A0A087YJ42_POEFO 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 A0A087YJ42, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 944 aa.

						>A0A087YJ42_POEFO|A0A087YJ42
MGLTKQYLRYAASAVFGVIGSQRANIAYVTLRGGEKGRYVAVAACEHVFIWDVRKGEKVLILQGQKHEVSFLCPSPDGVHVAVGYEDGMVRIFNLLSGESNVSFNGHKSGVTAMNYDSLGARLVTGSKDTDVIVWDIINECGLYRLRGHKDVITQALFLKDKNLLVSSSKDSFVKWWDLDTQHCFKTMVGHRSEVWGMVLLDRDNRLLTGSADSELRAWDIRRLEEGKAEGEPRVKKGKTLLEDDEDDDGKEEEEEAETVEERILSCQKAGSILREARDRVVSLTADSKARVIACHGNDAVLEVFTVLSEEEVQRKMNKKLKKAKKKAAKTQEGAGDQTAEPVVERTLKDEIIRLTNIKASAKIRWADVLSCAGGELKVALLLQNNTVETYSLKTSDKNPAANKTARLTLGGHRTDVRTLAFSSDNLAVLSASGDTVKVWNRSTLQVIRTMACEYALCSLFVPGDRQIILGTKSGKLQIFELASGSLLETVDAHSGAVWSLCVAPDQRGIISGSADKTVKFWEFELVRDKETDQNRRLTVKHTRTLQLDEDVLCVKFSPDHRLLAVSLLDCTVKVFYTDTLKFFLSLYGHKLPVLCLDITHDSALIATGSADRNVKIWGLDFGDCHRSLFAHDDSVMFLQFVPKTHLFFTAGKDKKIKQWDADKFELIQTLEGHHREVWCLAISPNGDHLVSSSHDKSLRLWERTREPIILEEEREMEREAEFEESMAKGDAPVVPGETEGEAAPAGKKSIETVKAAERIMEALELYREETRKSEEHKYFCEKAGKELPPPKPNPILVAFGNVTPSRYVLDVIRKVRSSELEISLLVLPFPYVPELLKLFSSYIQQGLEVELVCRCLFFLLKIHFGQITSNQMLVSVIDELKTNTLSKVCQIRDVLGFNSAALQFLQREIESKEDVMFFADATGQLEEKKKRRRKRERTVLTIA
					

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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	37.5	Very low	69.3	Low	243 Å²	243	97.9 Å²	97.9	100%	1.197	53%	0.525	S	S	*	.				0	99.2	0	-68.7	179.5	-172.4	0	0	106.7
2	G	38.3	Very low	71	Confident	72 Å²	72	95.3 Å²	95.3	74%	0.742	53%	0.527	S	S	*	.			trans	-64.1	134.7	176.1	0	0	0	0	0	108.8	T4	G2-T4 PolarHBondContact O-N 2.92Å
3	L	41.6	Very low	72.2	Confident	174 Å²	174	92.9 Å²	92.9	91%	0.911	52%	0.521	S	S	*	.			trans	-54.2	109.7	165.1	-98	84.7	0	0	0	106.5	K5	L3-K5 PolarHBondContact O-N 2.94Å; L3-K5 VanDerWaalsContact O-N 3.11Å
4	T	58.1	Low	73.2	Confident	113 Å²	113	88 Å²	88	69%	0.693	50%	0.498	S	S	*	.			trans	-56.2	119.1	163.9	40.6	0	0	0	0	105.9	G2 Q6	G2-T4 PolarHBondContact O-N 2.92Å; T4-Q6 PolarHBondContact O-N 3.04Å
5	K	64.2	Low	74.3	Confident	138 Å²	138	83.4 Å²	83.4	60%	0.6	47%	0.472	S	S	*	.			trans	-54	109.2	172.4	-80.1	-177	179.7	177.1	0	106.3	L3 D663	L3-K5 PolarHBondContact O-N 2.94Å; L3-K5 VanDerWaalsContact O-N 3.11Å; K5-D663 IonicContact NZ-OD2 3.08Å; K5-D663 PolarHBondContact NZ-OD2 2.98Å
6	Q	77.6	Confident	75.2	Confident	141 Å²	141	78.5 Å²	78.5	66%	0.659	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-81.7	124.8	176.6	-70.2	177.6	-12.6	0	0	107.9	T4	T4-Q6 PolarHBondContact O-N 3.04Å
7	Y	86	Confident	75.9	Confident	18 Å²	18	73.9 Å²	73.9	7%	0.071	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	136.2	171.5	-59.3	-66.9	0	0	0	108.9	L647 D661 K664 I668 P708 I709 L711	Y7-L647 HydrophobicContact CE1-CD2 4.17Å; Y7-D661 WeakPolarHBondContact CE1-OD2 3.02Å; Y7-D661 PolarHBondContact OH-OD2 3.07Å; Y7-K664 WeakPolarHBondContact OH-CD 3.35Å; Y7-K664 VanDerWaalsContact OH-CE 3.3Å; Y7-K664 WeakPolarHBondContact OH-CE 3.29Å; Y7-K664 PolarHBondContact OH-NZ 3.01Å; Y7-I668 HydrophobicContact CD1-CD1 3.49Å; Y7-I668 VanDerWaalsContact CD1-CD1 3.49Å; Y7-I668 HydrophobicContact CD1-CG1 3.96Å; Y7-I668 HydrophobicContact CD1-CG2 4.15Å; Y7-I668 HydrophobicContact CD2-CG2 4.39Å; Y7-I668 HydrophobicContact CE1-CD1 3.5Å; Y7-I668 HydrophobicContact CE1-CG1 3.96Å; Y7-I668 HydrophobicContact CG-CD1 4.24Å; Y7-I668 HydrophobicContact CG-CG1 4.26Å; Y7-I668 HydrophobicContact CG-CG2 3.85Å; Y7-P708 CarbonylContact O-C 3.46Å; Y7-P708 VanDerWaalsContact O-CA 3.26Å; Y7-P708 WeakPolarHBondContact O-CA 3.39Å; Y7-I709 PolarHBondContact O-N 3.12Å; Y7-L711 HydrophobicContact CD2-CD2 4.15Å; Y7-L711 HydrophobicContact CD2-CG 4.38Å; Y7-L711 HydrophobicContact CE2-CD1 4.05Å; Y7-L711 HydrophobicContact CE2-CD2 4.37Å; Y7-L711 HydrophobicContact CE2-CG 4.4Å
8	L	88.2	Confident	76.6	Confident	47 Å²	47	69.9 Å²	69.9	25%	0.246	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	138.4	179.4	-66.7	175.3	0	0	0	110	R704	L8-R704 HydrophobicContact CB-CG 3.86Å
9	R	89.6	Confident	77.2	Confident	90 Å²	90	66.3 Å²	66.3	34%	0.34	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	132.4	-175.6	-172.7	176	-172.2	152.7	8.2	113.2	T705 E707 I709	R9-T705 PolarHBondContact O-N 3.27Å; R9-T705 PolarHBondContact O-OG1 3.32Å; R9-E707 HydrophobicContact CB-CB 4.35Å; R9-E707 PolarHBondContact N-O 2.7Å; R9-I709 VanDerWaalsContact CA-CD1 3.46Å; R9-I709 HydrophobicContact CB-CD1 3.76Å; R9-I709 HydrophobicContact CB-CG1 3.66Å; R9-I709 HydrophobicContact CG-CD1 4.06Å; R9-I709 HydrophobicContact CG-CG1 4.17Å
10	Y	91.5	Very high	77.7	Confident	6 Å²	6	63.2 Å²	63.2	2%	0.024	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	125.5	163.8	-75.2	-99.5	0	0	0	109.9	F649 Q669 L671 G687 W702 E703 R704	Y10-F649 HydrophobicContact CD1-CZ 4.23Å; Y10-F649 HydrophobicContact CD2-CE1 4.45Å; Y10-F649 AromaticContact CD2-CZ 3.72Å; Y10-F649 HydrophobicContact CD2-CZ 3.72Å; Y10-F649 HydrophobicContact CE1-CE2 4.37Å; Y10-F649 HydrophobicContact CE1-CZ 4.06Å; Y10-F649 HydrophobicContact CE2-CE2 4.14Å; Y10-F649 AromaticContact CE2-CZ 3.54Å; Y10-F649 HydrophobicContact CE2-CZ 3.54Å; Y10-F649 HydrophobicContact CG-CZ 4.04Å; Y10-F649 AromaticContact CZ-CE2 3.93Å; Y10-F649 AromaticContact CZ-CZ 3.68Å; Y10-Q669 PolarHBondContact O-NE2 3.47Å; Y10-Q669 PolarHBondContact O-OE1 2.7Å; Y10-L671 WeakPolarHBondContact O-CD2 3.47Å; Y10-G687 PolarHBondContact OH-O 3.25Å; Y10-W702 HydrophobicContact CD1-CB 4.48Å; Y10-E703 WeakPolarHBondContact CA-O 3.28Å; Y10-R704 HydrophobicContact CD1-CB 4.15Å; Y10-R704 HydrophobicContact CD2-CG 4.26Å; Y10-R704 HydrophobicContact CE1-CB 3.82Å; Y10-R704 HydrophobicContact CE1-CG 4.27Å; Y10-R704 HydrophobicContact CE2-CB 4.34Å; Y10-R704 HydrophobicContact CE2-CG 3.88Å
11	A	90.2	Very high	78	Confident	35 Å²	35	60.7 Å²	60.7	29%	0.289	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	146	177	0	0	0	0	0	110.5	S13 W702 E703 T705	A11-S13 PolarHBondContact O-N 3.41Å; A11-W702 CarbonylContact O-C 3.58Å; A11-W702 VanDerWaalsContact O-CA 3.24Å; A11-W702 WeakPolarHBondContact O-CA 3.46Å; A11-E703 PolarHBondContact N-O 2.86Å; A11-E703 PolarHBondContact O-N 3.41Å; A11-T705 HydrophobicContact CB-CG2 3.71Å
12	A	88.9	Confident	80.2	Confident	67 Å²	67	51.9 Å²	51.9	55%	0.554	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	121.1	171.3	0	0	0	0	0	109	W702	A12-W702 HydrophobicContact CB-CE3 3.79Å; A12-W702 HydrophobicContact CB-CH2 4.26Å; A12-W702 HydrophobicContact CB-CZ3 3.62Å
13	S	87.2	Confident	82.2	Confident	64 Å²	64	53 Å²	53	45%	0.448	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-50.8	-179.5	179.8	0	0	0	0	110.9	A11 L701	A11-S13 PolarHBondContact O-N 3.41Å; S13-L701 WeakPolarHBondContact CB-O 3.19Å; S13-L701 PolarHBondContact N-O 3.35Å
14	A	86.3	Confident	84.3	Confident	24 Å²	24	44.8 Å²	44.8	20%	0.198	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	152.2	-177.7	0	0	0	0	0	114.6	L445 R700 L701	A14-L445 HydrophobicContact CB-CD1 3.27Å; A14-R700 WeakPolarHBondContact O-CA 3.31Å; A14-L701 PolarHBondContact N-O 2.66Å; A14-L701 PolarHBondContact O-N 2.81Å
15	V	88.8	Confident	85.8	Confident	19 Å²	19	39.7 Å²	39.7	12%	0.115	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.8	172.9	-171.1	0	0	0	0	110	L699 R700	V15-L699 WeakPolarHBondContact CA-O 3.22Å; V15-R700 HydrophobicContact CG1-CG 4.47Å; V15-R700 HydrophobicContact CG2-CG 4.21Å
16	F	89.9	Confident	87.1	Confident	5 Å²	5	33.2 Å²	33.2	2%	0.022	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	179.5	179.1	64.8	-78.4	0	0	0	111.3	V18 W440 L445 V691 L699 L701	F16-V18 VanDerWaalsContact C-N 3.25Å; F16-V18 PolarHBondContact O-N 2.82Å; F16-W440 AromaticContact CD2-CD2 3.74Å; F16-W440 HydrophobicContact CD2-CD2 3.74Å; F16-W440 AromaticContact CD2-CE3 3.53Å; F16-W440 HydrophobicContact CD2-CE3 3.53Å; F16-W440 HydrophobicContact CD2-CG 4.28Å; F16-W440 HydrophobicContact CD2-CH2 4.37Å; F16-W440 AromaticContact CD2-CZ3 3.85Å; F16-W440 HydrophobicContact CD2-CZ3 3.85Å; F16-W440 HydrophobicContact CE2-CB 4.15Å; F16-W440 AromaticContact CE2-CD2 3.7Å; F16-W440 HydrophobicContact CE2-CD2 3.7Å; F16-W440 AromaticContact CE2-CE3 3.96Å; F16-W440 HydrophobicContact CE2-CE3 3.96Å; F16-W440 AromaticContact CE2-CG 3.76Å; F16-W440 HydrophobicContact CE2-CG 3.76Å; F16-L445 HydrophobicContact CB-CB 4.25Å; F16-L445 HydrophobicContact CD1-CD2 3.78Å; F16-L445 HydrophobicContact CE1-CD2 3.9Å; F16-L445 HydrophobicContact CG-CB 4.34Å; F16-L445 HydrophobicContact CG-CD2 4.27Å; F16-L445 HydrophobicContact CZ-CD2 4.46Å; F16-V691 HydrophobicContact CZ-CG1 4.35Å; F16-L699 HydrophobicContact CD1-CB 4.18Å; F16-L699 WeakPolarHBondContact CD1-O 3.26Å; F16-L699 HydrophobicContact CD2-CB 3.92Å; F16-L699 HydrophobicContact CD2-CD1 4.02Å; F16-L699 HydrophobicContact CE1-CB 3.93Å; F16-L699 HydrophobicContact CE2-CB 3.67Å; F16-L699 HydrophobicContact CE2-CD1 3.53Å; F16-L699 HydrophobicContact CE2-CG 4.25Å; F16-L699 HydrophobicContact CG-CB 4.17Å; F16-L699 HydrophobicContact CZ-CB 3.68Å; F16-L699 HydrophobicContact CZ-CD1 4.18Å; F16-L699 PolarHBondContact N-O 2.85Å; F16-L699 PolarHBondContact O-N 3.3Å; F16-L701 HydrophobicContact CE1-CB 4.23Å
17	G	85.9	Confident	87.7	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.01	15%	0.151	C	C	.	.	S	Bend	trans	80.8	-5.6	-176	0	0	0	0	0	115.8	N386 G411 G412 H413	G17-N386 PolarHBondContact O-ND2 3.25Å; G17-N386 VanDerWaalsContact O-ND2 3.08Å; G17-G411 CarbonylContact C-O 3.54Å; G17-G411 WeakPolarHBondContact CA-O 3.19Å; G17-G412 WeakPolarHBondContact O-CA 3.27Å; G17-H413 PolarHBondContact O-N 2.91Å
18	V	89.1	Confident	87.9	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.012	15%	0.151	C	C	.	.			trans	-109.8	131.7	176.3	-170.7	0	0	0	0	110.9	F16 A44 F49 S698	F16-V18 VanDerWaalsContact C-N 3.25Å; F16-V18 PolarHBondContact O-N 2.82Å; V18-A44 HydrophobicContact CB-CB 4.21Å; V18-A44 HydrophobicContact CG1-CB 3.92Å; V18-F49 WeakPolarHBondContact O-CE2 3.26Å; V18-S698 VanDerWaalsContact CG2-CB 3.43Å
19	I	88.7	Confident	87.9	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.005	14%	0.14	C	C	.	.	S	Bend	trans	-99.9	-45.7	168.3	-57	-179.7	0	0	0	109.3	V42 W51 N386 V388 L408	I19-V42 WeakPolarHBondContact O-CG1 3.44Å; I19-W51 HydrophobicContact CB-CZ2 4.37Å; I19-W51 HydrophobicContact CG1-CZ2 4.32Å; I19-W51 HydrophobicContact CG2-CZ2 4.13Å; I19-W51 PolarHBondContact O-NE1 3.49Å; I19-N386 WeakPolarHBondContact CA-OD1 3.48Å; I19-N386 PolarHBondContact N-OD1 3.06Å; I19-V388 HydrophobicContact CG2-CB 4.46Å; I19-V388 HydrophobicContact CG2-CG2 3.9Å; I19-L408 HydrophobicContact CD1-CB 4.42Å; I19-L408 WeakPolarHBondContact CD1-O 3.22Å; I19-L408 HydrophobicContact CG2-CB 4.06Å
20	G	86.2	Confident	87.5	Confident	3 Å²	3	22.2 Å²	22.2	3%	0.031	14%	0.136	C	C	.	.			trans	-155.7	131.2	175.6	0	0	0	0	0	113.8	A43 N386	G20-A43 CarbonylContact C-O 3.48Å; G20-A43 VanDerWaalsContact CA-O 3.3Å; G20-A43 WeakPolarHBondContact CA-O 3.23Å; G20-N386 PolarHBondContact N-OD1 3.27Å; G20-N386 PolarHBondContact O-OD1 3.37Å
21	S	85.3	Confident	86.9	Confident	11 Å²	11	22.5 Å²	22.5	8%	0.077	14%	0.138	C	C	.	.			trans	-69.3	145.1	174.5	178.5	0	0	0	0	111	R23 A43	S21-R23 PolarHBondContact O-N 2.92Å; S21-R23 PolarHBondContact OG-N 3.23Å; S21-A43 PolarHBondContact N-O 3.35Å
22	Q	82	Confident	85.8	Confident	59 Å²	59	31 Å²	31	28%	0.276	16%	0.162	S	C	.	.	S	Bend	trans	-70.9	-18.4	178.8	-66.2	174.5	-11.1	0	0	113.6	R365 Q384	Q22-R365 VanDerWaalsContact O-CD 3.29Å; Q22-R365 WeakPolarHBondContact O-CD 3.43Å; Q22-R365 VanDerWaalsContact O-CG 3.26Å; Q22-R365 WeakPolarHBondContact O-CG 3.44Å; Q22-R365 PolarHBondContact O-NE 3.03Å; Q22-Q384 WeakPolarHBondContact CG-O 3.18Å; Q22-Q384 PolarHBondContact NE2-O 3.03Å
23	R	82	Confident	84.5	Confident	94 Å²	94	31.7 Å²	31.7	36%	0.355	18%	0.176	S	C	.	.	S	Bend	trans	-87.1	-29.7	-172.3	-81	-173	170.5	179.5	-15.9	113.3	S21 E68 E86	S21-R23 PolarHBondContact O-N 2.92Å; S21-R23 PolarHBondContact OG-N 3.23Å; R23-E68 VanDerWaalsContact CD-CD 3.42Å; R23-E68 WeakPolarHBondContact CD-OE1 3.35Å; R23-E68 VanDerWaalsContact CD-OE2 3.31Å; R23-E68 WeakPolarHBondContact CD-OE2 3.32Å; R23-E68 IonicContact CZ-OE1 2.82Å; R23-E68 IonicContact CZ-OE2 3.6Å; R23-E68 IonicContact NE-OE1 2.67Å; R23-E68 IonicContact NE-OE2 3.26Å; R23-E68 IonicContact NH1-OE1 2.73Å; R23-E68 PolarHBondContact NH1-OE1 2.93Å; R23-E68 IonicContact NH1-OE2 3.74Å; R23-E68 PolarHBondContact NH1-OE2 3.36Å; R23-E86 IonicContact CZ-OE1 3.5Å; R23-E86 IonicContact CZ-OE2 3.07Å; R23-E86 IonicContact NH1-OE1 3.64Å; R23-E86 PolarHBondContact NH1-OE1 3.39Å; R23-E86 IonicContact NH1-OE2 3.38Å; R23-E86 PolarHBondContact NH1-OE2 3.4Å; R23-E86 IonicContact NH2-OE1 3.43Å; R23-E86 PolarHBondContact NH2-OE1 2.89Å
24	A	84.7	Confident	83.4	Confident	2 Å²	2	30 Å²	30	2%	0.017	17%	0.169	C	C	.	.	S	Bend	trans	-91.6	171.1	-179.6	0	0	0	0	0	114.2	A43 V69 S70	A24-A43 HydrophobicContact CB-CB 3.2Å; A24-V69 HydrophobicContact CB-CG1 4.38Å; A24-V69 WeakPolarHBondContact CB-O 3.46Å; A24-S70 WeakPolarHBondContact CA-O 3.23Å
25	N	90.6	Very high	82.6	Confident	7 Å²	7	34.4 Å²	34.4	4%	0.037	19%	0.185	C	C	.	.			trans	-85.9	-179.9	169.1	67.2	-15.6	0	0	0	112.1	F71 L72 W366	N25-F71 HydrophobicContact CB-CD2 4.35Å; N25-F71 HydrophobicContact CB-CE2 4.22Å; N25-F71 VanDerWaalsContact ND2-CE1 3.33Å; N25-F71 WeakPolarHBondContact ND2-CE1 3.47Å; N25-F71 VanDerWaalsContact ND2-CZ 3.32Å; N25-F71 WeakPolarHBondContact ND2-CZ 3.33Å; N25-L72 PolarHBondContact ND2-O 3.25Å; N25-L72 WeakPolarHBondContact OD1-CA 3.23Å; N25-L72 VanDerWaalsContact OD1-CB 3.27Å; N25-L72 WeakPolarHBondContact OD1-CB 3.31Å; N25-L72 PolarHBondContact OD1-N 2.83Å; N25-W366 HydrophobicContact CB-CB 4.32Å; N25-W366 HydrophobicContact CB-CD2 3.47Å; N25-W366 VanDerWaalsContact CB-CD2 3.47Å; N25-W366 VanDerWaalsContact CB-CE2 3.49Å; N25-W366 HydrophobicContact CB-CE3 4.12Å; N25-W366 HydrophobicContact CB-CG 3.54Å; N25-W366 HydrophobicContact CB-CZ2 4.14Å
26	I	91.6	Very high	81.8	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.1	173.5	-172.1	160.8	0	0	0	108.3	V40 V42 W366 D368 A380 L382 V388	I26-V40 HydrophobicContact CD1-CG1 3.45Å; I26-V40 VanDerWaalsContact CD1-CG1 3.45Å; I26-V40 HydrophobicContact CG1-CG1 3.27Å; I26-V42 HydrophobicContact CD1-CG2 3.94Å; I26-V42 HydrophobicContact CG1-CG2 4.09Å; I26-W366 HydrophobicContact CG2-CB 4.12Å; I26-W366 HydrophobicContact CG2-CG 4.3Å; I26-D368 HydrophobicContact CG2-CB 4.32Å; I26-D368 WeakPolarHBondContact O-CB 3.31Å; I26-A380 HydrophobicContact CD1-CB 4.18Å; I26-A380 HydrophobicContact CG1-CB 4.45Å; I26-L382 HydrophobicContact CB-CB 3.97Å; I26-L382 HydrophobicContact CD1-CB 4.06Å; I26-L382 HydrophobicContact CG2-CB 3.94Å; I26-V388 HydrophobicContact CD1-CB 4.49Å; I26-V388 HydrophobicContact CD1-CG1 3.69Å; I26-V388 HydrophobicContact CD1-CG2 4.03Å
27	A	89.8	Confident	81.1	Confident	5 Å²	5	40.1 Å²	40.1	4%	0.041	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	138.6	-179.8	0	0	0	0	0	112	A41 P74 D368	A27-A41 PolarHBondContact N-O 3.48Å; A27-A41 VanDerWaalsContact N-O 3.14Å; A27-A41 PolarHBondContact O-N 2.93Å; A27-P74 HydrophobicContact CB-CG 4.11Å; A27-D368 WeakPolarHBondContact CA-OD2 3.43Å
28	Y	90.1	Very high	81.1	Confident	17 Å²	17	43 Å²	43	7%	0.067	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	136	168	-82.6	-69.4	0	0	0	110.8	V40 D368 L370 V379 A380	Y28-V40 HydrophobicContact CD1-CG2 3.61Å; Y28-V40 HydrophobicContact CE1-CG2 3.48Å; Y28-V40 VanDerWaalsContact CE1-CG2 3.48Å; Y28-D368 HydrophobicContact CD2-CB 4.39Å; Y28-D368 WeakPolarHBondContact CD2-OD2 3.5Å; Y28-D368 PolarHBondContact N-OD2 3.3Å; Y28-L370 HydrophobicContact CD1-CD2 4.5Å; Y28-L370 HydrophobicContact CD2-CB 3.72Å; Y28-L370 HydrophobicContact CD2-CD2 4.45Å; Y28-L370 HydrophobicContact CE2-CB 4.1Å; Y28-L370 HydrophobicContact CG-CB 4.21Å; Y28-L370 HydrophobicContact CG-CD2 4.12Å; Y28-V379 VanDerWaalsContact OH-C 3.3Å; Y28-A380 HydrophobicContact CD2-CB 4.32Å; Y28-A380 HydrophobicContact CE1-CB 4.23Å; Y28-A380 HydrophobicContact CE2-CB 3.58Å; Y28-A380 PolarHBondContact OH-N 3.02Å
29	V	86.9	Confident	81.2	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.024	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	144.4	179.3	177.1	0	0	0	0	109.9	L31 Y39 A41 P74 V81 L95	V29-L31 HydrophobicContact CG1-CD2 4.48Å; V29-L31 HydrophobicContact CG1-CG 4.42Å; V29-Y39 PolarHBondContact N-O 3.31Å; V29-Y39 WeakPolarHBondContact O-CB 3.35Å; V29-A41 HydrophobicContact CG2-CB 3.55Å; V29-P74 HydrophobicContact CG2-CB 4.36Å; V29-V81 HydrophobicContact CG2-CG2 4.28Å; V29-L95 HydrophobicContact CG1-CD1 3.27Å; V29-L95 HydrophobicContact CG1-CD2 3.8Å; V29-L95 HydrophobicContact CG1-CG 4.15Å
30	T	82.5	Confident	81.3	Confident	40 Å²	40	44.3 Å²	44.3	25%	0.245	23%	0.227	C	C	.	.			trans	-101.6	113.5	171.7	50	0	0	0	0	109.6	K36 G78	T30-K36 HydrophobicContact CG2-CG 3.83Å; T30-G78 VanDerWaalsContact O-O 3.1Å; T30-G78 WeakPolarHBondContact OG1-CA 3.48Å
31	L	77.5	Confident	81.6	Confident	12 Å²	12	44.2 Å²	44.2	6%	0.063	23%	0.226	C	C	.	.			trans	-100.8	129.3	174.6	-73.1	175	0	0	0	110.6	V29 G33 G34 Y39 I50 V59 L95	V29-L31 HydrophobicContact CG1-CD2 4.48Å; V29-L31 HydrophobicContact CG1-CG 4.42Å; L31-G33 VanDerWaalsContact C-N 3.32Å; L31-G33 PolarHBondContact O-N 2.86Å; L31-G34 WeakPolarHBondContact O-CA 3.35Å; L31-G34 PolarHBondContact O-N 3.33Å; L31-Y39 HydrophobicContact CB-CD2 3.8Å; L31-Y39 HydrophobicContact CB-CE2 3.82Å; L31-Y39 HydrophobicContact CB-CG 4.35Å; L31-Y39 HydrophobicContact CD1-CD1 4Å; L31-Y39 HydrophobicContact CD1-CD2 4.23Å; L31-Y39 HydrophobicContact CD1-CE1 4.35Å; L31-Y39 HydrophobicContact CD1-CG 3.92Å; L31-Y39 HydrophobicContact CG-CD2 4.2Å; L31-Y39 HydrophobicContact CG-CG 4.28Å; L31-I50 HydrophobicContact CD1-CG2 3.76Å; L31-I50 HydrophobicContact CD2-CD1 4.39Å; L31-V59 HydrophobicContact CD1-CG1 4.09Å; L31-L95 HydrophobicContact CD2-CB 3.79Å; L31-L95 HydrophobicContact CD2-CD2 4.16Å; L31-L95 HydrophobicContact CD2-CG 4.41Å
32	R	67.1	Low	81.9	Confident	212 Å²	212	43.7 Å²	43.7	80%	0.8	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	39.7	168.8	-58.1	-178.5	-179.7	-179.9	-0.3	114.7	G34 L96	R32-G34 PolarHBondContact O-N 3.45Å; R32-G34 VanDerWaalsContact O-N 3.15Å; R32-L96 HydrophobicContact CG-CD2 3.85Å
33	G	61.7	Low	82.3	Confident	83 Å²	83	41 Å²	41	86%	0.856	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.7	14	-176.8	0	0	0	0	0	114.4	L31	L31-G33 VanDerWaalsContact C-N 3.32Å; L31-G33 PolarHBondContact O-N 2.86Å
34	G	64.2	Low	82.7	Confident	28 Å²	28	36.5 Å²	36.5	29%	0.289	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-65.8	164.2	175.7	0	0	0	0	0	112.9	L31 R32 K36	L31-G34 WeakPolarHBondContact O-CA 3.35Å; L31-G34 PolarHBondContact O-N 3.33Å; R32-G34 PolarHBondContact O-N 3.45Å; R32-G34 VanDerWaalsContact O-N 3.15Å; G34-K36 PolarHBondContact O-N 2.98Å
35	E	69.3	Low	82.9	Confident	116 Å²	116	36.4 Å²	36.4	54%	0.542	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-52.4	129.3	-179.3	-68.8	177.4	-178	0	0	112.6	G37 R38 R54	E35-G37 PolarHBondContact O-N 3.09Å; E35-R38 PolarHBondContact O-N 3.49Å; E35-R54 IonicContact OE2-CZ 3.16Å; E35-R54 IonicContact OE2-NH1 2.77Å; E35-R54 PolarHBondContact OE2-NH1 2.96Å; E35-R54 IonicContact OE2-NH2 2.68Å; E35-R54 PolarHBondContact OE2-NH2 2.85Å
36	K	73.8	Confident	82.8	Confident	135 Å²	135	36.6 Å²	36.6	59%	0.587	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	132.9	175.3	-70.9	-164	176.5	-170.5	0	110.8	T30 G34 L370 C372 K378	T30-K36 HydrophobicContact CG2-CG 3.83Å; G34-K36 PolarHBondContact O-N 2.98Å; K36-L370 HydrophobicContact CB-CD2 4.04Å; K36-C372 PolarHBondContact O-SG 3.42Å; K36-C372 VanDerWaalsContact O-SG 3.38Å; K36-K378 PolarHBondContact O-NZ 3.44Å
37	G	74.9	Confident	82.8	Confident	9 Å²	9	37.9 Å²	37.9	9%	0.093	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	24.3	177.8	0	0	0	0	0	115.4	E35 L370 K378	E35-G37 PolarHBondContact O-N 3.09Å; G37-L370 VanDerWaalsContact N-CD2 3.35Å; G37-K378 WeakPolarHBondContact O-CD 3.31Å; G37-K378 PolarHBondContact O-NZ 3.21Å
38	R	85.5	Confident	83	Confident	61 Å²	61	37.7 Å²	37.7	23%	0.23	20%	0.196	C	C	.	.	S	Bend	trans	-93.6	-42	169.7	179.3	176.2	176.9	-178.1	-6.3	112.8	E35 D52 V53	E35-R38 PolarHBondContact O-N 3.49Å; R38-D52 VanDerWaalsContact CG-OD1 3.31Å; R38-D52 WeakPolarHBondContact CG-OD1 3.35Å; R38-D52 IonicContact CZ-OD1 3.98Å; R38-D52 IonicContact CZ-OD2 3.29Å; R38-D52 VanDerWaalsContact CZ-OD2 3.29Å; R38-D52 IonicContact NE-OD1 3.06Å; R38-D52 PolarHBondContact NE-OD1 2.84Å; R38-D52 IonicContact NE-OD2 3.09Å; R38-D52 PolarHBondContact NE-OD2 2.78Å; R38-D52 VanDerWaalsContact NE-OD2 3.09Å; R38-D52 IonicContact NH2-OD2 2.7Å; R38-D52 PolarHBondContact NH2-OD2 3.47Å; R38-V53 WeakPolarHBondContact O-CB 3.33Å; R38-V53 WeakPolarHBondContact O-CG2 3.37Å; R38-V53 PolarHBondContact O-N 2.84Å; R38-V53 VanDerWaalsContact O-N 3.1Å
39	Y	90.4	Very high	83.1	Confident	32 Å²	32	37 Å²	37	13%	0.125	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	141.3	-176.3	-52.4	-76.8	0	0	0	111	V29 L31 W51 D52 V59	V29-Y39 PolarHBondContact N-O 3.31Å; V29-Y39 WeakPolarHBondContact O-CB 3.35Å; L31-Y39 HydrophobicContact CB-CD2 3.8Å; L31-Y39 HydrophobicContact CB-CE2 3.82Å; L31-Y39 HydrophobicContact CB-CG 4.35Å; L31-Y39 HydrophobicContact CD1-CD1 4Å; L31-Y39 HydrophobicContact CD1-CD2 4.23Å; L31-Y39 HydrophobicContact CD1-CE1 4.35Å; L31-Y39 HydrophobicContact CD1-CG 3.92Å; L31-Y39 HydrophobicContact CG-CD2 4.2Å; L31-Y39 HydrophobicContact CG-CG 4.28Å; Y39-W51 WeakPolarHBondContact CA-O 3.39Å; Y39-D52 HydrophobicContact CD1-CB 4.07Å; Y39-D52 HydrophobicContact CE1-CB 3.96Å; Y39-V59 HydrophobicContact CD1-CG2 4.22Å; Y39-V59 HydrophobicContact CE1-CG2 4.03Å
40	V	90.8	Very high	83.3	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.8	-179.7	178.5	0	0	0	0	108.8	I26 Y28 V42 W51 V53 A380	I26-V40 HydrophobicContact CD1-CG1 3.45Å; I26-V40 VanDerWaalsContact CD1-CG1 3.45Å; I26-V40 HydrophobicContact CG1-CG1 3.27Å; Y28-V40 HydrophobicContact CD1-CG2 3.61Å; Y28-V40 HydrophobicContact CE1-CG2 3.48Å; Y28-V40 VanDerWaalsContact CE1-CG2 3.48Å; V40-V42 HydrophobicContact CG1-CG2 3.93Å; V40-W51 PolarHBondContact N-O 3.27Å; V40-W51 PolarHBondContact O-N 3.24Å; V40-V53 HydrophobicContact CB-CG2 4.05Å; V40-V53 HydrophobicContact CG2-CG2 3.44Å; V40-V53 VanDerWaalsContact CG2-CG2 3.44Å; V40-A380 HydrophobicContact CG1-CB 4.43Å; V40-A380 HydrophobicContact CG2-CB 4.26Å
41	A	92.3	Very high	83.7	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	131	172.3	0	0	0	0	0	109.8	A27 V29 V48 I50 L72	A27-A41 PolarHBondContact N-O 3.48Å; A27-A41 VanDerWaalsContact N-O 3.14Å; A27-A41 PolarHBondContact O-N 2.93Å; V29-A41 HydrophobicContact CG2-CB 3.55Å; A41-V48 HydrophobicContact CB-CG1 4.19Å; A41-I50 HydrophobicContact CB-CG1 4.43Å; A41-L72 HydrophobicContact CB-CD1 4.43Å
42	V	92	Very high	84.3	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.4	-178.9	-165.9	0	0	0	0	108.2	I19 I26 V40 F49 L382 V388	I19-V42 WeakPolarHBondContact O-CG1 3.44Å; I26-V42 HydrophobicContact CD1-CG2 3.94Å; I26-V42 HydrophobicContact CG1-CG2 4.09Å; V40-V42 HydrophobicContact CG1-CG2 3.93Å; V42-F49 PolarHBondContact N-O 2.91Å; V42-F49 PolarHBondContact O-N 2.77Å; V42-L382 HydrophobicContact CG1-CD1 3.96Å; V42-L382 HydrophobicContact CG1-CD2 4.39Å; V42-V388 HydrophobicContact CG1-CG2 4.46Å; V42-V388 HydrophobicContact CG2-CG2 4.06Å
43	A	91.3	Very high	85.3	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.008	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	141.4	172.6	0	0	0	0	0	111.5	G20 S21 A24 V69 L72	G20-A43 CarbonylContact C-O 3.48Å; G20-A43 VanDerWaalsContact CA-O 3.3Å; G20-A43 WeakPolarHBondContact CA-O 3.23Å; S21-A43 PolarHBondContact N-O 3.35Å; A24-A43 HydrophobicContact CB-CB 3.2Å; A43-V69 HydrophobicContact CB-CB 3.79Å; A43-V69 HydrophobicContact CB-CG1 3.78Å; A43-L72 HydrophobicContact CB-CD1 4.46Å
44	A	89.1	Confident	86.4	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	86.2	174.6	0	0	0	0	0	109	V18 E46 H47 F49	V18-A44 HydrophobicContact CB-CB 4.21Å; V18-A44 HydrophobicContact CG1-CB 3.92Å; A44-E46 PolarHBondContact O-N 3.3Å; A44-H47 CarbonylContact C-O 3.52Å; A44-H47 PolarHBondContact N-O 3.35Å; A44-H47 PolarHBondContact O-N 2.85Å; A44-F49 HydrophobicContact CB-CD1 4.24Å; A44-F49 HydrophobicContact CB-CD2 3.37Å; A44-F49 HydrophobicContact CB-CE1 4.17Å; A44-F49 HydrophobicContact CB-CE2 3.27Å; A44-F49 HydrophobicContact CB-CG 3.88Å; A44-F49 HydrophobicContact CB-CZ 3.7Å
45	C	88.8	Confident	87.4	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.007	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	-117.5	-171.4	-55.2	0	0	0	0	111	E68 V69 D696	C45-E68 WeakPolarHBondContact O-CA 3.43Å; C45-V69 PolarHBondContact O-N 3.44Å; C45-D696 PolarHBondContact SG-OD2 3.34Å; C45-D696 VanDerWaalsContact SG-OD2 3.38Å
46	E	90.5	Very high	88.1	Confident	11 Å²	11	29.7 Å²	29.7	5%	0.051	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-21	175.3	65.3	-99.1	-151.6	0	0	114.4	A44 G64 H67 V69 H675 R700	A44-E46 PolarHBondContact O-N 3.3Å; E46-G64 VanDerWaalsContact O-CA 3.22Å; E46-G64 WeakPolarHBondContact O-CA 3.33Å; E46-G64 PolarHBondContact O-N 2.88Å; E46-H67 VanDerWaalsContact CA-O 3.27Å; E46-H67 WeakPolarHBondContact CA-O 3.31Å; E46-H67 VanDerWaalsContact CB-O 3.25Å; E46-H67 WeakPolarHBondContact CB-O 3.3Å; E46-V69 WeakPolarHBondContact O-CG2 3.43Å; E46-H675 IonicContact OE2-CE1 2.69Å; E46-H675 PolarHBondContact OE2-CE1 2.98Å; E46-H675 IonicContact OE2-ND1 3.16Å; E46-R700 IonicContact OE1-CZ 3.08Å; E46-R700 IonicContact OE1-NH1 3.01Å; E46-R700 PolarHBondContact OE1-NH1 3.03Å; E46-R700 IonicContact OE1-NH2 3.74Å; E46-R700 PolarHBondContact OE1-NH2 2.74Å; E46-R700 IonicContact OE2-CZ 3.44Å; E46-R700 IonicContact OE2-NH1 3.55Å; E46-R700 IonicContact OE2-NH2 2.84Å; E46-R700 PolarHBondContact OE2-NH2 3.08Å
47	H	91.6	Very high	88.6	Confident	28 Å²	28	28.5 Å²	28.5	13%	0.13	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	163.4	-174.6	-55.2	-39.9	0	0	0	111.8	A44 F49 I61 L62 G64	A44-H47 CarbonylContact C-O 3.52Å; A44-H47 PolarHBondContact N-O 3.35Å; A44-H47 PolarHBondContact O-N 2.85Å; H47-F49 HydrophobicContact CB-CD1 4.44Å; H47-F49 HydrophobicContact CB-CE1 3.96Å; H47-I61 HydrophobicContact CB-CG2 4.28Å; H47-L62 WeakPolarHBondContact CA-O 3.29Å; H47-G64 PolarHBondContact CE1-O 3.17Å; H47-G64 VanDerWaalsContact CE1-O 3.28Å; H47-G64 PolarHBondContact ND1-N 3.01Å; H47-G64 VanDerWaalsContact ND1-N 3.19Å; H47-G64 PolarHBondContact ND1-O 3.44Å
48	V	92.6	Very high	89.3	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.8	168.9	-173	0	0	0	0	108.9	A41 L62 V69 L72 V83	A41-V48 HydrophobicContact CB-CG1 4.19Å; V48-L62 HydrophobicContact CB-CB 4.05Å; V48-L62 HydrophobicContact CB-CD1 4.12Å; V48-L62 HydrophobicContact CB-CG 4.39Å; V48-L62 HydrophobicContact CG1-CD1 4.39Å; V48-L62 PolarHBondContact N-O 3.45Å; V48-L62 PolarHBondContact O-N 2.83Å; V48-V69 HydrophobicContact CG2-CG1 4.38Å; V48-V69 HydrophobicContact CG2-CG2 3.97Å; V48-L72 HydrophobicContact CB-CD2 4.44Å; V48-L72 HydrophobicContact CG1-CD1 3.87Å; V48-L72 HydrophobicContact CG1-CD2 3.93Å; V48-L72 HydrophobicContact CG2-CD2 3.62Å; V48-V83 HydrophobicContact CG2-CG1 3.87Å; V48-V83 HydrophobicContact CG2-CG2 3.98Å
