
883	T	87.2	Confident	87.5	Confident	27 Å²	27	73.4 Å²	73.4	17%	0.166	37%	0.367	C	S	.	.	H	α-helix	trans	-65.8	-44.1	-179.8	50	0	0	0	0	112.1	N840 Q844 K879 L880 S886 K887	N840-T883 PolarHBondContact OD1-OG1 3.38Å; Q844-T883 HydrophobicContact CG-CG2 3.83Å; K879-T883 WeakPolarHBondContact O-CB 3.25Å; K879-T883 WeakPolarHBondContact O-CG2 3.34Å; K879-T883 PolarHBondContact O-N 2.85Å; K879-T883 VanDerWaalsContact O-N 3.09Å; K879-T883 PolarHBondContact O-OG1 3.31Å; L880-T883 WeakPolarHBondContact CA-OG1 3.19Å; L880-T883 PolarHBondContact O-OG1 2.97Å; T883-S886 PolarHBondContact O-N 3.06Å; T883-K887 WeakPolarHBondContact O-CB 3.31Å; T883-K887 PolarHBondContact O-N 3.4Å
884	T	86.6	Confident	87.8	Confident	10 Å²	10	77.2 Å²	77.2	6%	0.061	39%	0.391	C	S	.	.	H	α-helix	trans	-62.9	-47	178.5	-55.8	0	0	0	0	111.2	L880 R881 S886 K887 V888	L880-T884 WeakPolarHBondContact CD2-OG1 2.99Å; L880-T884 WeakPolarHBondContact O-CB 3.17Å; L880-T884 PolarHBondContact O-N 2.96Å; L880-T884 PolarHBondContact O-OG1 2.76Å; R881-T884 PolarHBondContact O-N 2.93Å; T884-S886 VanDerWaalsContact C-N 3.34Å; T884-S886 PolarHBondContact O-N 2.78Å; T884-K887 PolarHBondContact O-N 2.63Å; T884-V888 HydrophobicContact CG2-CG2 3.89Å; T884-V888 VanDerWaalsContact O-CB 3.29Å; T884-V888 WeakPolarHBondContact O-CB 3.47Å; T884-V888 VanDerWaalsContact O-CG2 3.23Å; T884-V888 WeakPolarHBondContact O-CG2 3.39Å; T884-V888 PolarHBondContact O-N 2.9Å
885	I	88.9	Confident	88	Confident	103 Å²	103	77.3 Å²	77.3	53%	0.528	39%	0.387	S	S	.	.	H	α-helix	trans	-61.2	-44.6	179.5	-69	168.2	0	0	0	110.7	R881 K887 S889	R881-I885 HydrophobicContact CG-CD1 3.73Å; R881-I885 WeakPolarHBondContact O-CB 3.14Å; R881-I885 VanDerWaalsContact O-CG1 3.24Å; R881-I885 WeakPolarHBondContact O-CG1 3.31Å; R881-I885 PolarHBondContact O-N 3.24Å; I885-K887 VanDerWaalsContact C-N 3.32Å; I885-K887 PolarHBondContact O-N 2.88Å; I885-S889 WeakPolarHBondContact O-CB 3.19Å; I885-S889 PolarHBondContact O-N 2.87Å; I885-S889 PolarHBondContact O-OG 2.84Å; I885-S889 VanDerWaalsContact O-OG 3.12Å
886	S	88.8	Confident	88.3	Confident	58 Å²	58	75.7 Å²	75.7	41%	0.406	38%	0.384	S	S	.	.	H	α-helix	trans	-65.2	-33.1	179.6	-178.5	0	0	0	0	113.2	E882 T883 T884 S889 Q890	E882-S886 WeakPolarHBondContact O-CB 3.25Å; E882-S886 PolarHBondContact O-N 3.15Å; E882-S886 VanDerWaalsContact O-N 3.09Å; T883-S886 PolarHBondContact O-N 3.06Å; T884-S886 VanDerWaalsContact C-N 3.34Å; T884-S886 PolarHBondContact O-N 2.78Å; S886-S889 PolarHBondContact O-OG 2.91Å; S886-Q890 VanDerWaalsContact O-CG 3.32Å; S886-Q890 WeakPolarHBondContact O-CG 3.47Å; S886-Q890 PolarHBondContact O-N 3.16Å
887	K	86.8	Confident	88.8	Confident	55 Å²	55	81.9 Å²	81.9	24%	0.239	41%	0.409	C	S	.	.	H	α-helix	trans	-86.4	-39.3	-178.4	-74.7	-70.2	179	-173.3	0	112.5	I843 V849 T883 T884 I885 S889 Q890 V891	I843-K887 HydrophobicContact CG2-CB 4.07Å; I843-K887 HydrophobicContact CG2-CG 3.94Å; V849-K887 HydrophobicContact CG1-CB 4.44Å; T883-K887 WeakPolarHBondContact O-CB 3.31Å; T883-K887 PolarHBondContact O-N 3.4Å; T884-K887 PolarHBondContact O-N 2.63Å; I885-K887 VanDerWaalsContact C-N 3.32Å; I885-K887 PolarHBondContact O-N 2.88Å; K887-S889 VanDerWaalsContact C-N 3.28Å; K887-S889 PolarHBondContact O-N 3.14Å; K887-Q890 WeakPolarHBondContact O-CB 3.43Å; K887-Q890 PolarHBondContact O-N 2.9Å; K887-V891 WeakPolarHBondContact O-CG2 3.36Å; K887-V891 PolarHBondContact O-N 2.87Å
888	V	87.3	Confident	89.1	Confident	66 Å²	66	83.5 Å²	83.5	40%	0.4	42%	0.418	S	S	.	.	H	α-helix	trans	-63.4	-37	173.1	173.2	0	0	0	0	110.6	V849 T884 V891 R892	V849-V888 HydrophobicContact CG1-CG2 4.44Å; T884-V888 HydrophobicContact CG2-CG2 3.89Å; T884-V888 VanDerWaalsContact O-CB 3.29Å; T884-V888 WeakPolarHBondContact O-CB 3.47Å; T884-V888 VanDerWaalsContact O-CG2 3.23Å; T884-V888 WeakPolarHBondContact O-CG2 3.39Å; T884-V888 PolarHBondContact O-N 2.9Å; V888-V891 PolarHBondContact O-N 3.48Å; V888-R892 VanDerWaalsContact O-CB 3.23Å; V888-R892 WeakPolarHBondContact O-CB 3.42Å; V888-R892 PolarHBondContact O-N 3.24Å