49	F	92.1	Very high	89.4	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.009	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.6	176.9	-64.9	-17.8	0	0	0	110.1	V18 V42 A44 H47 W51 K58 I61	V18-F49 WeakPolarHBondContact O-CE2 3.26Å; V42-F49 PolarHBondContact N-O 2.91Å; V42-F49 PolarHBondContact O-N 2.77Å; A44-F49 HydrophobicContact CB-CD1 4.24Å; A44-F49 HydrophobicContact CB-CD2 3.37Å; A44-F49 HydrophobicContact CB-CE1 4.17Å; A44-F49 HydrophobicContact CB-CE2 3.27Å; A44-F49 HydrophobicContact CB-CG 3.88Å; A44-F49 HydrophobicContact CB-CZ 3.7Å; H47-F49 HydrophobicContact CB-CD1 4.44Å; H47-F49 HydrophobicContact CB-CE1 3.96Å; F49-W51 HydrophobicContact CD2-CZ2 4.33Å; F49-K58 HydrophobicContact CD2-CD 4.36Å; F49-K58 VanDerWaalsContact CE2-NZ 3.32Å; F49-I61 HydrophobicContact CD1-CB 4.26Å; F49-I61 HydrophobicContact CD1-CD1 4.43Å; F49-I61 HydrophobicContact CD1-CG1 3.81Å; F49-I61 HydrophobicContact CD1-CG2 3.9Å; F49-I61 HydrophobicContact CE1-CB 4.37Å; F49-I61 HydrophobicContact CE1-CD1 4.1Å; F49-I61 HydrophobicContact CE1-CG1 3.94Å; F49-I61 HydrophobicContact CE1-CG2 3.69Å
50	I	92.3	Very high	89.3	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	114.8	170.3	-49.9	-175.1	0	0	0	108.6	L31 A41 V59 L60 L95	L31-I50 HydrophobicContact CD1-CG2 3.76Å; L31-I50 HydrophobicContact CD2-CD1 4.39Å; A41-I50 HydrophobicContact CB-CG1 4.43Å; I50-V59 PolarHBondContact O-N 3.27Å; I50-L60 HydrophobicContact CB-CB 4.24Å; I50-L60 HydrophobicContact CD1-CB 4.13Å; I50-L60 HydrophobicContact CD1-CD2 3.93Å; I50-L60 HydrophobicContact CD1-CG 4.48Å; I50-L60 HydrophobicContact CG1-CB 4.32Å; I50-L60 PolarHBondContact N-O 2.84Å; I50-L95 HydrophobicContact CD1-CD2 3.44Å; I50-L95 VanDerWaalsContact CD1-CD2 3.44Å
51	W	90.9	Very high	89.3	Confident	10 Å²	10	36.6 Å²	36.6	4%	0.038	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.9	-178.6	-68.2	92.8	0	0	0	111.1	I19 Y39 V40 F49 V53 G56 K58 L408	I19-W51 HydrophobicContact CB-CZ2 4.37Å; I19-W51 HydrophobicContact CG1-CZ2 4.32Å; I19-W51 HydrophobicContact CG2-CZ2 4.13Å; I19-W51 PolarHBondContact O-NE1 3.49Å; Y39-W51 WeakPolarHBondContact CA-O 3.39Å; V40-W51 PolarHBondContact N-O 3.27Å; V40-W51 PolarHBondContact O-N 3.24Å; F49-W51 HydrophobicContact CD2-CZ2 4.33Å; W51-V53 PolarHBondContact O-N 3.05Å; W51-G56 WeakPolarHBondContact CZ3-O 3.37Å; W51-K58 HydrophobicContact CD2-CG 4.09Å; W51-K58 HydrophobicContact CE3-CG 3.82Å; W51-K58 HydrophobicContact CH2-CD 3.97Å; W51-K58 HydrophobicContact CH2-CG 3.41Å; W51-K58 VanDerWaalsContact CH2-CG 3.41Å; W51-K58 HydrophobicContact CZ2-CD 4.08Å; W51-K58 HydrophobicContact CZ2-CG 3.68Å; W51-K58 HydrophobicContact CZ3-CD 4.49Å; W51-K58 HydrophobicContact CZ3-CG 3.47Å; W51-K58 VanDerWaalsContact CZ3-CG 3.47Å; W51-L408 HydrophobicContact CB-CD1 3.77Å; W51-L408 HydrophobicContact CD2-CD1 3.98Å; W51-L408 HydrophobicContact CE3-CD1 4.19Å; W51-L408 HydrophobicContact CG-CD1 3.82Å
52	D	90.2	Very high	89.2	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	109.4	161.4	-174.7	-7	0	0	0	108.6	R38 Y39 R54 K55 G56 E57 V59	R38-D52 VanDerWaalsContact CG-OD1 3.31Å; R38-D52 WeakPolarHBondContact CG-OD1 3.35Å; R38-D52 IonicContact CZ-OD1 3.98Å; R38-D52 IonicContact CZ-OD2 3.29Å; R38-D52 VanDerWaalsContact CZ-OD2 3.29Å; R38-D52 IonicContact NE-OD1 3.06Å; R38-D52 PolarHBondContact NE-OD1 2.84Å; R38-D52 IonicContact NE-OD2 3.09Å; R38-D52 PolarHBondContact NE-OD2 2.78Å; R38-D52 VanDerWaalsContact NE-OD2 3.09Å; R38-D52 IonicContact NH2-OD2 2.7Å; R38-D52 PolarHBondContact NH2-OD2 3.47Å; Y39-D52 HydrophobicContact CD1-CB 4.07Å; Y39-D52 HydrophobicContact CE1-CB 3.96Å; D52-R54 PolarHBondContact O-N 3.43Å; D52-R54 PolarHBondContact OD1-N 3.44Å; D52-R54 VanDerWaalsContact OD1-N 3.11Å; D52-K55 HydrophobicContact CB-CB 4.4Å; D52-K55 PolarHBondContact O-N 3.32Å; D52-G56 WeakPolarHBondContact O-CA 3.35Å; D52-G56 PolarHBondContact O-N 2.77Å; D52-E57 PolarHBondContact N-O 3.47Å; D52-V59 HydrophobicContact CB-CG2 3.74Å
53	V	86.2	Confident	88.9	Confident	14 Å²	14	43.5 Å²	43.5	9%	0.085	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-28.9	-175.4	176.2	0	0	0	0	112.1	R38 V40 W51 T390 A406	R38-V53 WeakPolarHBondContact O-CB 3.33Å; R38-V53 WeakPolarHBondContact O-CG2 3.37Å; R38-V53 PolarHBondContact O-N 2.84Å; R38-V53 VanDerWaalsContact O-N 3.1Å; V40-V53 HydrophobicContact CB-CG2 4.05Å; V40-V53 HydrophobicContact CG2-CG2 3.44Å; V40-V53 VanDerWaalsContact CG2-CG2 3.44Å; W51-V53 PolarHBondContact O-N 3.05Å; V53-T390 HydrophobicContact CB-CG2 4.5Å; V53-T390 HydrophobicContact CG1-CG2 3.57Å; V53-T390 WeakPolarHBondContact CG1-OG1 3.42Å; V53-T390 HydrophobicContact CG2-CG2 4.06Å; V53-A406 HydrophobicContact CG1-CB 3.48Å; V53-A406 VanDerWaalsContact CG1-CB 3.48Å; V53-A406 WeakPolarHBondContact O-CB 3.5Å
54	R	85.8	Confident	88.4	Confident	146 Å²	146	43.8 Å²	43.8	55%	0.551	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-41	-178.9	-70.4	-176.1	175.1	155.3	4.7	112.3	E35 D52	E35-R54 IonicContact OE2-CZ 3.16Å; E35-R54 IonicContact OE2-NH1 2.77Å; E35-R54 PolarHBondContact OE2-NH1 2.96Å; E35-R54 IonicContact OE2-NH2 2.68Å; E35-R54 PolarHBondContact OE2-NH2 2.85Å; D52-R54 PolarHBondContact O-N 3.43Å; D52-R54 PolarHBondContact OD1-N 3.44Å; D52-R54 VanDerWaalsContact OD1-N 3.11Å
55	K	85.2	Confident	87.8	Confident	137 Å²	137	50 Å²	50	60%	0.596	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-26.4	-178.3	-67.2	-174.5	173.3	-170.4	0	113	D52 E57	D52-K55 HydrophobicContact CB-CB 4.4Å; D52-K55 PolarHBondContact O-N 3.32Å; K55-E57 VanDerWaalsContact C-N 3.3Å; K55-E57 HydrophobicContact CB-CB 4.36Å; K55-E57 HydrophobicContact CB-CG 4.21Å
56	G	83.1	Confident	87.4	Confident	31 Å²	31	56.4 Å²	56.4	32%	0.32	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	23.1	-172.2	0	0	0	0	0	114	W51 D52 L408	W51-G56 WeakPolarHBondContact CZ3-O 3.37Å; D52-G56 WeakPolarHBondContact O-CA 3.35Å; D52-G56 PolarHBondContact O-N 2.77Å; G56-L408 VanDerWaalsContact CA-CD2 3.48Å
57	E	85.9	Confident	87.2	Confident	111 Å²	111	59.9 Å²	59.9	52%	0.519	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	152.5	-178.9	-67	177.7	160.7	0	0	111.3	D52 K55	D52-E57 PolarHBondContact N-O 3.47Å; K55-E57 VanDerWaalsContact C-N 3.3Å; K55-E57 HydrophobicContact CB-CB 4.36Å; K55-E57 HydrophobicContact CB-CG 4.21Å
58	K	88.1	Confident	87.1	Confident	76 Å²	76	58.8 Å²	58.8	33%	0.33	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	124.3	172.2	-59.5	-178.6	-176.4	-176.2	0	108.6	F49 W51	F49-K58 HydrophobicContact CD2-CD 4.36Å; F49-K58 VanDerWaalsContact CE2-NZ 3.32Å; W51-K58 HydrophobicContact CD2-CG 4.09Å; W51-K58 HydrophobicContact CE3-CG 3.82Å; W51-K58 HydrophobicContact CH2-CD 3.97Å; W51-K58 HydrophobicContact CH2-CG 3.41Å; W51-K58 VanDerWaalsContact CH2-CG 3.41Å; W51-K58 HydrophobicContact CZ2-CD 4.08Å; W51-K58 HydrophobicContact CZ2-CG 3.68Å; W51-K58 HydrophobicContact CZ3-CD 4.49Å; W51-K58 HydrophobicContact CZ3-CG 3.47Å; W51-K58 VanDerWaalsContact CZ3-CG 3.47Å
59	V	88.8	Confident	87.1	Confident	76 Å²	76	58.8 Å²	58.8	46%	0.461	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-44.5	-179.3	-179.8	0	0	0	0	111.2	L31 Y39 I50 D52	L31-V59 HydrophobicContact CD1-CG1 4.09Å; Y39-V59 HydrophobicContact CD1-CG2 4.22Å; Y39-V59 HydrophobicContact CE1-CG2 4.03Å; I50-V59 PolarHBondContact O-N 3.27Å; D52-V59 HydrophobicContact CB-CG2 3.74Å
60	L	88.4	Confident	87.1	Confident	42 Å²	42	59.5 Å²	59.5	22%	0.22	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	142	-177.1	-172.3	66	0	0	0	109.7	I50 L62	I50-L60 HydrophobicContact CB-CB 4.24Å; I50-L60 HydrophobicContact CD1-CB 4.13Å; I50-L60 HydrophobicContact CD1-CD2 3.93Å; I50-L60 HydrophobicContact CD1-CG 4.48Å; I50-L60 HydrophobicContact CG1-CB 4.32Å; I50-L60 PolarHBondContact N-O 2.84Å; L60-L62 HydrophobicContact CD2-CD2 3.75Å; L60-L62 HydrophobicContact CG-CD2 4.15Å
61	I	90.5	Very high	87.1	Confident	77 Å²	77	60.8 Å²	60.8	40%	0.395	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	115.4	172.8	-60.3	175.2	0	0	0	106.9	H47 F49 Q63	H47-I61 HydrophobicContact CB-CG2 4.28Å; F49-I61 HydrophobicContact CD1-CB 4.26Å; F49-I61 HydrophobicContact CD1-CD1 4.43Å; F49-I61 HydrophobicContact CD1-CG1 3.81Å; F49-I61 HydrophobicContact CD1-CG2 3.9Å; F49-I61 HydrophobicContact CE1-CB 4.37Å; F49-I61 HydrophobicContact CE1-CD1 4.1Å; F49-I61 HydrophobicContact CE1-CG1 3.94Å; F49-I61 HydrophobicContact CE1-CG2 3.69Å; I61-Q63 HydrophobicContact CG2-CG 4.17Å
62	L	90	Very high	87.2	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	110.3	169.5	-52.8	177	0	0	0	107.3	H47 V48 L60 G64 F93	H47-L62 WeakPolarHBondContact CA-O 3.29Å; V48-L62 HydrophobicContact CB-CB 4.05Å; V48-L62 HydrophobicContact CB-CD1 4.12Å; V48-L62 HydrophobicContact CB-CG 4.39Å; V48-L62 HydrophobicContact CG1-CD1 4.39Å; V48-L62 PolarHBondContact N-O 3.45Å; V48-L62 PolarHBondContact O-N 2.83Å; L60-L62 HydrophobicContact CD2-CD2 3.75Å; L60-L62 HydrophobicContact CG-CD2 4.15Å; L62-G64 PolarHBondContact O-N 2.9Å; L62-F93 HydrophobicContact CB-CD1 4.01Å; L62-F93 HydrophobicContact CB-CE1 4.12Å; L62-F93 HydrophobicContact CB-CG 4.23Å; L62-F93 HydrophobicContact CB-CZ 4.43Å; L62-F93 HydrophobicContact CD1-CB 3.84Å; L62-F93 HydrophobicContact CD1-CD2 4.32Å; L62-F93 HydrophobicContact CD1-CG 3.99Å; L62-F93 HydrophobicContact CD2-CB 4.1Å; L62-F93 HydrophobicContact CD2-CD1 4.07Å; L62-F93 HydrophobicContact CD2-CG 4.25Å; L62-F93 HydrophobicContact CG-CB 4.47Å; L62-F93 HydrophobicContact CG-CD1 4.43Å; L62-F93 HydrophobicContact CG-CG 4.39Å
63	Q	86.6	Confident	87.3	Confident	144 Å²	144	60.7 Å²	60.7	67%	0.673	29%	0.294	S	S	*	.			trans	-79.4	106	-175.9	-68.6	-177.8	-16.4	0	0	110.6	I61	I61-Q63 HydrophobicContact CG2-CG 4.17Å
64	G	79.7	Confident	87.6	Confident	8 Å²	8	62.1 Å²	62.1	8%	0.082	30%	0.303	C	S	.	.			trans	-79.2	169.6	160.2	0	0	0	0	0	112.8	E46 H47 L62 Y85	E46-G64 VanDerWaalsContact O-CA 3.22Å; E46-G64 WeakPolarHBondContact O-CA 3.33Å; E46-G64 PolarHBondContact O-N 2.88Å; H47-G64 PolarHBondContact CE1-O 3.17Å; H47-G64 VanDerWaalsContact CE1-O 3.28Å; H47-G64 PolarHBondContact ND1-N 3.01Å; H47-G64 VanDerWaalsContact ND1-N 3.19Å; H47-G64 PolarHBondContact ND1-O 3.44Å; L62-G64 PolarHBondContact O-N 2.9Å; G64-Y85 WeakPolarHBondContact CA-OH 3.33Å
65	Q	76.8	Confident	87.7	Confident	130 Å²	130	55.6 Å²	55.6	61%	0.607	28%	0.28	S	S	*	.			trans	-94	-79.2	-171.9	-81.4	175.5	-5.5	0	0	113.4
66	K	79.6	Confident	87.6	Confident	136 Å²	136	52.5 Å²	52.5	59%	0.591	27%	0.274	S	S	*	.	S	Bend	trans	-121.7	-41.7	-167.2	-68.4	-174	179.4	-177.4	0	113.9	H675	K66-H675 PolarHBondContact O-CE1 3.35Å; K66-H675 PolarHBondContact O-NE2 3.21Å
67	H	86.8	Confident	87.5	Confident	83 Å²	83	55.9 Å²	55.9	38%	0.384	29%	0.285	S	S	.	.	S	Bend	trans	-94.5	153.3	-174.8	-62.9	-69.6	0	0	0	111.5	E46 Y85 D87 H675	E46-H67 VanDerWaalsContact CA-O 3.27Å; E46-H67 WeakPolarHBondContact CA-O 3.31Å; E46-H67 VanDerWaalsContact CB-O 3.25Å; E46-H67 WeakPolarHBondContact CB-O 3.3Å; H67-Y85 VanDerWaalsContact O-CD1 3.23Å; H67-Y85 WeakPolarHBondContact O-CD1 3.43Å; H67-D87 HydrophobicContact CB-CB 4.4Å; H67-D87 IonicContact CD2-OD2 2.89Å; H67-D87 PolarHBondContact CD2-OD2 3.44Å; H67-D87 IonicContact CG-OD2 3.65Å; H67-D87 IonicContact NE2-OD2 3.92Å; H67-H675 VanDerWaalsContact C-NE2 3.3Å
68	E	89.5	Confident	87.3	Confident	6 Å²	6	51.3 Å²	51.3	3%	0.028	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-74.2	148.1	178.8	48.8	159.7	-128.6	0	0	111.2	R23 C45 Y85 E86 H675	R23-E68 VanDerWaalsContact CD-CD 3.42Å; R23-E68 WeakPolarHBondContact CD-OE1 3.35Å; R23-E68 VanDerWaalsContact CD-OE2 3.31Å; R23-E68 WeakPolarHBondContact CD-OE2 3.32Å; R23-E68 IonicContact CZ-OE1 2.82Å; R23-E68 IonicContact CZ-OE2 3.6Å; R23-E68 IonicContact NE-OE1 2.67Å; R23-E68 IonicContact NE-OE2 3.26Å; R23-E68 IonicContact NH1-OE1 2.73Å; R23-E68 PolarHBondContact NH1-OE1 2.93Å; R23-E68 IonicContact NH1-OE2 3.74Å; R23-E68 PolarHBondContact NH1-OE2 3.36Å; C45-E68 WeakPolarHBondContact O-CA 3.43Å; E68-Y85 WeakPolarHBondContact O-CA 3.45Å; E68-E86 HydrophobicContact CG-CB 3.88Å; E68-E86 WeakPolarHBondContact CG-OE2 3.41Å; E68-E86 PolarHBondContact O-N 2.85Å; E68-H675 WeakPolarHBondContact CB-CD2 3.44Å; E68-H675 PolarHBondContact N-CD2 2.77Å; E68-H675 PolarHBondContact N-NE2 2.97Å
69	V	92.9	Very high	87.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	127.9	175	175	0	0	0	0	109.2	A24 A43 C45 E46 V48 L72 V83 G84 Y85	A24-V69 HydrophobicContact CB-CG1 4.38Å; A24-V69 WeakPolarHBondContact CB-O 3.46Å; A43-V69 HydrophobicContact CB-CB 3.79Å; A43-V69 HydrophobicContact CB-CG1 3.78Å; C45-V69 PolarHBondContact O-N 3.44Å; E46-V69 WeakPolarHBondContact O-CG2 3.43Å; V48-V69 HydrophobicContact CG2-CG1 4.38Å; V48-V69 HydrophobicContact CG2-CG2 3.97Å; V69-L72 HydrophobicContact CG1-CD2 3.75Å; V69-L72 HydrophobicContact CG1-CG 4.15Å; V69-V83 HydrophobicContact CB-CG1 4.19Å; V69-V83 HydrophobicContact CG1-CG1 3.59Å; V69-V83 HydrophobicContact CG2-CG1 3.57Å; V69-G84 CarbonylContact C-O 3.55Å; V69-G84 WeakPolarHBondContact CA-O 3.47Å; V69-Y85 HydrophobicContact CG2-CD1 3.98Å; V69-Y85 HydrophobicContact CG2-CE1 3.62Å
70	S	91.3	Very high	87.3	Confident	17 Å²	17	49.2 Å²	49.2	12%	0.119	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-32	179.2	62.8	0	0	0	0	112.9	A24 G84 Y85 V111	A24-S70 WeakPolarHBondContact CA-O 3.23Å; S70-G84 PolarHBondContact N-O 2.78Å; S70-G84 PolarHBondContact OG-O 3.45Å; S70-Y85 PolarHBondContact OG-O 2.86Å; S70-V111 WeakPolarHBondContact CB-O 3.26Å; S70-V111 PolarHBondContact OG-O 3.45Å
71	F	92.8	Very high	87.4	Confident	27 Å²	27	47.3 Å²	47.3	12%	0.118	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	147.1	-177.8	-151.7	-93.3	0	0	0	112.3	N25 G84 T112 M114 W366	N25-F71 HydrophobicContact CB-CD2 4.35Å; N25-F71 HydrophobicContact CB-CE2 4.22Å; N25-F71 VanDerWaalsContact ND2-CE1 3.33Å; N25-F71 WeakPolarHBondContact ND2-CE1 3.47Å; N25-F71 VanDerWaalsContact ND2-CZ 3.32Å; N25-F71 WeakPolarHBondContact ND2-CZ 3.33Å; F71-G84 PolarHBondContact N-O 2.97Å; F71-G84 PolarHBondContact O-N 2.9Å; F71-T112 WeakPolarHBondContact CD2-O 3.4Å; F71-T112 WeakPolarHBondContact CE2-O 3.47Å; F71-M114 HydrophobicContact CB-SD 4.29Å; F71-M114 HydrophobicContact CD1-CB 3.83Å; F71-M114 HydrophobicContact CD1-CG 4.09Å; F71-M114 HydrophobicContact CD1-SD 4.42Å; F71-M114 HydrophobicContact CE1-CB 4.2Å; F71-W366 AromaticContact CE2-CH2 3.82Å; F71-W366 HydrophobicContact CE2-CH2 3.82Å; F71-W366 HydrophobicContact CE2-CZ2 4Å; F71-W366 HydrophobicContact CE2-CZ3 4.48Å; F71-W366 HydrophobicContact CZ-CH2 4.26Å; F71-W366 HydrophobicContact CZ-CZ2 4.09Å
72	L	93.6	Very high	87.5	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	135.7	178.7	-60.5	172.7	0	0	0	109.5	N25 A41 A43 V48 V69 V83	N25-L72 PolarHBondContact ND2-O 3.25Å; N25-L72 WeakPolarHBondContact OD1-CA 3.23Å; N25-L72 VanDerWaalsContact OD1-CB 3.27Å; N25-L72 WeakPolarHBondContact OD1-CB 3.31Å; N25-L72 PolarHBondContact OD1-N 2.83Å; A41-L72 HydrophobicContact CB-CD1 4.43Å; A43-L72 HydrophobicContact CB-CD1 4.46Å; V48-L72 HydrophobicContact CB-CD2 4.44Å; V48-L72 HydrophobicContact CG1-CD1 3.87Å; V48-L72 HydrophobicContact CG1-CD2 3.93Å; V48-L72 HydrophobicContact CG2-CD2 3.62Å; V69-L72 HydrophobicContact CG1-CD2 3.75Å; V69-L72 HydrophobicContact CG1-CG 4.15Å; L72-V83 HydrophobicContact CD2-CB 4.17Å; L72-V83 HydrophobicContact CD2-CG1 3.9Å; L72-V83 HydrophobicContact CD2-CG2 3.7Å
73	C	92	Very high	87.7	Confident	10 Å²	10	43.6 Å²	43.6	7%	0.068	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	113.6	173.1	-166	0	0	0	0	109.1	A82 M114 Y116	C73-A82 PolarHBondContact N-O 3.47Å; C73-A82 PolarHBondContact O-N 2.97Å; C73-M114 HydrophobicContact CB-CB 3.99Å; C73-M114 HydrophobicContact CB-CE 4.21Å; C73-Y116 HydrophobicContact CB-CD2 4.31Å; C73-Y116 HydrophobicContact CB-CE2 4.23Å; C73-Y116 WeakPolarHBondContact O-CE2 3.47Å; C73-Y116 VanDerWaalsContact SG-CD2 3.57Å
74	P	91.4	Very high	88	Confident	44 Å²	44	36.7 Å²	36.7	29%	0.286	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	143.5	172.2	30.7	-32.5	0	0	0	110.6	A27 V29 V81	A27-P74 HydrophobicContact CB-CG 4.11Å; V29-P74 HydrophobicContact CG2-CB 4.36Å; P74-V81 HydrophobicContact CB-CG2 4.32Å
75	S	88.8	Confident	88.6	Confident	8 Å²	8	36.6 Å²	36.6	6%	0.056	19%	0.193	C	C	.	.			trans	-69.9	149	175.5	79.4	0	0	0	0	110.9	D77 G78 H80	S75-D77 PolarHBondContact O-N 3.34Å; S75-G78 PolarHBondContact O-N 3.22Å; S75-G78 PolarHBondContact OG-N 2.9Å; S75-H80 WeakPolarHBondContact CB-O 3.39Å; S75-H80 PolarHBondContact N-O 3.2Å; S75-H80 PolarHBondContact OG-N 3.49Å; S75-H80 VanDerWaalsContact OG-N 3.16Å; S75-H80 PolarHBondContact OG-O 2.84Å
76	P	83.6	Confident	89.2	Confident	73 Å²	73	32.8 Å²	32.8	47%	0.474	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-30.7	175	-25.2	34.2	0	0	0	113.4	G78 D117	P76-G78 PolarHBondContact O-N 2.84Å; P76-D117 WeakPolarHBondContact CG-O 3.3Å
77	D	80.9	Confident	89.5	Confident	102 Å²	102	28.7 Å²	28.7	55%	0.545	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-17.2	179.1	-51.5	-39.1	0	0	0	113.1	S75 V79	S75-D77 PolarHBondContact O-N 3.34Å; D77-V79 PolarHBondContact O-N 3.37Å
78	G	81.4	Confident	89.5	Confident	14 Å²	14	24.7 Å²	24.7	14%	0.144	14%	0.141	C	C	.	.	S	Bend	trans	72.6	12.8	-179.4	0	0	0	0	0	114.8	T30 S75 P76 L95	T30-G78 VanDerWaalsContact O-O 3.1Å; T30-G78 WeakPolarHBondContact OG1-CA 3.48Å; S75-G78 PolarHBondContact O-N 3.22Å; S75-G78 PolarHBondContact OG-N 2.9Å; P76-G78 PolarHBondContact O-N 2.84Å; G78-L95 WeakPolarHBondContact O-CD1 3.43Å
79	V	86.5	Confident	89.5	Confident	52 Å²	52	25.3 Å²	25.3	32%	0.315	14%	0.144	S	C	.	.	S	Bend	trans	-99.1	-34.4	178	-179	0	0	0	0	111.7	D77 N94 L95 L96	D77-V79 PolarHBondContact O-N 3.37Å; V79-N94 PolarHBondContact O-OD1 3.35Å; V79-L95 VanDerWaalsContact O-CB 3.29Å; V79-L95 WeakPolarHBondContact O-CB 3.36Å; V79-L95 WeakPolarHBondContact O-CG 3.38Å; V79-L95 PolarHBondContact O-N 2.83Å; V79-L96 HydrophobicContact CG1-CD1 4.49Å
80	H	89.5	Confident	89.4	Confident	57 Å²	57	25.3 Å²	25.3	26%	0.264	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	154.9	-173.6	-60.1	-65.8	0	0	0	111.6	S75 I92 F93	S75-H80 WeakPolarHBondContact CB-O 3.39Å; S75-H80 PolarHBondContact N-O 3.2Å; S75-H80 PolarHBondContact OG-N 3.49Å; S75-H80 VanDerWaalsContact OG-N 3.16Å; S75-H80 PolarHBondContact OG-O 2.84Å; H80-I92 HydrophobicContact CB-CG2 3.9Å; H80-F93 CarbonylContact C-O 3.59Å; H80-F93 VanDerWaalsContact CA-O 3.28Å; H80-F93 WeakPolarHBondContact CA-O 3.32Å
81	V	91.8	Very high	89.4	Confident	2 Å²	2	25.8 Å²	25.8	1%	0.012	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	125.4	168	175.7	0	0	0	0	108.3	V29 P74 V83 F93 L95	V29-V81 HydrophobicContact CG2-CG2 4.28Å; P74-V81 HydrophobicContact CB-CG2 4.32Å; V81-V83 HydrophobicContact CG1-CG2 4.06Å; V81-F93 PolarHBondContact N-O 3.15Å; V81-F93 PolarHBondContact O-N 3.36Å; V81-L95 HydrophobicContact CB-CD2 4.46Å; V81-L95 HydrophobicContact CG2-CD1 3.77Å; V81-L95 HydrophobicContact CG2-CD2 3.57Å; V81-L95 HydrophobicContact CG2-CG 3.76Å
82	A	92.8	Very high	89.4	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	133.2	168.3	0	0	0	0	0	110	C73 V90 R91 I92 M114 Y116 L123	C73-A82 PolarHBondContact N-O 3.47Å; C73-A82 PolarHBondContact O-N 2.97Å; A82-V90 HydrophobicContact CB-CG1 4.33Å; A82-R91 CarbonylContact C-O 3.55Å; A82-R91 WeakPolarHBondContact CA-O 3.14Å; A82-I92 HydrophobicContact CB-CG1 4.26Å; A82-M114 HydrophobicContact CB-CE 3.23Å; A82-Y116 HydrophobicContact CB-CE2 3.88Å; A82-Y116 VanDerWaalsContact CB-OH 3.3Å; A82-Y116 WeakPolarHBondContact CB-OH 3.26Å; A82-Y116 PolarHBondContact N-OH 3.3Å; A82-L123 HydrophobicContact CB-CD1 4.29Å; A82-L123 HydrophobicContact CB-CD2 3.96Å
83	V	93.4	Very high	89.3	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	115.6	-176.3	-178.7	0	0	0	0	107.7	V48 V69 L72 V81 Y85 V90 R91 F93	V48-V83 HydrophobicContact CG2-CG1 3.87Å; V48-V83 HydrophobicContact CG2-CG2 3.98Å; V69-V83 HydrophobicContact CB-CG1 4.19Å; V69-V83 HydrophobicContact CG1-CG1 3.59Å; V69-V83 HydrophobicContact CG2-CG1 3.57Å; L72-V83 HydrophobicContact CD2-CB 4.17Å; L72-V83 HydrophobicContact CD2-CG1 3.9Å; L72-V83 HydrophobicContact CD2-CG2 3.7Å; V81-V83 HydrophobicContact CG1-CG2 4.06Å; V83-Y85 HydrophobicContact CB-CE2 4.31Å; V83-Y85 HydrophobicContact CG1-CD2 4.48Å; V83-Y85 HydrophobicContact CG1-CE1 4.41Å; V83-Y85 HydrophobicContact CG1-CE2 3.87Å; V83-V90 CarbonylContact O-C 3.59Å; V83-V90 WeakPolarHBondContact O-CA 3.47Å; V83-R91 PolarHBondContact N-O 2.91Å; V83-R91 PolarHBondContact O-N 3.35Å; V83-F93 HydrophobicContact CB-CD2 4.16Å; V83-F93 HydrophobicContact CB-CE2 4.04Å; V83-F93 HydrophobicContact CG2-CD2 3.55Å; V83-F93 HydrophobicContact CG2-CE2 3.82Å
84	G	93.4	Very high	89.1	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	141.6	173.3	0	0	0	0	0	111.4	V69 S70 F71	V69-G84 CarbonylContact C-O 3.55Å; V69-G84 WeakPolarHBondContact CA-O 3.47Å; S70-G84 PolarHBondContact N-O 2.78Å; S70-G84 PolarHBondContact OG-O 3.45Å; F71-G84 PolarHBondContact N-O 2.97Å; F71-G84 PolarHBondContact O-N 2.9Å
85	Y	92.8	Very high	88.9	Confident	5 Å²	5	23.9 Å²	23.9	2%	0.02	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	165.6	-177.5	-67.1	-88.4	0	0	0	112.1	G64 H67 E68 V69 S70 V83 D87 G88 M89 R91 G110 V111	G64-Y85 WeakPolarHBondContact CA-OH 3.33Å; H67-Y85 VanDerWaalsContact O-CD1 3.23Å; H67-Y85 WeakPolarHBondContact O-CD1 3.43Å; E68-Y85 WeakPolarHBondContact O-CA 3.45Å; V69-Y85 HydrophobicContact CG2-CD1 3.98Å; V69-Y85 HydrophobicContact CG2-CE1 3.62Å; S70-Y85 PolarHBondContact OG-O 2.86Å; V83-Y85 HydrophobicContact CB-CE2 4.31Å; V83-Y85 HydrophobicContact CG1-CD2 4.48Å; V83-Y85 HydrophobicContact CG1-CE1 4.41Å; V83-Y85 HydrophobicContact CG1-CE2 3.87Å; Y85-D87 VanDerWaalsContact C-N 3.27Å; Y85-D87 WeakPolarHBondContact CB-OD1 3.48Å; Y85-D87 PolarHBondContact O-N 3.28Å; Y85-G88 PolarHBondContact O-N 3.04Å; Y85-M89 HydrophobicContact CD2-CB 4.31Å; Y85-M89 HydrophobicContact CD2-CG 4.42Å; Y85-M89 WeakPolarHBondContact CD2-O 3.43Å; Y85-M89 PolarHBondContact N-O 3.38Å; Y85-R91 HydrophobicContact CD2-CG 4.48Å; Y85-R91 HydrophobicContact CE2-CB 3.99Å; Y85-R91 HydrophobicContact CE2-CG 3.77Å; Y85-G110 WeakPolarHBondContact O-CA 3.5Å; Y85-V111 PolarHBondContact O-N 3.09Å
86	E	89.3	Confident	88.7	Confident	51 Å²	51	28.1 Å²	28.1	24%	0.238	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-19.8	180	-174.8	169.3	-144.1	0	0	114.3	R23 E68 G88 G110	R23-E86 IonicContact CZ-OE1 3.5Å; R23-E86 IonicContact CZ-OE2 3.07Å; R23-E86 IonicContact NH1-OE1 3.64Å; R23-E86 PolarHBondContact NH1-OE1 3.39Å; R23-E86 IonicContact NH1-OE2 3.38Å; R23-E86 PolarHBondContact NH1-OE2 3.4Å; R23-E86 IonicContact NH2-OE1 3.43Å; R23-E86 PolarHBondContact NH2-OE1 2.89Å; E68-E86 HydrophobicContact CG-CB 3.88Å; E68-E86 WeakPolarHBondContact CG-OE2 3.41Å; E68-E86 PolarHBondContact O-N 2.85Å; E86-G88 VanDerWaalsContact C-N 3.3Å; E86-G110 VanDerWaalsContact C-CA 3.47Å; E86-G110 WeakPolarHBondContact O-CA 3.48Å; E86-G110 PolarHBondContact O-N 3.18Å
87	D	85.3	Confident	88.8	Confident	49 Å²	49	27.3 Å²	27.3	26%	0.262	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-10.1	174	61.3	-5.6	0	0	0	113.6	H67 Y85 M89	H67-D87 HydrophobicContact CB-CB 4.4Å; H67-D87 IonicContact CD2-OD2 2.89Å; H67-D87 PolarHBondContact CD2-OD2 3.44Å; H67-D87 IonicContact CG-OD2 3.65Å; H67-D87 IonicContact NE2-OD2 3.92Å; Y85-D87 VanDerWaalsContact C-N 3.27Å; Y85-D87 WeakPolarHBondContact CB-OD1 3.48Å; Y85-D87 PolarHBondContact O-N 3.28Å; D87-M89 VanDerWaalsContact OD1-CB 3.23Å; D87-M89 WeakPolarHBondContact OD1-CB 3.45Å; D87-M89 PolarHBondContact OD1-N 3.49Å
88	G	86.4	Confident	88.8	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	94	-0.3	-174.7	0	0	0	0	0	114.5	Y85 E86 S109	Y85-G88 PolarHBondContact O-N 3.04Å; E86-G88 VanDerWaalsContact C-N 3.3Å; G88-S109 WeakPolarHBondContact CA-O 3.43Å; G88-S109 PolarHBondContact N-O 3.11Å
89	M	89	Confident	89	Confident	18 Å²	18	28.6 Å²	28.6	9%	0.089	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	141.9	173.3	-177.4	123.9	-75	0	0	110.2	Y85 D87 R91 F104 N105	Y85-M89 HydrophobicContact CD2-CB 4.31Å; Y85-M89 HydrophobicContact CD2-CG 4.42Å; Y85-M89 WeakPolarHBondContact CD2-O 3.43Å; Y85-M89 PolarHBondContact N-O 3.38Å; D87-M89 VanDerWaalsContact OD1-CB 3.23Å; D87-M89 WeakPolarHBondContact OD1-CB 3.45Å; D87-M89 PolarHBondContact OD1-N 3.49Å; M89-R91 HydrophobicContact CG-CG 4.11Å; M89-F104 WeakPolarHBondContact CA-O 3.29Å; M89-F104 VanDerWaalsContact CE-O 3.23Å; M89-F104 WeakPolarHBondContact CE-O 3.45Å; M89-N105 HydrophobicContact CE-CB 3.32Å
90	V	91.6	Very high	88.8	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.9	168.7	-179.8	0	0	0	0	109	A82 V83 S103 F104 V111 M114 L123 T125	A82-V90 HydrophobicContact CB-CG1 4.33Å; V83-V90 CarbonylContact O-C 3.59Å; V83-V90 WeakPolarHBondContact O-CA 3.47Å; V90-S103 CarbonylContact O-C 3.59Å; V90-S103 WeakPolarHBondContact O-CA 3.29Å; V90-F104 HydrophobicContact CB-CB 4.24Å; V90-F104 HydrophobicContact CB-CD2 4.42Å; V90-F104 HydrophobicContact CG1-CD2 4.38Å; V90-F104 PolarHBondContact N-O 3.48Å; V90-F104 PolarHBondContact O-N 3.01Å; V90-V111 HydrophobicContact CG2-CG1 4.45Å; V90-V111 HydrophobicContact CG2-CG2 3.77Å; V90-M114 HydrophobicContact CG1-CE 3.72Å; V90-M114 HydrophobicContact CG1-SD 4.35Å; V90-M114 HydrophobicContact CG2-SD 4.38Å; V90-L123 HydrophobicContact CG1-CD2 4.02Å; V90-T125 HydrophobicContact CG2-CG2 3.95Å
91	R	91.4	Very high	88.2	Confident	27 Å²	27	30.9 Å²	30.9	10%	0.102	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.9	175.8	-64.6	-175.5	-178	175.5	0.3	111	A82 V83 Y85 M89 F93 V102	A82-R91 CarbonylContact C-O 3.55Å; A82-R91 WeakPolarHBondContact CA-O 3.14Å; V83-R91 PolarHBondContact N-O 2.91Å; V83-R91 PolarHBondContact O-N 3.35Å; Y85-R91 HydrophobicContact CD2-CG 4.48Å; Y85-R91 HydrophobicContact CE2-CB 3.99Å; Y85-R91 HydrophobicContact CE2-CG 3.77Å; M89-R91 HydrophobicContact CG-CG 4.11Å; R91-F93 HydrophobicContact CB-CD2 4.31Å; R91-F93 HydrophobicContact CB-CE2 3.78Å; R91-F93 HydrophobicContact CB-CZ 4.39Å; R91-V102 WeakPolarHBondContact CA-O 3.36Å
92	I	91.9	Very high	87.9	Confident	5 Å²	5	31.3 Å²	31.3	3%	0.026	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.9	173.4	-59.8	179.9	0	0	0	108.4	H80 A82 S100 N101 V102 F104 I137	H80-I92 HydrophobicContact CB-CG2 3.9Å; A82-I92 HydrophobicContact CB-CG1 4.26Å; I92-S100 WeakPolarHBondContact O-CA 3.42Å; I92-N101 PolarHBondContact O-N 3.4Å; I92-N101 VanDerWaalsContact O-N 3.15Å; I92-V102 HydrophobicContact CB-CB 4.35Å; I92-V102 PolarHBondContact N-O 2.99Å; I92-F104 HydrophobicContact CD1-CE2 3.64Å; I92-F104 HydrophobicContact CD1-CZ 4.3Å; I92-F104 HydrophobicContact CG1-CE2 4.27Å; I92-I137 HydrophobicContact CD1-CB 4.36Å; I92-I137 HydrophobicContact CD1-CG1 3.81Å; I92-I137 HydrophobicContact CD1-CG2 3.78Å