889	S	88.9	Confident	89.3	Confident	37 Å²	37	82.9 Å²	82.9	26%	0.259	42%	0.417	S	S	.	.	H	α-helix	trans	-63.4	-42.7	173.2	64.9	0	0	0	0	112.1	I885 S886 K887 V891 R892 D893	I885-S889 WeakPolarHBondContact O-CB 3.19Å; I885-S889 PolarHBondContact O-N 2.87Å; I885-S889 PolarHBondContact O-OG 2.84Å; I885-S889 VanDerWaalsContact O-OG 3.12Å; S886-S889 PolarHBondContact O-OG 2.91Å; K887-S889 VanDerWaalsContact C-N 3.28Å; K887-S889 PolarHBondContact O-N 3.14Å; S889-V891 PolarHBondContact O-N 2.86Å; S889-R892 PolarHBondContact O-N 3.14Å; S889-D893 WeakPolarHBondContact O-CB 3.35Å; S889-D893 PolarHBondContact O-N 3.1Å
890	Q	88.5	Confident	89.5	Confident	93 Å²	93	79.8 Å²	79.8	44%	0.435	42%	0.415	S	S	.	.	H	α-helix	trans	-58.4	-47.7	174.3	-74.2	172.5	10	0	0	111.8	S886 K887 D893 V894	S886-Q890 VanDerWaalsContact O-CG 3.32Å; S886-Q890 WeakPolarHBondContact O-CG 3.47Å; S886-Q890 PolarHBondContact O-N 3.16Å; K887-Q890 WeakPolarHBondContact O-CB 3.43Å; K887-Q890 PolarHBondContact O-N 2.9Å; Q890-D893 PolarHBondContact O-N 2.78Å; Q890-V894 WeakPolarHBondContact O-CG2 3.22Å; Q890-V894 PolarHBondContact O-N 3Å; Q890-V894 VanDerWaalsContact O-N 3.08Å
891	V	85.8	Confident	89.8	Confident	50 Å²	50	81 Å²	81	30%	0.303	43%	0.429	S	S	.	.	H	α-helix	trans	-63.5	-45.1	178.1	174.3	0	0	0	0	110.9	K887 V888 S889 D893 V894 I895	K887-V891 WeakPolarHBondContact O-CG2 3.36Å; K887-V891 PolarHBondContact O-N 2.87Å; V888-V891 PolarHBondContact O-N 3.48Å; S889-V891 PolarHBondContact O-N 2.86Å; V891-D893 VanDerWaalsContact C-N 3.33Å; V891-D893 PolarHBondContact O-N 2.9Å; V891-V894 PolarHBondContact O-N 2.82Å; V891-I895 HydrophobicContact CG1-CD1 3.77Å; V891-I895 HydrophobicContact CG1-CG1 4.39Å; V891-I895 WeakPolarHBondContact O-CG1 3.34Å; V891-I895 PolarHBondContact O-N 3.05Å
892	R	89.8	Confident	89.9	Confident	160 Å²	160	77.9 Å²	77.9	60%	0.604	42%	0.424	S	S	*	.	H	α-helix	trans	-59.1	-43.4	177	-176.2	-163.5	68	-175.3	-1.3	111.9	V888 S889 V894 I895 G896	V888-R892 VanDerWaalsContact O-CB 3.23Å; V888-R892 WeakPolarHBondContact O-CB 3.42Å; V888-R892 PolarHBondContact O-N 3.24Å; S889-R892 PolarHBondContact O-N 3.14Å; R892-V894 VanDerWaalsContact C-N 3.33Å; R892-I895 PolarHBondContact O-N 2.9Å; R892-G896 PolarHBondContact O-N 3.46Å
893	D	92.6	Very high	90	Very high	92 Å²	92	75.2 Å²	75.2	49%	0.492	41%	0.414	S	S	.	.	H	α-helix	trans	-68.6	-35.4	-178.6	-64.3	-9.9	0	0	0	110.8	S889 Q890 V891 G896 F897	S889-D893 WeakPolarHBondContact O-CB 3.35Å; S889-D893 PolarHBondContact O-N 3.1Å; Q890-D893 PolarHBondContact O-N 2.78Å; V891-D893 VanDerWaalsContact C-N 3.33Å; V891-D893 PolarHBondContact O-N 2.9Å; D893-G896 PolarHBondContact O-N 2.8Å; D893-F897 WeakPolarHBondContact O-CB 3.21Å; D893-F897 PolarHBondContact O-N 2.92Å
894	V	89.6	Confident	90.2	Very high	86 Å²	86	81.4 Å²	81.4	52%	0.521	44%	0.435	S	S	.	.	H	α-helix	trans	-64.9	-46.1	171.4	172.4	0	0	0	0	111.5	Q890 V891 R892 G896 F897 N898	Q890-V894 WeakPolarHBondContact O-CG2 3.22Å; Q890-V894 PolarHBondContact O-N 3Å; Q890-V894 VanDerWaalsContact O-N 3.08Å; V891-V894 PolarHBondContact O-N 2.82Å; R892-V894 VanDerWaalsContact C-N 3.33Å; V894-G896 VanDerWaalsContact C-N 3.34Å; V894-G896 PolarHBondContact O-N 3.07Å; V894-F897 PolarHBondContact O-N 2.8Å; V894-N898 VanDerWaalsContact O-CG 3.27Å; V894-N898 PolarHBondContact O-N 3.44Å
895	I	88.8	Confident	90.3	Very high	85 Å²	85	85.2 Å²	85.2	44%	0.436	46%	0.455	S	S	.	.	H	α-helix	trans	-62.8	-43.3	176.5	-66.9	168.9	0	0	0	110.4	V891 R892 F897 N898 M899	V891-I895 HydrophobicContact CG1-CD1 3.77Å; V891-I895 HydrophobicContact CG1-CG1 4.39Å; V891-I895 WeakPolarHBondContact O-CG1 3.34Å; V891-I895 PolarHBondContact O-N 3.05Å; R892-I895 PolarHBondContact O-N 2.9Å; I895-F897 VanDerWaalsContact C-N 3.32Å; I895-F897 PolarHBondContact O-N 2.84Å; I895-N898 PolarHBondContact O-N 2.91Å; I895-M899 HydrophobicContact CG2-CG 4.19Å; I895-M899 WeakPolarHBondContact O-CB 3.46Å; I895-M899 WeakPolarHBondContact O-CG 3.15Å; I895-M899 PolarHBondContact O-N 3.35Å