93	F	91.4	Very high	87.6	Confident	2 Å²	2	32 Å²	32	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	140.6	174.8	-70.6	-89.9	0	0	0	110.5	L62 H80 V81 V83 R91 E99	L62-F93 HydrophobicContact CB-CD1 4.01Å; L62-F93 HydrophobicContact CB-CE1 4.12Å; L62-F93 HydrophobicContact CB-CG 4.23Å; L62-F93 HydrophobicContact CB-CZ 4.43Å; L62-F93 HydrophobicContact CD1-CB 3.84Å; L62-F93 HydrophobicContact CD1-CD2 4.32Å; L62-F93 HydrophobicContact CD1-CG 3.99Å; L62-F93 HydrophobicContact CD2-CB 4.1Å; L62-F93 HydrophobicContact CD2-CD1 4.07Å; L62-F93 HydrophobicContact CD2-CG 4.25Å; L62-F93 HydrophobicContact CG-CB 4.47Å; L62-F93 HydrophobicContact CG-CD1 4.43Å; L62-F93 HydrophobicContact CG-CG 4.39Å; H80-F93 CarbonylContact C-O 3.59Å; H80-F93 VanDerWaalsContact CA-O 3.28Å; H80-F93 WeakPolarHBondContact CA-O 3.32Å; V81-F93 PolarHBondContact N-O 3.15Å; V81-F93 PolarHBondContact O-N 3.36Å; V83-F93 HydrophobicContact CB-CD2 4.16Å; V83-F93 HydrophobicContact CB-CE2 4.04Å; V83-F93 HydrophobicContact CG2-CD2 3.55Å; V83-F93 HydrophobicContact CG2-CE2 3.82Å; R91-F93 HydrophobicContact CB-CD2 4.31Å; R91-F93 HydrophobicContact CB-CE2 3.78Å; R91-F93 HydrophobicContact CB-CZ 4.39Å; F93-E99 WeakPolarHBondContact CA-O 3.26Å
94	N	89.5	Confident	87.3	Confident	29 Å²	29	32.1 Å²	32.1	16%	0.155	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	127.6	165.1	-174.7	-12.4	0	0	0	109.1	V79 L96 G98 E99	V79-N94 PolarHBondContact O-OD1 3.35Å; N94-L96 VanDerWaalsContact C-N 3.26Å; N94-L96 PolarHBondContact O-N 2.84Å; N94-L96 WeakPolarHBondContact OD1-CB 3.33Å; N94-L96 PolarHBondContact OD1-N 3.3Å; N94-G98 VanDerWaalsContact O-CA 3.23Å; N94-G98 WeakPolarHBondContact O-CA 3.45Å; N94-G98 PolarHBondContact O-N 3.3Å; N94-E99 PolarHBondContact N-O 3.19Å
95	L	85.8	Confident	86.9	Confident	7 Å²	7	33.8 Å²	33.8	4%	0.037	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-18	-179.7	-72.2	171.7	0	0	0	114	V29 L31 I50 G78 V79 V81	V29-L95 HydrophobicContact CG1-CD1 3.27Å; V29-L95 HydrophobicContact CG1-CD2 3.8Å; V29-L95 HydrophobicContact CG1-CG 4.15Å; L31-L95 HydrophobicContact CD2-CB 3.79Å; L31-L95 HydrophobicContact CD2-CD2 4.16Å; L31-L95 HydrophobicContact CD2-CG 4.41Å; I50-L95 HydrophobicContact CD1-CD2 3.44Å; I50-L95 VanDerWaalsContact CD1-CD2 3.44Å; G78-L95 WeakPolarHBondContact O-CD1 3.43Å; V79-L95 VanDerWaalsContact O-CB 3.29Å; V79-L95 WeakPolarHBondContact O-CB 3.36Å; V79-L95 WeakPolarHBondContact O-CG 3.38Å; V79-L95 PolarHBondContact O-N 2.83Å; V81-L95 HydrophobicContact CB-CD2 4.46Å; V81-L95 HydrophobicContact CG2-CD1 3.77Å; V81-L95 HydrophobicContact CG2-CD2 3.57Å; V81-L95 HydrophobicContact CG2-CG 3.76Å
96	L	86.1	Confident	86.2	Confident	97 Å²	97	33.6 Å²	33.6	51%	0.508	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-45.7	179.4	-66.1	171.5	0	0	0	112	R32 V79 N94	R32-L96 HydrophobicContact CG-CD2 3.85Å; V79-L96 HydrophobicContact CG1-CD1 4.49Å; N94-L96 VanDerWaalsContact C-N 3.26Å; N94-L96 PolarHBondContact O-N 2.84Å; N94-L96 WeakPolarHBondContact OD1-CB 3.33Å; N94-L96 PolarHBondContact OD1-N 3.3Å
97	S	84.1	Confident	86.1	Confident	57 Å²	57	31.1 Å²	31.1	40%	0.399	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-28.5	179.2	60.5	0	0	0	0	113.2	E99	S97-E99 PolarHBondContact OG-N 3.36Å
98	G	81.4	Confident	86	Confident	14 Å²	14	33 Å²	33	14%	0.144	18%	0.179	C	C	.	.			trans	78.4	4.1	-171.1	0	0	0	0	0	114	N94	N94-G98 VanDerWaalsContact O-CA 3.23Å; N94-G98 WeakPolarHBondContact O-CA 3.45Å; N94-G98 PolarHBondContact O-N 3.3Å
99	E	86.6	Confident	86.1	Confident	128 Å²	128	34.5 Å²	34.5	60%	0.598	19%	0.189	S	C	*	.			trans	-89.2	149.7	-179	-64.7	174.4	165.5	0	0	111.4	F93 N94 S97	F93-E99 WeakPolarHBondContact CA-O 3.26Å; N94-E99 PolarHBondContact N-O 3.19Å; S97-E99 PolarHBondContact OG-N 3.36Å
100	S	81.4	Confident	86	Confident	58 Å²	58	33.8 Å²	33.8	41%	0.406	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	114.3	170.9	57.7	0	0	0	0	109.9	I92	I92-S100 WeakPolarHBondContact O-CA 3.42Å
101	N	77.7	Confident	86.1	Confident	100 Å²	100	33.8 Å²	33.8	54%	0.535	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-37.7	178.5	-69	-0.9	0	0	0	111.5	I92	I92-N101 PolarHBondContact O-N 3.4Å; I92-N101 VanDerWaalsContact O-N 3.15Å
102	V	83.9	Confident	86.2	Confident	11 Å²	11	34 Å²	34	7%	0.067	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.9	-169.5	-171.1	0	0	0	0	110.6	R91 I92 F104 E140	R91-V102 WeakPolarHBondContact CA-O 3.36Å; I92-V102 HydrophobicContact CB-CB 4.35Å; I92-V102 PolarHBondContact N-O 2.99Å; V102-F104 HydrophobicContact CG1-CD1 4.26Å; V102-F104 HydrophobicContact CG1-CE1 3.69Å; V102-F104 HydrophobicContact CG1-CE2 4.12Å; V102-F104 HydrophobicContact CG1-CZ 3.61Å; V102-E140 HydrophobicContact CG1-CB 3.98Å; V102-E140 HydrophobicContact CG1-CG 3.77Å; V102-E140 HydrophobicContact CG2-CG 3.92Å; V102-E140 VanDerWaalsContact CG2-OE1 3.28Å; V102-E140 WeakPolarHBondContact CG2-OE1 3.49Å
103	S	87.7	Confident	86.1	Confident	15 Å²	15	33.9 Å²	33.9	11%	0.105	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	125.8	172.1	55.1	0	0	0	0	110.8	V90 S819	V90-S103 CarbonylContact O-C 3.59Å; V90-S103 WeakPolarHBondContact O-CA 3.29Å; S103-S819 VanDerWaalsContact O-CB 3.26Å; S103-S819 WeakPolarHBondContact O-CB 3.34Å; S103-S819 PolarHBondContact O-OG 3.42Å
104	F	87.5	Confident	86.2	Confident	1 Å²	1	34.2 Å²	34.2	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.2	175.5	-61.8	-55.3	0	0	0	110.8	M89 V90 I92 V102 W135 E140	M89-F104 WeakPolarHBondContact CA-O 3.29Å; M89-F104 VanDerWaalsContact CE-O 3.23Å; M89-F104 WeakPolarHBondContact CE-O 3.45Å; V90-F104 HydrophobicContact CB-CB 4.24Å; V90-F104 HydrophobicContact CB-CD2 4.42Å; V90-F104 HydrophobicContact CG1-CD2 4.38Å; V90-F104 PolarHBondContact N-O 3.48Å; V90-F104 PolarHBondContact O-N 3.01Å; I92-F104 HydrophobicContact CD1-CE2 3.64Å; I92-F104 HydrophobicContact CD1-CZ 4.3Å; I92-F104 HydrophobicContact CG1-CE2 4.27Å; V102-F104 HydrophobicContact CG1-CD1 4.26Å; V102-F104 HydrophobicContact CG1-CE1 3.69Å; V102-F104 HydrophobicContact CG1-CE2 4.12Å; V102-F104 HydrophobicContact CG1-CZ 3.61Å; F104-W135 HydrophobicContact CB-CD2 3.95Å; F104-W135 HydrophobicContact CB-CE3 3.86Å; F104-W135 HydrophobicContact CB-CH2 3.97Å; F104-W135 HydrophobicContact CB-CZ2 4.01Å; F104-W135 HydrophobicContact CB-CZ3 3.89Å; F104-W135 HydrophobicContact CD1-CD2 4.03Å; F104-W135 AromaticContact CD1-CE3 3.45Å; F104-W135 HydrophobicContact CD1-CE3 3.45Å; F104-W135 VanDerWaalsContact CD1-CE3 3.45Å; F104-W135 AromaticContact CD1-CZ3 3.9Å; F104-W135 HydrophobicContact CD1-CZ3 3.9Å; F104-W135 HydrophobicContact CD2-CB 4.39Å; F104-W135 HydrophobicContact CD2-CD2 4.18Å; F104-W135 HydrophobicContact CD2-CE3 4.42Å; F104-W135 HydrophobicContact CD2-CG 4.16Å; F104-W135 HydrophobicContact CE1-CE3 4.05Å; F104-W135 HydrophobicContact CE2-CB 4.13Å; F104-W135 HydrophobicContact CE2-CG 4.39Å; F104-W135 AromaticContact CG-CD2 3.81Å; F104-W135 HydrophobicContact CG-CD2 3.81Å; F104-W135 AromaticContact CG-CE3 3.67Å; F104-W135 HydrophobicContact CG-CE3 3.67Å; F104-W135 HydrophobicContact CG-CG 4.26Å; F104-W135 HydrophobicContact CG-CZ3 4.14Å; F104-W135 HydrophobicContact CZ-CB 4.22Å; F104-E140 HydrophobicContact CE1-CB 4.28Å
105	N	83.9	Confident	86.3	Confident	36 Å²	36	35.1 Å²	35.1	19%	0.193	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	113.1	175	-157.8	-12.2	0	0	0	109.8	M89 K748	M89-N105 HydrophobicContact CE-CB 3.32Å; N105-K748 PolarHBondContact O-N 2.94Å
106	G	79.1	Confident	86.6	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.198	C	C	.	.			trans	-157.4	-33.9	-179.9	0	0	0	0	0	114.2
107	H	87.1	Confident	86.8	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.			trans	-76.1	145.8	176.4	-66.5	-62.2	0	0	0	111.5	T125 S127 D129 D131 I133	H107-T125 WeakPolarHBondContact NE2-CB 3.49Å; H107-T125 PolarHBondContact NE2-OG1 2.88Å; H107-S127 VanDerWaalsContact CG-CB 3.45Å; H107-S127 WeakPolarHBondContact ND1-CB 3.49Å; H107-D129 IonicContact ND1-OD1 3.01Å; H107-D129 IonicContact ND1-OD2 3.07Å; H107-D131 PolarHBondContact CE1-O 3.21Å; H107-I133 VanDerWaalsContact CE1-CD1 3.44Å; H107-I133 WeakPolarHBondContact CE1-CD1 3.26Å; H107-I133 VanDerWaalsContact CE1-CG1 3.47Å; H107-I133 WeakPolarHBondContact CE1-CG1 3.37Å
108	K	82.8	Confident	86.7	Confident	89 Å²	89	32.1 Å²	32.1	39%	0.387	18%	0.181	S	C	.	.	S	Bend	trans	-82.9	-20.9	175	-63.4	-175.5	178.4	-172.9	0	112.2	D129 D731	K108-D129 HydrophobicContact CB-CB 4.02Å; K108-D129 PolarHBondContact N-OD2 2.94Å; K108-D731 IonicContact NZ-OD1 3.65Å
109	S	87.9	Confident	86.8	Confident	31 Å²	31	37.8 Å²	37.8	22%	0.217	21%	0.207	C	C	.	.	S	Bend	trans	-144.1	176	-172.9	74.4	0	0	0	0	111.2	G88 S127 K128 D129	G88-S109 WeakPolarHBondContact CA-O 3.43Å; G88-S109 PolarHBondContact N-O 3.11Å; S109-S127 PolarHBondContact O-OG 3.49Å; S109-S127 VanDerWaalsContact O-OG 3.1Å; S109-S127 PolarHBondContact OG-OG 3.1Å; S109-S127 VanDerWaalsContact OG-OG 3.05Å; S109-K128 VanDerWaalsContact OG-C 3.26Å; S109-K128 WeakPolarHBondContact OG-CA 3.41Å; S109-K128 VanDerWaalsContact OG-CB 3.31Å; S109-K128 WeakPolarHBondContact OG-CB 3.34Å; S109-K128 PolarHBondContact OG-N 3.48Å; S109-D129 WeakPolarHBondContact OG-CB 3.42Å; S109-D129 PolarHBondContact OG-N 3.29Å
110	G	88.1	Confident	86.7	Confident	2 Å²	2	32.2 Å²	32.2	2%	0.021	18%	0.184	C	C	.	.			trans	-57.4	137.8	-172.8	0	0	0	0	0	115.1	Y85 E86 K128	Y85-G110 WeakPolarHBondContact O-CA 3.5Å; E86-G110 VanDerWaalsContact C-CA 3.47Å; E86-G110 WeakPolarHBondContact O-CA 3.48Å; E86-G110 PolarHBondContact O-N 3.18Å; G110-K128 PolarHBondContact O-N 3.04Å; G110-K128 VanDerWaalsContact O-N 3.1Å
111	V	93.6	Very high	86.9	Confident	1 Å²	1	31 Å²	31	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	128.7	179.6	-171.8	0	0	0	0	109.9	S70 Y85 V90 M114 G126	S70-V111 WeakPolarHBondContact CB-O 3.26Å; S70-V111 PolarHBondContact OG-O 3.45Å; Y85-V111 PolarHBondContact O-N 3.09Å; V90-V111 HydrophobicContact CG2-CG1 4.45Å; V90-V111 HydrophobicContact CG2-CG2 3.77Å; V111-M114 HydrophobicContact CG1-CG 3.51Å; V111-M114 HydrophobicContact CG1-SD 3.77Å; V111-G126 WeakPolarHBondContact CG1-O 3.25Å
112	T	92.3	Very high	87.6	Confident	31 Å²	31	29.3 Å²	29.3	19%	0.19	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	-29.5	-175.3	46	0	0	0	0	113.3	F71 G126 K128 V152 I153	F71-T112 WeakPolarHBondContact CD2-O 3.4Å; F71-T112 WeakPolarHBondContact CE2-O 3.47Å; T112-G126 PolarHBondContact N-O 3.36Å; T112-G126 PolarHBondContact OG1-O 2.82Å; T112-G126 VanDerWaalsContact OG1-O 3.13Å; T112-K128 HydrophobicContact CG2-CD 4.43Å; T112-K128 HydrophobicContact CG2-CG 3.46Å; T112-K128 VanDerWaalsContact CG2-CG 3.46Å; T112-V152 HydrophobicContact CG2-CG1 3.81Å; T112-I153 VanDerWaalsContact CB-O 3.3Å; T112-I153 WeakPolarHBondContact CB-O 3.26Å; T112-I153 PolarHBondContact OG1-O 2.95Å
113	A	91.1	Very high	88	Confident	2 Å²	2	28.8 Å²	28.8	2%	0.017	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	138.7	-178.7	0	0	0	0	0	110.4	T125 G126 I153	A113-T125 CarbonylContact O-C 3.58Å; A113-T125 WeakPolarHBondContact O-CA 3.45Å; A113-G126 PolarHBondContact N-O 3.41Å; A113-G126 VanDerWaalsContact N-O 3.12Å; A113-G126 PolarHBondContact O-N 2.68Å; A113-I153 HydrophobicContact CB-CG2 4.45Å
114	M	93	Very high	88.3	Confident	9 Å²	9	28.1 Å²	28.1	4%	0.044	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	139.3	173.2	-61	173.7	42.5	0	0	110.3	F71 C73 A82 V90 V111 L123 V124 T125	F71-M114 HydrophobicContact CB-SD 4.29Å; F71-M114 HydrophobicContact CD1-CB 3.83Å; F71-M114 HydrophobicContact CD1-CG 4.09Å; F71-M114 HydrophobicContact CD1-SD 4.42Å; F71-M114 HydrophobicContact CE1-CB 4.2Å; C73-M114 HydrophobicContact CB-CB 3.99Å; C73-M114 HydrophobicContact CB-CE 4.21Å; A82-M114 HydrophobicContact CB-CE 3.23Å; V90-M114 HydrophobicContact CG1-CE 3.72Å; V90-M114 HydrophobicContact CG1-SD 4.35Å; V90-M114 HydrophobicContact CG2-SD 4.38Å; V111-M114 HydrophobicContact CG1-CG 3.51Å; V111-M114 HydrophobicContact CG1-SD 3.77Å; M114-L123 HydrophobicContact CE-CD1 4.35Å; M114-L123 HydrophobicContact CE-CD2 4.3Å; M114-V124 VanDerWaalsContact CA-O 3.28Å; M114-V124 WeakPolarHBondContact CA-O 3.33Å; M114-T125 HydrophobicContact CG-CG2 4.09Å
115	N	92.2	Very high	88.6	Confident	49 Å²	49	28 Å²	28	26%	0.262	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	140.3	171.8	-160.3	19.9	0	0	0	111.9	V124 A156 L157	N115-V124 PolarHBondContact N-O 2.77Å; N115-V124 PolarHBondContact O-N 3.37Å; N115-A156 WeakPolarHBondContact CB-O 3.31Å; N115-L157 WeakPolarHBondContact ND2-CD2 3.36Å
116	Y	92	Very high	89.1	Confident	12 Å²	12	26.3 Å²	26.3	5%	0.047	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	154.3	172.6	-78.1	-88.2	0	0	0	111	C73 A82 L123 I137	C73-Y116 HydrophobicContact CB-CD2 4.31Å; C73-Y116 HydrophobicContact CB-CE2 4.23Å; C73-Y116 WeakPolarHBondContact O-CE2 3.47Å; C73-Y116 VanDerWaalsContact SG-CD2 3.57Å; A82-Y116 HydrophobicContact CB-CE2 3.88Å; A82-Y116 VanDerWaalsContact CB-OH 3.3Å; A82-Y116 WeakPolarHBondContact CB-OH 3.26Å; A82-Y116 PolarHBondContact N-OH 3.3Å; Y116-L123 HydrophobicContact CD1-CB 4.46Å; Y116-L123 HydrophobicContact CD1-CD1 4.12Å; Y116-L123 HydrophobicContact CD2-CD1 3.99Å; Y116-L123 HydrophobicContact CE1-CD1 4.17Å; Y116-L123 HydrophobicContact CE2-CD1 3.99Å; Y116-L123 HydrophobicContact CG-CD1 4.05Å; Y116-I137 HydrophobicContact CD1-CD1 3.66Å; Y116-I137 HydrophobicContact CE1-CD1 3.3Å; Y116-I137 HydrophobicContact CE1-CG1 4.41Å
117	D	88.6	Confident	89.7	Confident	25 Å²	25	26.3 Å²	26.3	13%	0.134	15%	0.146	C	C	.	.			trans	-67.5	159.6	161.3	-176.1	20.5	0	0	0	110.6	P76 L119 G120 R122 F158	P76-D117 WeakPolarHBondContact CG-O 3.3Å; D117-L119 PolarHBondContact O-N 2.7Å; D117-G120 PolarHBondContact O-N 3.09Å; D117-R122 HydrophobicContact CB-CB 4.12Å; D117-R122 PolarHBondContact N-O 3.32Å; D117-F158 HydrophobicContact CB-CD2 3.9Å; D117-F158 HydrophobicContact CB-CE2 3.94Å; D117-F158 HydrophobicContact CB-CG 4.31Å; D117-F158 HydrophobicContact CB-CZ 4.41Å
118	S	82.9	Confident	89.9	Confident	61 Å²	61	30.9 Å²	30.9	43%	0.427	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-34.8	177.6	60.5	0	0	0	0	114.4
119	L	83.4	Confident	90.2	Very high	133 Å²	133	27.8 Å²	27.8	70%	0.696	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-7.9	177.3	-65.3	175.2	0	0	0	113.7	D117 A121	D117-L119 PolarHBondContact O-N 2.7Å; L119-A121 PolarHBondContact O-N 3.06Å
120	G	83.6	Confident	90.3	Very high	10 Å²	10	28.1 Å²	28.1	10%	0.103	15%	0.154	C	C	.	.	S	Bend	trans	73.8	3.8	-178.1	0	0	0	0	0	115.7	D117 I137	D117-G120 PolarHBondContact O-N 3.09Å; G120-I137 WeakPolarHBondContact O-CD1 3.45Å
121	A	87.6	Confident	90.4	Very high	32 Å²	32	28.6 Å²	28.6	26%	0.264	16%	0.156	S	C	.	.	S	Bend	trans	-80.1	-30.2	-178.9	0	0	0	0	0	114	L119 I137 I138	L119-A121 PolarHBondContact O-N 3.06Å; A121-I137 PolarHBondContact O-N 3.46Å; A121-I137 VanDerWaalsContact O-N 3.09Å; A121-I138 HydrophobicContact CB-CD1 4.19Å
122	R	90.6	Very high	90.4	Very high	66 Å²	66	28.6 Å²	28.6	25%	0.249	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	147.1	179	-63.4	176.6	179.4	176.3	-2.3	111	D117 W135 F158	D117-R122 HydrophobicContact CB-CB 4.12Å; D117-R122 PolarHBondContact N-O 3.32Å; R122-W135 WeakPolarHBondContact CA-O 3.37Å; R122-F158 HydrophobicContact CB-CE2 4.38Å; R122-F158 HydrophobicContact CB-CZ 3.85Å
123	L	92.9	Very high	90.4	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	-127.1	125.2	176.9	176.9	70.9	0	0	0	109.5	A82 V90 M114 Y116 T125 W135 I137	A82-L123 HydrophobicContact CB-CD1 4.29Å; A82-L123 HydrophobicContact CB-CD2 3.96Å; V90-L123 HydrophobicContact CG1-CD2 4.02Å; M114-L123 HydrophobicContact CE-CD1 4.35Å; M114-L123 HydrophobicContact CE-CD2 4.3Å; Y116-L123 HydrophobicContact CD1-CB 4.46Å; Y116-L123 HydrophobicContact CD1-CD1 4.12Å; Y116-L123 HydrophobicContact CD2-CD1 3.99Å; Y116-L123 HydrophobicContact CE1-CD1 4.17Å; Y116-L123 HydrophobicContact CE2-CD1 3.99Å; Y116-L123 HydrophobicContact CG-CD1 4.05Å; L123-T125 HydrophobicContact CD2-CG2 4.08Å; L123-T125 HydrophobicContact CG-CG2 4.09Å; L123-W135 HydrophobicContact CB-CB 4.3Å; L123-W135 PolarHBondContact N-O 2.96Å; L123-W135 PolarHBondContact O-N 3.11Å; L123-I137 HydrophobicContact CB-CD1 4.03Å; L123-I137 HydrophobicContact CB-CG1 4.23Å
124	V	93.6	Very high	90.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	140.7	167.5	174.7	0	0	0	0	109.6	M114 N115 V132 V134 A156 F158 L165	M114-V124 VanDerWaalsContact CA-O 3.28Å; M114-V124 WeakPolarHBondContact CA-O 3.33Å; N115-V124 PolarHBondContact N-O 2.77Å; N115-V124 PolarHBondContact O-N 3.37Å; V124-V132 HydrophobicContact CG1-CG1 3.48Å; V124-V132 VanDerWaalsContact CG1-CG1 3.48Å; V124-V134 HydrophobicContact CG2-CG1 4.4Å; V124-V134 HydrophobicContact CG2-CG2 3.91Å; V124-A156 HydrophobicContact CG1-CB 3.53Å; V124-F158 HydrophobicContact CB-CE2 4.02Å; V124-F158 HydrophobicContact CB-CZ 4.18Å; V124-F158 HydrophobicContact CG2-CD1 4.26Å; V124-F158 HydrophobicContact CG2-CD2 4.04Å; V124-F158 HydrophobicContact CG2-CE1 3.54Å; V124-F158 HydrophobicContact CG2-CE2 3.3Å; V124-F158 HydrophobicContact CG2-CG 4.5Å; V124-F158 HydrophobicContact CG2-CZ 3.04Å; V124-L165 HydrophobicContact CB-CD1 4.18Å; V124-L165 HydrophobicContact CG1-CD1 4.08Å; V124-L165 HydrophobicContact CG1-CD2 4.21Å; V124-L165 HydrophobicContact CG2-CD1 3.44Å; V124-L165 VanDerWaalsContact CG2-CD1 3.44Å; V124-L165 HydrophobicContact CG2-CD2 4.02Å; V124-L165 HydrophobicContact CG2-CG 4.38Å
125	T	94.2	Very high	90.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.5	175.4	58.1	0	0	0	0	108.8	V90 H107 A113 M114 L123 V132 I133 W135	V90-T125 HydrophobicContact CG2-CG2 3.95Å; H107-T125 WeakPolarHBondContact NE2-CB 3.49Å; H107-T125 PolarHBondContact NE2-OG1 2.88Å; A113-T125 CarbonylContact O-C 3.58Å; A113-T125 WeakPolarHBondContact O-CA 3.45Å; M114-T125 HydrophobicContact CG-CG2 4.09Å; L123-T125 HydrophobicContact CD2-CG2 4.08Å; L123-T125 HydrophobicContact CG-CG2 4.09Å; T125-V132 CarbonylContact O-C 3.53Å; T125-V132 WeakPolarHBondContact O-CA 3.35Å; T125-I133 PolarHBondContact N-O 3.4Å; T125-I133 PolarHBondContact O-N 3.23Å; T125-I133 PolarHBondContact OG1-O 3.15Å; T125-W135 VanDerWaalsContact CG2-CD1 3.49Å; T125-W135 PolarHBondContact OG1-NE1 3.49Å
126	G	93.8	Very high	90.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	145	170.5	0	0	0	0	0	109.6	V111 T112 A113	V111-G126 WeakPolarHBondContact CG1-O 3.25Å; T112-G126 PolarHBondContact N-O 3.36Å; T112-G126 PolarHBondContact OG1-O 2.82Å; T112-G126 VanDerWaalsContact OG1-O 3.13Å; A113-G126 PolarHBondContact N-O 3.41Å; A113-G126 VanDerWaalsContact N-O 3.12Å; A113-G126 PolarHBondContact O-N 2.68Å
127	S	92.8	Very high	90	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	169.9	-172.3	150.5	0	0	0	0	112.1	H107 S109 D129 T130 D131 I153	H107-S127 VanDerWaalsContact CG-CB 3.45Å; H107-S127 WeakPolarHBondContact ND1-CB 3.49Å; S109-S127 PolarHBondContact O-OG 3.49Å; S109-S127 VanDerWaalsContact O-OG 3.1Å; S109-S127 PolarHBondContact OG-OG 3.1Å; S109-S127 VanDerWaalsContact OG-OG 3.05Å; S127-D129 WeakPolarHBondContact CB-OD1 3.34Å; S127-D129 PolarHBondContact O-N 3.47Å; S127-D129 PolarHBondContact OG-N 2.85Å; S127-D129 VanDerWaalsContact OG-N 3.1Å; S127-D129 PolarHBondContact OG-OD1 3.05Å; S127-T130 PolarHBondContact O-N 3.21Å; S127-D131 PolarHBondContact N-O 2.82Å; S127-I153 PolarHBondContact O-N 3.33Å
128	K	91.3	Very high	89.8	Confident	95 Å²	95	31.3 Å²	31.3	41%	0.413	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-13.7	171.4	-57.7	173.6	-173.4	166.3	0	113.5	S109 G110 T112 T130 V152	S109-K128 VanDerWaalsContact OG-C 3.26Å; S109-K128 WeakPolarHBondContact OG-CA 3.41Å; S109-K128 VanDerWaalsContact OG-CB 3.31Å; S109-K128 WeakPolarHBondContact OG-CB 3.34Å; S109-K128 PolarHBondContact OG-N 3.48Å; G110-K128 PolarHBondContact O-N 3.04Å; G110-K128 VanDerWaalsContact O-N 3.1Å; T112-K128 HydrophobicContact CG2-CD 4.43Å; T112-K128 HydrophobicContact CG2-CG 3.46Å; T112-K128 VanDerWaalsContact CG2-CG 3.46Å; K128-T130 PolarHBondContact O-N 3.39Å; K128-V152 HydrophobicContact CB-CG1 4.33Å; K128-V152 HydrophobicContact CB-CG2 3.97Å; K128-V152 HydrophobicContact CG-CG1 4.05Å; K128-V152 HydrophobicContact CG-CG2 4.27Å
129	D	88.3	Confident	89.7	Confident	25 Å²	25	32.6 Å²	32.6	13%	0.134	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	14.4	177.8	70.1	-13.3	0	0	0	112.9	H107 K108 S109 S127 D131 R145	H107-D129 IonicContact ND1-OD1 3.01Å; H107-D129 IonicContact ND1-OD2 3.07Å; K108-D129 HydrophobicContact CB-CB 4.02Å; K108-D129 PolarHBondContact N-OD2 2.94Å; S109-D129 WeakPolarHBondContact OG-CB 3.42Å; S109-D129 PolarHBondContact OG-N 3.29Å; S127-D129 WeakPolarHBondContact CB-OD1 3.34Å; S127-D129 PolarHBondContact O-N 3.47Å; S127-D129 PolarHBondContact OG-N 2.85Å; S127-D129 VanDerWaalsContact OG-N 3.1Å; S127-D129 PolarHBondContact OG-OD1 3.05Å; D129-D131 PolarHBondContact O-N 3.49Å; D129-D131 PolarHBondContact OD1-N 3.03Å; D129-R145 IonicContact OD2-NH2 3.84Å
130	T	90.3	Very high	89.8	Confident	38 Å²	38	28.6 Å²	28.6	23%	0.233	15%	0.148	C	C	.	.	S	Bend	trans	72.7	-3.9	176	75.1	0	0	0	0	115.8	S127 K128 I153	S127-T130 PolarHBondContact O-N 3.21Å; K128-T130 PolarHBondContact O-N 3.39Å; T130-I153 VanDerWaalsContact C-CD1 3.43Å; T130-I153 VanDerWaalsContact O-CD1 3.29Å; T130-I153 WeakPolarHBondContact O-CD1 3.31Å
131	D	90.8	Very high	89.7	Confident	12 Å²	12	28.8 Å²	28.8	6%	0.064	15%	0.148	C	C	.	.			trans	-97.9	138.8	-173.7	-68.1	-23.3	0	0	0	113	H107 S127 D129 R145 R147 I153	H107-D131 PolarHBondContact CE1-O 3.21Å; S127-D131 PolarHBondContact N-O 2.82Å; D129-D131 PolarHBondContact O-N 3.49Å; D129-D131 PolarHBondContact OD1-N 3.03Å; D131-R145 HydrophobicContact CB-CG 4.29Å; D131-R145 IonicContact OD2-CZ 3.74Å; D131-R145 IonicContact OD2-NE 3.85Å; D131-R145 PolarHBondContact OD2-NE 3.34Å; D131-R145 IonicContact OD2-NH2 2.92Å; D131-R145 PolarHBondContact OD2-NH2 2.93Å; D131-R147 WeakPolarHBondContact OD1-CG 3.23Å; D131-R147 IonicContact OD2-NE 2.88Å; D131-I153 WeakPolarHBondContact O-CD1 3.45Å
132	V	92.5	Very high	89.5	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.2	171.7	-175	0	0	0	0	108	V124 T125 L146 I153 L165	V124-V132 HydrophobicContact CG1-CG1 3.48Å; V124-V132 VanDerWaalsContact CG1-CG1 3.48Å; T125-V132 CarbonylContact O-C 3.53Å; T125-V132 WeakPolarHBondContact O-CA 3.35Å; V132-L146 HydrophobicContact CB-CB 4.26Å; V132-L146 PolarHBondContact N-O 3.23Å; V132-L146 VanDerWaalsContact N-O 3.17Å; V132-L146 PolarHBondContact O-N 3.27Å; V132-I153 HydrophobicContact CB-CD1 4.26Å; V132-I153 HydrophobicContact CG2-CD1 3.35Å; V132-I153 HydrophobicContact CG2-CG1 3.96Å; V132-I153 HydrophobicContact CG2-CG2 4.45Å; V132-L165 HydrophobicContact CG1-CD2 3.85Å
133	I	92.4	Very high	89.1	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	129	177.1	-57	175.1	0	0	0	109.9	H107 T125 W135 Y144 R145 A746	H107-I133 VanDerWaalsContact CE1-CD1 3.44Å; H107-I133 WeakPolarHBondContact CE1-CD1 3.26Å; H107-I133 VanDerWaalsContact CE1-CG1 3.47Å; H107-I133 WeakPolarHBondContact CE1-CG1 3.37Å; T125-I133 PolarHBondContact N-O 3.4Å; T125-I133 PolarHBondContact O-N 3.23Å; T125-I133 PolarHBondContact OG1-O 3.15Å; I133-W135 HydrophobicContact CB-CZ2 4.05Å; I133-W135 HydrophobicContact CD1-CZ2 3.95Å; I133-W135 HydrophobicContact CG2-CD2 3.86Å; I133-W135 HydrophobicContact CG2-CE3 4.39Å; I133-W135 HydrophobicContact CG2-CG 4.37Å; I133-W135 HydrophobicContact CG2-CH2 3.99Å; I133-W135 HydrophobicContact CG2-CZ2 3.44Å; I133-W135 VanDerWaalsContact CG2-CZ2 3.44Å; I133-W135 HydrophobicContact CG2-CZ3 4.43Å; I133-Y144 WeakPolarHBondContact CA-O 3.44Å; I133-R145 HydrophobicContact CG1-CB 4.3Å; I133-R145 HydrophobicContact CG1-CG 4.09Å; I133-A746 HydrophobicContact CD1-CB 4.48Å; I133-A746 HydrophobicContact CG2-CB 3.54Å
134	V	92.3	Very high	88.7	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.2	171.5	-173.1	0	0	0	0	108.8	V124 L143 Y144 L146 F158 L165 L179	V124-V134 HydrophobicContact CG2-CG1 4.4Å; V124-V134 HydrophobicContact CG2-CG2 3.91Å; V134-L143 HydrophobicContact CG1-CD1 4.36Å; V134-L143 PolarHBondContact O-N 3.37Å; V134-Y144 HydrophobicContact CB-CD2 4.28Å; V134-Y144 PolarHBondContact N-O 2.83Å; V134-Y144 PolarHBondContact O-N 3.09Å; V134-L146 HydrophobicContact CG2-CD1 4.36Å; V134-F158 HydrophobicContact CG1-CZ 4.22Å; V134-L165 HydrophobicContact CG2-CD2 4.2Å; V134-L179 HydrophobicContact CG2-CD2 3.96Å
135	W	91.6	Very high	88.4	Confident	6 Å²	6	29.5 Å²	29.5	2%	0.023	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	144.1	178.9	-54	93.9	0	0	0	110.6	F104 R122 L123 T125 I133 C141 G142	F104-W135 HydrophobicContact CB-CD2 3.95Å; F104-W135 HydrophobicContact CB-CE3 3.86Å; F104-W135 HydrophobicContact CB-CH2 3.97Å; F104-W135 HydrophobicContact CB-CZ2 4.01Å; F104-W135 HydrophobicContact CB-CZ3 3.89Å; F104-W135 HydrophobicContact CD1-CD2 4.03Å; F104-W135 AromaticContact CD1-CE3 3.45Å; F104-W135 HydrophobicContact CD1-CE3 3.45Å; F104-W135 VanDerWaalsContact CD1-CE3 3.45Å; F104-W135 AromaticContact CD1-CZ3 3.9Å; F104-W135 HydrophobicContact CD1-CZ3 3.9Å; F104-W135 HydrophobicContact CD2-CB 4.39Å; F104-W135 HydrophobicContact CD2-CD2 4.18Å; F104-W135 HydrophobicContact CD2-CE3 4.42Å; F104-W135 HydrophobicContact CD2-CG 4.16Å; F104-W135 HydrophobicContact CE1-CE3 4.05Å; F104-W135 HydrophobicContact CE2-CB 4.13Å; F104-W135 HydrophobicContact CE2-CG 4.39Å; F104-W135 AromaticContact CG-CD2 3.81Å; F104-W135 HydrophobicContact CG-CD2 3.81Å; F104-W135 AromaticContact CG-CE3 3.67Å; F104-W135 HydrophobicContact CG-CE3 3.67Å; F104-W135 HydrophobicContact CG-CG 4.26Å; F104-W135 HydrophobicContact CG-CZ3 4.14Å; F104-W135 HydrophobicContact CZ-CB 4.22Å; R122-W135 WeakPolarHBondContact CA-O 3.37Å; L123-W135 HydrophobicContact CB-CB 4.3Å; L123-W135 PolarHBondContact N-O 2.96Å; L123-W135 PolarHBondContact O-N 3.11Å; T125-W135 VanDerWaalsContact CG2-CD1 3.49Å; T125-W135 PolarHBondContact OG1-NE1 3.49Å; I133-W135 HydrophobicContact CB-CZ2 4.05Å; I133-W135 HydrophobicContact CD1-CZ2 3.95Å; I133-W135 HydrophobicContact CG2-CD2 3.86Å; I133-W135 HydrophobicContact CG2-CE3 4.39Å; I133-W135 HydrophobicContact CG2-CG 4.37Å; I133-W135 HydrophobicContact CG2-CH2 3.99Å; I133-W135 HydrophobicContact CG2-CZ2 3.44Å; I133-W135 VanDerWaalsContact CG2-CZ2 3.44Å; I133-W135 HydrophobicContact CG2-CZ3 4.43Å; W135-C141 WeakPolarHBondContact CA-O 3.24Å; W135-G142 VanDerWaalsContact CZ3-CA 3.47Å
136	D	89.1	Confident	88.2	Confident	21 Å²	21	29.6 Å²	29.6	11%	0.112	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126	163.1	-169	-18.5	0	0	0	108.9	I138 N139 E140 C141 L143	D136-I138 PolarHBondContact OD1-N 3.07Å; D136-N139 HydrophobicContact CB-CB 4.21Å; D136-N139 PolarHBondContact OD1-N 3.41Å; D136-N139 PolarHBondContact OD2-ND2 3.03Å; D136-E140 VanDerWaalsContact O-CA 3.26Å; D136-E140 WeakPolarHBondContact O-CA 3.26Å; D136-E140 PolarHBondContact O-N 3.29Å; D136-E140 VanDerWaalsContact O-N 3.12Å; D136-C141 PolarHBondContact N-O 3.48Å; D136-C141 PolarHBondContact O-N 3.24Å; D136-L143 HydrophobicContact CB-CD1 3.98Å; D136-L143 HydrophobicContact CB-CD2 4.19Å; D136-L143 HydrophobicContact CB-CG 3.94Å