896	G	93.8	Very high	90.4	Very high	40 Å²	40	86 Å²	86	41%	0.412	46%	0.455	S	S	.	.	H	α-helix	trans	-60.6	-41.5	177.5	0	0	0	0	0	112.2	R892 D893 V894 A900	R892-G896 PolarHBondContact O-N 3.46Å; D893-G896 PolarHBondContact O-N 2.8Å; V894-G896 VanDerWaalsContact C-N 3.34Å; V894-G896 PolarHBondContact O-N 3.07Å; G896-A900 WeakPolarHBondContact O-CB 3.31Å; G896-A900 PolarHBondContact O-N 3.03Å
897	F	94.3	Very high	90.3	Very high	158 Å²	158	91.5 Å²	91.5	69%	0.693	47%	0.467	S	S	*	.	H	α-helix	trans	-63.1	-45.4	173.4	-175.8	-95.6	0	0	0	112	D893 V894 I895 A900 G901	D893-F897 WeakPolarHBondContact O-CB 3.21Å; D893-F897 PolarHBondContact O-N 2.92Å; V894-F897 PolarHBondContact O-N 2.8Å; I895-F897 VanDerWaalsContact C-N 3.32Å; I895-F897 PolarHBondContact O-N 2.84Å; F897-A900 PolarHBondContact O-N 2.98Å; F897-G901 PolarHBondContact O-N 2.83Å
898	N	93.4	Very high	90.4	Very high	88 Å²	88	92.4 Å²	92.4	47%	0.471	47%	0.472	S	S	.	.	H	α-helix	trans	-65.1	-42.3	179	-70.2	-14.2	0	0	0	112.3	V894 I895 G901 L902	V894-N898 VanDerWaalsContact O-CG 3.27Å; V894-N898 PolarHBondContact O-N 3.44Å; I895-N898 PolarHBondContact O-N 2.91Å; N898-G901 CarbonylContact O-C 3.6Å; N898-G901 PolarHBondContact O-N 2.83Å; N898-L902 WeakPolarHBondContact O-CG 3.13Å; N898-L902 PolarHBondContact O-N 3.4Å
899	M	91.1	Very high	90	Very high	99 Å²	99	93 Å²	93	49%	0.488	48%	0.478	S	S	.	.	H	α-helix	trans	-63.5	-44.6	176.5	-77.4	-61.8	-62.4	0	0	111.5	I895 G901 L902 D903	I895-M899 HydrophobicContact CG2-CG 4.19Å; I895-M899 WeakPolarHBondContact O-CB 3.46Å; I895-M899 WeakPolarHBondContact O-CG 3.15Å; I895-M899 PolarHBondContact O-N 3.35Å; M899-G901 VanDerWaalsContact C-N 3.26Å; M899-G901 PolarHBondContact O-N 3.29Å; M899-L902 PolarHBondContact O-N 2.88Å; M899-L902 HydrophobicContact SD-CD1 4.45Å; M899-D903 WeakPolarHBondContact O-CB 3.3Å; M899-D903 PolarHBondContact O-N 2.64Å
900	A	91.7	Very high	89.7	Confident	62 Å²	62	95.3 Å²	95.3	51%	0.512	49%	0.485	S	S	.	.	H	α-helix	trans	-61.3	-37.5	174.1	0	0	0	0	0	111.9	G896 F897 Y904	G896-A900 WeakPolarHBondContact O-CB 3.31Å; G896-A900 PolarHBondContact O-N 3.03Å; F897-A900 PolarHBondContact O-N 2.98Å; A900-Y904 WeakPolarHBondContact O-CB 3.29Å; A900-Y904 PolarHBondContact O-N 3.27Å
901	G	93.5	Very high	89.4	Confident	32 Å²	32	93.3 Å²	93.3	33%	0.33	48%	0.484	S	S	.	.	H	α-helix	trans	-65.1	-42.5	173.1	0	0	0	0	0	113.3	F897 N898 M899 Y904 L905	F897-G901 PolarHBondContact O-N 2.83Å; N898-G901 CarbonylContact O-C 3.6Å; N898-G901 PolarHBondContact O-N 2.83Å; M899-G901 VanDerWaalsContact C-N 3.26Å; M899-G901 PolarHBondContact O-N 3.29Å; G901-Y904 WeakPolarHBondContact O-CB 3.42Å; G901-Y904 PolarHBondContact O-N 3.35Å; G901-L905 WeakPolarHBondContact O-CG 3.45Å; G901-L905 PolarHBondContact O-N 3.18Å
902	L	91.1	Very high	89	Confident	105 Å²	105	96.8 Å²	96.8	55%	0.55	50%	0.495	S	S	.	.	H	α-helix	trans	-67.7	-40.4	176.4	-74.8	172.4	0	0	0	112.1	N898 M899 Y904 L905 K906	N898-L902 WeakPolarHBondContact O-CG 3.13Å; N898-L902 PolarHBondContact O-N 3.4Å; M899-L902 PolarHBondContact O-N 2.88Å; M899-L902 HydrophobicContact SD-CD1 4.45Å; L902-Y904 VanDerWaalsContact C-N 3.3Å; L902-Y904 PolarHBondContact O-N 2.78Å; L902-L905 CarbonylContact O-C 3.56Å; L902-L905 PolarHBondContact O-N 3.35Å; L902-K906 VanDerWaalsContact O-CB 3.29Å; L902-K906 WeakPolarHBondContact O-CB 3.35Å; L902-K906 PolarHBondContact O-N 3.19Å
903	D	90.8	Very high	88	Confident	73 Å²	73	92.4 Å²	92.4	39%	0.39	49%	0.489	S	S	.	.	H	α-helix	trans	-63.5	-38.8	174.3	-84.4	-14.7	0	0	0	111.4	M899 K906 R907	M899-D903 WeakPolarHBondContact O-CB 3.3Å; M899-D903 PolarHBondContact O-N 2.64Å; D903-K906 PolarHBondContact O-N 3.3Å; D903-R907 WeakPolarHBondContact O-CB 3.41Å; D903-R907 VanDerWaalsContact O-CG 3.32Å; D903-R907 WeakPolarHBondContact O-CG 3.31Å; D903-R907 PolarHBondContact O-N 2.88Å