137	I	86.9	Confident	87.9	Confident	29 Å²	29	33.5 Å²	33.5	15%	0.149	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-29.5	-177.6	-63.5	148.6	0	0	0	111.2	I92 Y116 G120 A121 L123	I92-I137 HydrophobicContact CD1-CB 4.36Å; I92-I137 HydrophobicContact CD1-CG1 3.81Å; I92-I137 HydrophobicContact CD1-CG2 3.78Å; Y116-I137 HydrophobicContact CD1-CD1 3.66Å; Y116-I137 HydrophobicContact CE1-CD1 3.3Å; Y116-I137 HydrophobicContact CE1-CG1 4.41Å; G120-I137 WeakPolarHBondContact O-CD1 3.45Å; A121-I137 PolarHBondContact O-N 3.46Å; A121-I137 VanDerWaalsContact O-N 3.09Å; L123-I137 HydrophobicContact CB-CD1 4.03Å; L123-I137 HydrophobicContact CB-CG1 4.23Å
138	I	85.7	Confident	87.5	Confident	130 Å²	130	34.8 Å²	34.8	67%	0.667	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-45.8	-176.4	-58.8	171.7	0	0	0	109.6	A121 D136 E140	A121-I138 HydrophobicContact CB-CD1 4.19Å; D136-I138 PolarHBondContact OD1-N 3.07Å; I138-E140 VanDerWaalsContact C-N 3.27Å
139	N	80	Confident	87.5	Confident	87 Å²	87	30.7 Å²	30.7	47%	0.465	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-8.6	176.7	-70.5	-44.1	0	0	0	113.2	D136 C141 R855	D136-N139 HydrophobicContact CB-CB 4.21Å; D136-N139 PolarHBondContact OD1-N 3.41Å; D136-N139 PolarHBondContact OD2-ND2 3.03Å; N139-C141 HydrophobicContact CB-CB 4.46Å; N139-C141 PolarHBondContact O-N 2.96Å; N139-R855 PolarHBondContact O-NH1 3.27Å
140	E	84.9	Confident	87.5	Confident	49 Å²	49	38.3 Å²	38.3	23%	0.229	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	40.5	-176	-54.5	178.5	176.9	0	0	112.4	V102 F104 D136 I138 S818 S819	V102-E140 HydrophobicContact CG1-CB 3.98Å; V102-E140 HydrophobicContact CG1-CG 3.77Å; V102-E140 HydrophobicContact CG2-CG 3.92Å; V102-E140 VanDerWaalsContact CG2-OE1 3.28Å; V102-E140 WeakPolarHBondContact CG2-OE1 3.49Å; F104-E140 HydrophobicContact CE1-CB 4.28Å; D136-E140 VanDerWaalsContact O-CA 3.26Å; D136-E140 WeakPolarHBondContact O-CA 3.26Å; D136-E140 PolarHBondContact O-N 3.29Å; D136-E140 VanDerWaalsContact O-N 3.12Å; I138-E140 VanDerWaalsContact C-N 3.27Å; E140-S818 WeakPolarHBondContact OE2-CB 3.35Å; E140-S818 PolarHBondContact OE2-OG 2.86Å; E140-S819 WeakPolarHBondContact O-CA 3.42Å; E140-S819 WeakPolarHBondContact O-CB 3.33Å
141	C	81.5	Confident	87.6	Confident	15 Å²	15	38.9 Å²	38.9	10%	0.101	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	151.1	-176.2	74.2	0	0	0	0	111.9	W135 D136 N139 L143	W135-C141 WeakPolarHBondContact CA-O 3.24Å; D136-C141 PolarHBondContact N-O 3.48Å; D136-C141 PolarHBondContact O-N 3.24Å; N139-C141 HydrophobicContact CB-CB 4.46Å; N139-C141 PolarHBondContact O-N 2.96Å; C141-L143 PolarHBondContact O-N 3.01Å
142	G	83.3	Confident	87.7	Confident	11 Å²	11	39.9 Å²	39.9	11%	0.113	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	111	167.3	0	0	0	0	0	109	W135	W135-G142 VanDerWaalsContact CZ3-CA 3.47Å
143	L	83.7	Confident	87.8	Confident	46 Å²	46	39.9 Å²	39.9	24%	0.241	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	-57.7	-178.5	-67.7	173.2	0	0	0	110.6	V134 D136 C141	V134-L143 HydrophobicContact CG1-CD1 4.36Å; V134-L143 PolarHBondContact O-N 3.37Å; D136-L143 HydrophobicContact CB-CD1 3.98Å; D136-L143 HydrophobicContact CB-CD2 4.19Å; D136-L143 HydrophobicContact CB-CG 3.94Å; C141-L143 PolarHBondContact O-N 3.01Å
144	Y	84.1	Confident	87.8	Confident	48 Å²	48	41 Å²	41	19%	0.188	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	132.8	-170.9	-46.1	-56.8	0	0	0	110.5	I133 V134 L179 Q182	I133-Y144 WeakPolarHBondContact CA-O 3.44Å; V134-Y144 HydrophobicContact CB-CD2 4.28Å; V134-Y144 PolarHBondContact N-O 2.83Å; V134-Y144 PolarHBondContact O-N 3.09Å; Y144-L179 HydrophobicContact CD2-CD2 4.49Å; Y144-Q182 HydrophobicContact CD1-CG 3.76Å; Y144-Q182 HydrophobicContact CE1-CG 3.86Å; Y144-Q182 HydrophobicContact CG-CG 4.16Å
145	R	87.4	Confident	87.7	Confident	8 Å²	8	42.9 Å²	42.9	3%	0.03	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	105.5	163.1	-177.1	-176.2	-169.4	136.2	11.1	108.3	D129 D131 I133 R147 A743 A744 A746	D129-R145 IonicContact OD2-NH2 3.84Å; D131-R145 HydrophobicContact CB-CG 4.29Å; D131-R145 IonicContact OD2-CZ 3.74Å; D131-R145 IonicContact OD2-NE 3.85Å; D131-R145 PolarHBondContact OD2-NE 3.34Å; D131-R145 IonicContact OD2-NH2 2.92Å; D131-R145 PolarHBondContact OD2-NH2 2.93Å; I133-R145 HydrophobicContact CG1-CB 4.3Å; I133-R145 HydrophobicContact CG1-CG 4.09Å; R145-R147 HydrophobicContact CG-CG 4.45Å; R145-A743 VanDerWaalsContact O-CA 3.31Å; R145-A743 WeakPolarHBondContact O-CA 3.25Å; R145-A744 HydrophobicContact CB-CB 4.37Å; R145-A744 WeakPolarHBondContact CB-O 3.47Å; R145-A744 PolarHBondContact N-O 2.9Å; R145-A744 PolarHBondContact O-N 2.83Å; R145-A746 HydrophobicContact CB-CB 4.24Å
146	L	88.9	Confident	87.8	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	113.2	179.5	-57.2	170.3	0	0	0	109	V132 V134 L165 W177 L179	V132-L146 HydrophobicContact CB-CB 4.26Å; V132-L146 PolarHBondContact N-O 3.23Å; V132-L146 VanDerWaalsContact N-O 3.17Å; V132-L146 PolarHBondContact O-N 3.27Å; V134-L146 HydrophobicContact CG2-CD1 4.36Å; L146-L165 HydrophobicContact CD1-CD2 3.69Å; L146-W177 HydrophobicContact CB-CD2 4.15Å; L146-W177 HydrophobicContact CB-CE3 3.91Å; L146-W177 HydrophobicContact CB-CH2 4.08Å; L146-W177 HydrophobicContact CB-CZ2 4.33Å; L146-W177 HydrophobicContact CB-CZ3 3.87Å; L146-W177 HydrophobicContact CD1-CB 3.95Å; L146-W177 HydrophobicContact CD1-CD2 3.86Å; L146-W177 HydrophobicContact CD1-CE3 4.09Å; L146-W177 HydrophobicContact CD1-CG 3.8Å; L146-W177 HydrophobicContact CD2-CE3 3.89Å; L146-W177 HydrophobicContact CD2-CZ3 4.31Å; L146-W177 HydrophobicContact CG-CD2 4.4Å; L146-W177 HydrophobicContact CG-CE3 4.17Å; L146-L179 HydrophobicContact CD1-CD2 4.5Å
147	R	87.4	Confident	87.9	Confident	82 Å²	82	42.7 Å²	42.7	31%	0.309	22%	0.216	S	C	.	.			trans	-102.6	128	176.6	-65.2	-165.4	170.1	163.1	5.1	109.4	D131 R145 E742	D131-R147 WeakPolarHBondContact OD1-CG 3.23Å; D131-R147 IonicContact OD2-NE 2.88Å; R145-R147 HydrophobicContact CG-CG 4.45Å; R147-E742 PolarHBondContact N-O 3.2Å
148	G	85.2	Confident	88	Confident	27 Å²	27	42.1 Å²	42.1	28%	0.278	21%	0.213	S	C	.	.			trans	174.5	-17.1	172.1	0	0	0	0	0	115.1	K175	G148-K175 VanDerWaalsContact C-NZ 3.33Å; G148-K175 WeakPolarHBondContact O-CE 3.39Å; G148-K175 PolarHBondContact O-NZ 2.73Å
149	H	90.4	Very high	88	Confident	10 Å²	10	36.6 Å²	36.6	5%	0.046	18%	0.184	C	C	.	.			trans	-75.1	151.3	169.4	-78.1	-65.6	0	0	0	111.1	S167 S169 D171	H149-S167 PolarHBondContact CD2-OG 3.47Å; H149-S167 PolarHBondContact NE2-OG 2.94Å; H149-S169 WeakPolarHBondContact ND1-CB 3.4Å; H149-D171 WeakPolarHBondContact CA-OD2 3.4Å; H149-D171 IonicContact CG-OD2 2.83Å; H149-D171 IonicContact ND1-OD1 3.74Å; H149-D171 IonicContact ND1-OD2 3.12Å; H149-D171 PolarHBondContact ND1-OD2 2.86Å
150	K	90.1	Very high	87.7	Confident	185 Å²	185	38.3 Å²	38.3	80%	0.804	19%	0.188	S	C	*	.	S	Bend	trans	-99.3	-19.2	179.8	-66.7	-175.4	179.3	-179.3	0	113.6	D171	K150-D171 HydrophobicContact CB-CB 4.22Å; K150-D171 PolarHBondContact N-OD2 2.86Å
151	D	91.7	Very high	86.9	Confident	50 Å²	50	40.8 Å²	40.8	27%	0.267	20%	0.203	S	C	.	.	S	Bend	trans	-136.3	176.4	179.6	-158.7	-6.4	0	0	0	109.5	I153 S169 K170 D171	D151-I153 PolarHBondContact O-N 2.99Å; D151-S169 VanDerWaalsContact C-OG 3.26Å; D151-S169 PolarHBondContact O-OG 3.15Å; D151-K170 HydrophobicContact CB-CB 4.11Å; D151-K170 WeakPolarHBondContact OD2-CD 3.48Å; D151-K170 WeakPolarHBondContact OD2-CG 3.23Å; D151-K170 IonicContact OD2-NZ 2.8Å; D151-K170 PolarHBondContact OD2-NZ 2.97Å; D151-D171 HydrophobicContact CB-CB 4.09Å
152	V	93	Very high	86.4	Confident	33 Å²	33	46 Å²	46	20%	0.2	22%	0.223	C	C	.	.			trans	-47.1	132.5	-176.4	177.5	0	0	0	0	112.5	T112 K128 S169 K170	T112-V152 HydrophobicContact CG2-CG1 3.81Å; K128-V152 HydrophobicContact CB-CG1 4.33Å; K128-V152 HydrophobicContact CB-CG2 3.97Å; K128-V152 HydrophobicContact CG-CG1 4.05Å; K128-V152 HydrophobicContact CG-CG2 4.27Å; V152-S169 WeakPolarHBondContact O-CA 3.24Å; V152-S169 PolarHBondContact O-OG 3.09Å; V152-K170 PolarHBondContact O-N 3.45Å
153	I	94.4	Very high	86.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	129.3	173.5	-64.3	146.4	0	0	0	109.1	T112 A113 S127 T130 D131 V132 D151	T112-I153 VanDerWaalsContact CB-O 3.3Å; T112-I153 WeakPolarHBondContact CB-O 3.26Å; T112-I153 PolarHBondContact OG1-O 2.95Å; A113-I153 HydrophobicContact CB-CG2 4.45Å; S127-I153 PolarHBondContact O-N 3.33Å; T130-I153 VanDerWaalsContact C-CD1 3.43Å; T130-I153 VanDerWaalsContact O-CD1 3.29Å; T130-I153 WeakPolarHBondContact O-CD1 3.31Å; D131-I153 WeakPolarHBondContact O-CD1 3.45Å; V132-I153 HydrophobicContact CB-CD1 4.26Å; V132-I153 HydrophobicContact CG2-CD1 3.35Å; V132-I153 HydrophobicContact CG2-CG1 3.96Å; V132-I153 HydrophobicContact CG2-CG2 4.45Å; D151-I153 PolarHBondContact O-N 2.99Å
154	T	91.7	Very high	86.7	Confident	22 Å²	22	46.9 Å²	46.9	14%	0.135	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-35.2	-178.4	54.1	0	0	0	0	111.9	S168 K170 V195 W196	T154-S168 PolarHBondContact N-O 3.44Å; T154-S168 PolarHBondContact OG1-O 2.93Å; T154-S168 VanDerWaalsContact OG1-O 3.12Å; T154-S168 PolarHBondContact OG1-OG 2.73Å; T154-K170 HydrophobicContact CG2-CB 4.42Å; T154-V195 WeakPolarHBondContact CB-O 3.36Å; T154-V195 VanDerWaalsContact CG2-O 3.24Å; T154-V195 WeakPolarHBondContact CG2-O 3.4Å; T154-V195 PolarHBondContact OG1-O 3.07Å; T154-W196 HydrophobicContact CG2-CE3 4.29Å
155	Q	91.2	Very high	87	Confident	41 Å²	41	44.6 Å²	44.6	19%	0.192	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	150.5	177.6	-160.8	160.8	-2.7	0	0	111.7	L157 S167 S168 M198	Q155-L157 HydrophobicContact CG-CG 4.41Å; Q155-S167 WeakPolarHBondContact O-CA 2.92Å; Q155-S168 WeakPolarHBondContact CB-OG 3.48Å; Q155-S168 PolarHBondContact N-O 2.87Å; Q155-S168 PolarHBondContact N-OG 2.73Å; Q155-S168 PolarHBondContact O-N 3.47Å; Q155-S168 PolarHBondContact O-OG 2.84Å; Q155-M198 HydrophobicContact CB-CB 4.25Å; Q155-M198 HydrophobicContact CG-CB 4.47Å; Q155-M198 PolarHBondContact NE2-O 3.27Å; Q155-M198 PolarHBondContact OE1-O 3.32Å
156	A	93.1	Very high	87.2	Confident	2 Å²	2	44.2 Å²	44.2	2%	0.017	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	135.6	172.6	0	0	0	0	0	110.2	N115 V124 V166	N115-A156 WeakPolarHBondContact CB-O 3.31Å; V124-A156 HydrophobicContact CG1-CB 3.53Å; A156-V166 CarbonylContact C-O 3.45Å; A156-V166 WeakPolarHBondContact CA-O 3.21Å
157	L	90.4	Very high	87.4	Confident	20 Å²	20	44.1 Å²	44.1	11%	0.105	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	133.6	-174.3	-62.2	175.7	0	0	0	111.1	N115 Q155 L165 V166 M198 L200	N115-L157 WeakPolarHBondContact ND2-CD2 3.36Å; Q155-L157 HydrophobicContact CG-CG 4.41Å; L157-L165 WeakPolarHBondContact O-CD1 3.36Å; L157-V166 PolarHBondContact N-O 3.39Å; L157-V166 PolarHBondContact O-N 2.85Å; L157-M198 HydrophobicContact CB-CE 4.29Å; L157-M198 HydrophobicContact CD1-CE 4.07Å; L157-M198 HydrophobicContact CD1-CG 4.19Å; L157-M198 HydrophobicContact CG-CE 4.02Å; L157-L200 HydrophobicContact CB-CD1 4.09Å; L157-L200 HydrophobicContact CD1-CD1 4.34Å; L157-L200 HydrophobicContact CD1-CG 4.15Å
158	F	90	Very high	87.6	Confident	18 Å²	18	40.2 Å²	40.2	8%	0.079	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	149.8	167.5	-71.1	-73.6	0	0	0	111.6	D117 R122 V124 V134 L165 L179 L200	D117-F158 HydrophobicContact CB-CD2 3.9Å; D117-F158 HydrophobicContact CB-CE2 3.94Å; D117-F158 HydrophobicContact CB-CG 4.31Å; D117-F158 HydrophobicContact CB-CZ 4.41Å; R122-F158 HydrophobicContact CB-CE2 4.38Å; R122-F158 HydrophobicContact CB-CZ 3.85Å; V124-F158 HydrophobicContact CB-CE2 4.02Å; V124-F158 HydrophobicContact CB-CZ 4.18Å; V124-F158 HydrophobicContact CG2-CD1 4.26Å; V124-F158 HydrophobicContact CG2-CD2 4.04Å; V124-F158 HydrophobicContact CG2-CE1 3.54Å; V124-F158 HydrophobicContact CG2-CE2 3.3Å; V124-F158 HydrophobicContact CG2-CG 4.5Å; V124-F158 HydrophobicContact CG2-CZ 3.04Å; V134-F158 HydrophobicContact CG1-CZ 4.22Å; F158-L165 HydrophobicContact CD1-CD1 4Å; F158-L165 HydrophobicContact CE1-CD1 4.25Å; F158-L165 HydrophobicContact CG-CD1 4.34Å; F158-L179 HydrophobicContact CD1-CD1 4.12Å; F158-L179 HydrophobicContact CE1-CD1 3.75Å; F158-L200 WeakPolarHBondContact O-CD1 3.25Å
159	L	84.9	Confident	88	Confident	13 Å²	13	39 Å²	39	7%	0.068	19%	0.187	C	C	.	.			trans	-88.5	139.2	166.1	-78.7	144.5	0	0	0	110.1	K162 L164 V166 W176 L200 D204	L159-K162 VanDerWaalsContact O-O 3.11Å; L159-L164 HydrophobicContact CB-CB 4.27Å; L159-L164 HydrophobicContact CD1-CB 3.4Å; L159-L164 VanDerWaalsContact CD1-CB 3.4Å; L159-L164 HydrophobicContact CD1-CD1 4.23Å; L159-L164 HydrophobicContact CD1-CG 4.46Å; L159-L164 HydrophobicContact CG-CB 4.43Å; L159-L164 PolarHBondContact N-O 3.36Å; L159-L164 VanDerWaalsContact N-O 3.11Å; L159-V166 HydrophobicContact CD1-CG2 3.85Å; L159-W176 HydrophobicContact CD1-CE3 4.02Å; L159-W176 HydrophobicContact CD1-CH2 4.26Å; L159-W176 HydrophobicContact CD1-CZ3 3.42Å; L159-W176 VanDerWaalsContact CD1-CZ3 3.42Å; L159-L200 HydrophobicContact CD2-CD1 4.18Å; L159-L200 HydrophobicContact CD2-CD2 4.29Å; L159-L200 HydrophobicContact CG-CD1 4.27Å; L159-D204 HydrophobicContact CD2-CB 3.57Å
160	K	73.9	Confident	88	Confident	124 Å²	124	41.5 Å²	41.5	54%	0.539	20%	0.198	S	C	.	.	S	Bend	trans	-77.3	-28.6	-174.4	-63.7	-178.6	-179.9	179.4	0	113.4	D204	K160-D204 WeakPolarHBondContact CB-OD2 3.41Å; K160-D204 PolarHBondContact N-OD2 3.08Å
161	D	69.4	Low	88.1	Confident	101 Å²	101	33.8 Å²	33.8	54%	0.54	17%	0.166	S	C	.	.	S	Bend	trans	-92.4	-20.9	-170.5	-69.4	-14.9	0	0	0	113.8	R223	D161-R223 IonicContact OD2-CZ 3.52Å; D161-R223 VanDerWaalsContact OD2-CZ 3.24Å; D161-R223 IonicContact OD2-NH1 2.97Å; D161-R223 PolarHBondContact OD2-NH1 3.41Å; D161-R223 IonicContact OD2-NH2 3.95Å; D161-R223 PolarHBondContact OD2-NH2 3.21Å
162	K	70.6	Confident	88	Confident	123 Å²	123	32.6 Å²	32.6	54%	0.535	16%	0.161	S	C	.	.	S	Bend	trans	-148.5	161	-177.4	-73.8	-165	174.2	-168.3	0	111.1	L159 L164	L159-K162 VanDerWaalsContact O-O 3.11Å; K162-L164 HydrophobicContact CB-CD1 4.45Å; K162-L164 HydrophobicContact CB-CG 4.21Å; K162-L164 PolarHBondContact O-N 2.94Å
163	N	83.7	Confident	87.9	Confident	67 Å²	67	33.9 Å²	33.9	36%	0.358	16%	0.164	S	C	.	.	S	Bend	trans	-69.1	50.4	174.8	-76.6	-5.3	0	0	0	113.6	L179 D180	N163-L179 HydrophobicContact CB-CB 4.29Å; N163-L179 HydrophobicContact CB-CD1 4.48Å; N163-L179 VanDerWaalsContact O-CB 3.3Å; N163-L179 WeakPolarHBondContact O-CB 3.49Å; N163-L179 WeakPolarHBondContact O-CG 3.34Å; N163-L179 PolarHBondContact O-N 2.88Å; N163-D180 PolarHBondContact ND2-OD1 3.45Å
164	L	88.4	Confident	87.7	Confident	9 Å²	9	33.9 Å²	33.9	5%	0.047	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	145.8	179	-64.2	-179.8	0	0	0	110.2	L159 K162 W177 D178 F185 L265	L159-L164 HydrophobicContact CB-CB 4.27Å; L159-L164 HydrophobicContact CD1-CB 3.4Å; L159-L164 VanDerWaalsContact CD1-CB 3.4Å; L159-L164 HydrophobicContact CD1-CD1 4.23Å; L159-L164 HydrophobicContact CD1-CG 4.46Å; L159-L164 HydrophobicContact CG-CB 4.43Å; L159-L164 PolarHBondContact N-O 3.36Å; L159-L164 VanDerWaalsContact N-O 3.11Å; K162-L164 HydrophobicContact CB-CD1 4.45Å; K162-L164 HydrophobicContact CB-CG 4.21Å; K162-L164 PolarHBondContact O-N 2.94Å; L164-W177 WeakPolarHBondContact CA-O 3.47Å; L164-D178 HydrophobicContact CD2-CB 3.83Å; L164-F185 HydrophobicContact CD2-CE1 3.99Å; L164-L265 HydrophobicContact CD1-CD1 4.35Å
165	L	90.9	Very high	87.7	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137.6	178.7	177.6	73.8	0	0	0	110.1	V124 V132 V134 L146 L157 F158 W176 W177 L179	V124-L165 HydrophobicContact CB-CD1 4.18Å; V124-L165 HydrophobicContact CG1-CD1 4.08Å; V124-L165 HydrophobicContact CG1-CD2 4.21Å; V124-L165 HydrophobicContact CG2-CD1 3.44Å; V124-L165 VanDerWaalsContact CG2-CD1 3.44Å; V124-L165 HydrophobicContact CG2-CD2 4.02Å; V124-L165 HydrophobicContact CG2-CG 4.38Å; V132-L165 HydrophobicContact CG1-CD2 3.85Å; V134-L165 HydrophobicContact CG2-CD2 4.2Å; L146-L165 HydrophobicContact CD1-CD2 3.69Å; L157-L165 WeakPolarHBondContact O-CD1 3.36Å; F158-L165 HydrophobicContact CD1-CD1 4Å; F158-L165 HydrophobicContact CE1-CD1 4.25Å; F158-L165 HydrophobicContact CG-CD1 4.34Å; L165-W176 WeakPolarHBondContact O-CA 3.45Å; L165-W177 HydrophobicContact CB-CB 4.17Å; L165-W177 PolarHBondContact N-O 3.2Å; L165-W177 PolarHBondContact O-N 3.41Å; L165-L179 HydrophobicContact CB-CD2 4.07Å; L165-L179 HydrophobicContact CB-CG 4.36Å; L165-L179 HydrophobicContact CD2-CD2 4.39Å
166	V	91.8	Very high	87.7	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.1	173.9	-168.9	0	0	0	0	108.9	A156 L157 L159 V174 K175 W176 M198 L207	A156-V166 CarbonylContact C-O 3.45Å; A156-V166 WeakPolarHBondContact CA-O 3.21Å; L157-V166 PolarHBondContact N-O 3.39Å; L157-V166 PolarHBondContact O-N 2.85Å; L159-V166 HydrophobicContact CD1-CG2 3.85Å; V166-V174 HydrophobicContact CG1-CG1 3.5Å; V166-K175 WeakPolarHBondContact CA-O 3.42Å; V166-W176 HydrophobicContact CG1-CD2 4.41Å; V166-W176 HydrophobicContact CG1-CZ2 4.38Å; V166-W176 HydrophobicContact CG2-CD2 3.73Å; V166-W176 HydrophobicContact CG2-CE3 3.57Å; V166-W176 HydrophobicContact CG2-CG 4.5Å; V166-W176 HydrophobicContact CG2-CH2 3.77Å; V166-W176 HydrophobicContact CG2-CZ2 3.92Å; V166-W176 HydrophobicContact CG2-CZ3 3.62Å; V166-M198 HydrophobicContact CB-CE 4.1Å; V166-M198 HydrophobicContact CB-SD 4.34Å; V166-M198 HydrophobicContact CG1-CE 3.89Å; V166-M198 HydrophobicContact CG1-SD 3.55Å; V166-M198 VanDerWaalsContact CG1-SD 3.55Å; V166-M198 VanDerWaalsContact O-CE 3.31Å; V166-M198 WeakPolarHBondContact O-CE 3.47Å; V166-L207 HydrophobicContact CG1-CD2 4.36Å
167	S	93	Very high	87.6	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.7	176	59.7	0	0	0	0	111.5	H149 Q155 V174 K175 W177	H149-S167 PolarHBondContact CD2-OG 3.47Å; H149-S167 PolarHBondContact NE2-OG 2.94Å; Q155-S167 WeakPolarHBondContact O-CA 2.92Å; S167-V174 CarbonylContact O-C 3.58Å; S167-V174 VanDerWaalsContact O-CA 3.3Å; S167-V174 WeakPolarHBondContact O-CA 3.44Å; S167-V174 WeakPolarHBondContact O-CG1 3.47Å; S167-K175 PolarHBondContact N-O 3.36Å; S167-K175 PolarHBondContact O-N 2.97Å; S167-W177 PolarHBondContact OG-NE1 3.47Å
168	S	92.1	Very high	87.5	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	143.8	171.4	64.6	0	0	0	0	110.3	T154 Q155	T154-S168 PolarHBondContact N-O 3.44Å; T154-S168 PolarHBondContact OG1-O 2.93Å; T154-S168 VanDerWaalsContact OG1-O 3.12Å; T154-S168 PolarHBondContact OG1-OG 2.73Å; Q155-S168 WeakPolarHBondContact CB-OG 3.48Å; Q155-S168 PolarHBondContact N-O 2.87Å; Q155-S168 PolarHBondContact N-OG 2.73Å; Q155-S168 PolarHBondContact O-N 3.47Å; Q155-S168 PolarHBondContact O-OG 2.84Å
169	S	92.9	Very high	87.2	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	162.5	177.9	169.8	0	0	0	0	111.8	H149 D151 V152 D171 S172 F173 V195	H149-S169 WeakPolarHBondContact ND1-CB 3.4Å; D151-S169 VanDerWaalsContact C-OG 3.26Å; D151-S169 PolarHBondContact O-OG 3.15Å; V152-S169 WeakPolarHBondContact O-CA 3.24Å; V152-S169 PolarHBondContact O-OG 3.09Å; S169-D171 VanDerWaalsContact CB-OD1 3.25Å; S169-D171 WeakPolarHBondContact CB-OD1 3.29Å; S169-D171 PolarHBondContact O-N 3.03Å; S169-D171 VanDerWaalsContact OG-CG 3.28Å; S169-D171 PolarHBondContact OG-N 2.83Å; S169-D171 VanDerWaalsContact OG-N 3.15Å; S169-D171 PolarHBondContact OG-OD1 3.38Å; S169-S172 PolarHBondContact O-N 3.38Å; S169-F173 PolarHBondContact N-O 3.04Å; S169-V195 PolarHBondContact O-N 3.43Å
170	K	91.8	Very high	87.3	Confident	64 Å²	64	35.7 Å²	35.7	28%	0.278	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.4	169.8	-169.1	174.3	160.8	-118.2	0	112.4	D151 V152 T154 S172 E194 W196	D151-K170 HydrophobicContact CB-CB 4.11Å; D151-K170 WeakPolarHBondContact OD2-CD 3.48Å; D151-K170 WeakPolarHBondContact OD2-CG 3.23Å; D151-K170 IonicContact OD2-NZ 2.8Å; D151-K170 PolarHBondContact OD2-NZ 2.97Å; V152-K170 PolarHBondContact O-N 3.45Å; T154-K170 HydrophobicContact CG2-CB 4.42Å; K170-S172 PolarHBondContact O-N 3.11Å; K170-E194 VanDerWaalsContact CE-CD 3.47Å; K170-E194 WeakPolarHBondContact CE-OE1 3.3Å; K170-E194 HydrophobicContact CG-CB 3.97Å; K170-E194 VanDerWaalsContact CG-CD 3.46Å; K170-E194 HydrophobicContact CG-CG 3.72Å; K170-E194 IonicContact NZ-OE1 2.89Å; K170-E194 WeakPolarHBondContact O-CG 3.34Å; K170-W196 HydrophobicContact CD-CZ2 4.47Å
171	D	90.3	Very high	87.7	Confident	23 Å²	23	33.4 Å²	33.4	12%	0.123	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	6.7	172.6	68.7	12.5	0	0	0	115	H149 K150 D151 S169 F173	H149-D171 WeakPolarHBondContact CA-OD2 3.4Å; H149-D171 IonicContact CG-OD2 2.83Å; H149-D171 IonicContact ND1-OD1 3.74Å; H149-D171 IonicContact ND1-OD2 3.12Å; H149-D171 PolarHBondContact ND1-OD2 2.86Å; K150-D171 HydrophobicContact CB-CB 4.22Å; K150-D171 PolarHBondContact N-OD2 2.86Å; D151-D171 HydrophobicContact CB-CB 4.09Å; S169-D171 VanDerWaalsContact CB-OD1 3.25Å; S169-D171 WeakPolarHBondContact CB-OD1 3.29Å; S169-D171 PolarHBondContact O-N 3.03Å; S169-D171 VanDerWaalsContact OG-CG 3.28Å; S169-D171 PolarHBondContact OG-N 2.83Å; S169-D171 VanDerWaalsContact OG-N 3.15Å; S169-D171 PolarHBondContact OG-OD1 3.38Å; D171-F173 HydrophobicContact CB-CD2 4.22Å; D171-F173 VanDerWaalsContact O-CD2 3.31Å; D171-F173 WeakPolarHBondContact O-CD2 3.04Å; D171-F173 PolarHBondContact O-N 3.26Å; D171-F173 WeakPolarHBondContact OD1-CB 3.28Å; D171-F173 PolarHBondContact OD1-N 3.1Å
172	S	89.8	Confident	88.4	Confident	24 Å²	24	31.9 Å²	31.9	17%	0.168	16%	0.16	C	C	.	.	S	Bend	trans	73.1	-4.7	-177.1	75.6	0	0	0	0	115.6	S169 K170 S193	S169-S172 PolarHBondContact O-N 3.38Å; K170-S172 PolarHBondContact O-N 3.11Å; S172-S193 VanDerWaalsContact CB-O 3.26Å; S172-S193 WeakPolarHBondContact CB-O 3.37Å
173	F	91.3	Very high	89.1	Confident	61 Å²	61	28.9 Å²	28.9	27%	0.268	15%	0.148	S	C	.	.			trans	-95.3	149.4	-178.1	-58.4	-61.3	0	0	0	112.2	S169 D171 T187 V189	S169-F173 PolarHBondContact N-O 3.04Å; D171-F173 HydrophobicContact CB-CD2 4.22Å; D171-F173 VanDerWaalsContact O-CD2 3.31Å; D171-F173 WeakPolarHBondContact O-CD2 3.04Å; D171-F173 PolarHBondContact O-N 3.26Å; D171-F173 WeakPolarHBondContact OD1-CB 3.28Å; D171-F173 PolarHBondContact OD1-N 3.1Å; F173-T187 HydrophobicContact CB-CG2 3.99Å; F173-T187 HydrophobicContact CD1-CG2 3.97Å; F173-T187 HydrophobicContact CG-CG2 4.04Å; F173-V189 HydrophobicContact CD1-CG2 4.18Å; F173-V189 HydrophobicContact CE1-CG1 4.33Å; F173-V189 HydrophobicContact CE1-CG2 3.93Å
174	V	91.4	Very high	89.2	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.8	165.1	-179.1	0	0	0	0	107.4	V166 S167 M188 V195 M198 L207 T209	V166-V174 HydrophobicContact CG1-CG1 3.5Å; S167-V174 CarbonylContact O-C 3.58Å; S167-V174 VanDerWaalsContact O-CA 3.3Å; S167-V174 WeakPolarHBondContact O-CA 3.44Å; S167-V174 WeakPolarHBondContact O-CG1 3.47Å; V174-M188 HydrophobicContact CB-CB 4.28Å; V174-M188 HydrophobicContact CB-CE 3.62Å; V174-M188 HydrophobicContact CG1-CE 3.6Å; V174-M188 HydrophobicContact CG2-CE 4.22Å; V174-M188 PolarHBondContact O-N 2.93Å; V174-V195 HydrophobicContact CG2-CG1 4.29Å; V174-V195 HydrophobicContact CG2-CG2 4.42Å; V174-M198 HydrophobicContact CG1-SD 3.82Å; V174-L207 HydrophobicContact CG1-CD2 4.25Å; V174-T209 HydrophobicContact CG2-CG2 4.17Å
175	K	91.6	Very high	89.2	Confident	26 Å²	26	28.1 Å²	28.1	11%	0.113	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	144.2	-177.2	-72.4	-170.1	164.2	-156.1	0	111.2	G148 V166 S167 W177 T187	G148-K175 VanDerWaalsContact C-NZ 3.33Å; G148-K175 WeakPolarHBondContact O-CE 3.39Å; G148-K175 PolarHBondContact O-NZ 2.73Å; V166-K175 WeakPolarHBondContact CA-O 3.42Å; S167-K175 PolarHBondContact N-O 3.36Å; S167-K175 PolarHBondContact O-N 2.97Å; K175-W177 HydrophobicContact CB-CZ2 4.17Å; K175-W177 HydrophobicContact CD-CH2 4.44Å; K175-W177 HydrophobicContact CD-CZ2 3.88Å; K175-T187 HydrophobicContact CG-CG2 4.25Å
176	W	90.7	Very high	88.8	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.8	175	-66.7	70.1	0	0	0	108.8	L159 L165 V166 C184 F185 K186 M188 L207 I221 L265	L159-W176 HydrophobicContact CD1-CE3 4.02Å; L159-W176 HydrophobicContact CD1-CH2 4.26Å; L159-W176 HydrophobicContact CD1-CZ3 3.42Å; L159-W176 VanDerWaalsContact CD1-CZ3 3.42Å; L165-W176 WeakPolarHBondContact O-CA 3.45Å; V166-W176 HydrophobicContact CG1-CD2 4.41Å; V166-W176 HydrophobicContact CG1-CZ2 4.38Å; V166-W176 HydrophobicContact CG2-CD2 3.73Å; V166-W176 HydrophobicContact CG2-CE3 3.57Å; V166-W176 HydrophobicContact CG2-CG 4.5Å; V166-W176 HydrophobicContact CG2-CH2 3.77Å; V166-W176 HydrophobicContact CG2-CZ2 3.92Å; V166-W176 HydrophobicContact CG2-CZ3 3.62Å; W176-C184 WeakPolarHBondContact O-CA 3.21Å; W176-F185 HydrophobicContact CB-CD1 4.32Å; W176-F185 HydrophobicContact CB-CE1 3.66Å; W176-F185 HydrophobicContact CB-CE2 4.38Å; W176-F185 HydrophobicContact CB-CZ 3.69Å; W176-F185 HydrophobicContact CE3-CZ 4.26Å; W176-F185 HydrophobicContact CG-CZ 4.39Å; W176-F185 PolarHBondContact O-N 3.42Å; W176-K186 HydrophobicContact CB-CB 4.07Å; W176-K186 HydrophobicContact CG-CB 4.36Å; W176-K186 PolarHBondContact N-O 3.02Å; W176-M188 PolarHBondContact NE1-SD 3.4Å; W176-M188 VanDerWaalsContact NE1-SD 3.43Å; W176-L207 HydrophobicContact CZ2-CD2 4.29Å; W176-I221 HydrophobicContact CH2-CD1 3.68Å; W176-I221 HydrophobicContact CH2-CG1 3.88Å; W176-I221 HydrophobicContact CH2-CG2 4.43Å; W176-I221 HydrophobicContact CZ2-CD1 4.22Å; W176-I221 HydrophobicContact CZ2-CG1 4.21Å; W176-L265 HydrophobicContact CD2-CD2 4.43Å; W176-L265 HydrophobicContact CE3-CD2 4.03Å; W176-L265 HydrophobicContact CH2-CD1 4.46Å; W176-L265 HydrophobicContact CH2-CD2 3.74Å; W176-L265 HydrophobicContact CZ2-CD2 4.15Å; W176-L265 HydrophobicContact CZ3-CD1 3.88Å; W176-L265 HydrophobicContact CZ3-CD2 3.64Å; W176-L265 HydrophobicContact CZ3-CG 4.4Å
177	W	90.4	Very high	88.7	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.2	-178.4	-50.8	87.8	0	0	0	108.4	L146 L164 L165 S167 K175 C184	L146-W177 HydrophobicContact CB-CD2 4.15Å; L146-W177 HydrophobicContact CB-CE3 3.91Å; L146-W177 HydrophobicContact CB-CH2 4.08Å; L146-W177 HydrophobicContact CB-CZ2 4.33Å; L146-W177 HydrophobicContact CB-CZ3 3.87Å; L146-W177 HydrophobicContact CD1-CB 3.95Å; L146-W177 HydrophobicContact CD1-CD2 3.86Å; L146-W177 HydrophobicContact CD1-CE3 4.09Å; L146-W177 HydrophobicContact CD1-CG 3.8Å; L146-W177 HydrophobicContact CD2-CE3 3.89Å; L146-W177 HydrophobicContact CD2-CZ3 4.31Å; L146-W177 HydrophobicContact CG-CD2 4.4Å; L146-W177 HydrophobicContact CG-CE3 4.17Å; L164-W177 WeakPolarHBondContact CA-O 3.47Å; L165-W177 HydrophobicContact CB-CB 4.17Å; L165-W177 PolarHBondContact N-O 3.2Å; L165-W177 PolarHBondContact O-N 3.41Å; S167-W177 PolarHBondContact OG-NE1 3.47Å; K175-W177 HydrophobicContact CB-CZ2 4.17Å; K175-W177 HydrophobicContact CD-CH2 4.44Å; K175-W177 HydrophobicContact CD-CZ2 3.88Å; W177-C184 HydrophobicContact CD2-CB 4.23Å; W177-C184 HydrophobicContact CE3-CB 3.71Å; W177-C184 HydrophobicContact CH2-CB 3.94Å; W177-C184 HydrophobicContact CZ2-CB 4.42Å; W177-C184 HydrophobicContact CZ3-CB 3.56Å