904	Y	92.4	Very high	86.7	Confident	157 Å²	157	93.5 Å²	93.5	62%	0.616	49%	0.491	S	S	*	.	H	α-helix	trans	-61.2	-48.1	172.5	179.2	-96	0	0	0	111.4	A900 G901 L902 K906 R907 E908	A900-Y904 WeakPolarHBondContact O-CB 3.29Å; A900-Y904 PolarHBondContact O-N 3.27Å; G901-Y904 WeakPolarHBondContact O-CB 3.42Å; G901-Y904 PolarHBondContact O-N 3.35Å; L902-Y904 VanDerWaalsContact C-N 3.3Å; L902-Y904 PolarHBondContact O-N 2.78Å; Y904-K906 VanDerWaalsContact C-N 3.33Å; Y904-K906 PolarHBondContact O-N 3.28Å; Y904-R907 PolarHBondContact O-N 2.88Å; Y904-E908 PolarHBondContact O-N 3.44Å
905	L	89.6	Confident	85.3	Confident	90 Å²	90	94.3 Å²	94.3	47%	0.471	50%	0.496	S	S	.	.	H	α-helix	trans	-63.8	-37.6	176.5	-73.2	170.8	0	0	0	112.5	G901 L902 E908 C909	G901-L905 WeakPolarHBondContact O-CG 3.45Å; G901-L905 PolarHBondContact O-N 3.18Å; L902-L905 CarbonylContact O-C 3.56Å; L902-L905 PolarHBondContact O-N 3.35Å; L905-E908 PolarHBondContact O-N 2.92Å; L905-C909 WeakPolarHBondContact O-CB 3.41Å; L905-C909 PolarHBondContact O-N 2.76Å; L905-C909 PolarHBondContact O-SG 3.11Å; L905-C909 VanDerWaalsContact O-SG 3.33Å
906	K	89.3	Confident	83.8	Confident	120 Å²	120	96 Å²	96	52%	0.522	50%	0.504	S	S	.	.	H	α-helix	trans	-63	-48.6	176.2	-179.2	179.3	171.9	-176.9	0	110.4	L902 D903 Y904 E908 C909 E910	L902-K906 VanDerWaalsContact O-CB 3.29Å; L902-K906 WeakPolarHBondContact O-CB 3.35Å; L902-K906 PolarHBondContact O-N 3.19Å; D903-K906 PolarHBondContact O-N 3.3Å; Y904-K906 VanDerWaalsContact C-N 3.33Å; Y904-K906 PolarHBondContact O-N 3.28Å; K906-E908 VanDerWaalsContact C-N 3.26Å; K906-E908 PolarHBondContact O-N 3.14Å; K906-C909 CarbonylContact O-C 3.32Å; K906-C909 WeakPolarHBondContact O-CB 3.47Å; K906-C909 PolarHBondContact O-N 2.89Å; K906-C909 VanDerWaalsContact O-N 3.13Å; K906-E910 WeakPolarHBondContact CE-OE1 3.38Å; K906-E910 HydrophobicContact CG-CG 4.47Å; K906-E910 WeakPolarHBondContact O-CB 3.39Å; K906-E910 WeakPolarHBondContact O-CG 3.22Å; K906-E910 PolarHBondContact O-N 2.72Å
907	R	88.4	Confident	81.9	Confident	174 Å²	174	101.8 Å²	101.8	66%	0.657	52%	0.517	S	S	*	.	H	α-helix	trans	-59.5	-38	174.5	-72.9	176.3	-171.4	166.5	6	111.9	D903 Y904 E910 A911	D903-R907 WeakPolarHBondContact O-CB 3.41Å; D903-R907 VanDerWaalsContact O-CG 3.32Å; D903-R907 WeakPolarHBondContact O-CG 3.31Å; D903-R907 PolarHBondContact O-N 2.88Å; Y904-R907 PolarHBondContact O-N 2.88Å; R907-E910 PolarHBondContact O-N 2.93Å; R907-A911 VanDerWaalsContact O-CB 3.29Å; R907-A911 WeakPolarHBondContact O-CB 3.37Å; R907-A911 PolarHBondContact O-N 2.88Å
908	E	87.5	Confident	79.9	Confident	73 Å²	73	101.1 Å²	101.1	34%	0.341	52%	0.515	S	S	.	.	H	α-helix	trans	-67.2	-39.8	176.1	-155.2	-164	147.8	0	0	111.9	Y904 L905 K906 K912	Y904-E908 PolarHBondContact O-N 3.44Å; L905-E908 PolarHBondContact O-N 2.92Å; K906-E908 VanDerWaalsContact C-N 3.26Å; K906-E908 PolarHBondContact O-N 3.14Å; E908-K912 WeakPolarHBondContact O-CB 3.26Å; E908-K912 VanDerWaalsContact O-CG 3.29Å; E908-K912 WeakPolarHBondContact O-CG 3.28Å; E908-K912 PolarHBondContact O-N 2.86Å; E908-K912 VanDerWaalsContact OE1-CE 3.29Å; E908-K912 WeakPolarHBondContact OE1-CE 3.35Å; E908-K912 IonicContact OE1-NZ 2.76Å; E908-K912 PolarHBondContact OE1-NZ 2.81Å
909	C	80.1	Confident	78.2	Confident	78 Å²	78	99.3 Å²	99.3	53%	0.527	51%	0.512	S	S	.	.	H	α-helix	trans	-67.7	-40.3	174.4	-75.8	0	0	0	0	112.6	L905 K906 K912 S913	L905-C909 WeakPolarHBondContact O-CB 3.41Å; L905-C909 PolarHBondContact O-N 2.76Å; L905-C909 PolarHBondContact O-SG 3.11Å; L905-C909 VanDerWaalsContact O-SG 3.33Å; K906-C909 CarbonylContact O-C 3.32Å; K906-C909 WeakPolarHBondContact O-CB 3.47Å; K906-C909 PolarHBondContact O-N 2.89Å; K906-C909 VanDerWaalsContact O-N 3.13Å; C909-K912 PolarHBondContact O-N 2.85Å; C909-S913 WeakPolarHBondContact O-CB 3.43Å; C909-S913 PolarHBondContact O-N 2.84Å; C909-S913 PolarHBondContact O-OG 3.12Å
910	E	82.4	Confident	76.5	Confident	87 Å²	87	99.1 Å²	99.1	41%	0.407	51%	0.513	S	S	.	.	H	α-helix	trans	-64.6	-44.4	173.9	-74.8	172.2	172.6	0	0	110.9	K906 R907 K912 S913 E914	K906-E910 WeakPolarHBondContact CE-OE1 3.38Å; K906-E910 HydrophobicContact CG-CG 4.47Å; K906-E910 WeakPolarHBondContact O-CB 3.39Å; K906-E910 WeakPolarHBondContact O-CG 3.22Å; K906-E910 PolarHBondContact O-N 2.72Å; R907-E910 PolarHBondContact O-N 2.93Å; E910-K912 VanDerWaalsContact C-N 3.31Å; E910-K912 PolarHBondContact O-N 2.9Å; E910-S913 WeakPolarHBondContact CA-OG 3.2Å; E910-S913 PolarHBondContact O-N 2.98Å; E910-S913 VanDerWaalsContact O-N 3.16Å; E910-S913 PolarHBondContact O-OG 3.24Å; E910-E914 WeakPolarHBondContact O-CB 3.41Å; E910-E914 WeakPolarHBondContact O-CG 3.38Å; E910-E914 PolarHBondContact O-N 3.3Å
911	A	80.7	Confident	74.7	Confident	51 Å²	51	98.4 Å²	98.4	42%	0.421	51%	0.507	S	S	.	.	H	α-helix	trans	-60.5	-40.8	173.8	0	0	0	0	0	111.8	R907 V915	R907-A911 VanDerWaalsContact O-CB 3.29Å; R907-A911 WeakPolarHBondContact O-CB 3.37Å; R907-A911 PolarHBondContact O-N 2.88Å; A911-V915 WeakPolarHBondContact O-CG2 3.4Å; A911-V915 PolarHBondContact O-N 3.46Å; A911-V915 VanDerWaalsContact O-N 3.16Å
912	K	77.2	Confident	73	Confident	122 Å²	122	100.9 Å²	100.9	53%	0.53	52%	0.515	S	S	.	.	H	α-helix	trans	-66.9	-38.6	174.7	-74.9	171.6	-172.9	165.6	0	112.4	E908 C909 E910 M916	E908-K912 WeakPolarHBondContact O-CB 3.26Å; E908-K912 VanDerWaalsContact O-CG 3.29Å; E908-K912 WeakPolarHBondContact O-CG 3.28Å; E908-K912 PolarHBondContact O-N 2.86Å; E908-K912 VanDerWaalsContact OE1-CE 3.29Å; E908-K912 WeakPolarHBondContact OE1-CE 3.35Å; E908-K912 IonicContact OE1-NZ 2.76Å; E908-K912 PolarHBondContact OE1-NZ 2.81Å; C909-K912 PolarHBondContact O-N 2.85Å; E910-K912 VanDerWaalsContact C-N 3.31Å; E910-K912 PolarHBondContact O-N 2.9Å; K912-M916 WeakPolarHBondContact O-CG 3.39Å; K912-M916 PolarHBondContact O-N 2.92Å; K912-M916 VanDerWaalsContact O-N 3.14Å
913	S	69.8	Low	71.3	Confident	68 Å²	68	98.4 Å²	98.4	48%	0.476	51%	0.507	S	S	.	.	H	α-helix	trans	-76	-35.7	-178.8	72.9	0	0	0	0	112.4	C909 E910 M916 F917	C909-S913 WeakPolarHBondContact O-CB 3.43Å; C909-S913 PolarHBondContact O-N 2.84Å; C909-S913 PolarHBondContact O-OG 3.12Å; E910-S913 WeakPolarHBondContact CA-OG 3.2Å; E910-S913 PolarHBondContact O-N 2.98Å; E910-S913 VanDerWaalsContact O-N 3.16Å; E910-S913 PolarHBondContact O-OG 3.24Å; S913-M916 CarbonylContact O-C 3.54Å; S913-M916 WeakPolarHBondContact O-CB 3.48Å; S913-M916 PolarHBondContact O-N 2.91Å; S913-F917 WeakPolarHBondContact O-CB 3.07Å; S913-F917 PolarHBondContact O-N 3.05Å
914	E	65.1	Low	69.8	Low	116 Å²	116	100.9 Å²	100.9	54%	0.542	52%	0.516	S	S	.	.	H	α-helix	trans	-60.3	-45.4	169.8	-77	-177	176.5	0	0	110.6	E910 M916 F917 F918	E910-E914 WeakPolarHBondContact O-CB 3.41Å; E910-E914 WeakPolarHBondContact O-CG 3.38Å; E910-E914 PolarHBondContact O-N 3.3Å; E914-M916 VanDerWaalsContact C-N 3.27Å; E914-M916 PolarHBondContact O-N 3.15Å; E914-F917 CarbonylContact O-C 3.55Å; E914-F917 PolarHBondContact O-N 2.71Å; E914-F918 HydrophobicContact CB-CD2 4.47Å; E914-F918 HydrophobicContact CB-CE2 4.44Å; E914-F918 WeakPolarHBondContact O-CD2 3.09Å; E914-F918 PolarHBondContact O-N 3.44Å
915	V	59.8	Low	68	Low	102 Å²	102	98 Å²	98	62%	0.618	51%	0.511	S	S	*	.	H	α-helix	trans	-58.8	-40	175.2	171.3	0	0	0	0	111.4	A911 A919	A911-V915 WeakPolarHBondContact O-CG2 3.4Å; A911-V915 PolarHBondContact O-N 3.46Å; A911-V915 VanDerWaalsContact O-N 3.16Å; V915-A919 WeakPolarHBondContact O-CB 3.08Å; V915-A919 PolarHBondContact O-N 3.43Å
916	M	58.9	Low	66.8	Low	122 Å²	122	99.7 Å²	99.7	60%	0.601	52%	0.516	S	S	*	.	H	α-helix	trans	-66.7	-38.9	173.4	-70	-69.4	-68.4	0	0	112.3	K912 S913 E914 A919 D920	K912-M916 WeakPolarHBondContact O-CG 3.39Å; K912-M916 PolarHBondContact O-N 2.92Å; K912-M916 VanDerWaalsContact O-N 3.14Å; S913-M916 CarbonylContact O-C 3.54Å; S913-M916 WeakPolarHBondContact O-CB 3.48Å; S913-M916 PolarHBondContact O-N 2.91Å; E914-M916 VanDerWaalsContact C-N 3.27Å; E914-M916 PolarHBondContact O-N 3.15Å; M916-A919 PolarHBondContact O-N 3.49Å; M916-D920 PolarHBondContact O-N 2.82Å
917	F	52.2	Low	65.8	Low	160 Å²	160	98.5 Å²	98.5	70%	0.702	51%	0.513	S	S	*	.	H	α-helix	trans	-68.9	-37.2	178.7	-150.5	-89.8	0	0	0	112.2	S913 E914 D920 A921	S913-F917 WeakPolarHBondContact O-CB 3.07Å; S913-F917 PolarHBondContact O-N 3.05Å; E914-F917 CarbonylContact O-C 3.55Å; E914-F917 PolarHBondContact O-N 2.71Å; F917-D920 PolarHBondContact O-N 2.97Å; F917-A921 WeakPolarHBondContact O-CB 3.35Å; F917-A921 PolarHBondContact O-N 3.03Å