178	D	88.3	Confident	88.3	Confident	15 Å²	15	34.6 Å²	34.6	8%	0.08	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	123.8	164.6	177.9	20.3	0	0	0	108.5	L164 D180 T181 Q182 H183 F185	L164-D178 HydrophobicContact CD2-CB 3.83Å; D178-D180 VanDerWaalsContact C-N 3.31Å; D178-D180 PolarHBondContact OD1-N 3.2Å; D178-T181 VanDerWaalsContact CB-OG1 3.27Å; D178-T181 WeakPolarHBondContact CB-OG1 3.4Å; D178-T181 WeakPolarHBondContact OD2-CG2 3.25Å; D178-T181 PolarHBondContact OD2-OG1 3.34Å; D178-Q182 VanDerWaalsContact O-CA 3.23Å; D178-Q182 WeakPolarHBondContact O-CA 3.23Å; D178-Q182 PolarHBondContact O-N 3.18Å; D178-H183 PolarHBondContact N-O 2.91Å; D178-F185 HydrophobicContact CB-CD1 4.03Å; D178-F185 HydrophobicContact CB-CE1 4.39Å
179	L	85.3	Confident	87.8	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.01	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-21.8	-176.7	-60.3	172	0	0	0	111.8	V134 Y144 L146 F158 N163 L165	V134-L179 HydrophobicContact CG2-CD2 3.96Å; Y144-L179 HydrophobicContact CD2-CD2 4.49Å; L146-L179 HydrophobicContact CD1-CD2 4.5Å; F158-L179 HydrophobicContact CD1-CD1 4.12Å; F158-L179 HydrophobicContact CE1-CD1 3.75Å; N163-L179 HydrophobicContact CB-CB 4.29Å; N163-L179 HydrophobicContact CB-CD1 4.48Å; N163-L179 VanDerWaalsContact O-CB 3.3Å; N163-L179 WeakPolarHBondContact O-CB 3.49Å; N163-L179 WeakPolarHBondContact O-CG 3.34Å; N163-L179 PolarHBondContact O-N 2.88Å; L165-L179 HydrophobicContact CB-CD2 4.07Å; L165-L179 HydrophobicContact CB-CG 4.36Å; L165-L179 HydrophobicContact CD2-CD2 4.39Å
180	D	86.3	Confident	86.9	Confident	110 Å²	110	41.3 Å²	41.3	59%	0.588	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-40	-179.8	-63.6	-25.8	0	0	0	110.3	N163 D178	N163-D180 PolarHBondContact ND2-OD1 3.45Å; D178-D180 VanDerWaalsContact C-N 3.31Å; D178-D180 PolarHBondContact OD1-N 3.2Å
181	T	82.8	Confident	86.4	Confident	77 Å²	77	39 Å²	39	47%	0.472	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-10.8	-179.2	55.5	0	0	0	0	114.1	D178 H183	D178-T181 VanDerWaalsContact CB-OG1 3.27Å; D178-T181 WeakPolarHBondContact CB-OG1 3.4Å; D178-T181 WeakPolarHBondContact OD2-CG2 3.25Å; D178-T181 PolarHBondContact OD2-OG1 3.34Å; T181-H183 VanDerWaalsContact C-N 3.27Å; T181-H183 VanDerWaalsContact CB-CE1 3.43Å; T181-H183 WeakPolarHBondContact CB-CE1 3.18Å; T181-H183 WeakPolarHBondContact CB-ND1 3.32Å; T181-H183 PolarHBondContact O-N 2.96Å; T181-H183 PolarHBondContact OG1-CE1 3.39Å; T181-H183 PolarHBondContact OG1-ND1 3.5Å
182	Q	84.4	Confident	86.1	Confident	69 Å²	69	49.6 Å²	49.6	32%	0.322	25%	0.252	S	S	.	.			trans	59.5	27.4	173.7	-56.1	166	35.6	0	0	115.4	Y144 D178 A743	Y144-Q182 HydrophobicContact CD1-CG 3.76Å; Y144-Q182 HydrophobicContact CE1-CG 3.86Å; Y144-Q182 HydrophobicContact CG-CG 4.16Å; D178-Q182 VanDerWaalsContact O-CA 3.23Å; D178-Q182 WeakPolarHBondContact O-CA 3.23Å; D178-Q182 PolarHBondContact O-N 3.18Å; Q182-A743 HydrophobicContact CB-CB 3.87Å
183	H	85	Confident	86	Confident	60 Å²	60	49.6 Å²	49.6	28%	0.278	25%	0.252	S	S	.	.	S	Bend	trans	-122.7	158.6	176.5	70.7	-76.2	0	0	0	111.7	D178 T181 F185	D178-H183 PolarHBondContact N-O 2.91Å; T181-H183 VanDerWaalsContact C-N 3.27Å; T181-H183 VanDerWaalsContact CB-CE1 3.43Å; T181-H183 WeakPolarHBondContact CB-CE1 3.18Å; T181-H183 WeakPolarHBondContact CB-ND1 3.32Å; T181-H183 PolarHBondContact O-N 2.96Å; T181-H183 PolarHBondContact OG1-CE1 3.39Å; T181-H183 PolarHBondContact OG1-ND1 3.5Å; H183-F185 PolarHBondContact O-N 2.82Å
184	C	86.1	Confident	86	Confident	19 Å²	19	49.6 Å²	49.6	13%	0.128	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	93.9	173.4	175.3	0	0	0	0	110.1	W176 W177 K186 E742	W176-C184 WeakPolarHBondContact O-CA 3.21Å; W177-C184 HydrophobicContact CD2-CB 4.23Å; W177-C184 HydrophobicContact CE3-CB 3.71Å; W177-C184 HydrophobicContact CH2-CB 3.94Å; W177-C184 HydrophobicContact CZ2-CB 4.42Å; W177-C184 HydrophobicContact CZ3-CB 3.56Å; C184-K186 PolarHBondContact O-N 2.88Å; C184-E742 PolarHBondContact N-OE2 2.83Å
185	F	86.5	Confident	86	Confident	41 Å²	41	49.6 Å²	49.6	18%	0.18	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-20.8	-179.3	75.7	-88.9	0	0	0	113.9	L164 W176 D178 H183 L265	L164-F185 HydrophobicContact CD2-CE1 3.99Å; W176-F185 HydrophobicContact CB-CD1 4.32Å; W176-F185 HydrophobicContact CB-CE1 3.66Å; W176-F185 HydrophobicContact CB-CE2 4.38Å; W176-F185 HydrophobicContact CB-CZ 3.69Å; W176-F185 HydrophobicContact CE3-CZ 4.26Å; W176-F185 HydrophobicContact CG-CZ 4.39Å; W176-F185 PolarHBondContact O-N 3.42Å; D178-F185 HydrophobicContact CB-CD1 4.03Å; D178-F185 HydrophobicContact CB-CE1 4.39Å; H183-F185 PolarHBondContact O-N 2.82Å; F185-L265 HydrophobicContact CE2-CB 4.37Å; F185-L265 HydrophobicContact CZ-CB 4.5Å
186	K	84.1	Confident	85.8	Confident	58 Å²	58	51.5 Å²	51.5	25%	0.252	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	123.9	-178.8	-170.1	-179.6	-163.6	111.9	0	113.1	W176 C184 L265	W176-K186 HydrophobicContact CB-CB 4.07Å; W176-K186 HydrophobicContact CG-CB 4.36Å; W176-K186 PolarHBondContact N-O 3.02Å; C184-K186 PolarHBondContact O-N 2.88Å; K186-L265 PolarHBondContact NZ-O 3.25Å
187	T	89.4	Confident	85.5	Confident	62 Å²	62	51.5 Å²	51.5	38%	0.38	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	123	169.3	-60	0	0	0	0	109.5	F173 K175	F173-T187 HydrophobicContact CB-CG2 3.99Å; F173-T187 HydrophobicContact CD1-CG2 3.97Å; F173-T187 HydrophobicContact CG-CG2 4.04Å; K175-T187 HydrophobicContact CG-CG2 4.25Å
188	M	84.6	Confident	85.5	Confident	15 Å²	15	51.5 Å²	51.5	7%	0.074	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	120.8	177.8	-57.2	-157	-55.6	0	0	110.9	V174 W176 L207 W219 C267	V174-M188 HydrophobicContact CB-CB 4.28Å; V174-M188 HydrophobicContact CB-CE 3.62Å; V174-M188 HydrophobicContact CG1-CE 3.6Å; V174-M188 HydrophobicContact CG2-CE 4.22Å; V174-M188 PolarHBondContact O-N 2.93Å; W176-M188 PolarHBondContact NE1-SD 3.4Å; W176-M188 VanDerWaalsContact NE1-SD 3.43Å; M188-L207 HydrophobicContact CE-CD2 3.52Å; M188-W219 HydrophobicContact CE-CD2 4.5Å; M188-W219 HydrophobicContact CE-CG 4.46Å; M188-C267 HydrophobicContact SD-CB 3.79Å; M188-C267 PolarHBondContact SD-SG 3.17Å
189	V	81.6	Confident	85.4	Confident	111 Å²	111	51.1 Å²	51.1	67%	0.673	26%	0.258	S	S	*	.			trans	-107.4	121.7	175	-172.3	0	0	0	0	108.6	F173	F173-V189 HydrophobicContact CD1-CG2 4.18Å; F173-V189 HydrophobicContact CE1-CG1 4.33Å; F173-V189 HydrophobicContact CE1-CG2 3.93Å
190	G	73.3	Confident	85.5	Confident	31 Å²	31	51.8 Å²	51.8	32%	0.32	26%	0.262	S	S	.	.			trans	174.7	-4.1	177.8	0	0	0	0	0	115.6
191	H	82.8	Confident	85.2	Confident	15 Å²	15	46.7 Å²	46.7	7%	0.069	23%	0.234	C	C	.	.			trans	-94.8	136.1	164.8	-65.8	-92.3	0	0	0	109.1	S193 V195 T209 S211 R217 W219	H191-S193 WeakPolarHBondContact CB-O 3.49Å; H191-V195 HydrophobicContact CB-CG2 3.88Å; H191-V195 VanDerWaalsContact CG-CG2 3.49Å; H191-T209 PolarHBondContact CE1-OG1 3.38Å; H191-T209 PolarHBondContact NE2-OG1 3.18Å; H191-S211 PolarHBondContact ND1-OG 3.05Å; H191-R217 PolarHBondContact ND1-NH1 3.42Å; H191-R217 VanDerWaalsContact ND1-NH1 3.16Å; H191-W219 AromaticContact NE2-CZ2 3.78Å; H191-W219 AromaticContact NE2-NE1 3.81Å
192	R	83.4	Confident	84.5	Confident	245 Å²	245	45.9 Å²	45.9	93%	0.925	23%	0.227	S	C	*	.	S	Bend	trans	-87.7	-15.9	170.4	-67.9	-175.3	177.1	-177.4	-1.5	112.2
193	S	88.2	Confident	83.7	Confident	24 Å²	24	52.7 Å²	52.7	17%	0.168	25%	0.25	C	C	.	.	S	Bend	trans	-129.3	169.5	-176	62.8	0	0	0	0	110.5	S172 H191 S211 D213	S172-S193 VanDerWaalsContact CB-O 3.26Å; S172-S193 WeakPolarHBondContact CB-O 3.37Å; H191-S193 WeakPolarHBondContact CB-O 3.49Å; S193-S211 PolarHBondContact O-OG 2.67Å; S193-S211 PolarHBondContact OG-OG 3.46Å; S193-D213 WeakPolarHBondContact CB-OD1 3.43Å; S193-D213 PolarHBondContact OG-OD1 3.35Å; S193-D213 PolarHBondContact OG-OD2 3.42Å
194	E	90.1	Very high	83	Confident	61 Å²	61	50.2 Å²	50.2	29%	0.285	24%	0.239	S	C	.	.			trans	-52.9	138.2	-179.2	-49.8	174	167.3	0	0	112.1	K170 W196 S211 A212	K170-E194 VanDerWaalsContact CE-CD 3.47Å; K170-E194 WeakPolarHBondContact CE-OE1 3.3Å; K170-E194 HydrophobicContact CG-CB 3.97Å; K170-E194 VanDerWaalsContact CG-CD 3.46Å; K170-E194 HydrophobicContact CG-CG 3.72Å; K170-E194 IonicContact NZ-OE1 2.89Å; K170-E194 WeakPolarHBondContact O-CG 3.34Å; E194-W196 VanDerWaalsContact OE2-CZ2 3.22Å; E194-W196 WeakPolarHBondContact OE2-CZ2 3.37Å; E194-W196 PolarHBondContact OE2-NE1 3.16Å; E194-S211 CarbonylContact O-C 3.58Å; E194-S211 WeakPolarHBondContact O-CA 3.26Å; E194-A212 PolarHBondContact O-N 3.03Å
195	V	90.6	Very high	82.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	116.9	175.7	-178.1	0	0	0	0	108.9	T154 S169 V174 H191	T154-V195 WeakPolarHBondContact CB-O 3.36Å; T154-V195 VanDerWaalsContact CG2-O 3.24Å; T154-V195 WeakPolarHBondContact CG2-O 3.4Å; T154-V195 PolarHBondContact OG1-O 3.07Å; S169-V195 PolarHBondContact O-N 3.43Å; V174-V195 HydrophobicContact CG2-CG1 4.29Å; V174-V195 HydrophobicContact CG2-CG2 4.42Å; H191-V195 HydrophobicContact CB-CG2 3.88Å; H191-V195 VanDerWaalsContact CG-CG2 3.49Å
196	W	88.4	Confident	82.6	Confident	66 Å²	66	52.2 Å²	52.2	25%	0.25	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-24.7	-173.2	-77.5	91.7	0	0	0	114	T154 K170 E194 G210 V281	T154-W196 HydrophobicContact CG2-CE3 4.29Å; K170-W196 HydrophobicContact CD-CZ2 4.47Å; E194-W196 VanDerWaalsContact OE2-CZ2 3.22Å; E194-W196 WeakPolarHBondContact OE2-CZ2 3.37Å; E194-W196 PolarHBondContact OE2-NE1 3.16Å; W196-G210 PolarHBondContact N-O 3.26Å; W196-V281 WeakPolarHBondContact CB-O 3.38Å
197	G	85.1	Confident	82.7	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	151.7	-178.4	0	0	0	0	0	112.1	T209 G210	G197-T209 CarbonylContact O-C 3.59Å; G197-T209 WeakPolarHBondContact O-CA 3.47Å; G197-G210 PolarHBondContact N-O 3.41Å; G197-G210 PolarHBondContact O-N 3.25Å
198	M	90	Very high	82.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	135	-173.9	-176.2	172.2	66.5	0	0	110.1	Q155 L157 V166 V174 L207 L208 T209	Q155-M198 HydrophobicContact CB-CB 4.25Å; Q155-M198 HydrophobicContact CG-CB 4.47Å; Q155-M198 PolarHBondContact NE2-O 3.27Å; Q155-M198 PolarHBondContact OE1-O 3.32Å; L157-M198 HydrophobicContact CB-CE 4.29Å; L157-M198 HydrophobicContact CD1-CE 4.07Å; L157-M198 HydrophobicContact CD1-CG 4.19Å; L157-M198 HydrophobicContact CG-CE 4.02Å; V166-M198 HydrophobicContact CB-CE 4.1Å; V166-M198 HydrophobicContact CB-SD 4.34Å; V166-M198 HydrophobicContact CG1-CE 3.89Å; V166-M198 HydrophobicContact CG1-SD 3.55Å; V166-M198 VanDerWaalsContact CG1-SD 3.55Å; V166-M198 VanDerWaalsContact O-CE 3.31Å; V166-M198 WeakPolarHBondContact O-CE 3.47Å; V174-M198 HydrophobicContact CG1-SD 3.82Å; M198-L207 HydrophobicContact CG-CD1 3.48Å; M198-L207 VanDerWaalsContact CG-CD1 3.48Å; M198-L207 HydrophobicContact CG-CD2 4.49Å; M198-L207 HydrophobicContact CG-CG 4.19Å; M198-L207 HydrophobicContact SD-CD1 3.9Å; M198-L207 HydrophobicContact SD-CD2 4.23Å; M198-L208 CarbonylContact C-O 3.59Å; M198-L208 WeakPolarHBondContact CA-O 3.25Å; M198-T209 HydrophobicContact CG-CG2 4.38Å
199	V	86.6	Confident	82.9	Confident	7 Å²	7	45.9 Å²	45.9	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	134.4	179.1	164	0	0	0	0	110.1	L201 L208 L284 A286	V199-L201 HydrophobicContact CG1-CD2 3.59Å; V199-L201 HydrophobicContact CG1-CG 4.08Å; V199-L208 PolarHBondContact N-O 3.27Å; V199-L208 PolarHBondContact O-N 2.99Å; V199-L284 HydrophobicContact CB-CD2 3.78Å; V199-L284 HydrophobicContact CB-CG 4.22Å; V199-L284 HydrophobicContact CG2-CB 4.12Å; V199-L284 HydrophobicContact CG2-CD2 3.67Å; V199-L284 HydrophobicContact CG2-CG 3.6Å; V199-L284 VanDerWaalsContact CG2-O 3.32Å; V199-L284 WeakPolarHBondContact CG2-O 3.3Å; V199-A286 HydrophobicContact CG1-CB 3.41Å; V199-A286 VanDerWaalsContact CG1-CB 3.41Å; V199-A286 HydrophobicContact CG2-CB 4.28Å
200	L	86.3	Confident	83.2	Confident	17 Å²	17	40.6 Å²	40.6	9%	0.089	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	134.2	169.3	-71.4	165.8	0	0	0	110.5	L157 F158 L159 R206 L207 I221 A290	L157-L200 HydrophobicContact CB-CD1 4.09Å; L157-L200 HydrophobicContact CD1-CD1 4.34Å; L157-L200 HydrophobicContact CD1-CG 4.15Å; F158-L200 WeakPolarHBondContact O-CD1 3.25Å; L159-L200 HydrophobicContact CD2-CD1 4.18Å; L159-L200 HydrophobicContact CD2-CD2 4.29Å; L159-L200 HydrophobicContact CG-CD1 4.27Å; L200-R206 CarbonylContact C-O 3.59Å; L200-R206 WeakPolarHBondContact CA-O 3.36Å; L200-L207 HydrophobicContact CD2-CB 4.47Å; L200-L207 HydrophobicContact CD2-CD1 3.64Å; L200-L207 HydrophobicContact CG-CD1 4.04Å; L200-I221 HydrophobicContact CD2-CD1 3.91Å; L200-A290 WeakPolarHBondContact O-CB 3.44Å
201	L	79.9	Confident	83.8	Confident	3 Å²	3	39.1 Å²	39.1	2%	0.016	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	157.2	-175.6	-59.3	173.6	0	0	0	111.2	V199 R203 D204 N205 R206 L208 A290 I293 V307 I352	V199-L201 HydrophobicContact CG1-CD2 3.59Å; V199-L201 HydrophobicContact CG1-CG 4.08Å; L201-R203 PolarHBondContact O-N 2.74Å; L201-D204 PolarHBondContact O-N 2.97Å; L201-D204 VanDerWaalsContact O-N 3.14Å; L201-N205 PolarHBondContact O-N 2.84Å; L201-R206 HydrophobicContact CB-CB 4.08Å; L201-R206 PolarHBondContact N-O 3.44Å; L201-R206 PolarHBondContact O-N 2.96Å; L201-L208 HydrophobicContact CD1-CB 3.93Å; L201-L208 HydrophobicContact CD1-CD2 4.44Å; L201-A290 HydrophobicContact CD2-CB 4.33Å; L201-A290 WeakPolarHBondContact CD2-O 3.31Å; L201-I293 HydrophobicContact CD1-CD1 3.47Å; L201-I293 VanDerWaalsContact CD1-CD1 3.47Å; L201-I293 HydrophobicContact CD2-CD1 3.51Å; L201-I293 HydrophobicContact CD2-CG1 3.71Å; L201-I293 HydrophobicContact CG-CD1 4.1Å; L201-V307 HydrophobicContact CD1-CG2 4.08Å; L201-V307 HydrophobicContact CD2-CG2 4.09Å; L201-I352 HydrophobicContact CD1-CD1 4.2Å
202	D	68.7	Low	83.8	Confident	60 Å²	60	39.8 Å²	39.8	32%	0.321	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	58.1	171.1	-165.5	34	0	0	0	114.2	D204 N205	D202-D204 PolarHBondContact O-N 3.45Å; D202-N205 WeakPolarHBondContact O-CB 3.32Å; D202-N205 PolarHBondContact O-N 3.48Å
203	R	67.2	Low	83.8	Confident	211 Å²	211	30.5 Å²	30.5	80%	0.796	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	41.3	-177.4	-56.5	179.1	172.6	-178.6	-3.1	112.7	L201 N205 R223	L201-R203 PolarHBondContact O-N 2.74Å; R203-N205 VanDerWaalsContact C-N 3.28Å; R203-N205 PolarHBondContact O-N 3.48Å; R203-R223 PolarHBondContact O-NH2 3.21Å
204	D	71.5	Confident	83.5	Confident	8 Å²	8	31 Å²	31	4%	0.043	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	22	175.1	-49.6	-18.4	0	0	0	115	L159 K160 L201 D202 I221	L159-D204 HydrophobicContact CD2-CB 3.57Å; K160-D204 WeakPolarHBondContact CB-OD2 3.41Å; K160-D204 PolarHBondContact N-OD2 3.08Å; L201-D204 PolarHBondContact O-N 2.97Å; L201-D204 VanDerWaalsContact O-N 3.14Å; D202-D204 PolarHBondContact O-N 3.45Å; D204-I221 WeakPolarHBondContact O-CD1 3.43Å
205	N	77.8	Confident	83.2	Confident	64 Å²	64	30.6 Å²	30.6	34%	0.342	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-13.1	171.7	-71.2	-20.3	0	0	0	112.6	L201 D202 R203 I221	L201-N205 PolarHBondContact O-N 2.84Å; D202-N205 WeakPolarHBondContact O-CB 3.32Å; D202-N205 PolarHBondContact O-N 3.48Å; R203-N205 VanDerWaalsContact C-N 3.28Å; R203-N205 PolarHBondContact O-N 3.48Å; N205-I221 WeakPolarHBondContact O-CB 3.48Å; N205-I221 PolarHBondContact O-N 2.7Å
206	R	84.4	Confident	83	Confident	39 Å²	39	30.6 Å²	30.6	15%	0.147	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	142	-179.7	-76.5	-177	172	-179.2	1.3	112.6	L200 L201 W219 D220 E351	L200-R206 CarbonylContact C-O 3.59Å; L200-R206 WeakPolarHBondContact CA-O 3.36Å; L201-R206 HydrophobicContact CB-CB 4.08Å; L201-R206 PolarHBondContact N-O 3.44Å; L201-R206 PolarHBondContact O-N 2.96Å; R206-W219 CarbonylContact C-O 3.51Å; R206-W219 VanDerWaalsContact CA-O 3.31Å; R206-W219 WeakPolarHBondContact CA-O 3.18Å; R206-D220 WeakPolarHBondContact CG-OD1 3.47Å; R206-D220 IonicContact CZ-OD1 3.24Å; R206-D220 IonicContact NE-OD1 2.93Å; R206-D220 PolarHBondContact NE-OD1 3.25Å; R206-D220 IonicContact NH2-OD1 3.05Å; R206-E351 IonicContact CZ-OE2 3.05Å; R206-E351 VanDerWaalsContact NH1-CD 3.33Å; R206-E351 IonicContact NH1-OE1 3.83Å; R206-E351 IonicContact NH1-OE2 2.82Å; R206-E351 PolarHBondContact NH1-OE2 3.12Å; R206-E351 VanDerWaalsContact NH2-CD 3.33Å; R206-E351 IonicContact NH2-OE1 2.65Å; R206-E351 PolarHBondContact NH2-OE1 3.23Å; R206-E351 IonicContact NH2-OE2 2.88Å; R206-E351 PolarHBondContact NH2-OE2 2.87Å
207	L	87.5	Confident	83	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.9	173.1	-174.1	70.9	0	0	0	109.1	V166 V174 W176 M188 M198 L200 T209 A218 W219 I221	V166-L207 HydrophobicContact CG1-CD2 4.36Å; V174-L207 HydrophobicContact CG1-CD2 4.25Å; W176-L207 HydrophobicContact CZ2-CD2 4.29Å; M188-L207 HydrophobicContact CE-CD2 3.52Å; M198-L207 HydrophobicContact CG-CD1 3.48Å; M198-L207 VanDerWaalsContact CG-CD1 3.48Å; M198-L207 HydrophobicContact CG-CD2 4.49Å; M198-L207 HydrophobicContact CG-CG 4.19Å; M198-L207 HydrophobicContact SD-CD1 3.9Å; M198-L207 HydrophobicContact SD-CD2 4.23Å; L200-L207 HydrophobicContact CD2-CB 4.47Å; L200-L207 HydrophobicContact CD2-CD1 3.64Å; L200-L207 HydrophobicContact CG-CD1 4.04Å; L207-T209 HydrophobicContact CD2-CG2 4.08Å; L207-T209 HydrophobicContact CG-CG2 4.1Å; L207-A218 CarbonylContact O-C 3.51Å; L207-A218 WeakPolarHBondContact O-CA 3.36Å; L207-W219 HydrophobicContact CB-CB 4.23Å; L207-W219 PolarHBondContact N-O 2.86Å; L207-W219 PolarHBondContact O-N 3.27Å; L207-I221 HydrophobicContact CB-CD1 4.03Å
208	L	89	Confident	83.1	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.3	171.8	-170.3	70.7	0	0	0	108.8	M198 V199 L201 L216 R217 A218 L284 I293	M198-L208 CarbonylContact C-O 3.59Å; M198-L208 WeakPolarHBondContact CA-O 3.25Å; V199-L208 PolarHBondContact N-O 3.27Å; V199-L208 PolarHBondContact O-N 2.99Å; L201-L208 HydrophobicContact CD1-CB 3.93Å; L201-L208 HydrophobicContact CD1-CD2 4.44Å; L208-L216 HydrophobicContact CD1-CB 4.07Å; L208-L216 HydrophobicContact CD2-CD1 4.48Å; L208-R217 WeakPolarHBondContact CA-O 3.43Å; L208-A218 HydrophobicContact CD1-CB 4.02Å; L208-L284 HydrophobicContact CB-CD2 4.24Å; L208-L284 HydrophobicContact CD2-CD1 4.22Å; L208-L284 HydrophobicContact CD2-CD2 4.03Å; L208-L284 HydrophobicContact CG-CD2 4.08Å; L208-I293 HydrophobicContact CD2-CD1 3.71Å; L208-I293 HydrophobicContact CD2-CG2 4.15Å
209	T	88.8	Confident	83	Confident	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135.9	178.6	58.1	0	0	0	0	110.7	V174 H191 G197 M198 L207 L216 R217 W219	V174-T209 HydrophobicContact CG2-CG2 4.17Å; H191-T209 PolarHBondContact CE1-OG1 3.38Å; H191-T209 PolarHBondContact NE2-OG1 3.18Å; G197-T209 CarbonylContact O-C 3.59Å; G197-T209 WeakPolarHBondContact O-CA 3.47Å; M198-T209 HydrophobicContact CG-CG2 4.38Å; L207-T209 HydrophobicContact CD2-CG2 4.08Å; L207-T209 HydrophobicContact CG-CG2 4.1Å; T209-L216 WeakPolarHBondContact O-CA 3.34Å; T209-R217 PolarHBondContact N-O 3.23Å; T209-R217 PolarHBondContact O-N 2.93Å; T209-R217 PolarHBondContact OG1-O 2.99Å; T209-W219 PolarHBondContact OG1-NE1 3.47Å
210	G	87.4	Confident	82.9	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	117.9	175.5	0	0	0	0	0	110.7	W196 G197	W196-G210 PolarHBondContact N-O 3.26Å; G197-G210 PolarHBondContact N-O 3.41Å; G197-G210 PolarHBondContact O-N 3.25Å
211	S	85.6	Confident	82.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	174.5	176	-130.1	0	0	0	0	111.1	H191 S193 E194 D213 R217 V281	H191-S211 PolarHBondContact ND1-OG 3.05Å; S193-S211 PolarHBondContact O-OG 2.67Å; S193-S211 PolarHBondContact OG-OG 3.46Å; E194-S211 CarbonylContact O-C 3.58Å; E194-S211 WeakPolarHBondContact O-CA 3.26Å; S211-D213 PolarHBondContact O-N 2.83Å; S211-R217 PolarHBondContact OG-NH1 3.43Å; S211-V281 WeakPolarHBondContact O-CG2 3.43Å; S211-V281 PolarHBondContact O-N 3.25Å
212	A	83.9	Confident	82.6	Confident	29 Å²	29	36.5 Å²	36.5	24%	0.24	17%	0.169	C	C	.	.	S	Bend	trans	-64.5	-21.8	161.6	0	0	0	0	0	112.7	E194 R280	E194-A212 PolarHBondContact O-N 3.03Å; A212-R280 HydrophobicContact CB-CB 4.2Å; A212-R280 WeakPolarHBondContact O-CA 3.4Å
213	D	82.1	Confident	82.5	Confident	51 Å²	51	38.9 Å²	38.9	27%	0.273	17%	0.173	S	C	.	.	S	Bend	trans	-66.8	160.6	171.5	-48.4	-16.7	0	0	0	111.6	S193 S211 E215 R217	S193-D213 WeakPolarHBondContact CB-OD1 3.43Å; S193-D213 PolarHBondContact OG-OD1 3.35Å; S193-D213 PolarHBondContact OG-OD2 3.42Å; S211-D213 PolarHBondContact O-N 2.83Å; D213-E215 PolarHBondContact O-N 3.46Å; D213-R217 IonicContact OD2-CZ 3.63Å; D213-R217 IonicContact OD2-NH1 3.23Å; D213-R217 PolarHBondContact OD2-NH1 3.12Å; D213-R217 IonicContact OD2-NH2 3.98Å; D213-R217 PolarHBondContact OD2-NH2 2.92Å
214	S	82.1	Confident	82.2	Confident	34 Å²	34	34 Å²	34	24%	0.238	16%	0.162	C	C	.	.	S	Bend	trans	-66.9	-1.8	172.3	65.7	0	0	0	0	114.9	R275	S214-R275 WeakPolarHBondContact O-CB 2.99Å; S214-R275 WeakPolarHBondContact O-CG 3.3Å; S214-R275 PolarHBondContact O-N 2.89Å
215	E	83.8	Confident	80.9	Confident	52 Å²	52	41.8 Å²	41.8	24%	0.243	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	129.8	-177.8	-64	-172.2	158.8	0	0	112.3	D213 R217 L274	D213-E215 PolarHBondContact O-N 3.46Å; E215-R217 IonicContact OE2-CZ 2.68Å; E215-R217 IonicContact OE2-NE 3.92Å; E215-R217 PolarHBondContact OE2-NE 3.34Å; E215-R217 IonicContact OE2-NH2 3.84Å; E215-R217 PolarHBondContact OE2-NH2 3.36Å; E215-L274 HydrophobicContact CG-CD2 3.84Å; E215-L274 HydrophobicContact CG-CG 4.49Å
216	L	86.5	Confident	79	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	125.8	161.1	-61	174.5	0	0	0	108.4	L208 T209 S272 I273 R275 V281 L284 F305	L208-L216 HydrophobicContact CD1-CB 4.07Å; L208-L216 HydrophobicContact CD2-CD1 4.48Å; T209-L216 WeakPolarHBondContact O-CA 3.34Å; L216-S272 CarbonylContact O-C 3.55Å; L216-S272 VanDerWaalsContact O-CA 3.29Å; L216-S272 WeakPolarHBondContact O-CA 3.4Å; L216-I273 HydrophobicContact CB-CB 4.34Å; L216-I273 PolarHBondContact N-O 3.26Å; L216-I273 PolarHBondContact O-N 3.46Å; L216-R275 HydrophobicContact CD1-CG 4.03Å; L216-R275 HydrophobicContact CG-CG 3.91Å; L216-V281 HydrophobicContact CD2-CG2 3.88Å; L216-L284 HydrophobicContact CD2-CD1 4.39Å; L216-F305 HydrophobicContact CD1-CE2 4.1Å; L216-F305 HydrophobicContact CD1-CZ 4.36Å
217	R	88.1	Confident	76.6	Confident	15 Å²	15	49.1 Å²	49.1	6%	0.057	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.5	-178.3	-64.9	-177.9	180	105.5	6.6	109.4	H191 L208 T209 S211 D213 E215 W219	H191-R217 PolarHBondContact ND1-NH1 3.42Å; H191-R217 VanDerWaalsContact ND1-NH1 3.16Å; L208-R217 WeakPolarHBondContact CA-O 3.43Å; T209-R217 PolarHBondContact N-O 3.23Å; T209-R217 PolarHBondContact O-N 2.93Å; T209-R217 PolarHBondContact OG1-O 2.99Å; S211-R217 PolarHBondContact OG-NH1 3.43Å; D213-R217 IonicContact OD2-CZ 3.63Å; D213-R217 IonicContact OD2-NH1 3.23Å; D213-R217 PolarHBondContact OD2-NH1 3.12Å; D213-R217 IonicContact OD2-NH2 3.98Å; D213-R217 PolarHBondContact OD2-NH2 2.92Å; E215-R217 IonicContact OE2-CZ 2.68Å; E215-R217 IonicContact OE2-NE 3.92Å; E215-R217 PolarHBondContact OE2-NE 3.34Å; E215-R217 IonicContact OE2-NH2 3.84Å; E215-R217 PolarHBondContact OE2-NH2 3.36Å; R217-W219 HydrophobicContact CB-CZ2 4.27Å
218	A	88.1	Confident	74	Confident	2 Å²	2	57 Å²	57	2%	0.017	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	135.7	176.4	0	0	0	0	0	109.5	L207 L208 A270 G271 L348	L207-A218 CarbonylContact O-C 3.51Å; L207-A218 WeakPolarHBondContact O-CA 3.36Å; L208-A218 HydrophobicContact CD1-CB 4.02Å; A218-A270 WeakPolarHBondContact O-CB 3.31Å; A218-A270 PolarHBondContact O-N 3.43Å; A218-G271 PolarHBondContact N-O 3.01Å; A218-G271 PolarHBondContact O-N 2.95Å; A218-L348 HydrophobicContact CB-CD1 3.84Å; A218-L348 HydrophobicContact CB-CD2 3.75Å; A218-L348 HydrophobicContact CB-CG 4.48Å
219	W	87.6	Confident	71.3	Confident	15 Å²	15	61.7 Å²	61.7	6%	0.057	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.1	-178.2	-50.8	86.1	0	0	0	108.8	M188 H191 R206 L207 T209 R217 Q268 K269	M188-W219 HydrophobicContact CE-CD2 4.5Å; M188-W219 HydrophobicContact CE-CG 4.46Å; H191-W219 AromaticContact NE2-CZ2 3.78Å; H191-W219 AromaticContact NE2-NE1 3.81Å; R206-W219 CarbonylContact C-O 3.51Å; R206-W219 VanDerWaalsContact CA-O 3.31Å; R206-W219 WeakPolarHBondContact CA-O 3.18Å; L207-W219 HydrophobicContact CB-CB 4.23Å; L207-W219 PolarHBondContact N-O 2.86Å; L207-W219 PolarHBondContact O-N 3.27Å; T209-W219 PolarHBondContact OG1-NE1 3.47Å; R217-W219 HydrophobicContact CB-CZ2 4.27Å; W219-Q268 CarbonylContact C-O 3.56Å; W219-Q268 WeakPolarHBondContact CA-O 3.4Å; W219-K269 HydrophobicContact CE3-CB 3.79Å; W219-K269 HydrophobicContact CE3-CG 4.26Å; W219-K269 HydrophobicContact CH2-CB 4.16Å; W219-K269 HydrophobicContact CH2-CD 4.17Å; W219-K269 HydrophobicContact CH2-CG 4.16Å; W219-K269 HydrophobicContact CZ3-CB 3.53Å; W219-K269 HydrophobicContact CZ3-CD 4.37Å; W219-K269 HydrophobicContact CZ3-CG 3.99Å
220	D	84.8	Confident	68.5	Low	35 Å²	35	71.6 Å²	71.6	19%	0.187	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	124.3	174.1	-79.7	-16.1	0	0	0	108.9	R206 C267 Q268 A270	R206-D220 WeakPolarHBondContact CG-OD1 3.47Å; R206-D220 IonicContact CZ-OD1 3.24Å; R206-D220 IonicContact NE-OD1 2.93Å; R206-D220 PolarHBondContact NE-OD1 3.25Å; R206-D220 IonicContact NH2-OD1 3.05Å; D220-C267 WeakPolarHBondContact O-CA 3.42Å; D220-Q268 PolarHBondContact N-O 3.31Å; D220-Q268 PolarHBondContact O-N 3.49Å; D220-A270 HydrophobicContact CB-CB 4.37Å
221	I	83.3	Confident	66.2	Low	7 Å²	7	74.8 Å²	74.8	4%	0.036	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	105.4	175.5	-64.1	160.2	0	0	0	107.2	W176 L200 D204 N205 L207 L265	W176-I221 HydrophobicContact CH2-CD1 3.68Å; W176-I221 HydrophobicContact CH2-CG1 3.88Å; W176-I221 HydrophobicContact CH2-CG2 4.43Å; W176-I221 HydrophobicContact CZ2-CD1 4.22Å; W176-I221 HydrophobicContact CZ2-CG1 4.21Å; L200-I221 HydrophobicContact CD2-CD1 3.91Å; D204-I221 WeakPolarHBondContact O-CD1 3.43Å; N205-I221 WeakPolarHBondContact O-CB 3.48Å; N205-I221 PolarHBondContact O-N 2.7Å; L207-I221 HydrophobicContact CB-CD1 4.03Å; I221-L265 HydrophobicContact CG2-CD1 3.62Å; I221-L265 HydrophobicContact CG2-CD2 3.77Å; I221-L265 HydrophobicContact CG2-CG 3.82Å
222	R	76.3	Confident	63.5	Low	143 Å²	143	83.7 Å²	83.7	54%	0.54	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.4	174.7	-73.5	-176.6	-172.9	172	5.6	109.6	S266	R222-S266 VanDerWaalsContact CB-OG 3.28Å; R222-S266 WeakPolarHBondContact CB-OG 3.48Å; R222-S266 PolarHBondContact N-O 3.08Å; R222-S266 PolarHBondContact O-N 3.38Å; R222-S266 VanDerWaalsContact O-O 3.09Å; R222-S266 PolarHBondContact O-OG 2.99Å