918	F	52.4	Low	64.7	Low	145 Å²	145	97.9 Å²	97.9	64%	0.636	52%	0.515	S	S	*	.	H	α-helix	trans	-68	-37.6	171.9	-78.3	-71	0	0	0	111.6	E914 T922	E914-F918 HydrophobicContact CB-CD2 4.47Å; E914-F918 HydrophobicContact CB-CE2 4.44Å; E914-F918 WeakPolarHBondContact O-CD2 3.09Å; E914-F918 PolarHBondContact O-N 3.44Å; F918-T922 VanDerWaalsContact O-CB 3.3Å; F918-T922 WeakPolarHBondContact O-CB 3.48Å; F918-T922 WeakPolarHBondContact O-CG2 3.31Å; F918-T922 PolarHBondContact O-N 3.35Å; F918-T922 PolarHBondContact O-OG1 2.85Å
919	A	57.3	Low	63.8	Low	50 Å²	50	100.7 Å²	100.7	41%	0.413	53%	0.526	S	S	.	.	H	α-helix	trans	-64.7	-41.1	173.3	0	0	0	0	0	112.3	V915 M916 T922 S923	V915-A919 WeakPolarHBondContact O-CB 3.08Å; V915-A919 PolarHBondContact O-N 3.43Å; M916-A919 PolarHBondContact O-N 3.49Å; A919-T922 WeakPolarHBondContact CA-OG1 3.45Å; A919-T922 PolarHBondContact O-OG1 2.89Å; A919-S923 WeakPolarHBondContact O-CB 3.46Å; A919-S923 PolarHBondContact O-N 2.84Å
920	D	56.7	Low	63.3	Low	95 Å²	95	105.6 Å²	105.6	51%	0.508	53%	0.533	S	S	.	.	H	α-helix	trans	-75.4	-36.9	177.8	-85	-12.4	0	0	0	113.2	M916 F917 S923 H924	M916-D920 PolarHBondContact O-N 2.82Å; F917-D920 PolarHBondContact O-N 2.97Å; D920-S923 WeakPolarHBondContact CA-OG 3.47Å; D920-S923 PolarHBondContact O-N 2.96Å; D920-S923 PolarHBondContact O-OG 3.01Å; D920-H924 WeakPolarHBondContact O-CB 3.09Å; D920-H924 PolarHBondContact O-N 3.41Å
921	A	54.6	Low	62.9	Low	47 Å²	47	107.4 Å²	107.4	39%	0.388	54%	0.54	S	S	.	.	H	α-helix	trans	-66.8	-39.5	174.8	0	0	0	0	0	111.3	F917 L925	F917-A921 WeakPolarHBondContact O-CB 3.35Å; F917-A921 PolarHBondContact O-N 3.03Å; A921-L925 WeakPolarHBondContact O-CB 3.47Å; A921-L925 PolarHBondContact O-N 3.27Å; A921-L925 VanDerWaalsContact O-N 3.08Å
922	T	57.3	Low	62.4	Low	83 Å²	83	113.3 Å²	113.3	51%	0.509	55%	0.551	S	S	.	*	H	α-helix	trans	-68.2	-40.7	175.4	51	0	0	0	0	111.7	F918 A919 H924 L925 E926	F918-T922 VanDerWaalsContact O-CB 3.3Å; F918-T922 WeakPolarHBondContact O-CB 3.48Å; F918-T922 WeakPolarHBondContact O-CG2 3.31Å; F918-T922 PolarHBondContact O-N 3.35Å; F918-T922 PolarHBondContact O-OG1 2.85Å; A919-T922 WeakPolarHBondContact CA-OG1 3.45Å; A919-T922 PolarHBondContact O-OG1 2.89Å; T922-H924 PolarHBondContact O-N 3.44Å; T922-L925 PolarHBondContact O-N 2.84Å; T922-E926 WeakPolarHBondContact O-CG 3.3Å; T922-E926 PolarHBondContact O-N 3.41Å
923	S	54.8	Low	62	Low	53 Å²	53	114.3 Å²	114.3	37%	0.371	56%	0.555	S	S	.	*	H	α-helix	trans	-63	-41.4	175.4	78.4	0	0	0	0	112.3	A919 D920 L925 E926 E927	A919-S923 WeakPolarHBondContact O-CB 3.46Å; A919-S923 PolarHBondContact O-N 2.84Å; D920-S923 WeakPolarHBondContact CA-OG 3.47Å; D920-S923 PolarHBondContact O-N 2.96Å; D920-S923 PolarHBondContact O-OG 3.01Å; S923-L925 VanDerWaalsContact C-N 3.33Å; S923-L925 PolarHBondContact O-N 3.41Å; S923-E926 PolarHBondContact O-N 3.32Å; S923-E927 PolarHBondContact O-N 3.04Å
924	H	58.7	Low	62.1	Low	125 Å²	125	118.1 Å²	118.1	58%	0.579	56%	0.563	S	S	*	*	H	α-helix	trans	-64.7	-34.4	174	-96.7	-56	0	0	0	113.4	D920 T922 K928	D920-H924 WeakPolarHBondContact O-CB 3.09Å; D920-H924 PolarHBondContact O-N 3.41Å; T922-H924 PolarHBondContact O-N 3.44Å; H924-K928 PolarHBondContact O-N 3.05Å
925	L	55.1	Low	62.2	Low	96 Å²	96	121.5 Å²	121.5	50%	0.503	57%	0.571	S	S	.	*	H	α-helix	trans	-72.1	-38.9	177.1	-136.3	157.9	0	0	0	111.1	A921 T922 S923 K928 K929	A921-L925 WeakPolarHBondContact O-CB 3.47Å; A921-L925 PolarHBondContact O-N 3.27Å; A921-L925 VanDerWaalsContact O-N 3.08Å; T922-L925 PolarHBondContact O-N 2.84Å; S923-L925 VanDerWaalsContact C-N 3.33Å; S923-L925 PolarHBondContact O-N 3.41Å; L925-K928 PolarHBondContact O-N 2.62Å; L925-K929 HydrophobicContact CD2-CD 4.28Å; L925-K929 HydrophobicContact CD2-CG 4.42Å; L925-K929 WeakPolarHBondContact O-CB 3.35Å; L925-K929 WeakPolarHBondContact O-CG 3.15Å; L925-K929 PolarHBondContact O-N 2.87Å
926	E	64.1	Low	62.5	Low	126 Å²	126	121.2 Å²	121.2	59%	0.589	56%	0.563	S	S	*	*	H	α-helix	trans	-65.2	-40.9	171.9	-73.7	-163.5	159.6	0	0	112.5	T922 S923 K929 R930	T922-E926 WeakPolarHBondContact O-CG 3.3Å; T922-E926 PolarHBondContact O-N 3.41Å; S923-E926 PolarHBondContact O-N 3.32Å; E926-K929 PolarHBondContact O-N 2.98Å; E926-R930 WeakPolarHBondContact O-CB 3.35Å; E926-R930 WeakPolarHBondContact O-CG 3.35Å; E926-R930 PolarHBondContact O-N 3.22Å
927	E	68.1	Low	62.9	Low	96 Å²	96	122.8 Å²	122.8	45%	0.449	57%	0.566	S	S	.	*	H	α-helix	trans	-61.2	-44.4	172	-84.4	-149.4	149.8	0	0	112.2	S923 K929 R930 K931	S923-E927 PolarHBondContact O-N 3.04Å; E927-K929 VanDerWaalsContact C-N 3.34Å; E927-K929 PolarHBondContact O-N 2.91Å; E927-R930 PolarHBondContact O-N 3Å; E927-K931 WeakPolarHBondContact O-CB 3.29Å; E927-K931 WeakPolarHBondContact O-CG 3.34Å; E927-K931 PolarHBondContact O-N 2.87Å; E927-K931 IonicContact OE2-NZ 2.68Å; E927-K931 PolarHBondContact OE2-NZ 2.85Å
928	K	66.4	Low	63.3	Low	160 Å²	160	120.3 Å²	120.3	70%	0.696	56%	0.56	S	S	*	*	H	α-helix	trans	-61.1	-42.9	175.2	-95.3	-177.9	176.6	173.3	0	111.2	H924 L925 K931 R932	H924-K928 PolarHBondContact O-N 3.05Å; L925-K928 PolarHBondContact O-N 2.62Å; K928-K931 PolarHBondContact O-N 3.26Å; K928-R932 WeakPolarHBondContact O-CB 3.25Å; K928-R932 PolarHBondContact O-N 2.62Å
929	K	67.5	Low	63.8	Low	133 Å²	133	118.8 Å²	118.8	58%	0.578	56%	0.558	S	S	*	*	H	α-helix	trans	-63.9	-40.5	175	-77.5	178.4	178.6	175.6	0	111.8	L925 E926 E927 R932 K933	L925-K929 HydrophobicContact CD2-CD 4.28Å; L925-K929 HydrophobicContact CD2-CG 4.42Å; L925-K929 WeakPolarHBondContact O-CB 3.35Å; L925-K929 WeakPolarHBondContact O-CG 3.15Å; L925-K929 PolarHBondContact O-N 2.87Å; E926-K929 PolarHBondContact O-N 2.98Å; E927-K929 VanDerWaalsContact C-N 3.34Å; E927-K929 PolarHBondContact O-N 2.91Å; K929-R932 PolarHBondContact O-N 3.36Å; K929-K933 WeakPolarHBondContact O-CB 3.44Å; K929-K933 WeakPolarHBondContact O-CG 3.48Å; K929-K933 PolarHBondContact O-N 3.46Å
930	R	71.4	Confident	63.8	Low	181 Å²	181	122.6 Å²	122.6	68%	0.683	57%	0.57	S	S	*	*	H	α-helix	trans	-64.3	-43.4	174.1	-81	-180	171.5	-174.7	-0.6	112	E926 E927 K933 K934	E926-R930 WeakPolarHBondContact O-CB 3.35Å; E926-R930 WeakPolarHBondContact O-CG 3.35Å; E926-R930 PolarHBondContact O-N 3.22Å; E927-R930 PolarHBondContact O-N 3Å; R930-K933 PolarHBondContact O-N 3.07Å; R930-K934 WeakPolarHBondContact O-CB 3.42Å; R930-K934 WeakPolarHBondContact O-CG 2.94Å; R930-K934 PolarHBondContact O-N 2.8Å
931	K	72.8	Confident	63.7	Low	124 Å²	124	123.2 Å²	123.2	54%	0.539	58%	0.578	S	S	.	*	H	α-helix	trans	-64.3	-38.9	175.7	-75.2	170.7	179.3	159.8	0	111.5	E927 K928 K934 R935	E927-K931 WeakPolarHBondContact O-CB 3.29Å; E927-K931 WeakPolarHBondContact O-CG 3.34Å; E927-K931 PolarHBondContact O-N 2.87Å; E927-K931 IonicContact OE2-NZ 2.68Å; E927-K931 PolarHBondContact OE2-NZ 2.85Å; K928-K931 PolarHBondContact O-N 3.26Å; K931-K934 PolarHBondContact O-N 2.83Å; K931-R935 PolarHBondContact O-N 2.65Å
932	R	69.8	Low	63.4	Low	175 Å²	175	128.1 Å²	128.1	66%	0.66	60%	0.597	S	S	*	*	H	α-helix	trans	-66.6	-46.8	175	-164.3	174.3	-179.9	167.5	3.8	112	K928 K929 K934 R935 E936	K928-R932 WeakPolarHBondContact O-CB 3.25Å; K928-R932 PolarHBondContact O-N 2.62Å; K929-R932 PolarHBondContact O-N 3.36Å; R932-K934 VanDerWaalsContact C-N 3.32Å; R932-K934 PolarHBondContact O-N 3.27Å; R932-R935 PolarHBondContact O-N 3.28Å; R932-R935 VanDerWaalsContact O-N 3.14Å; R932-E936 IonicContact NE-OE1 3.82Å; R932-E936 WeakPolarHBondContact O-CG 3.32Å; R932-E936 PolarHBondContact O-N 3.18Å
933	K	69.8	Low	62.7	Low	144 Å²	144	132 Å²	132	63%	0.626	62%	0.62	S	S	*	*	H	α-helix	trans	-60.9	-36.9	173.2	-77	-176.3	176.5	-176.2	0	112.9	K929 R930 K937	K929-K933 WeakPolarHBondContact O-CB 3.44Å; K929-K933 WeakPolarHBondContact O-CG 3.48Å; K929-K933 PolarHBondContact O-N 3.46Å; R930-K933 PolarHBondContact O-N 3.07Å; K933-K937 WeakPolarHBondContact O-CB 3.4Å; K933-K937 WeakPolarHBondContact O-CG 3.48Å; K933-K937 PolarHBondContact O-N 2.88Å