223	R	66.7	Low	60.9	Low	110 Å²	110	88 Å²	88	42%	0.415	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.6	174.3	-56.8	173.9	-165.7	165.3	0.2	107.8	D161 R203 L265	D161-R223 IonicContact OD2-CZ 3.52Å; D161-R223 VanDerWaalsContact OD2-CZ 3.24Å; D161-R223 IonicContact OD2-NH1 2.97Å; D161-R223 PolarHBondContact OD2-NH1 3.41Å; D161-R223 IonicContact OD2-NH2 3.95Å; D161-R223 PolarHBondContact OD2-NH2 3.21Å; R203-R223 PolarHBondContact O-NH2 3.21Å; R223-L265 HydrophobicContact CG-CD1 4.49Å
224	L	60.2	Low	58.4	Low	107 Å²	107	97.5 Å²	97.5	56%	0.56	50%	0.504	S	S	*	.			trans	-83.3	114	168.2	-78.8	150.9	0	0	0	106.2	E226	L224-E226 PolarHBondContact O-N 2.92Å
225	E	44.9	Very low	55.9	Low	173 Å²	173	102 Å²	102	81%	0.808	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-63.6	132.8	170.7	-73.1	-175.7	167.7	0	0	108.5	G227	E225-G227 PolarHBondContact O-N 3.12Å
226	E	37.3	Very low	53.5	Low	182 Å²	182	109.2 Å²	109.2	85%	0.85	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-49	132.9	172.2	-75.1	172.8	171.1	0	0	110.1	L224 K228	L224-E226 PolarHBondContact O-N 2.92Å; E226-K228 PolarHBondContact O-N 3.3Å
227	G	35.4	Very low	50.8	Low	75 Å²	75	118.9 Å²	118.9	77%	0.773	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-50.1	123.6	-177.7	0	0	0	0	0	111.4	E225 A229	E225-G227 PolarHBondContact O-N 3.12Å; G227-A229 PolarHBondContact O-N 3.3Å
228	K	32.4	Very low	47.9	Very low	166 Å²	166	121.7 Å²	121.7	72%	0.722	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-49.5	136.4	163.9	-71.4	168	-178.4	148.5	0	109.3	E226 E230	E226-K228 PolarHBondContact O-N 3.3Å; K228-E230 PolarHBondContact O-N 3.4Å
229	A	32	Very low	45.1	Very low	99 Å²	99	130.8 Å²	130.8	82%	0.818	68%	0.675	S	S	*	*			trans	-37.4	131.2	176.7	0	0	0	0	0	113.4	G227 G231	G227-A229 PolarHBondContact O-N 3.3Å; A229-G231 PolarHBondContact O-N 3.17Å
230	E	30.8	Very low	42.2	Very low	207 Å²	207	137 Å²	137	97%	0.967	72%	0.716	S	S	*	*	S	Bend	trans	-60.4	123	174.5	-70.8	-173	146	0	0	110.8	K228	K228-E230 PolarHBondContact O-N 3.4Å
231	G	37.4	Very low	39.5	Very low	68 Å²	68	142.3 Å²	142.3	70%	0.701	74%	0.743	S	S	*	*			trans	161.4	41.1	177.3	0	0	0	0	0	113.5	A229	A229-G231 PolarHBondContact O-N 3.17Å
232	E	29.4	Very low	37	Very low	187 Å²	187	149.2 Å²	149.2	87%	0.874	78%	0.779	S	S	*	*	S	Bend	trans	-163.7	138.6	158.6	-109.9	168.4	-152.7	0	0	110.6
233	P	30	Very low	34.8	Very low	120 Å²	120	150.3 Å²	150.3	78%	0.779	79%	0.79	S	S	*	*			trans	-80.5	142.9	-164.5	31.3	-33.5	0	0	0	113.2	V235	P233-V235 PolarHBondContact O-N 3.5Å
234	R	28.4	Very low	32.8	Very low	249 Å²	249	151.8 Å²	151.8	94%	0.94	81%	0.806	S	S	*	*			trans	-67.5	119.1	175.7	-69.8	179.4	175	176.9	-1.1	110.9	K236	R234-K236 PolarHBondContact O-N 3.33Å
235	V	29.8	Very low	31.3	Very low	129 Å²	129	154.7 Å²	154.7	78%	0.782	82%	0.822	S	S	*	*			trans	-75.9	115.4	168.8	176.6	0	0	0	0	109.3	P233	P233-V235 PolarHBondContact O-N 3.5Å
236	K	34.5	Very low	30.5	Very low	204 Å²	204	154.8 Å²	154.8	89%	0.887	82%	0.823	S	S	*	*			trans	-69	125.2	166.8	-76.4	179.7	175	177.7	0	110.5	R234	R234-K236 PolarHBondContact O-N 3.33Å
237	K	30.1	Very low	30	Very low	204 Å²	204	153.5 Å²	153.5	89%	0.887	82%	0.822	S	S	*	*			trans	-155.1	137.4	148.3	-68.6	-167.3	179.5	178.1	0	106.7
238	G	26.8	Very low	29.7	Very low	74 Å²	74	157.7 Å²	157.7	76%	0.763	83%	0.827	S	S	*	*			cis	179.3	138.9	1.5	0	0	0	0	0	105.9
239	K	29.1	Very low	29.5	Very low	192 Å²	192	158 Å²	158	84%	0.835	84%	0.836	S	S	*	*			trans	-59.1	143.8	-179	-71.3	176.6	170.3	-174.9	0	112.3
240	T	27.3	Very low	29.4	Very low	147 Å²	147	156.4 Å²	156.4	90%	0.902	83%	0.83	S	S	*	*			trans	-134.1	127.1	144.6	41.5	0	0	0	0	108.4
241	L	28.4	Very low	29.2	Very low	145 Å²	145	156.4 Å²	156.4	76%	0.759	83%	0.826	S	S	*	*			trans	-91	172.5	-176.7	-80.2	151.4	0	0	0	111.4
242	L	29.4	Very low	28.8	Very low	153 Å²	153	162.4 Å²	162.4	80%	0.801	84%	0.836	S	S	*	*			trans	100.4	125.2	168.9	-54.6	170.8	0	0	0	112.4
243	E	29.8	Very low	28.6	Very low	166 Å²	166	162.5 Å²	162.5	78%	0.776	84%	0.836	S	S	*	*			cis	-158.7	169.6	18.6	-114.3	160.8	-162.2	0	0	109.9
244	D	26	Very low	28.5	Very low	140 Å²	140	166 Å²	166	75%	0.749	84%	0.843	S	S	*	*			trans	-67.7	153.9	-160.1	-52.7	-59.1	0	0	0	117.7
245	D	28.2	Very low	28.4	Very low	168 Å²	168	163.2 Å²	163.2	90%	0.898	84%	0.84	S	S	*	*				-167.1	137.8	120.7	-94	-24	0	0	0	110.5
246	E	28.5	Very low	28.3	Very low	175 Å²	175	166.8 Å²	166.8	82%	0.818	85%	0.848	S	S	*	*			trans	-76.5	166.5	-170.4	-64.1	174.8	141.2	0	0	114
247	D	26.7	Very low	28	Very low	155 Å²	155	161.4 Å²	161.4	83%	0.829	84%	0.842	S	S	*	*			trans	86	98.2	162.2	-56.4	-25.5	0	0	0	119
248	D	28.5	Very low	27.9	Very low	164 Å²	164	160.8 Å²	160.8	88%	0.877	84%	0.842	S	S	*	*				-178.1	93.7	109.2	-162.2	24.8	0	0	0	110.1
249	D	28.1	Very low	28.1	Very low	172 Å²	172	161.8 Å²	161.8	92%	0.92	83%	0.833	S	S	*	*			trans	-75	117.2	172	-94.2	-30.8	0	0	0	110.2
250	G	30.6	Very low	28.5	Very low	66 Å²	66	158.3 Å²	158.3	68%	0.68	83%	0.828	S	S	*	*			trans	149.1	71	158.1	0	0	0	0	0	115.9
251	K	27.2	Very low	29.2	Very low	207 Å²	207	157.8 Å²	157.8	90%	0.9	82%	0.815	S	S	*	*			trans	176.8	71.8	150.5	-97.3	157.5	-173.4	-176.6	0	110.4
252	E	27.3	Very low	29.8	Very low	193 Å²	193	158.9 Å²	158.9	90%	0.902	82%	0.816	S	S	*	*			trans	-132.3	69.9	168.6	-74.7	-166.9	168.7	0	0	110
253	E	26.9	Very low	30.8	Very low	189 Å²	189	160.4 Å²	160.4	88%	0.883	81%	0.812	S	S	*	*	S	Bend	trans	-153.1	56.3	158.2	-72.4	-162.8	164.7	0	0	109.4
254	E	27	Very low	32.2	Very low	195 Å²	195	155.7 Å²	155.7	91%	0.911	79%	0.791	S	S	*	*	S	Bend	trans	-160.4	17.1	168.4	-115.6	169.8	-147.8	0	0	115.8
255	E	26.9	Very low	34.3	Very low	190 Å²	190	149.4 Å²	149.4	89%	0.888	76%	0.757	S	S	*	*			trans	-118.4	29.9	-178.8	-70.9	-167.1	172.3	0	0	114.8
256	E	27	Very low	36.4	Very low	204 Å²	204	142.7 Å²	142.7	95%	0.953	72%	0.724	S	S	*	*	S	Bend	trans	-106.6	26.1	173.6	-72.8	-160.3	153.6	0	0	114.3
257	A	28	Very low	38.6	Very low	90 Å²	90	135.3 Å²	135.3	74%	0.744	69%	0.691	S	S	*	*			trans	-136.4	24.6	178.2	0	0	0	0	0	115.1
258	E	29	Very low	41.1	Very low	191 Å²	191	133 Å²	133	89%	0.893	68%	0.676	S	S	*	*			trans	-89.1	127.8	165.8	-72.9	-162.1	159	0	0	111.4
259	T	30.6	Very low	43.6	Very low	95 Å²	95	130.6 Å²	130.6	58%	0.583	66%	0.657	S	S	*	*			trans	-84.8	162.3	-147.9	42.8	0	0	0	0	113.9	E261	T259-E261 PolarHBondContact O-N 2.9Å
260	V	37.6	Very low	46	Very low	119 Å²	119	124.2 Å²	124.2	72%	0.721	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-59.1	6.3	-176.9	174.8	0	0	0	0	114.9
261	E	42	Very low	48.5	Very low	136 Å²	136	122 Å²	122	64%	0.636	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-87.4	-11.8	-167.8	-67.4	179.3	158.9	0	0	115	T259 R263	T259-E261 PolarHBondContact O-N 2.9Å; E261-R263 PolarHBondContact O-N 3.03Å
262	E	41.5	Very low	51.1	Low	168 Å²	168	114.4 Å²	114.4	79%	0.785	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-70.4	2.7	-179.5	-67.3	-158.4	131.4	0	0	115.8
263	R	50.1	Low	53.9	Low	185 Å²	185	105.9 Å²	105.9	70%	0.698	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-99.2	5.4	-153.4	-80.2	-175.2	174.9	165	3.3	119.3	E261	E261-R263 PolarHBondContact O-N 3.03Å
264	I	58.7	Low	56.6	Low	67 Å²	67	101.5 Å²	101.5	34%	0.344	52%	0.521	S	S	.	.	S	Bend	trans	-90	-38.8	-177.3	-52.8	176.8	0	0	0	112.8
265	L	69.3	Low	59.2	Low	8 Å²	8	92.9 Å²	92.9	4%	0.042	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	123	-170.2	-163.6	134.4	0	0	0	113.2	L164 W176 F185 K186 I221 R223 C267	L164-L265 HydrophobicContact CD1-CD1 4.35Å; W176-L265 HydrophobicContact CD2-CD2 4.43Å; W176-L265 HydrophobicContact CE3-CD2 4.03Å; W176-L265 HydrophobicContact CH2-CD1 4.46Å; W176-L265 HydrophobicContact CH2-CD2 3.74Å; W176-L265 HydrophobicContact CZ2-CD2 4.15Å; W176-L265 HydrophobicContact CZ3-CD1 3.88Å; W176-L265 HydrophobicContact CZ3-CD2 3.64Å; W176-L265 HydrophobicContact CZ3-CG 4.4Å; F185-L265 HydrophobicContact CE2-CB 4.37Å; F185-L265 HydrophobicContact CZ-CB 4.5Å; K186-L265 PolarHBondContact NZ-O 3.25Å; I221-L265 HydrophobicContact CG2-CD1 3.62Å; I221-L265 HydrophobicContact CG2-CD2 3.77Å; I221-L265 HydrophobicContact CG2-CG 3.82Å; R223-L265 HydrophobicContact CG-CD1 4.49Å; L265-C267 HydrophobicContact CD2-CB 4.4Å
266	S	72.1	Confident	61.7	Low	28 Å²	28	89.7 Å²	89.7	20%	0.196	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	129.1	171.2	67.5	0	0	0	0	109.7	R222	R222-S266 VanDerWaalsContact CB-OG 3.28Å; R222-S266 WeakPolarHBondContact CB-OG 3.48Å; R222-S266 PolarHBondContact N-O 3.08Å; R222-S266 PolarHBondContact O-N 3.38Å; R222-S266 VanDerWaalsContact O-O 3.09Å; R222-S266 PolarHBondContact O-OG 2.99Å
267	C	76.2	Confident	64	Low	20 Å²	20	81 Å²	81	14%	0.135	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	117.6	176.4	-165.4	0	0	0	0	107.5	M188 D220 L265	M188-C267 HydrophobicContact SD-CB 3.79Å; M188-C267 PolarHBondContact SD-SG 3.17Å; D220-C267 WeakPolarHBondContact O-CA 3.42Å; L265-C267 HydrophobicContact CD2-CB 4.4Å
268	Q	79.5	Confident	66.4	Low	107 Å²	107	87.3 Å²	87.3	50%	0.5	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	143.6	-178	-70.5	-177.3	-15.6	0	0	110	W219 D220 A270	W219-Q268 CarbonylContact C-O 3.56Å; W219-Q268 WeakPolarHBondContact CA-O 3.4Å; D220-Q268 PolarHBondContact N-O 3.31Å; D220-Q268 PolarHBondContact O-N 3.49Å; Q268-A270 PolarHBondContact O-N 3.36Å; Q268-A270 VanDerWaalsContact O-N 3.15Å
269	K	80.6	Confident	68.9	Low	113 Å²	113	82.1 Å²	82.1	49%	0.491	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	112.1	176.5	-170.1	176.8	175.6	-179.1	0	109.5	W219	W219-K269 HydrophobicContact CE3-CB 3.79Å; W219-K269 HydrophobicContact CE3-CG 4.26Å; W219-K269 HydrophobicContact CH2-CB 4.16Å; W219-K269 HydrophobicContact CH2-CD 4.17Å; W219-K269 HydrophobicContact CH2-CG 4.16Å; W219-K269 HydrophobicContact CZ3-CB 3.53Å; W219-K269 HydrophobicContact CZ3-CD 4.37Å; W219-K269 HydrophobicContact CZ3-CG 3.99Å
270	A	77.8	Confident	71.5	Confident	38 Å²	38	83.3 Å²	83.3	31%	0.314	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-28.1	175.9	0	0	0	0	0	111.6	A218 D220 Q268 L348	A218-A270 WeakPolarHBondContact O-CB 3.31Å; A218-A270 PolarHBondContact O-N 3.43Å; D220-A270 HydrophobicContact CB-CB 4.37Å; Q268-A270 PolarHBondContact O-N 3.36Å; Q268-A270 VanDerWaalsContact O-N 3.15Å; A270-L348 HydrophobicContact CB-CD1 4.01Å; A270-L348 HydrophobicContact CB-CD2 4.15Å; A270-L348 HydrophobicContact CB-CG 4.3Å; A270-L348 WeakPolarHBondContact O-CD1 3.44Å
271	G	82.3	Confident	73.8	Confident	20 Å²	20	77.6 Å²	77.6	21%	0.206	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	143.4	-164.5	174.9	0	0	0	0	0	114.1	A218	A218-G271 PolarHBondContact N-O 3.01Å; A218-G271 PolarHBondContact O-N 2.95Å
272	S	83.8	Confident	75.8	Confident	46 Å²	46	71.9 Å²	71.9	32%	0.322	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.6	-174.4	58.9	0	0	0	0	114	L216	L216-S272 CarbonylContact O-C 3.55Å; L216-S272 VanDerWaalsContact O-CA 3.29Å; L216-S272 WeakPolarHBondContact O-CA 3.4Å
273	I	84.8	Confident	77.8	Confident	14 Å²	14	64 Å²	64	7%	0.072	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	122	176.2	-59.4	169.5	0	0	0	107.8	L216 F305 I352	L216-I273 HydrophobicContact CB-CB 4.34Å; L216-I273 PolarHBondContact N-O 3.26Å; L216-I273 PolarHBondContact O-N 3.46Å; I273-F305 HydrophobicContact CG2-CE1 4.34Å; I273-I352 HydrophobicContact CD1-CB 3.7Å; I273-I352 HydrophobicContact CD1-CD1 3.8Å; I273-I352 HydrophobicContact CD1-CG1 4.26Å; I273-I352 HydrophobicContact CD1-CG2 3.77Å
274	L	83.7	Confident	79.4	Confident	98 Å²	98	55.3 Å²	55.3	51%	0.513	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	128.4	177	-77.8	157	0	0	0	110.6	E215	E215-L274 HydrophobicContact CG-CD2 3.84Å; E215-L274 HydrophobicContact CG-CG 4.49Å
275	R	81.8	Confident	80.6	Confident	14 Å²	14	53 Å²	53	5%	0.053	26%	0.264	C	S	.	.			trans	-78	159.9	171.9	-64.9	175.3	61.4	-147.2	-2.9	110.8	S214 L216 A277 D279 C295	S214-R275 WeakPolarHBondContact O-CB 2.99Å; S214-R275 WeakPolarHBondContact O-CG 3.3Å; S214-R275 PolarHBondContact O-N 2.89Å; L216-R275 HydrophobicContact CD1-CG 4.03Å; L216-R275 HydrophobicContact CG-CG 3.91Å; R275-A277 WeakPolarHBondContact CB-O 3.32Å; R275-D279 PolarHBondContact NH1-O 3.3Å; R275-C295 PolarHBondContact NE-SG 2.99Å
276	E	78.7	Confident	81.4	Confident	122 Å²	122	54.1 Å²	54.1	57%	0.57	28%	0.275	S	S	*	.	S	Bend	trans	-80.5	-40.8	174.1	-167.6	172.8	161.3	0	0	110.4	E303 R354 N357	E276-E303 PolarHBondContact N-OE1 3.47Å; E276-R354 IonicContact OE2-CZ 3.96Å; E276-R354 IonicContact OE2-NH1 2.98Å; E276-R354 PolarHBondContact OE2-NH1 2.89Å; E276-N357 PolarHBondContact OE2-ND2 3.48Å
277	A	76.8	Confident	81.8	Confident	21 Å²	21	53.1 Å²	53.1	17%	0.174	27%	0.268	C	S	.	.			trans	-69.2	129.3	168.4	0	0	0	0	0	110.6	R275 D279 E303	R275-A277 WeakPolarHBondContact CB-O 3.32Å; A277-D279 VanDerWaalsContact C-N 3.31Å; A277-E303 PolarHBondContact N-OE1 2.74Å; A277-E303 VanDerWaalsContact N-OE1 3.08Å
278	R	77.5	Confident	81.6	Confident	224 Å²	224	56 Å²	56	85%	0.845	29%	0.288	S	S	*	.			trans	-85.1	-5.3	175.1	-66.7	-175.5	178.8	177.6	-0.7	113.6
279	D	81.3	Confident	81.2	Confident	82 Å²	82	58.1 Å²	58.1	44%	0.439	30%	0.296	S	S	.	.	S	Bend	trans	-78.4	155.2	179.2	-72.1	-8.3	0	0	0	112	R275 A277	R275-D279 PolarHBondContact NH1-O 3.3Å; A277-D279 VanDerWaalsContact C-N 3.31Å
280	R	85.9	Confident	80.9	Confident	119 Å²	119	53.5 Å²	53.5	45%	0.449	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-48.9	142.5	174.8	68.4	177.7	178.9	-161.3	-1.6	112.5	A212 G297	A212-R280 HydrophobicContact CB-CB 4.2Å; A212-R280 WeakPolarHBondContact O-CA 3.4Å; R280-G297 WeakPolarHBondContact O-CA 3.49Å
281	V	85.4	Confident	80.9	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-66.1	132.2	169.3	-178.5	0	0	0	0	108.2	W196 S211 L216	W196-V281 WeakPolarHBondContact CB-O 3.38Å; S211-V281 WeakPolarHBondContact O-CG2 3.43Å; S211-V281 PolarHBondContact O-N 3.25Å; L216-V281 HydrophobicContact CD2-CG2 3.88Å
282	V	83.7	Confident	81	Confident	16 Å²	16	58 Å²	58	10%	0.097	28%	0.282	C	S	.	.			trans	-103.3	-43.4	176.4	174.7	0	0	0	0	110.9	H296	V282-H296 PolarHBondContact N-O 2.95Å
283	S	83	Confident	81.2	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.014	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	151.7	171.6	82.2	0	0	0	0	111	H296	S283-H296 PolarHBondContact O-N 3.43Å; S283-H296 PolarHBondContact OG-CD2 3.41Å; S283-H296 PolarHBondContact OG-NE2 2.87Å
284	L	85.7	Confident	81.4	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.016	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	113.5	173.6	-170.2	75.2	0	0	0	106.6	V199 L208 L216 I293 C295	V199-L284 HydrophobicContact CB-CD2 3.78Å; V199-L284 HydrophobicContact CB-CG 4.22Å; V199-L284 HydrophobicContact CG2-CB 4.12Å; V199-L284 HydrophobicContact CG2-CD2 3.67Å; V199-L284 HydrophobicContact CG2-CG 3.6Å; V199-L284 VanDerWaalsContact CG2-O 3.32Å; V199-L284 WeakPolarHBondContact CG2-O 3.3Å; L208-L284 HydrophobicContact CB-CD2 4.24Å; L208-L284 HydrophobicContact CD2-CD1 4.22Å; L208-L284 HydrophobicContact CD2-CD2 4.03Å; L208-L284 HydrophobicContact CG-CD2 4.08Å; L216-L284 HydrophobicContact CD2-CD1 4.39Å; L284-I293 HydrophobicContact CD1-CG2 3.64Å; L284-I293 HydrophobicContact CG-CG2 4.11Å; L284-C295 HydrophobicContact CD1-CB 3.81Å
285	T	83.9	Confident	81.6	Confident	17 Å²	17	50.5 Å²	50.5	10%	0.104	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	146.9	-179.4	54.7	0	0	0	0	110.4	I293 A294 W366 A367	T285-I293 CarbonylContact O-C 3.51Å; T285-I293 WeakPolarHBondContact O-CA 3.32Å; T285-A294 PolarHBondContact N-O 3.1Å; T285-A294 PolarHBondContact O-N 3.03Å; T285-W366 HydrophobicContact CG2-CZ2 4.46Å; T285-A367 VanDerWaalsContact CG2-O 3.24Å; T285-A367 WeakPolarHBondContact CG2-O 3.44Å; T285-A367 PolarHBondContact OG1-O 3.2Å; T285-A367 VanDerWaalsContact OG1-O 3.08Å
286	A	84.1	Confident	82	Confident	32 Å²	32	49.8 Å²	49.8	26%	0.264	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	151.5	175.1	0	0	0	0	0	110.9	V199 V292	V199-A286 HydrophobicContact CG1-CB 3.41Å; V199-A286 VanDerWaalsContact CG1-CB 3.41Å; V199-A286 HydrophobicContact CG2-CB 4.28Å; A286-V292 WeakPolarHBondContact CA-O 3.21Å
287	D	81.1	Confident	82.3	Confident	8 Å²	8	44 Å²	44	4%	0.043	21%	0.209	C	C	.	.			trans	-65.3	160.5	171.7	173.5	44.1	0	0	0	111.5	K289 A290 V292 S371	D287-K289 PolarHBondContact O-N 3.24Å; D287-A290 WeakPolarHBondContact O-CA 3.35Å; D287-A290 PolarHBondContact O-N 3.42Å; D287-V292 HydrophobicContact CB-CB 4.45Å; D287-V292 PolarHBondContact N-O 3.49Å; D287-S371 WeakPolarHBondContact OD1-CB 3.45Å; D287-S371 PolarHBondContact OD1-N 3.35Å; D287-S371 WeakPolarHBondContact OD2-CB 3.36Å
288	S	71.4	Confident	82.7	Confident	81 Å²	81	45.6 Å²	45.6	57%	0.566	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46.9	-34	175.3	58.9	0	0	0	0	114.9
289	K	71	Confident	83.2	Confident	151 Å²	151	38.5 Å²	38.5	66%	0.657	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	0.2	177.3	-66	-179.8	-178.8	173.8	0	113.8	D287 R291	D287-K289 PolarHBondContact O-N 3.24Å; K289-R291 HydrophobicContact CB-CG 4.28Å; K289-R291 PolarHBondContact O-N 2.94Å; K289-R291 VanDerWaalsContact O-N 3.14Å
290	A	74.3	Confident	83.6	Confident	15 Å²	15	35.3 Å²	35.3	12%	0.124	18%	0.178	C	C	.	.	S	Bend	trans	52.4	30.2	-176.3	0	0	0	0	0	114.3	L200 L201 D287	L200-A290 WeakPolarHBondContact O-CB 3.44Å; L201-A290 HydrophobicContact CD2-CB 4.33Å; L201-A290 WeakPolarHBondContact CD2-O 3.31Å; D287-A290 WeakPolarHBondContact O-CA 3.35Å; D287-A290 PolarHBondContact O-N 3.42Å
291	R	79.2	Confident	83.8	Confident	146 Å²	146	31.4 Å²	31.4	55%	0.551	17%	0.168	S	C	*	.			trans	-95.2	-29.6	179.2	-73.3	-169.3	175.1	-163.2	-3.5	113.6	K289 T306 V307	K289-R291 HydrophobicContact CB-CG 4.28Å; K289-R291 PolarHBondContact O-N 2.94Å; K289-R291 VanDerWaalsContact O-N 3.14Å; R291-T306 CarbonylContact O-C 3.55Å; R291-T306 WeakPolarHBondContact O-CA 3.47Å; R291-V307 PolarHBondContact O-N 3.34Å
292	V	84.7	Confident	84	Confident	7 Å²	7	31.4 Å²	31.4	4%	0.042	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.1	179.2	-176.3	0	0	0	0	107.7	A286 D287 V304 F305 T306 L377 T395	A286-V292 WeakPolarHBondContact CA-O 3.21Å; D287-V292 HydrophobicContact CB-CB 4.45Å; D287-V292 PolarHBondContact N-O 3.49Å; V292-V304 HydrophobicContact CG1-CG1 3.47Å; V292-V304 VanDerWaalsContact CG1-CG1 3.47Å; V292-F305 CarbonylContact C-O 3.54Å; V292-F305 WeakPolarHBondContact CA-O 3.4Å; V292-T306 HydrophobicContact CG2-CG2 4.03Å; V292-L377 HydrophobicContact CB-CD1 4.05Å; V292-L377 HydrophobicContact CG1-CD1 4.03Å; V292-L377 HydrophobicContact CG1-CD2 3.74Å; V292-L377 HydrophobicContact CG2-CD1 4.09Å; V292-T395 HydrophobicContact CG2-CG2 4.31Å
293	I	87.6	Confident	84.2	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131.3	-179.2	-48.4	172.9	0	0	0	106.8	L201 L208 L284 T285 V304 F305 V307	L201-I293 HydrophobicContact CD1-CD1 3.47Å; L201-I293 VanDerWaalsContact CD1-CD1 3.47Å; L201-I293 HydrophobicContact CD2-CD1 3.51Å; L201-I293 HydrophobicContact CD2-CG1 3.71Å; L201-I293 HydrophobicContact CG-CD1 4.1Å; L208-I293 HydrophobicContact CD2-CD1 3.71Å; L208-I293 HydrophobicContact CD2-CG2 4.15Å; L284-I293 HydrophobicContact CD1-CG2 3.64Å; L284-I293 HydrophobicContact CG-CG2 4.11Å; T285-I293 CarbonylContact O-C 3.51Å; T285-I293 WeakPolarHBondContact O-CA 3.32Å; I293-V304 CarbonylContact O-C 3.59Å; I293-V304 WeakPolarHBondContact O-CA 3.41Å; I293-F305 HydrophobicContact CB-CB 4.32Å; I293-F305 PolarHBondContact N-O 3.09Å; I293-F305 PolarHBondContact O-N 3.44Å; I293-V307 HydrophobicContact CD1-CG2 3.73Å; I293-V307 HydrophobicContact CG1-CG2 4.17Å
294	A	88.3	Confident	84.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135.7	167.9	0	0	0	0	0	109.9	T285 L302 E303 V369	T285-A294 PolarHBondContact N-O 3.1Å; T285-A294 PolarHBondContact O-N 3.03Å; A294-L302 HydrophobicContact CB-CD1 3.99Å; A294-L302 HydrophobicContact CB-CD2 4.19Å; A294-L302 HydrophobicContact CB-CG 4.25Å; A294-E303 WeakPolarHBondContact CA-O 3.38Å; A294-V369 HydrophobicContact CB-CG2 3.46Å; A294-V369 VanDerWaalsContact CB-CG2 3.46Å
295	C	88.1	Confident	84.6	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.9	179.4	178.6	0	0	0	0	108.6	R275 L284 E303 F305	R275-C295 PolarHBondContact NE-SG 2.99Å; L284-C295 HydrophobicContact CD1-CB 3.81Å; C295-E303 PolarHBondContact N-O 2.78Å; C295-E303 PolarHBondContact O-N 2.81Å; C295-F305 HydrophobicContact CB-CE2 4.13Å
296	H	89.4	Confident	84.7	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	152.8	169.8	71.4	89.3	0	0	0	112	V282 S283 L302 R365	V282-H296 PolarHBondContact N-O 2.95Å; S283-H296 PolarHBondContact O-N 3.43Å; S283-H296 PolarHBondContact OG-CD2 3.41Å; S283-H296 PolarHBondContact OG-NE2 2.87Å; H296-L302 HydrophobicContact CB-CD1 3.77Å; H296-R365 PolarHBondContact CE1-O 2.85Å; H296-R365 VanDerWaalsContact CE1-O 3.26Å
297	G	86.1	Confident	84.6	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.01	16%	0.158	C	C	.	.			trans	-96.1	-151.1	168.9	0	0	0	0	0	111.4	R280 D299	R280-G297 WeakPolarHBondContact O-CA 3.49Å; G297-D299 VanDerWaalsContact C-N 3.27Å
298	N	85.6	Confident	84.6	Confident	54 Å²	54	31.6 Å²	31.6	29%	0.289	16%	0.164	S	C	.	.	S	Bend	trans	-86.7	1.1	174.8	-157.8	20.7	0	0	0	113.3	Q384	N298-Q384 PolarHBondContact OD1-NE2 3.27Å; N298-Q384 VanDerWaalsContact OD1-NE2 3.16Å
299	D	87.9	Confident	84.8	Confident	75 Å²	75	29.2 Å²	29.2	40%	0.401	15%	0.147	S	C	.	.	S	Bend	trans	-89	-179.8	179.4	-161.7	9.8	0	0	0	111.9	G297 V301 I364	G297-D299 VanDerWaalsContact C-N 3.27Å; D299-V301 VanDerWaalsContact C-N 3.26Å; D299-V301 PolarHBondContact O-N 3.38Å; D299-I364 PolarHBondContact O-N 3.19Å
300	A	88.7	Confident	85	Confident	14 Å²	14	28.3 Å²	28.3	12%	0.116	15%	0.145	C	C	.	.	S	Bend	trans	-83.3	6.1	176.9	0	0	0	0	0	113.8	A360 A362	A300-A360 PolarHBondContact O-N 3.19Å; A300-A362 WeakPolarHBondContact CB-O 3.42Å
301	V	90.3	Very high	85.1	Confident	37 Å²	37	34 Å²	34	22%	0.224	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.4	-176.5	-174.9	0	0	0	0	111	D299 N357 I358	D299-V301 VanDerWaalsContact C-N 3.26Å; D299-V301 PolarHBondContact O-N 3.38Å; V301-N357 HydrophobicContact CG1-CB 3.92Å; V301-I358 WeakPolarHBondContact CA-O 3.48Å
302	L	89.3	Confident	85	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.7	168.4	-175	79.9	0	0	0	109.3	A294 H296 V304 N357 I358 I364 A367 V379 L381	A294-L302 HydrophobicContact CB-CD1 3.99Å; A294-L302 HydrophobicContact CB-CD2 4.19Å; A294-L302 HydrophobicContact CB-CG 4.25Å; H296-L302 HydrophobicContact CB-CD1 3.77Å; L302-V304 HydrophobicContact CD2-CG2 3.95Å; L302-V304 HydrophobicContact CG-CG2 4.34Å; L302-N357 CarbonylContact O-C 3.57Å; L302-N357 WeakPolarHBondContact O-CA 2.98Å; L302-I358 HydrophobicContact CB-CB 4.19Å; L302-I358 HydrophobicContact CD2-CD1 3.84Å; L302-I358 HydrophobicContact CD2-CG1 4.38Å; L302-I358 PolarHBondContact N-O 3.1Å; L302-I358 PolarHBondContact O-N 3.25Å; L302-I364 HydrophobicContact CB-CD1 3.92Å; L302-A367 HydrophobicContact CD1-CB 3.57Å; L302-V379 HydrophobicContact CD2-CG1 3.65Å; L302-L381 HydrophobicContact CD1-CD2 4.42Å; L302-L381 HydrophobicContact CD2-CD2 4.1Å
303	E	89	Confident	84.6	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.009	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	122.5	173.7	-62.2	-176.8	-151.1	0	0	109.3	E276 A277 A294 C295 F305 R354	E276-E303 PolarHBondContact N-OE1 3.47Å; A277-E303 PolarHBondContact N-OE1 2.74Å; A277-E303 VanDerWaalsContact N-OE1 3.08Å; A294-E303 WeakPolarHBondContact CA-O 3.38Å; C295-E303 PolarHBondContact N-O 2.78Å; C295-E303 PolarHBondContact O-N 2.81Å; E303-F305 HydrophobicContact CB-CE2 3.73Å; E303-F305 HydrophobicContact CB-CZ 4.06Å; E303-F305 WeakPolarHBondContact OE2-CZ 3.33Å; E303-R354 IonicContact OE2-CZ 2.94Å; E303-R354 IonicContact OE2-NE 3.53Å; E303-R354 IonicContact OE2-NH2 2.67Å; E303-R354 PolarHBondContact OE2-NH2 3.22Å
304	V	89.1	Confident	84.1	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.5	177.3	-175.1	0	0	0	0	109.8	V292 I293 L302 L355 T356 I358 L377	V292-V304 HydrophobicContact CG1-CG1 3.47Å; V292-V304 VanDerWaalsContact CG1-CG1 3.47Å; I293-V304 CarbonylContact O-C 3.59Å; I293-V304 WeakPolarHBondContact O-CA 3.41Å; L302-V304 HydrophobicContact CD2-CG2 3.95Å; L302-V304 HydrophobicContact CG-CG2 4.34Å; V304-L355 HydrophobicContact CG1-CB 4.49Å; V304-L355 HydrophobicContact CG1-CD1 4.17Å; V304-L355 PolarHBondContact O-N 3.48Å; V304-T356 PolarHBondContact N-O 3.06Å; V304-I358 HydrophobicContact CG2-CD1 4.19Å; V304-I358 HydrophobicContact CG2-CG1 4.36Å; V304-L377 HydrophobicContact CG1-CD2 4.21Å
305	F	87.9	Confident	83.8	Confident	7 Å²	7	43.9 Å²	43.9	3%	0.031	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	144.5	177.6	-56.4	-91	0	0	0	110.8	L216 I273 V292 I293 C295 E303 I352 I353 R354	L216-F305 HydrophobicContact CD1-CE2 4.1Å; L216-F305 HydrophobicContact CD1-CZ 4.36Å; I273-F305 HydrophobicContact CG2-CE1 4.34Å; V292-F305 CarbonylContact C-O 3.54Å; V292-F305 WeakPolarHBondContact CA-O 3.4Å; I293-F305 HydrophobicContact CB-CB 4.32Å; I293-F305 PolarHBondContact N-O 3.09Å; I293-F305 PolarHBondContact O-N 3.44Å; C295-F305 HydrophobicContact CB-CE2 4.13Å; E303-F305 HydrophobicContact CB-CE2 3.73Å; E303-F305 HydrophobicContact CB-CZ 4.06Å; E303-F305 WeakPolarHBondContact OE2-CZ 3.33Å; F305-I352 HydrophobicContact CB-CG2 3.87Å; F305-I352 HydrophobicContact CD1-CG2 4.23Å; F305-I352 HydrophobicContact CG-CG2 4.31Å; F305-I353 CarbonylContact C-O 3.56Å; F305-I353 WeakPolarHBondContact CA-O 3.48Å; F305-R354 HydrophobicContact CD1-CB 3.93Å; F305-R354 HydrophobicContact CD1-CG 4.42Å; F305-R354 HydrophobicContact CE1-CB 3.93Å; F305-R354 HydrophobicContact CE1-CG 4.23Å
306	T	84.9	Confident	83.3	Confident	22 Å²	22	48 Å²	48	14%	0.135	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	134.6	167.6	39.5	0	0	0	0	111.2	R291 V292 I352 I353 L355	R291-T306 CarbonylContact O-C 3.55Å; R291-T306 WeakPolarHBondContact O-CA 3.47Å; V292-T306 HydrophobicContact CG2-CG2 4.03Å; T306-I352 WeakPolarHBondContact O-CA 3.35Å; T306-I353 PolarHBondContact N-O 2.77Å; T306-I353 PolarHBondContact O-N 2.8Å; T306-I353 PolarHBondContact OG1-O 2.86Å; T306-L355 HydrophobicContact CG2-CD1 3.23Å; T306-L355 HydrophobicContact CG2-CD2 3.73Å; T306-L355 HydrophobicContact CG2-CG 3.39Å
307	V	83.2	Confident	82.7	Confident	19 Å²	19	48.8 Å²	48.8	12%	0.115	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	120.1	164.3	-171.4	0	0	0	0	107.8	L201 R291 I293 I352	L201-V307 HydrophobicContact CD1-CG2 4.08Å; L201-V307 HydrophobicContact CD2-CG2 4.09Å; R291-V307 PolarHBondContact O-N 3.34Å; I293-V307 HydrophobicContact CD1-CG2 3.73Å; I293-V307 HydrophobicContact CG1-CG2 4.17Å; V307-I352 HydrophobicContact CG2-CG1 4.35Å
308	L	80.5	Confident	82.4	Confident	33 Å²	33	52.8 Å²	52.8	17%	0.173	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-78.2	148.7	174.9	-66.8	-178.8	0	0	0	111	E312 V313 K316 E351 I353	L308-E312 HydrophobicContact CB-CB 4.24Å; L308-V313 HydrophobicContact CB-CG2 3.8Å; L308-K316 HydrophobicContact CD1-CD 3.86Å; L308-E351 PolarHBondContact N-O 3.12Å; L308-I353 HydrophobicContact CD1-CD1 3.47Å; L308-I353 VanDerWaalsContact CD1-CD1 3.47Å; L308-I353 HydrophobicContact CD1-CG1 4.32Å; L308-I353 HydrophobicContact CG-CD1 4.18Å
309	S	76.4	Confident	82.2	Confident	31 Å²	31	57.1 Å²	57.1	22%	0.217	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-68.9	154.4	172	59.3	0	0	0	0	111.6	E311 E312 V313	S309-E311 PolarHBondContact O-N 3.12Å; S309-E311 VanDerWaalsContact O-N 3.15Å; S309-E312 PolarHBondContact N-OE2 3.01Å; S309-E312 PolarHBondContact O-N 3.31Å; S309-E312 VanDerWaalsContact OG-CG 3.26Å; S309-E312 WeakPolarHBondContact OG-CG 3.38Å; S309-E312 PolarHBondContact OG-OE2 3.32Å; S309-V313 WeakPolarHBondContact O-CG2 3.48Å; S309-V313 PolarHBondContact O-N 3.26Å
310	E	73.8	Confident	81.8	Confident	131 Å²	131	57.5 Å²	57.5	61%	0.612	27%	0.273	S	S	*	.	H	α-helix	trans	-52.6	-38.7	177.8	-66.6	-170	143.9	0	0	112.5	E312 V313 Q314	E310-E312 PolarHBondContact O-N 3.47Å; E310-V313 PolarHBondContact O-N 3.19Å; E310-Q314 VanDerWaalsContact O-CB 3.31Å; E310-Q314 WeakPolarHBondContact O-CB 3.42Å; E310-Q314 PolarHBondContact O-N 2.85Å
311	E	76.3	Confident	81.4	Confident	134 Å²	134	59.2 Å²	59.2	63%	0.626	28%	0.279	S	S	*	.	H	α-helix	trans	-63.2	-41.1	176.9	-64	-174.1	-173	0	0	112.8	S309 Q314 R315	S309-E311 PolarHBondContact O-N 3.12Å; S309-E311 VanDerWaalsContact O-N 3.15Å; E311-Q314 PolarHBondContact O-N 3.3Å; E311-R315 WeakPolarHBondContact O-CB 3.44Å; E311-R315 VanDerWaalsContact O-CG 3.26Å; E311-R315 WeakPolarHBondContact O-CG 3.3Å; E311-R315 PolarHBondContact O-N 3.29Å
312	E	77.9	Confident	80.9	Confident	82 Å²	82	65.1 Å²	65.1	38%	0.383	30%	0.302	S	S	.	.	H	α-helix	trans	-71.4	-39.9	178.5	-71.5	166.9	149.9	0	0	111.6	L308 S309 E310 Q314 R315 K316	L308-E312 HydrophobicContact CB-CB 4.24Å; S309-E312 PolarHBondContact N-OE2 3.01Å; S309-E312 PolarHBondContact O-N 3.31Å; S309-E312 VanDerWaalsContact OG-CG 3.26Å; S309-E312 WeakPolarHBondContact OG-CG 3.38Å; S309-E312 PolarHBondContact OG-OE2 3.32Å; E310-E312 PolarHBondContact O-N 3.47Å; E312-Q314 VanDerWaalsContact C-N 3.32Å; E312-R315 PolarHBondContact O-N 2.79Å; E312-K316 PolarHBondContact O-N 2.84Å
313	V	76.9	Confident	80.5	Confident	11 Å²	11	72.4 Å²	72.4	7%	0.067	33%	0.334	C	S	.	.	H	α-helix	trans	-58.5	-47.9	172.4	174.9	0	0	0	0	109.2	L308 S309 E310 R315 K316 M317 E351	L308-V313 HydrophobicContact CB-CG2 3.8Å; S309-V313 WeakPolarHBondContact O-CG2 3.48Å; S309-V313 PolarHBondContact O-N 3.26Å; E310-V313 PolarHBondContact O-N 3.19Å; V313-R315 PolarHBondContact O-N 2.84Å; V313-K316 CarbonylContact O-C 3.57Å; V313-K316 WeakPolarHBondContact O-CA 3.43Å; V313-K316 WeakPolarHBondContact O-CB 3.39Å; V313-K316 PolarHBondContact O-N 2.94Å; V313-M317 HydrophobicContact CG1-CG 4.31Å; V313-M317 WeakPolarHBondContact O-CG 3.33Å; V313-M317 PolarHBondContact O-N 2.78Å; V313-E351 HydrophobicContact CG1-CG 3.92Å; V313-E351 HydrophobicContact CG2-CB 4.37Å; V313-E351 HydrophobicContact CG2-CG 3.87Å
314	Q	77.5	Confident	79.9	Confident	106 Å²	106	73.8 Å²	73.8	50%	0.495	35%	0.346	S	S	.	.	H	α-helix	trans	-67.3	-36.4	-179.3	-152.4	155.2	8.7	0	0	112.3	E310 E311 E312 K316 M317 N318	E310-Q314 VanDerWaalsContact O-CB 3.31Å; E310-Q314 WeakPolarHBondContact O-CB 3.42Å; E310-Q314 PolarHBondContact O-N 2.85Å; E311-Q314 PolarHBondContact O-N 3.3Å; E312-Q314 VanDerWaalsContact C-N 3.32Å; Q314-K316 VanDerWaalsContact C-N 3.33Å; Q314-K316 PolarHBondContact O-N 2.78Å; Q314-M317 PolarHBondContact O-N 3.31Å; Q314-N318 WeakPolarHBondContact O-CB 3.26Å; Q314-N318 PolarHBondContact O-N 2.85Å; Q314-N318 PolarHBondContact O-ND2 2.87Å
315	R	80.4	Confident	79.3	Confident	162 Å²	162	78.8 Å²	78.8	61%	0.611	37%	0.368	S	S	*	.	H	α-helix	trans	-61.1	-39.9	169.5	-74.5	172.3	-172.9	-173.6	5.2	111.9	E311 E312 V313 K319	E311-R315 WeakPolarHBondContact O-CB 3.44Å; E311-R315 VanDerWaalsContact O-CG 3.26Å; E311-R315 WeakPolarHBondContact O-CG 3.3Å; E311-R315 PolarHBondContact O-N 3.29Å; E312-R315 PolarHBondContact O-N 2.79Å; V313-R315 PolarHBondContact O-N 2.84Å; R315-K319 WeakPolarHBondContact O-CG 3.32Å; R315-K319 PolarHBondContact O-N 3.06Å; R315-K319 VanDerWaalsContact O-N 3.12Å
316	K	78.9	Confident	78.8	Confident	86 Å²	86	85.4 Å²	85.4	37%	0.374	40%	0.396	S	S	.	.	H	α-helix	trans	-69	-42.9	175	-78.6	-171.7	177.8	-172.9	0	112.1	L308 E312 V313 Q314 N318 K319 K320	L308-K316 HydrophobicContact CD1-CD 3.86Å; E312-K316 PolarHBondContact O-N 2.84Å; V313-K316 CarbonylContact O-C 3.57Å; V313-K316 WeakPolarHBondContact O-CA 3.43Å; V313-K316 WeakPolarHBondContact O-CB 3.39Å; V313-K316 PolarHBondContact O-N 2.94Å; Q314-K316 VanDerWaalsContact C-N 3.33Å; Q314-K316 PolarHBondContact O-N 2.78Å; K316-N318 VanDerWaalsContact C-N 3.34Å; K316-N318 PolarHBondContact O-N 2.83Å; K316-K319 WeakPolarHBondContact O-CB 3.44Å; K316-K319 PolarHBondContact O-N 3.14Å; K316-K319 VanDerWaalsContact O-N 3.12Å; K316-K320 PolarHBondContact O-N 3.48Å
317	M	75.4	Confident	78.3	Confident	17 Å²	17	91.8 Å²	91.8	8%	0.084	42%	0.422	C	S	.	.	H	α-helix	trans	-59.8	-45.1	175.4	-70.2	-60.4	-78	0	0	111	V313 Q314 K319 K320 L321 V344 R346	V313-M317 HydrophobicContact CG1-CG 4.31Å; V313-M317 WeakPolarHBondContact O-CG 3.33Å; V313-M317 PolarHBondContact O-N 2.78Å; Q314-M317 PolarHBondContact O-N 3.31Å; M317-K319 VanDerWaalsContact C-N 3.3Å; M317-K319 PolarHBondContact O-N 2.79Å; M317-K320 CarbonylContact O-C 3.5Å; M317-K320 PolarHBondContact O-N 2.77Å; M317-K320 VanDerWaalsContact O-N 3.09Å; M317-L321 WeakPolarHBondContact O-CB 3.5Å; M317-L321 PolarHBondContact O-N 3.36Å; M317-V344 HydrophobicContact CE-CB 4.1Å; M317-V344 HydrophobicContact CE-CG1 3.72Å; M317-V344 WeakPolarHBondContact CE-O 3.28Å; M317-V344 HydrophobicContact SD-CG1 4.35Å; M317-R346 HydrophobicContact CE-CG 3.9Å
318	N	80.7	Confident	77.5	Confident	86 Å²	86	92.7 Å²	92.7	46%	0.46	43%	0.432	S	S	.	.	H	α-helix	trans	-61.4	-37.1	175.2	-72.5	-16.5	0	0	0	112.3	Q314 K316 K322	Q314-N318 WeakPolarHBondContact O-CB 3.26Å; Q314-N318 PolarHBondContact O-N 2.85Å; Q314-N318 PolarHBondContact O-ND2 2.87Å; K316-N318 VanDerWaalsContact C-N 3.34Å; K316-N318 PolarHBondContact O-N 2.83Å; N318-K322 WeakPolarHBondContact O-CB 3.27Å; N318-K322 VanDerWaalsContact O-CG 3.24Å; N318-K322 WeakPolarHBondContact O-CG 3.47Å; N318-K322 PolarHBondContact O-N 3.3Å
319	K	81.1	Confident	76.9	Confident	144 Å²	144	93.9 Å²	93.9	63%	0.626	45%	0.446	S	S	*	.	H	α-helix	trans	-67.5	-39.8	173	-74.4	174.8	-178.6	178.7	0	112.1	R315 K316 M317 K323	R315-K319 WeakPolarHBondContact O-CG 3.32Å; R315-K319 PolarHBondContact O-N 3.06Å; R315-K319 VanDerWaalsContact O-N 3.12Å; K316-K319 WeakPolarHBondContact O-CB 3.44Å; K316-K319 PolarHBondContact O-N 3.14Å; K316-K319 VanDerWaalsContact O-N 3.12Å; M317-K319 VanDerWaalsContact C-N 3.3Å; M317-K319 PolarHBondContact O-N 2.79Å; K319-K323 WeakPolarHBondContact O-CG 3.21Å; K319-K323 PolarHBondContact O-N 3.48Å
320	K	80.2	Confident	76.3	Confident	84 Å²	84	99.9 Å²	99.9	37%	0.365	47%	0.469	S	S	.	.	H	α-helix	trans	-66.5	-46.8	175.6	-76.6	-168.7	177.5	-169.2	0	111.6	K316 M317 K322 K323 A324 D350	K316-K320 PolarHBondContact O-N 3.48Å; M317-K320 CarbonylContact O-C 3.5Å; M317-K320 PolarHBondContact O-N 2.77Å; M317-K320 VanDerWaalsContact O-N 3.09Å; K320-K322 VanDerWaalsContact C-N 3.35Å; K320-K322 PolarHBondContact O-N 2.74Å; K320-K323 CarbonylContact O-C 3.54Å; K320-K323 PolarHBondContact O-N 3.18Å; K320-K323 VanDerWaalsContact O-N 3.1Å; K320-A324 WeakPolarHBondContact O-CB 3.12Å; K320-A324 PolarHBondContact O-N 3.26Å; K320-D350 VanDerWaalsContact CE-OD1 3.31Å; K320-D350 WeakPolarHBondContact CE-OD1 3.36Å; K320-D350 IonicContact NZ-OD1 3.57Å; K320-D350 PolarHBondContact NZ-OD1 2.9Å; K320-D350 IonicContact NZ-OD2 3.47Å; K320-D350 PolarHBondContact NZ-OD2 3.28Å
321	L	78.9	Confident	75.5	Confident	50 Å²	50	99.3 Å²	99.3	26%	0.262	47%	0.474	S	S	.	.	H	α-helix	trans	-56.5	-45.9	173	-95.5	151	0	0	0	111.4	M317 K323 A324 K325 V344	M317-L321 WeakPolarHBondContact O-CB 3.5Å; M317-L321 PolarHBondContact O-N 3.36Å; L321-K323 VanDerWaalsContact C-N 3.35Å; L321-K323 PolarHBondContact O-N 3.36Å; L321-A324 PolarHBondContact O-N 3.27Å; L321-K325 WeakPolarHBondContact O-CB 3.34Å; L321-K325 VanDerWaalsContact O-CG 3.31Å; L321-K325 WeakPolarHBondContact O-CG 3.46Å; L321-K325 PolarHBondContact O-N 2.87Å; L321-V344 HydrophobicContact CD2-CG2 4.29Å; L321-V344 HydrophobicContact CG-CB 4.45Å; L321-V344 HydrophobicContact CG-CG2 4Å
322	K	81.1	Confident	74.4	Confident	160 Å²	160	98.4 Å²	98.4	70%	0.696	47%	0.47	S	S	*	.	H	α-helix	trans	-61.9	-39.3	174.5	-75.8	178.9	-179	-171.4	0	112.6	N318 K320 K326	N318-K322 WeakPolarHBondContact O-CB 3.27Å; N318-K322 VanDerWaalsContact O-CG 3.24Å; N318-K322 WeakPolarHBondContact O-CG 3.47Å; N318-K322 PolarHBondContact O-N 3.3Å; K320-K322 VanDerWaalsContact C-N 3.35Å; K320-K322 PolarHBondContact O-N 2.74Å; K322-K326 VanDerWaalsContact O-CB 3.26Å; K322-K326 WeakPolarHBondContact O-CB 3.24Å; K322-K326 PolarHBondContact O-N 3.14Å
323	K	80.3	Confident	73.1	Confident	153 Å²	153	103.5 Å²	103.5	67%	0.665	49%	0.493	S	S	*	.	H	α-helix	trans	-70.2	-38.6	175.2	-77.6	-176.6	177.8	-174.3	0	112.7	K319 K320 L321 K326 K327	K319-K323 WeakPolarHBondContact O-CG 3.21Å; K319-K323 PolarHBondContact O-N 3.48Å; K320-K323 CarbonylContact O-C 3.54Å; K320-K323 PolarHBondContact O-N 3.18Å; K320-K323 VanDerWaalsContact O-N 3.1Å; L321-K323 VanDerWaalsContact C-N 3.35Å; L321-K323 PolarHBondContact O-N 3.36Å; K323-K326 PolarHBondContact O-N 2.97Å; K323-K327 WeakPolarHBondContact O-CB 3.16Å; K323-K327 WeakPolarHBondContact O-CG 3.42Å; K323-K327 PolarHBondContact O-N 3.41Å
324	A	76.6	Confident	71.7	Confident	32 Å²	32	106.4 Å²	106.4	26%	0.264	53%	0.526	S	S	.	.	H	α-helix	trans	-66.9	-46.6	176.8	0	0	0	0	0	110.4	K320 L321 K326 K327 A328 V344	K320-A324 WeakPolarHBondContact O-CB 3.12Å; K320-A324 PolarHBondContact O-N 3.26Å; L321-A324 PolarHBondContact O-N 3.27Å; A324-K326 VanDerWaalsContact C-N 3.33Å; A324-K326 PolarHBondContact O-N 3.04Å; A324-K327 PolarHBondContact O-N 2.89Å; A324-K327 VanDerWaalsContact O-N 3.15Å; A324-A328 WeakPolarHBondContact O-CB 3.36Å; A324-A328 PolarHBondContact O-N 2.83Å; A324-V344 HydrophobicContact CB-CG2 4.5Å
325	K	77.1	Confident	69.8	Low	105 Å²	105	105.4 Å²	105.4	46%	0.457	54%	0.536	S	S	.	.	H	α-helix	trans	-58.5	-41.8	171.3	-71.2	-172.8	178.6	-162.7	0	111.6	L321 A329 P342	L321-K325 WeakPolarHBondContact O-CB 3.34Å; L321-K325 VanDerWaalsContact O-CG 3.31Å; L321-K325 WeakPolarHBondContact O-CG 3.46Å; L321-K325 PolarHBondContact O-N 2.87Å; K325-A329 VanDerWaalsContact O-CB 3.25Å; K325-A329 WeakPolarHBondContact O-CB 3.22Å; K325-A329 PolarHBondContact O-N 3.43Å; K325-P342 HydrophobicContact CG-CG 4.19Å
326	K	76.6	Confident	67.9	Low	145 Å²	145	101.6 Å²	101.6	63%	0.63	55%	0.547	S	S	*	.	H	α-helix	trans	-69.1	-31.1	175.5	-170.3	172.3	-177	173.9	0	113.6	K322 K323 A324 K330	K322-K326 VanDerWaalsContact O-CB 3.26Å; K322-K326 WeakPolarHBondContact O-CB 3.24Å; K322-K326 PolarHBondContact O-N 3.14Å; K323-K326 PolarHBondContact O-N 2.97Å; A324-K326 VanDerWaalsContact C-N 3.33Å; A324-K326 PolarHBondContact O-N 3.04Å; K326-K330 WeakPolarHBondContact O-CG 3.24Å; K326-K330 PolarHBondContact O-N 2.91Å
327	K	75	Confident	66.3	Low	156 Å²	156	105.1 Å²	105.1	68%	0.678	57%	0.57	S	S	*	*	H	α-helix	trans	-73.2	-48.8	173	-83.4	-171.7	173.8	-169.6	0	110.6	K323 A324 A329 K330 T331	K323-K327 WeakPolarHBondContact O-CB 3.16Å; K323-K327 WeakPolarHBondContact O-CG 3.42Å; K323-K327 PolarHBondContact O-N 3.41Å; A324-K327 PolarHBondContact O-N 2.89Å; A324-K327 VanDerWaalsContact O-N 3.15Å; K327-A329 VanDerWaalsContact C-N 3.3Å; K327-A329 PolarHBondContact O-N 2.82Å; K327-K330 CarbonylContact O-C 3.58Å; K327-K330 WeakPolarHBondContact O-CA 3.47Å; K327-K330 WeakPolarHBondContact O-CB 3.5Å; K327-K330 PolarHBondContact O-N 2.84Å; K327-T331 PolarHBondContact O-N 3.11Å; K327-T331 PolarHBondContact O-OG1 3.05Å
328	A	66	Low	64.9	Low	39 Å²	39	112.4 Å²	112.4	32%	0.322	60%	0.604	S	S	.	*	H	α-helix	trans	-56.2	-43.9	175.8	0	0	0	0	0	111.8	A324 K330 T331 Q332	A324-A328 WeakPolarHBondContact O-CB 3.36Å; A324-A328 PolarHBondContact O-N 2.83Å; A328-K330 VanDerWaalsContact C-N 3.27Å; A328-K330 PolarHBondContact O-N 2.85Å; A328-T331 PolarHBondContact O-N 3.47Å; A328-Q332 WeakPolarHBondContact O-CB 3.24Å; A328-Q332 VanDerWaalsContact O-CG 3.31Å; A328-Q332 WeakPolarHBondContact O-CG 3.37Å; A328-Q332 PolarHBondContact O-N 3.37Å; A328-Q332 VanDerWaalsContact O-N 3.08Å
329	A	66.6	Low	63	Low	58 Å²	58	114.1 Å²	114.1	48%	0.479	62%	0.617	S	S	.	*	H	α-helix	trans	-64.5	-27	174.7	0	0	0	0	0	113.7	K325 K327	K325-A329 VanDerWaalsContact O-CB 3.25Å; K325-A329 WeakPolarHBondContact O-CB 3.22Å; K325-A329 PolarHBondContact O-N 3.43Å; K327-A329 VanDerWaalsContact C-N 3.3Å; K327-A329 PolarHBondContact O-N 2.82Å
330	K	65.3	Low	61.3	Low	157 Å²	157	111.6 Å²	111.6	68%	0.683	62%	0.624	S	S	*	*	H	α-helix	trans	-81.5	-28.6	173.7	-81.6	-172.1	171.4	-157.3	0	113.1	K326 K327 A328 Q332	K326-K330 WeakPolarHBondContact O-CG 3.24Å; K326-K330 PolarHBondContact O-N 2.91Å; K327-K330 CarbonylContact O-C 3.58Å; K327-K330 WeakPolarHBondContact O-CA 3.47Å; K327-K330 WeakPolarHBondContact O-CB 3.5Å; K327-K330 PolarHBondContact O-N 2.84Å; A328-K330 VanDerWaalsContact C-N 3.27Å; A328-K330 PolarHBondContact O-N 2.85Å; K330-Q332 VanDerWaalsContact C-N 3.27Å
331	T	57.3	Low	59.6	Low	118 Å²	118	115 Å²	115	72%	0.724	64%	0.641	S	S	*	*	H	α-helix	trans	-78.7	-14.1	174.1	-17.4	0	0	0	0	112.3	K327 A328	K327-T331 PolarHBondContact O-N 3.11Å; K327-T331 PolarHBondContact O-OG1 3.05Å; A328-T331 PolarHBondContact O-N 3.47Å
332	Q	52.7	Low	58	Low	115 Å²	115	115.2 Å²	115.2	54%	0.537	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.6	3.4	-177.3	-86.3	179	-18.9	0	0	115.4	A328 K330 G334	A328-Q332 WeakPolarHBondContact O-CB 3.24Å; A328-Q332 VanDerWaalsContact O-CG 3.31Å; A328-Q332 WeakPolarHBondContact O-CG 3.37Å; A328-Q332 PolarHBondContact O-N 3.37Å; A328-Q332 VanDerWaalsContact O-N 3.08Å; K330-Q332 VanDerWaalsContact C-N 3.27Å; Q332-G334 PolarHBondContact O-N 2.92Å; Q332-G334 VanDerWaalsContact O-N 3.13Å
333	E	50.9	Low	56.4	Low	189 Å²	189	113.5 Å²	113.5	88%	0.883	65%	0.648	S	S	*	*	S	Bend	trans	-74.9	12.5	173.1	-85.2	-177.3	167.1	0	0	114.1
334	G	47.5	Very low	55.3	Low	73 Å²	73	108.4 Å²	108.4	75%	0.753	63%	0.629	S	S	*	*	S	Bend	trans	-149.8	1.4	-174.6	0	0	0	0	0	119.8	Q332	Q332-G334 PolarHBondContact O-N 2.92Å; Q332-G334 VanDerWaalsContact O-N 3.13Å
335	A	37.8	Very low	54.3	Low	85 Å²	85	114.2 Å²	114.2	70%	0.702	65%	0.651	S	S	*	*			trans	-152.3	129.3	173.9	0	0	0	0	0	111.5
336	G	40.6	Very low	53.5	Low	81 Å²	81	116.9 Å²	116.9	84%	0.835	66%	0.658	S	S	*	*			trans	-77.1	134.3	-176	0	0	0	0	0	114.1
337	D	43.9	Very low	53	Low	160 Å²	160	113 Å²	113	86%	0.856	65%	0.647	S	S	*	*	S	Bend	trans	62.4	140.8	151.6	-128	-7.5	0	0	0	122.6
338	Q	46.2	Very low	52.9	Low	171 Å²	171	106.4 Å²	106.4	80%	0.799	62%	0.619	S	S	*	*			trans	69	101.1	-177.1	-56	-174	17.2	0	0	116.9
339	T	41.8	Very low	53.1	Low	121 Å²	121	111.3 Å²	111.3	74%	0.742	63%	0.633	S	S	*	*			trans	-146.9	135.2	152.6	37.1	0	0	0	0	112.9
340	A	44.8	Very low	53.2	Low	92 Å²	92	109.7 Å²	109.7	76%	0.76	62%	0.616	S	S	*	*			trans	-49.8	150.5	173.7	0	0	0	0	0	113
341	E	45.4	Very low	53.7	Low	155 Å²	155	103.1 Å²	103.1	72%	0.724	59%	0.588	S	S	*	*			trans	-53.3	133.8	171.4	-66.7	-159.1	128	0	0	110.2	V343	E341-V343 PolarHBondContact O-N 2.86Å
342	P	44.6	Very low	55	Low	54 Å²	54	97.9 Å²	97.9	35%	0.351	56%	0.555	S	S	.	*			trans	-67	104.9	178.7	25.9	-32.9	0	0	0	109.6	K325 V344	K325-P342 HydrophobicContact CG-CG 4.19Å; P342-V344 PolarHBondContact O-N 3.43Å
343	V	48.2	Very low	56.4	Low	125 Å²	125	94.7 Å²	94.7	76%	0.758	54%	0.542	S	S	*	.			trans	-72.7	106.1	171	-177.8	0	0	0	0	107.6	E341 E345	E341-V343 PolarHBondContact O-N 2.86Å; V343-E345 HydrophobicContact CG1-CG 4.35Å
344	V	55.6	Low	57.9	Low	45 Å²	45	89.9 Å²	89.9	27%	0.273	52%	0.515	S	S	.	.			trans	-89.5	104.2	169.8	-176.3	0	0	0	0	107	M317 L321 A324 P342	M317-V344 HydrophobicContact CE-CB 4.1Å; M317-V344 HydrophobicContact CE-CG1 3.72Å; M317-V344 WeakPolarHBondContact CE-O 3.28Å; M317-V344 HydrophobicContact SD-CG1 4.35Å; L321-V344 HydrophobicContact CD2-CG2 4.29Å; L321-V344 HydrophobicContact CG-CB 4.45Å; L321-V344 HydrophobicContact CG-CG2 4Å; A324-V344 HydrophobicContact CB-CG2 4.5Å; P342-V344 PolarHBondContact O-N 3.43Å
345	E	55.8	Low	59.5	Low	155 Å²	155	88.1 Å²	88.1	72%	0.724	49%	0.488	S	S	*	.			trans	-66.4	142.3	174.9	-67.2	-176.4	164.3	0	0	111.1	V343 T347	V343-E345 HydrophobicContact CG1-CG 4.35Å; E345-T347 PolarHBondContact O-N 2.94Å
346	R	60.3	Low	61.7	Low	160 Å²	160	85.4 Å²	85.4	60%	0.604	46%	0.463	S	S	*	.			trans	-72.2	114.2	176.8	-67.6	-177.9	-175.7	-169.9	1.6	108.5	M317	M317-R346 HydrophobicContact CE-CG 3.9Å
347	T	67	Low	63.9	Low	65 Å²	65	84.4 Å²	84.4	40%	0.399	44%	0.439	S	S	.	.			trans	-100.1	141.7	175.8	68.3	0	0	0	0	110.8	E345 K349 D350	E345-T347 PolarHBondContact O-N 2.94Å; T347-K349 PolarHBondContact O-N 2.77Å; T347-K349 VanDerWaalsContact O-N 3.11Å; T347-D350 WeakPolarHBondContact O-CB 3.4Å; T347-D350 PolarHBondContact O-N 3.15Å; T347-D350 PolarHBondContact OG1-OD2 2.93Å
348	L	72.1	Confident	65.9	Low	16 Å²	16	76.9 Å²	76.9	8%	0.084	40%	0.398	C	S	.	.	H	α-helix	trans	-55.5	-30.4	178.8	-84.8	167.3	0	0	0	114.2	A218 A270 D350 E351 I352	A218-L348 HydrophobicContact CB-CD1 3.84Å; A218-L348 HydrophobicContact CB-CD2 3.75Å; A218-L348 HydrophobicContact CB-CG 4.48Å; A270-L348 HydrophobicContact CB-CD1 4.01Å; A270-L348 HydrophobicContact CB-CD2 4.15Å; A270-L348 HydrophobicContact CB-CG 4.3Å; A270-L348 WeakPolarHBondContact O-CD1 3.44Å; L348-D350 PolarHBondContact O-N 3.09Å; L348-E351 PolarHBondContact O-N 3.22Å; L348-E351 VanDerWaalsContact O-N 3.15Å; L348-I352 PolarHBondContact O-N 2.54Å
349	K	70.1	Confident	68	Low	143 Å²	143	76.8 Å²	76.8	62%	0.622	40%	0.395	S	S	*	.	H	α-helix	trans	-64.5	-17.6	176.6	-66.9	-177.5	179.3	176.9	0	113.2	T347	T347-K349 PolarHBondContact O-N 2.77Å; T347-K349 VanDerWaalsContact O-N 3.11Å
350	D	70.1	Confident	70.2	Confident	24 Å²	24	71.4 Å²	71.4	13%	0.128	36%	0.363	C	S	.	.	H	α-helix	trans	-87.6	-20.9	176.7	-67.3	-39.5	0	0	0	113.4	K320 T347 L348	K320-D350 VanDerWaalsContact CE-OD1 3.31Å; K320-D350 WeakPolarHBondContact CE-OD1 3.36Å; K320-D350 IonicContact NZ-OD1 3.57Å; K320-D350 PolarHBondContact NZ-OD1 2.9Å; K320-D350 IonicContact NZ-OD2 3.47Å; K320-D350 PolarHBondContact NZ-OD2 3.28Å; T347-D350 WeakPolarHBondContact O-CB 3.4Å; T347-D350 PolarHBondContact O-N 3.15Å; T347-D350 PolarHBondContact OG1-OD2 2.93Å; L348-D350 PolarHBondContact O-N 3.09Å
351	E	76	Confident	72.3	Confident	19 Å²	19	69.6 Å²	69.6	9%	0.089	35%	0.345	C	S	.	.	H	α-helix	trans	-98.2	-42	-176.6	-65.5	170.6	152.5	0	0	111.2	R206 L308 V313 L348	R206-E351 IonicContact CZ-OE2 3.05Å; R206-E351 VanDerWaalsContact NH1-CD 3.33Å; R206-E351 IonicContact NH1-OE1 3.83Å; R206-E351 IonicContact NH1-OE2 2.82Å; R206-E351 PolarHBondContact NH1-OE2 3.12Å; R206-E351 VanDerWaalsContact NH2-CD 3.33Å; R206-E351 IonicContact NH2-OE1 2.65Å; R206-E351 PolarHBondContact NH2-OE1 3.23Å; R206-E351 IonicContact NH2-OE2 2.88Å; R206-E351 PolarHBondContact NH2-OE2 2.87Å; L308-E351 PolarHBondContact N-O 3.12Å; V313-E351 HydrophobicContact CG1-CG 3.92Å; V313-E351 HydrophobicContact CG2-CB 4.37Å; V313-E351 HydrophobicContact CG2-CG 3.87Å; L348-E351 PolarHBondContact O-N 3.22Å; L348-E351 VanDerWaalsContact O-N 3.15Å
352	I	83.3	Confident	74.4	Confident	8 Å²	8	63.3 Å²	63.3	4%	0.041	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.4	175.9	-55.6	-179.4	0	0	0	108.6	L201 I273 F305 T306 V307 L348	L201-I352 HydrophobicContact CD1-CD1 4.2Å; I273-I352 HydrophobicContact CD1-CB 3.7Å; I273-I352 HydrophobicContact CD1-CD1 3.8Å; I273-I352 HydrophobicContact CD1-CG1 4.26Å; I273-I352 HydrophobicContact CD1-CG2 3.77Å; F305-I352 HydrophobicContact CB-CG2 3.87Å; F305-I352 HydrophobicContact CD1-CG2 4.23Å; F305-I352 HydrophobicContact CG-CG2 4.31Å; T306-I352 WeakPolarHBondContact O-CA 3.35Å; V307-I352 HydrophobicContact CG2-CG1 4.35Å; L348-I352 PolarHBondContact O-N 2.54Å
353	I	82.9	Confident	76.6	Confident	48 Å²	48	65.8 Å²	65.8	25%	0.246	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133.1	-173.9	-58.2	-177.3	0	0	0	109.2	F305 T306 L308 L355	F305-I353 CarbonylContact C-O 3.56Å; F305-I353 WeakPolarHBondContact CA-O 3.48Å; T306-I353 PolarHBondContact N-O 2.77Å; T306-I353 PolarHBondContact O-N 2.8Å; T306-I353 PolarHBondContact OG1-O 2.86Å; L308-I353 HydrophobicContact CD1-CD1 3.47Å; L308-I353 VanDerWaalsContact CD1-CD1 3.47Å; L308-I353 HydrophobicContact CD1-CG1 4.32Å; L308-I353 HydrophobicContact CG-CD1 4.18Å; I353-L355 PolarHBondContact O-N 3.42Å
354	R	82.8	Confident	78.6	Confident	87 Å²	87	59.9 Å²	59.9	33%	0.328	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	122.3	171.3	-172.9	178.1	-72.5	166.5	-3	109.4	E276 E303 F305	E276-R354 IonicContact OE2-CZ 3.96Å; E276-R354 IonicContact OE2-NH1 2.98Å; E276-R354 PolarHBondContact OE2-NH1 2.89Å; E303-R354 IonicContact OE2-CZ 2.94Å; E303-R354 IonicContact OE2-NE 3.53Å; E303-R354 IonicContact OE2-NH2 2.67Å; E303-R354 PolarHBondContact OE2-NH2 3.22Å; F305-R354 HydrophobicContact CD1-CB 3.93Å; F305-R354 HydrophobicContact CD1-CG 4.42Å; F305-R354 HydrophobicContact CE1-CB 3.93Å; F305-R354 HydrophobicContact CE1-CG 4.23Å
355	L	81.2	Confident	80.3	Confident	36 Å²	36	61.6 Å²	61.6	19%	0.188	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-66.7	172.5	-79.3	-175.7	0	0	0	110.1	V304 T306 I353 P400	V304-L355 HydrophobicContact CG1-CB 4.49Å; V304-L355 HydrophobicContact CG1-CD1 4.17Å; V304-L355 PolarHBondContact O-N 3.48Å; T306-L355 HydrophobicContact CG2-CD1 3.23Å; T306-L355 HydrophobicContact CG2-CD2 3.73Å; T306-L355 HydrophobicContact CG2-CG 3.39Å; I353-L355 PolarHBondContact O-N 3.42Å; L355-P400 HydrophobicContact CB-CG 4.35Å; L355-P400 HydrophobicContact CD2-CG 4.31Å
356	T	83.1	Confident	81.9	Confident	28 Å²	28	56.5 Å²	56.5	17%	0.172	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	157.2	-172.7	46.4	0	0	0	0	112.6	V304 P400	V304-T356 PolarHBondContact N-O 3.06Å; T356-P400 HydrophobicContact CG2-CG 4.05Å; T356-P400 WeakPolarHBondContact CG2-O 3.28Å
357	N	86.5	Confident	83.4	Confident	60 Å²	60	48.9 Å²	48.9	32%	0.321	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125.2	171.1	-63.2	-5.6	0	0	0	109.2	E276 V301 L302	E276-N357 PolarHBondContact OE2-ND2 3.48Å; V301-N357 HydrophobicContact CG1-CB 3.92Å; L302-N357 CarbonylContact O-C 3.57Å; L302-N357 WeakPolarHBondContact O-CA 2.98Å
358	I	87.3	Confident	84.4	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.8	173.5	-47.7	-179.2	0	0	0	108	V301 L302 V304 V379 Y391 L393 A402	V301-I358 WeakPolarHBondContact CA-O 3.48Å; L302-I358 HydrophobicContact CB-CB 4.19Å; L302-I358 HydrophobicContact CD2-CD1 3.84Å; L302-I358 HydrophobicContact CD2-CG1 4.38Å; L302-I358 PolarHBondContact N-O 3.1Å; L302-I358 PolarHBondContact O-N 3.25Å; V304-I358 HydrophobicContact CG2-CD1 4.19Å; V304-I358 HydrophobicContact CG2-CG1 4.36Å; I358-V379 HydrophobicContact CD1-CB 4.46Å; I358-V379 HydrophobicContact CD1-CG1 4.5Å; I358-V379 HydrophobicContact CD1-CG2 4.28Å; I358-Y391 HydrophobicContact CG2-CD1 3.65Å; I358-Y391 HydrophobicContact CG2-CD2 3.98Å; I358-Y391 HydrophobicContact CG2-CE1 3.71Å; I358-Y391 HydrophobicContact CG2-CE2 4.07Å; I358-Y391 HydrophobicContact CG2-CG 3.8Å; I358-L393 HydrophobicContact CD1-CD1 3.58Å; I358-L393 HydrophobicContact CG1-CD1 4.29Å; I358-A402 HydrophobicContact CB-CB 4.49Å; I358-A402 HydrophobicContact CD1-CB 4.21Å; I358-A402 HydrophobicContact CG1-CB 3.86Å; I358-A402 HydrophobicContact CG2-CB 4.2Å
359	K	89	Confident	85.2	Confident	168 Å²	168	46.8 Å²	46.8	73%	0.73	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	112.5	174.6	-171.9	174	-178	175.5	0	109.9
360	A	88.9	Confident	85.9	Confident	8 Å²	8	41.4 Å²	41.4	7%	0.066	20%	0.2	C	C	.	.			trans	-78.7	167.6	176	0	0	0	0	0	112.2	A300 A362 I364 L381 L383	A300-A360 PolarHBondContact O-N 3.19Å; A360-A362 VanDerWaalsContact C-N 3.31Å; A360-A362 PolarHBondContact O-N 3.42Å; A360-I364 HydrophobicContact CB-CD1 3.96Å; A360-I364 HydrophobicContact CB-CG1 3.75Å; A360-L381 HydrophobicContact CB-CD1 3.95Å; A360-L383 HydrophobicContact CB-CD1 4.35Å; A360-L383 HydrophobicContact CB-CD2 3.79Å
361	S	88.4	Confident	86.5	Confident	55 Å²	55	41.7 Å²	41.7	39%	0.385	20%	0.204	S	C	.	.	S	Bend	trans	-74.6	-17.7	178.7	68.9	0	0	0	0	114.9	L383 E389	S361-L383 WeakPolarHBondContact OG-CD1 3.41Å; S361-E389 WeakPolarHBondContact CB-OE1 3.37Å; S361-E389 PolarHBondContact N-OE2 2.79Å; S361-E389 PolarHBondContact OG-OE1 3.47Å
362	A	88.9	Confident	86.5	Confident	22 Å²	22	41.6 Å²	41.6	18%	0.182	21%	0.206	C	C	.	.	S	Bend	trans	-152.6	178.1	177	0	0	0	0	0	110	A300 A360 I364 L383 N385	A300-A362 WeakPolarHBondContact CB-O 3.42Å; A360-A362 VanDerWaalsContact C-N 3.31Å; A360-A362 PolarHBondContact O-N 3.42Å; A362-I364 PolarHBondContact O-N 3.43Å; A362-L383 HydrophobicContact CB-CB 4.4Å; A362-L383 HydrophobicContact CB-CD1 4.13Å; A362-N385 HydrophobicContact CB-CB 4.46Å; A362-N385 VanDerWaalsContact CB-ND2 3.27Å; A362-N385 WeakPolarHBondContact CB-ND2 3.42Å
363	K	91	Very high	85.7	Confident	107 Å²	107	46.4 Å²	46.4	47%	0.465	25%	0.247	S	C	.	.			trans	-56.6	129	178.3	-65	-176.9	178.9	-176.3	0	111.1	L383 Q384	K363-L383 WeakPolarHBondContact O-CA 3.1Å; K363-Q384 HydrophobicContact CB-CG 4.21Å; K363-Q384 PolarHBondContact O-N 3.4Å
364	I	91.2	Very high	84.7	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	132.9	-178.3	-59.4	168.5	0	0	0	108.5	D299 L302 A360 A362 L381 L383	D299-I364 PolarHBondContact O-N 3.19Å; L302-I364 HydrophobicContact CB-CD1 3.92Å; A360-I364 HydrophobicContact CB-CD1 3.96Å; A360-I364 HydrophobicContact CB-CG1 3.75Å; A362-I364 PolarHBondContact O-N 3.43Å; I364-L381 HydrophobicContact CD1-CD1 4.01Å; I364-L381 HydrophobicContact CD1-CD2 4.4Å; I364-L381 HydrophobicContact CG1-CD1 4.38Å; I364-L381 HydrophobicContact CG2-CD2 4.19Å; I364-L383 HydrophobicContact CB-CD2 4.33Å; I364-L383 HydrophobicContact CG1-CD2 3.79Å
365	R	90.3	Very high	84.2	Confident	80 Å²	80	44.9 Å²	44.9	30%	0.302	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-45.7	172.7	-178.9	62.6	-166.5	137.2	5.6	111.9	Q22 H296 L382 Q384	Q22-R365 VanDerWaalsContact O-CD 3.29Å; Q22-R365 WeakPolarHBondContact O-CD 3.43Å; Q22-R365 VanDerWaalsContact O-CG 3.26Å; Q22-R365 WeakPolarHBondContact O-CG 3.44Å; Q22-R365 PolarHBondContact O-NE 3.03Å; H296-R365 PolarHBondContact CE1-O 2.85Å; H296-R365 VanDerWaalsContact CE1-O 3.26Å; R365-L382 PolarHBondContact N-O 2.87Å; R365-Q384 HydrophobicContact CB-CG 4.12Å
366	W	90.1	Very high	84.3	Confident	48 Å²	48	46.5 Å²	46.5	18%	0.182	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	151.6	177.2	-160.9	-91	0	0	0	110.8	N25 I26 F71 T285 L382	N25-W366 HydrophobicContact CB-CB 4.32Å; N25-W366 HydrophobicContact CB-CD2 3.47Å; N25-W366 VanDerWaalsContact CB-CD2 3.47Å; N25-W366 VanDerWaalsContact CB-CE2 3.49Å; N25-W366 HydrophobicContact CB-CE3 4.12Å; N25-W366 HydrophobicContact CB-CG 3.54Å; N25-W366 HydrophobicContact CB-CZ2 4.14Å; I26-W366 HydrophobicContact CG2-CB 4.12Å; I26-W366 HydrophobicContact CG2-CG 4.3Å; F71-W366 AromaticContact CE2-CH2 3.82Å; F71-W366 HydrophobicContact CE2-CH2 3.82Å; F71-W366 HydrophobicContact CE2-CZ2 4Å; F71-W366 HydrophobicContact CE2-CZ3 4.48Å; F71-W366 HydrophobicContact CZ-CH2 4.26Å; F71-W366 HydrophobicContact CZ-CZ2 4.09Å; T285-W366 HydrophobicContact CG2-CZ2 4.46Å; W366-L382 HydrophobicContact CB-CB 4.48Å; W366-L382 PolarHBondContact N-O 3.24Å; W366-L382 PolarHBondContact O-N 3.39Å