934	K	72	Confident	63.1	Low	148 Å²	148	136 Å²	136	64%	0.643	63%	0.633	S	S	*	*	H	α-helix	trans	-66.6	-41.2	173.7	-79.9	-176.2	176.9	-175.8	0	111.9	R930 K931 R932 K937 L938	R930-K934 WeakPolarHBondContact O-CB 3.42Å; R930-K934 WeakPolarHBondContact O-CG 2.94Å; R930-K934 PolarHBondContact O-N 2.8Å; K931-K934 PolarHBondContact O-N 2.83Å; R932-K934 VanDerWaalsContact C-N 3.32Å; R932-K934 PolarHBondContact O-N 3.27Å; K934-K937 PolarHBondContact O-N 2.8Å; K934-L938 WeakPolarHBondContact O-CB 3.46Å; K934-L938 PolarHBondContact O-N 3.25Å
935	R	67.3	Low	63.3	Low	187 Å²	187	136.5 Å²	136.5	71%	0.706	64%	0.636	S	S	*	*	H	α-helix	trans	-64.4	-44.3	174.1	-81.1	-177	172.3	-178.7	-2.4	112.2	K931 R932 L938 I939	K931-R935 PolarHBondContact O-N 2.65Å; R932-R935 PolarHBondContact O-N 3.28Å; R932-R935 VanDerWaalsContact O-N 3.14Å; R935-L938 PolarHBondContact O-N 3.41Å; R935-I939 WeakPolarHBondContact O-CD1 3.35Å; R935-I939 VanDerWaalsContact O-CG1 3.25Å; R935-I939 WeakPolarHBondContact O-CG1 3.49Å; R935-I939 PolarHBondContact O-N 3.07Å
936	E	65.9	Low	63.8	Low	96 Å²	96	138.8 Å²	138.8	45%	0.449	64%	0.643	S	S	.	*	H	α-helix	trans	-63.9	-40.6	176.8	-74.7	166.1	-174.4	0	0	111.7	R932 I939 L940	R932-E936 IonicContact NE-OE1 3.82Å; R932-E936 WeakPolarHBondContact O-CG 3.32Å; R932-E936 PolarHBondContact O-N 3.18Å; E936-I939 PolarHBondContact O-N 3.32Å; E936-L940 PolarHBondContact O-N 2.83Å
937	K	66.1	Low	63.8	Low	154 Å²	154	139.5 Å²	139.5	67%	0.67	65%	0.646	S	S	*	*	H	α-helix	trans	-63.6	-39.6	172.6	-80	-173.3	175.2	-168.9	0	113	K933 K934 I939 L940 T941	K933-K937 WeakPolarHBondContact O-CB 3.4Å; K933-K937 WeakPolarHBondContact O-CG 3.48Å; K933-K937 PolarHBondContact O-N 2.88Å; K934-K937 PolarHBondContact O-N 2.8Å; K937-I939 VanDerWaalsContact C-N 3.32Å; K937-L940 PolarHBondContact O-N 3.14Å; K937-T941 WeakPolarHBondContact O-CG2 3.46Å; K937-T941 PolarHBondContact O-N 3.4Å; K937-T941 VanDerWaalsContact O-N 3.14Å; K937-T941 PolarHBondContact O-OG1 3.27Å
938	L	62.5	Low	63.5	Low	108 Å²	108	142.3 Å²	142.3	57%	0.565	66%	0.658	S	S	*	*	H	α-helix	trans	-64.9	-35.9	175.8	-90.1	155.5	0	0	0	112.4	K934 R935 T941	K934-L938 WeakPolarHBondContact O-CB 3.46Å; K934-L938 PolarHBondContact O-N 3.25Å; R935-L938 PolarHBondContact O-N 3.41Å; L938-T941 WeakPolarHBondContact CA-OG1 3.43Å; L938-T941 PolarHBondContact O-N 3.22Å; L938-T941 PolarHBondContact O-OG1 2.97Å
939	I	63.1	Low	63.3	Low	114 Å²	114	141.1 Å²	141.1	59%	0.585	66%	0.656	S	S	*	*	H	α-helix	trans	-70.5	-39.7	176.7	-67.4	162.2	0	0	0	110.8	R935 E936 K937 T941 L942	R935-I939 WeakPolarHBondContact O-CD1 3.35Å; R935-I939 VanDerWaalsContact O-CG1 3.25Å; R935-I939 WeakPolarHBondContact O-CG1 3.49Å; R935-I939 PolarHBondContact O-N 3.07Å; E936-I939 PolarHBondContact O-N 3.32Å; K937-I939 VanDerWaalsContact C-N 3.32Å; I939-T941 VanDerWaalsContact C-N 3.26Å; I939-T941 PolarHBondContact O-N 2.92Å; I939-L942 PolarHBondContact O-N 2.8Å
940	L	57.1	Low	63	Low	130 Å²	130	141.6 Å²	141.6	68%	0.681	66%	0.661	S	S	*	*	H	α-helix	trans	-69.4	-18.1	175.4	-98.7	146	0	0	0	114.3	E936 K937	E936-L940 PolarHBondContact O-N 2.83Å; K937-L940 PolarHBondContact O-N 3.14Å
941	T	54.3	Low	62.4	Low	108 Å²	108	138.6 Å²	138.6	66%	0.663	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	-3.1	174.2	48.9	0	0	0	0	113.8	K937 L938 I939	K937-T941 WeakPolarHBondContact O-CG2 3.46Å; K937-T941 PolarHBondContact O-N 3.4Å; K937-T941 VanDerWaalsContact O-N 3.14Å; K937-T941 PolarHBondContact O-OG1 3.27Å; L938-T941 WeakPolarHBondContact CA-OG1 3.43Å; L938-T941 PolarHBondContact O-N 3.22Å; L938-T941 PolarHBondContact O-OG1 2.97Å; I939-T941 VanDerWaalsContact C-N 3.26Å; I939-T941 PolarHBondContact O-N 2.92Å
942	L	48.2	Very low	61.5	Low	150 Å²	150	139.8 Å²	139.8	79%	0.785	67%	0.67	S	S	*	*			trans	-110.3	4.1	-179.6	-87.2	158.7	0	0	0	113.3	I939	I939-L942 PolarHBondContact O-N 2.8Å
943	T	42	Very low	60.7	Low	164 Å²	164	136.6 Å²	136.6	100%	1.006	67%	0.671	S	S	*	*			trans	-113.8	0	167.1	53.3	0	0	0	0	108.8

Retrieved 943 of 943 residues in 228.1 ms (Link to these results)

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