367	A	91	Very high	84.4	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	129.5	177.2	0	0	0	0	0	110.3	T285 L302 A380 L381	T285-A367 VanDerWaalsContact CG2-O 3.24Å; T285-A367 WeakPolarHBondContact CG2-O 3.44Å; T285-A367 PolarHBondContact OG1-O 3.2Å; T285-A367 VanDerWaalsContact OG1-O 3.08Å; L302-A367 HydrophobicContact CD1-CB 3.57Å; A367-A380 WeakPolarHBondContact CA-O 3.35Å; A367-L381 HydrophobicContact CB-CD2 3.39Å
368	D	89.1	Confident	84.5	Confident	32 Å²	32	43.8 Å²	43.8	17%	0.171	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	145.9	171.7	-171.3	29.1	0	0	0	111	I26 A27 Y28 V379 A380	I26-D368 HydrophobicContact CG2-CB 4.32Å; I26-D368 WeakPolarHBondContact O-CB 3.31Å; A27-D368 WeakPolarHBondContact CA-OD2 3.43Å; Y28-D368 HydrophobicContact CD2-CB 4.39Å; Y28-D368 WeakPolarHBondContact CD2-OD2 3.5Å; Y28-D368 PolarHBondContact N-OD2 3.3Å; D368-V379 CarbonylContact O-C 3.51Å; D368-V379 WeakPolarHBondContact O-CA 3.33Å; D368-A380 PolarHBondContact N-O 3.29Å; D368-A380 PolarHBondContact O-N 3.41Å
369	V	88.1	Confident	84.6	Confident	5 Å²	5	43.7 Å²	43.7	3%	0.03	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	129.2	-169.3	-177.7	0	0	0	0	110	A294 L377 V379	A294-V369 HydrophobicContact CB-CG2 3.46Å; A294-V369 VanDerWaalsContact CB-CG2 3.46Å; V369-L377 HydrophobicContact CG1-CD1 3.36Å; V369-L377 HydrophobicContact CG1-CD2 4.12Å; V369-L377 HydrophobicContact CG1-CG 3.84Å; V369-V379 HydrophobicContact CG1-CG2 4.44Å; V369-V379 HydrophobicContact CG2-CG1 4.38Å; V369-V379 HydrophobicContact CG2-CG2 4.26Å
370	L	85.1	Confident	84.7	Confident	31 Å²	31	35.7 Å²	35.7	16%	0.162	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	122.7	-179.9	-172.4	72.2	0	0	0	111.1	Y28 K36 G37 K378	Y28-L370 HydrophobicContact CD1-CD2 4.5Å; Y28-L370 HydrophobicContact CD2-CB 3.72Å; Y28-L370 HydrophobicContact CD2-CD2 4.45Å; Y28-L370 HydrophobicContact CE2-CB 4.1Å; Y28-L370 HydrophobicContact CG-CB 4.21Å; Y28-L370 HydrophobicContact CG-CD2 4.12Å; K36-L370 HydrophobicContact CB-CD2 4.04Å; G37-L370 VanDerWaalsContact N-CD2 3.35Å; L370-K378 PolarHBondContact N-O 2.98Å; L370-K378 PolarHBondContact O-N 2.84Å
371	S	81.8	Confident	84.9	Confident	29 Å²	29	35.3 Å²	35.3	20%	0.203	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	121.1	170.7	-170	0	0	0	0	111	D287	D287-S371 WeakPolarHBondContact OD1-CB 3.45Å; D287-S371 PolarHBondContact OD1-N 3.35Å; D287-S371 WeakPolarHBondContact OD2-CB 3.36Å
372	C	76.1	Confident	85	Confident	18 Å²	18	32.7 Å²	32.7	12%	0.122	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-92.6	159.5	176.9	-67	0	0	0	0	111.4	K36 G374 G375 E376	K36-C372 PolarHBondContact O-SG 3.42Å; K36-C372 VanDerWaalsContact O-SG 3.38Å; C372-G374 PolarHBondContact O-N 2.98Å; C372-G375 PolarHBondContact O-N 2.9Å; C372-E376 PolarHBondContact N-O 3.31Å
373	A	66.1	Low	85.1	Confident	109 Å²	109	31.7 Å²	31.7	90%	0.901	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	127.7	172.6	0	0	0	0	0	109.8
374	G	63.9	Low	85	Confident	78 Å²	78	29.2 Å²	29.2	80%	0.804	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	109.3	1.2	-176	0	0	0	0	0	115.9	C372 E376	C372-G374 PolarHBondContact O-N 2.98Å; G374-E376 VanDerWaalsContact C-N 3.32Å
375	G	70.4	Confident	84.9	Confident	25 Å²	25	30.7 Å²	30.7	26%	0.258	19%	0.192	S	C	.	.	S	Bend	trans	82	10.7	178.2	0	0	0	0	0	114.1	C372 T395	C372-G375 PolarHBondContact O-N 2.9Å; G375-T395 PolarHBondContact O-N 3.49Å; G375-T395 PolarHBondContact O-OG1 2.89Å
376	E	83.6	Confident	84.8	Confident	69 Å²	69	27 Å²	27	32%	0.322	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	122.3	171.4	-70.7	-172.5	170.8	0	0	110.7	C372 G374 L393 K394	C372-E376 PolarHBondContact N-O 3.31Å; G374-E376 VanDerWaalsContact C-N 3.32Å; E376-L393 CarbonylContact C-O 3.59Å; E376-L393 WeakPolarHBondContact CA-O 3.49Å; E376-K394 HydrophobicContact CG-CG 4.04Å; E376-K394 VanDerWaalsContact OE1-CE 3.25Å; E376-K394 WeakPolarHBondContact OE1-CE 3.39Å; E376-K394 IonicContact OE1-NZ 3.96Å
377	L	85.3	Confident	84.9	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	123.7	171.4	-171.1	80.7	0	0	0	108.7	V292 V304 V369 V379 S392 L393 T395	V292-L377 HydrophobicContact CB-CD1 4.05Å; V292-L377 HydrophobicContact CG1-CD1 4.03Å; V292-L377 HydrophobicContact CG1-CD2 3.74Å; V292-L377 HydrophobicContact CG2-CD1 4.09Å; V304-L377 HydrophobicContact CG1-CD2 4.21Å; V369-L377 HydrophobicContact CG1-CD1 3.36Å; V369-L377 HydrophobicContact CG1-CD2 4.12Å; V369-L377 HydrophobicContact CG1-CG 3.84Å; L377-V379 HydrophobicContact CD2-CG2 4.06Å; L377-V379 HydrophobicContact CG-CG2 4.3Å; L377-S392 CarbonylContact O-C 3.6Å; L377-S392 WeakPolarHBondContact O-CA 3.32Å; L377-L393 HydrophobicContact CB-CB 4.09Å; L377-L393 HydrophobicContact CD2-CB 4.39Å; L377-L393 HydrophobicContact CD2-CD1 4.09Å; L377-L393 PolarHBondContact N-O 3.17Å; L377-L393 PolarHBondContact O-N 2.87Å; L377-T395 HydrophobicContact CB-CG2 3.86Å
378	K	88.6	Confident	84.9	Confident	32 Å²	32	24.9 Å²	24.9	14%	0.139	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135.4	171.1	-66.1	-179.4	-175.7	170.6	0	109	K36 G37 L370 Y391	K36-K378 PolarHBondContact O-NZ 3.44Å; G37-K378 WeakPolarHBondContact O-CD 3.31Å; G37-K378 PolarHBondContact O-NZ 3.21Å; L370-K378 PolarHBondContact N-O 2.98Å; L370-K378 PolarHBondContact O-N 2.84Å; K378-Y391 CarbonylContact C-O 3.55Å; K378-Y391 WeakPolarHBondContact CA-O 3.24Å
379	V	90.3	Very high	85	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	125.6	179.9	-178.5	0	0	0	0	108.3	Y28 L302 I358 D368 V369 L377 L381 T390 Y391 L393	Y28-V379 VanDerWaalsContact OH-C 3.3Å; L302-V379 HydrophobicContact CD2-CG1 3.65Å; I358-V379 HydrophobicContact CD1-CB 4.46Å; I358-V379 HydrophobicContact CD1-CG1 4.5Å; I358-V379 HydrophobicContact CD1-CG2 4.28Å; D368-V379 CarbonylContact O-C 3.51Å; D368-V379 WeakPolarHBondContact O-CA 3.33Å; V369-V379 HydrophobicContact CG1-CG2 4.44Å; V369-V379 HydrophobicContact CG2-CG1 4.38Å; V369-V379 HydrophobicContact CG2-CG2 4.26Å; L377-V379 HydrophobicContact CD2-CG2 4.06Å; L377-V379 HydrophobicContact CG-CG2 4.3Å; V379-L381 HydrophobicContact CG1-CD2 3.89Å; V379-L381 HydrophobicContact CG1-CG 4.26Å; V379-T390 CarbonylContact O-C 3.51Å; V379-T390 VanDerWaalsContact O-CA 3.26Å; V379-T390 WeakPolarHBondContact O-CA 3.38Å; V379-Y391 PolarHBondContact N-O 3.48Å; V379-Y391 PolarHBondContact O-N 3.26Å; V379-L393 HydrophobicContact CG2-CD1 4.35Å
380	A	91.1	Very high	85.1	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	129	171.9	0	0	0	0	0	109.6	I26 Y28 V40 A367 D368 T390	I26-A380 HydrophobicContact CD1-CB 4.18Å; I26-A380 HydrophobicContact CG1-CB 4.45Å; Y28-A380 HydrophobicContact CD2-CB 4.32Å; Y28-A380 HydrophobicContact CE1-CB 4.23Å; Y28-A380 HydrophobicContact CE2-CB 3.58Å; Y28-A380 PolarHBondContact OH-N 3.02Å; V40-A380 HydrophobicContact CG1-CB 4.43Å; V40-A380 HydrophobicContact CG2-CB 4.26Å; A367-A380 WeakPolarHBondContact CA-O 3.35Å; D368-A380 PolarHBondContact N-O 3.29Å; D368-A380 PolarHBondContact O-N 3.41Å; A380-T390 HydrophobicContact CB-CG2 4.19Å
381	L	91.9	Very high	85.4	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.2	179	-60.2	-176.3	0	0	0	109.8	L302 A360 I364 A367 V379 L383 V388 E389 Y391	L302-L381 HydrophobicContact CD1-CD2 4.42Å; L302-L381 HydrophobicContact CD2-CD2 4.1Å; A360-L381 HydrophobicContact CB-CD1 3.95Å; I364-L381 HydrophobicContact CD1-CD1 4.01Å; I364-L381 HydrophobicContact CD1-CD2 4.4Å; I364-L381 HydrophobicContact CG1-CD1 4.38Å; I364-L381 HydrophobicContact CG2-CD2 4.19Å; A367-L381 HydrophobicContact CB-CD2 3.39Å; V379-L381 HydrophobicContact CG1-CD2 3.89Å; V379-L381 HydrophobicContact CG1-CG 4.26Å; L381-L383 HydrophobicContact CB-CD2 4.18Å; L381-V388 WeakPolarHBondContact O-CA 3.37Å; L381-E389 HydrophobicContact CB-CB 4.49Å; L381-E389 PolarHBondContact N-O 2.93Å; L381-E389 PolarHBondContact O-N 3.1Å; L381-Y391 HydrophobicContact CD1-CD2 3.92Å; L381-Y391 HydrophobicContact CD1-CE2 3.64Å; L381-Y391 HydrophobicContact CG-CD2 4.32Å; L381-Y391 HydrophobicContact CG-CE2 4.37Å
382	L	91.5	Very high	85.7	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.3	165.4	-179.2	61	0	0	0	108.9	I26 V42 R365 W366 V388	I26-L382 HydrophobicContact CB-CB 3.97Å; I26-L382 HydrophobicContact CD1-CB 4.06Å; I26-L382 HydrophobicContact CG2-CB 3.94Å; V42-L382 HydrophobicContact CG1-CD1 3.96Å; V42-L382 HydrophobicContact CG1-CD2 4.39Å; R365-L382 PolarHBondContact N-O 2.87Å; W366-L382 HydrophobicContact CB-CB 4.48Å; W366-L382 PolarHBondContact N-O 3.24Å; W366-L382 PolarHBondContact O-N 3.39Å; L382-V388 HydrophobicContact CD1-CG2 3.89Å
383	L	91.3	Very high	86.1	Confident	1 Å²	1	21.4 Å²	21.4	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	150.8	-178.8	-53.6	-171.6	0	0	0	111.2	A360 S361 A362 K363 I364 L381 N385 N386 T387 E389	A360-L383 HydrophobicContact CB-CD1 4.35Å; A360-L383 HydrophobicContact CB-CD2 3.79Å; S361-L383 WeakPolarHBondContact OG-CD1 3.41Å; A362-L383 HydrophobicContact CB-CB 4.4Å; A362-L383 HydrophobicContact CB-CD1 4.13Å; K363-L383 WeakPolarHBondContact O-CA 3.1Å; I364-L383 HydrophobicContact CB-CD2 4.33Å; I364-L383 HydrophobicContact CG1-CD2 3.79Å; L381-L383 HydrophobicContact CB-CD2 4.18Å; L383-N385 VanDerWaalsContact CB-OD1 3.28Å; L383-N385 WeakPolarHBondContact CB-OD1 3.37Å; L383-N385 PolarHBondContact O-N 3.24Å; L383-N385 VanDerWaalsContact O-N 3.07Å; L383-N386 PolarHBondContact O-N 3.48Å; L383-T387 WeakPolarHBondContact CB-OG1 3.26Å; L383-T387 WeakPolarHBondContact CD1-OG1 3.37Å; L383-T387 PolarHBondContact N-O 3.43Å; L383-E389 HydrophobicContact CD1-CG 3.8Å; L383-E389 HydrophobicContact CG-CG 4.4Å
384	Q	88.5	Confident	86.8	Confident	54 Å²	54	21.3 Å²	21.3	25%	0.252	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.3	-179.7	-68.2	178.5	1.3	0	0	113.4	Q22 N298 K363 R365 N386 K697	Q22-Q384 WeakPolarHBondContact CG-O 3.18Å; Q22-Q384 PolarHBondContact NE2-O 3.03Å; N298-Q384 PolarHBondContact OD1-NE2 3.27Å; N298-Q384 VanDerWaalsContact OD1-NE2 3.16Å; K363-Q384 HydrophobicContact CB-CG 4.21Å; K363-Q384 PolarHBondContact O-N 3.4Å; R365-Q384 HydrophobicContact CB-CG 4.12Å; Q384-N386 VanDerWaalsContact C-N 3.3Å; Q384-N386 PolarHBondContact O-N 2.95Å; Q384-K697 PolarHBondContact O-NZ 3.46Å
385	N	88.6	Confident	87.3	Confident	32 Å²	32	19.8 Å²	19.8	17%	0.171	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	28.5	179.7	69.1	-8	0	0	0	113.8	A362 L383 T387 R414	A362-N385 HydrophobicContact CB-CB 4.46Å; A362-N385 VanDerWaalsContact CB-ND2 3.27Å; A362-N385 WeakPolarHBondContact CB-ND2 3.42Å; L383-N385 VanDerWaalsContact CB-OD1 3.28Å; L383-N385 WeakPolarHBondContact CB-OD1 3.37Å; L383-N385 PolarHBondContact O-N 3.24Å; L383-N385 VanDerWaalsContact O-N 3.07Å; N385-T387 VanDerWaalsContact C-N 3.34Å; N385-T387 PolarHBondContact O-N 2.92Å; N385-T387 PolarHBondContact OD1-OG1 3.01Å; N385-R414 HydrophobicContact CB-CB 4.47Å; N385-R414 WeakPolarHBondContact O-CA 3.34Å
386	N	89.5	Confident	87.2	Confident	3 Å²	3	23 Å²	23	2%	0.016	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	41.6	175.6	-172	27.8	0	0	0	112.3	G17 I19 G20 L383 Q384 H413 K697	G17-N386 PolarHBondContact O-ND2 3.25Å; G17-N386 VanDerWaalsContact O-ND2 3.08Å; I19-N386 WeakPolarHBondContact CA-OD1 3.48Å; I19-N386 PolarHBondContact N-OD1 3.06Å; G20-N386 PolarHBondContact N-OD1 3.27Å; G20-N386 PolarHBondContact O-OD1 3.37Å; L383-N386 PolarHBondContact O-N 3.48Å; Q384-N386 VanDerWaalsContact C-N 3.3Å; Q384-N386 PolarHBondContact O-N 2.95Å; N386-H413 WeakPolarHBondContact CB-O 3.34Å; N386-H413 PolarHBondContact ND2-O 2.82Å; N386-K697 HydrophobicContact CB-CD 3.8Å
387	T	90.4	Very high	86.6	Confident	2 Å²	2	23.8 Å²	23.8	1%	0.012	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	148.7	176.1	64.2	0	0	0	0	110.7	L383 N385 T409	L383-T387 WeakPolarHBondContact CB-OG1 3.26Å; L383-T387 WeakPolarHBondContact CD1-OG1 3.37Å; L383-T387 PolarHBondContact N-O 3.43Å; N385-T387 VanDerWaalsContact C-N 3.34Å; N385-T387 PolarHBondContact O-N 2.92Å; N385-T387 PolarHBondContact OD1-OG1 3.01Å; T387-T409 HydrophobicContact CG2-CG2 4.03Å
388	V	91.7	Very high	85.4	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127.7	175.5	174.5	0	0	0	0	108.4	I19 I26 V42 L381 L382 L408	I19-V388 HydrophobicContact CG2-CB 4.46Å; I19-V388 HydrophobicContact CG2-CG2 3.9Å; I26-V388 HydrophobicContact CD1-CB 4.49Å; I26-V388 HydrophobicContact CD1-CG1 3.69Å; I26-V388 HydrophobicContact CD1-CG2 4.03Å; V42-V388 HydrophobicContact CG1-CG2 4.46Å; V42-V388 HydrophobicContact CG2-CG2 4.06Å; L381-V388 WeakPolarHBondContact O-CA 3.37Å; L382-V388 HydrophobicContact CD1-CG2 3.89Å; V388-L408 HydrophobicContact CB-CB 4.2Å; V388-L408 HydrophobicContact CB-CD1 4.07Å; V388-L408 HydrophobicContact CB-CG 4.33Å; V388-L408 HydrophobicContact CG1-CD1 4.26Å; V388-L408 PolarHBondContact O-N 3.32Å
389	E	91.5	Very high	84.3	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	138.8	178	-54.4	-163.1	148.5	0	0	109.6	S361 L381 L383 Y391 K404 R407	S361-E389 WeakPolarHBondContact CB-OE1 3.37Å; S361-E389 PolarHBondContact N-OE2 2.79Å; S361-E389 PolarHBondContact OG-OE1 3.47Å; L381-E389 HydrophobicContact CB-CB 4.49Å; L381-E389 PolarHBondContact N-O 2.93Å; L381-E389 PolarHBondContact O-N 3.1Å; L383-E389 HydrophobicContact CD1-CG 3.8Å; L383-E389 HydrophobicContact CG-CG 4.4Å; E389-Y391 HydrophobicContact CB-CE2 3.72Å; E389-Y391 PolarHBondContact OE2-OH 3.07Å; E389-K404 IonicContact OE1-NZ 3.57Å; E389-K404 PolarHBondContact OE1-NZ 2.91Å; E389-K404 IonicContact OE2-NZ 3.59Å; E389-K404 PolarHBondContact OE2-NZ 2.74Å; E389-R407 HydrophobicContact CG-CG 4.23Å; E389-R407 IonicContact OE1-NE 2.78Å
390	T	90.8	Very high	83.3	Confident	4 Å²	4	39 Å²	39	3%	0.025	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	141.4	173.4	54.9	0	0	0	0	110.6	V53 V379 A380 T405 A406	V53-T390 HydrophobicContact CB-CG2 4.5Å; V53-T390 HydrophobicContact CG1-CG2 3.57Å; V53-T390 WeakPolarHBondContact CG1-OG1 3.42Å; V53-T390 HydrophobicContact CG2-CG2 4.06Å; V379-T390 CarbonylContact O-C 3.51Å; V379-T390 VanDerWaalsContact O-CA 3.26Å; V379-T390 WeakPolarHBondContact O-CA 3.38Å; A380-T390 HydrophobicContact CB-CG2 4.19Å; T390-T405 VanDerWaalsContact CB-OG1 3.31Å; T390-T405 WeakPolarHBondContact CB-OG1 3.17Å; T390-T405 PolarHBondContact O-N 3.13Å; T390-T405 PolarHBondContact O-OG1 2.78Å; T390-T405 PolarHBondContact OG1-OG1 3.18Å; T390-A406 PolarHBondContact N-O 3.32Å; T390-A406 WeakPolarHBondContact OG1-CB 3.49Å; T390-A406 PolarHBondContact OG1-N 2.95Å
391	Y	90.2	Very high	82.5	Confident	13 Å²	13	42.6 Å²	42.6	5%	0.051	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145	179.1	-65.6	-94.4	0	0	0	109.5	I358 K378 V379 L381 E389 A402 N403 K404	I358-Y391 HydrophobicContact CG2-CD1 3.65Å; I358-Y391 HydrophobicContact CG2-CD2 3.98Å; I358-Y391 HydrophobicContact CG2-CE1 3.71Å; I358-Y391 HydrophobicContact CG2-CE2 4.07Å; I358-Y391 HydrophobicContact CG2-CG 3.8Å; K378-Y391 CarbonylContact C-O 3.55Å; K378-Y391 WeakPolarHBondContact CA-O 3.24Å; V379-Y391 PolarHBondContact N-O 3.48Å; V379-Y391 PolarHBondContact O-N 3.26Å; L381-Y391 HydrophobicContact CD1-CD2 3.92Å; L381-Y391 HydrophobicContact CD1-CE2 3.64Å; L381-Y391 HydrophobicContact CG-CD2 4.32Å; L381-Y391 HydrophobicContact CG-CE2 4.37Å; E389-Y391 HydrophobicContact CB-CE2 3.72Å; E389-Y391 PolarHBondContact OE2-OH 3.07Å; Y391-A402 HydrophobicContact CD1-CB 4.29Å; Y391-N403 CarbonylContact C-O 3.53Å; Y391-N403 VanDerWaalsContact CA-O 3.3Å; Y391-N403 WeakPolarHBondContact CA-O 3.46Å; Y391-K404 HydrophobicContact CD1-CB 4.08Å; Y391-K404 HydrophobicContact CE1-CB 3.78Å; Y391-K404 HydrophobicContact CE1-CD 4.31Å; Y391-K404 HydrophobicContact CE1-CG 4Å
392	S	88.3	Confident	81.9	Confident	22 Å²	22	44.2 Å²	44.2	15%	0.154	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136	172.2	178.5	0	0	0	0	109.7	L377 N403	L377-S392 CarbonylContact O-C 3.6Å; L377-S392 WeakPolarHBondContact O-CA 3.32Å; S392-N403 PolarHBondContact N-O 3.44Å; S392-N403 PolarHBondContact O-N 3.37Å
393	L	84.9	Confident	81.5	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.016	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	135.2	-174.9	-81.5	158.8	0	0	0	108.9	I358 E376 L377 V379 P400 A402	I358-L393 HydrophobicContact CD1-CD1 3.58Å; I358-L393 HydrophobicContact CG1-CD1 4.29Å; E376-L393 CarbonylContact C-O 3.59Å; E376-L393 WeakPolarHBondContact CA-O 3.49Å; L377-L393 HydrophobicContact CB-CB 4.09Å; L377-L393 HydrophobicContact CD2-CB 4.39Å; L377-L393 HydrophobicContact CD2-CD1 4.09Å; L377-L393 PolarHBondContact N-O 3.17Å; L377-L393 PolarHBondContact O-N 2.87Å; V379-L393 HydrophobicContact CG2-CD1 4.35Å; L393-P400 HydrophobicContact CD2-CB 4.06Å; L393-P400 HydrophobicContact CD2-CG 4.47Å; L393-P400 WeakPolarHBondContact CD2-O 3.44Å; L393-A402 HydrophobicContact CD1-CB 4.43Å; L393-A402 VanDerWaalsContact CD2-CA 3.45Å; L393-A402 HydrophobicContact CD2-CB 3.75Å; L393-A402 HydrophobicContact CG-CB 4.08Å
394	K	81.4	Confident	81.2	Confident	107 Å²	107	53.9 Å²	53.9	47%	0.465	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	111.5	173.4	-73.5	-177.5	178.7	-175.3	0	110.2	E376 S396 D397 P400	E376-K394 HydrophobicContact CG-CG 4.04Å; E376-K394 VanDerWaalsContact OE1-CE 3.25Å; E376-K394 WeakPolarHBondContact OE1-CE 3.39Å; E376-K394 IonicContact OE1-NZ 3.96Å; K394-S396 PolarHBondContact O-N 3.44Å; K394-D397 PolarHBondContact O-N 3.03Å; K394-P400 VanDerWaalsContact O-CB 3.24Å; K394-P400 WeakPolarHBondContact O-CB 3.31Å
395	T	72.8	Confident	80.9	Confident	46 Å²	46	55.3 Å²	55.3	28%	0.282	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-13.1	-175.7	56.7	0	0	0	0	114.2	V292 G375 L377 D397	V292-T395 HydrophobicContact CG2-CG2 4.31Å; G375-T395 PolarHBondContact O-N 3.49Å; G375-T395 PolarHBondContact O-OG1 2.89Å; L377-T395 HydrophobicContact CB-CG2 3.86Å; T395-D397 VanDerWaalsContact C-N 3.34Å
396	S	68.3	Low	80.7	Confident	94 Å²	94	54.8 Å²	54.8	66%	0.657	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-23.8	178.1	54.5	0	0	0	0	114.1	K394	K394-S396 PolarHBondContact O-N 3.44Å
397	D	71.8	Confident	80.6	Confident	84 Å²	84	59.4 Å²	59.4	45%	0.449	32%	0.322	S	S	.	.	S	Bend	trans	-84.2	142.9	-171.6	-64.4	-11.6	0	0	0	110.6	K394 T395 N399 P400	K394-D397 PolarHBondContact O-N 3.03Å; T395-D397 VanDerWaalsContact C-N 3.34Å; D397-N399 VanDerWaalsContact C-N 3.26Å; D397-N399 PolarHBondContact O-N 2.9Å; D397-P400 HydrophobicContact CB-CB 4.44Å
398	K	59.6	Low	80.4	Confident	206 Å²	206	59.9 Å²	59.9	90%	0.896	33%	0.325	S	S	*	.	S	Bend	trans	-63.9	-30.7	-178.6	-75.5	-179.5	-179.2	169.4	0	113.2
399	N	65.1	Low	80.1	Confident	145 Å²	145	61.7 Å²	61.7	78%	0.775	34%	0.336	S	S	*	.	S	Bend	trans	-134.4	83.8	174.9	-71.1	-0.7	0	0	0	108.7	D397 A401	D397-N399 VanDerWaalsContact C-N 3.26Å; D397-N399 PolarHBondContact O-N 2.9Å; N399-A401 PolarHBondContact O-N 3.22Å
400	P	70.9	Confident	79.5	Confident	2 Å²	2	67.6 Å²	67.6	1%	0.013	37%	0.367	C	S	.	.			trans	-76	114.2	-172.4	28.9	-32.7	0	0	0	111.7	L355 T356 L393 K394 D397	L355-P400 HydrophobicContact CB-CG 4.35Å; L355-P400 HydrophobicContact CD2-CG 4.31Å; T356-P400 HydrophobicContact CG2-CG 4.05Å; T356-P400 WeakPolarHBondContact CG2-O 3.28Å; L393-P400 HydrophobicContact CD2-CB 4.06Å; L393-P400 HydrophobicContact CD2-CG 4.47Å; L393-P400 WeakPolarHBondContact CD2-O 3.44Å; K394-P400 VanDerWaalsContact O-CB 3.24Å; K394-P400 WeakPolarHBondContact O-CB 3.31Å; D397-P400 HydrophobicContact CB-CB 4.44Å
401	A	73.8	Confident	79	Confident	74 Å²	74	68.2 Å²	68.2	61%	0.612	37%	0.374	S	S	*	.			trans	-73.2	131.9	174.3	0	0	0	0	0	110.9	N399 N403	N399-A401 PolarHBondContact O-N 3.22Å; A401-N403 PolarHBondContact O-N 2.93Å
402	A	78.4	Confident	78.7	Confident	35 Å²	35	67.8 Å²	67.8	29%	0.289	37%	0.374	S	S	.	.			trans	-77.3	110.7	177.4	0	0	0	0	0	110.6	I358 Y391 L393	I358-A402 HydrophobicContact CB-CB 4.49Å; I358-A402 HydrophobicContact CD1-CB 4.21Å; I358-A402 HydrophobicContact CG1-CB 3.86Å; I358-A402 HydrophobicContact CG2-CB 4.2Å; Y391-A402 HydrophobicContact CD1-CB 4.29Å; L393-A402 HydrophobicContact CD1-CB 4.43Å; L393-A402 VanDerWaalsContact CD2-CA 3.45Å; L393-A402 HydrophobicContact CD2-CB 3.75Å; L393-A402 HydrophobicContact CG-CB 4.08Å
403	N	84	Confident	78.8	Confident	109 Å²	109	66.8 Å²	66.8	58%	0.583	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	125.1	176.3	-71.4	-21.5	0	0	0	110	Y391 S392 A401 T405	Y391-N403 CarbonylContact C-O 3.53Å; Y391-N403 VanDerWaalsContact CA-O 3.3Å; Y391-N403 WeakPolarHBondContact CA-O 3.46Å; S392-N403 PolarHBondContact N-O 3.44Å; S392-N403 PolarHBondContact O-N 3.37Å; A401-N403 PolarHBondContact O-N 2.93Å; N403-T405 PolarHBondContact O-N 2.94Å
404	K	83.8	Confident	79	Confident	95 Å²	95	70.8 Å²	70.8	41%	0.413	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	114.6	175.2	-171.4	170.7	-174.5	156.7	0	109.7	E389 Y391	E389-K404 IonicContact OE1-NZ 3.57Å; E389-K404 PolarHBondContact OE1-NZ 2.91Å; E389-K404 IonicContact OE2-NZ 3.59Å; E389-K404 PolarHBondContact OE2-NZ 2.74Å; Y391-K404 HydrophobicContact CD1-CB 4.08Å; Y391-K404 HydrophobicContact CE1-CB 3.78Å; Y391-K404 HydrophobicContact CE1-CD 4.31Å; Y391-K404 HydrophobicContact CE1-CG 4Å
405	T	84	Confident	79.4	Confident	85 Å²	85	67.2 Å²	67.2	52%	0.521	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-44.8	-176.4	44.4	0	0	0	0	112.7	T390 N403	T390-T405 VanDerWaalsContact CB-OG1 3.31Å; T390-T405 WeakPolarHBondContact CB-OG1 3.17Å; T390-T405 PolarHBondContact O-N 3.13Å; T390-T405 PolarHBondContact O-OG1 2.78Å; T390-T405 PolarHBondContact OG1-OG1 3.18Å; N403-T405 PolarHBondContact O-N 2.94Å
406	A	83.8	Confident	80.2	Confident	21 Å²	21	66.3 Å²	66.3	17%	0.174	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	157.3	-179.8	0	0	0	0	0	112.4	V53 T390	V53-A406 HydrophobicContact CG1-CB 3.48Å; V53-A406 VanDerWaalsContact CG1-CB 3.48Å; V53-A406 WeakPolarHBondContact O-CB 3.5Å; T390-A406 PolarHBondContact N-O 3.32Å; T390-A406 WeakPolarHBondContact OG1-CB 3.49Å; T390-A406 PolarHBondContact OG1-N 2.95Å
407	R	87.9	Confident	81.3	Confident	99 Å²	99	61.8 Å²	61.8	37%	0.374	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	110.2	178.4	-167.2	-164.9	-174.7	-178	0.4	110.2	E389 T409	E389-R407 HydrophobicContact CG-CG 4.23Å; E389-R407 IonicContact OE1-NE 2.78Å; R407-T409 HydrophobicContact CG-CG2 3.87Å; R407-T409 PolarHBondContact O-N 2.83Å
408	L	85.9	Confident	82.2	Confident	13 Å²	13	60.1 Å²	60.1	7%	0.068	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	113.4	176.6	-56.3	-178.1	0	0	0	109.6	I19 W51 G56 V388	I19-L408 HydrophobicContact CD1-CB 4.42Å; I19-L408 WeakPolarHBondContact CD1-O 3.22Å; I19-L408 HydrophobicContact CG2-CB 4.06Å; W51-L408 HydrophobicContact CB-CD1 3.77Å; W51-L408 HydrophobicContact CD2-CD1 3.98Å; W51-L408 HydrophobicContact CE3-CD1 4.19Å; W51-L408 HydrophobicContact CG-CD1 3.82Å; G56-L408 VanDerWaalsContact CA-CD2 3.48Å; V388-L408 HydrophobicContact CB-CB 4.2Å; V388-L408 HydrophobicContact CB-CD1 4.07Å; V388-L408 HydrophobicContact CB-CG 4.33Å; V388-L408 HydrophobicContact CG1-CD1 4.26Å; V388-L408 PolarHBondContact O-N 3.32Å
409	T	84.4	Confident	83.8	Confident	38 Å²	38	50.6 Å²	50.6	23%	0.233	28%	0.277	C	S	.	.			trans	-137.3	-24.4	-178.4	51.3	0	0	0	0	114.3	T387 R407 G411 K438	T387-T409 HydrophobicContact CG2-CG2 4.03Å; R407-T409 HydrophobicContact CG-CG2 3.87Å; R407-T409 PolarHBondContact O-N 2.83Å; T409-G411 VanDerWaalsContact C-N 3.31Å; T409-G411 PolarHBondContact O-N 3.37Å; T409-K438 PolarHBondContact O-NZ 2.76Å
410	L	80.4	Confident	85.2	Confident	125 Å²	125	44.3 Å²	44.3	65%	0.654	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-36.1	-175.4	-68.7	169.6	0	0	0	111.7	G412 K438 V447	L410-G412 VanDerWaalsContact C-N 3.29Å; L410-G412 PolarHBondContact O-N 3.08Å; L410-G412 VanDerWaalsContact O-N 3.17Å; L410-K438 PolarHBondContact O-NZ 3.4Å; L410-V447 VanDerWaalsContact O-CG2 3.24Å; L410-V447 WeakPolarHBondContact O-CG2 3.39Å
411	G	78.3	Confident	86.2	Confident	17 Å²	17	44.9 Å²	44.9	18%	0.175	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-1.8	-174.3	0	0	0	0	0	117.7	G17 T409	G17-G411 CarbonylContact C-O 3.54Å; G17-G411 WeakPolarHBondContact CA-O 3.19Å; T409-G411 VanDerWaalsContact C-N 3.31Å; T409-G411 PolarHBondContact O-N 3.37Å
412	G	85.4	Confident	87.2	Confident	4 Å²	4	42.3 Å²	42.3	4%	0.041	22%	0.223	C	C	.	.	S	Bend	trans	-165.2	163.6	-176.6	0	0	0	0	0	117.3	G17 L410 K438	G17-G412 WeakPolarHBondContact O-CA 3.27Å; L410-G412 VanDerWaalsContact C-N 3.29Å; L410-G412 PolarHBondContact O-N 3.08Å; L410-G412 VanDerWaalsContact O-N 3.17Å; G412-K438 PolarHBondContact O-NZ 3.39Å
413	H	90.3	Very high	87.8	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.21	C	C	.	.			trans	-80.1	151.1	172	-75.3	-86	0	0	0	111	G17 N386 T415 V417 S431 S433 T436	G17-H413 PolarHBondContact O-N 2.91Å; N386-H413 WeakPolarHBondContact CB-O 3.34Å; N386-H413 PolarHBondContact ND2-O 2.82Å; H413-T415 WeakPolarHBondContact CB-O 3.47Å; H413-V417 HydrophobicContact CB-CG2 3.92Å; H413-V417 VanDerWaalsContact CD2-CG2 3.43Å; H413-V417 WeakPolarHBondContact CD2-CG2 3.46Å; H413-S431 PolarHBondContact CE1-O 2.77Å; H413-S431 PolarHBondContact NE2-OG 2.65Å; H413-S433 WeakPolarHBondContact ND1-CB 3.36Å; H413-S433 PolarHBondContact ND1-OG 2.79Å; H413-T436 PolarHBondContact CE1-O 2.59Å; H413-T436 PolarHBondContact ND1-O 3.15Å; H413-T436 PolarHBondContact ND1-OG1 2.94Å
414	R	88.3	Confident	88.1	Confident	86 Å²	86	39 Å²	39	33%	0.325	21%	0.207	S	C	.	.	S	Bend	trans	-84.9	-41.8	-178.9	-64.6	-176.1	-174.4	166	7.2	112.5	N385 K697	N385-R414 HydrophobicContact CB-CB 4.47Å; N385-R414 WeakPolarHBondContact O-CA 3.34Å; R414-K697 WeakPolarHBondContact O-CE 3.41Å; R414-K697 PolarHBondContact O-NZ 2.75Å
415	T	89.4	Confident	88.3	Confident	33 Å²	33	38.5 Å²	38.5	20%	0.202	21%	0.208	C	C	.	.	S	Bend	trans	-98.4	175.7	172	66.3	0	0	0	0	109.6	H413 S433 G434	H413-T415 WeakPolarHBondContact CB-O 3.47Å; T415-S433 VanDerWaalsContact OG1-CB 3.29Å; T415-S433 WeakPolarHBondContact OG1-CB 3.4Å; T415-S433 PolarHBondContact OG1-OG 3.28Å; T415-G434 PolarHBondContact OG1-N 3.19Å
416	D	89.4	Confident	88.5	Confident	26 Å²	26	35 Å²	35	14%	0.139	19%	0.186	C	C	.	.			trans	-56.7	144.7	165.3	56.1	-40.2	0	0	0	111.4	R418 S433	D416-R418 VanDerWaalsContact OD2-CD 3.29Å; D416-R418 WeakPolarHBondContact OD2-CD 3.33Å; D416-R418 IonicContact OD2-CZ 3.93Å; D416-R418 IonicContact OD2-NH1 3.86Å; D416-R418 PolarHBondContact OD2-NH1 3.2Å; D416-R418 VanDerWaalsContact OD2-NH1 3.12Å; D416-S433 WeakPolarHBondContact O-CB 3.19Å
417	V	92.4	Very high	88.8	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	123.6	174.8	177.5	0	0	0	0	107.2	H413 T419 L420 A432 L699	H413-V417 HydrophobicContact CB-CG2 3.92Å; H413-V417 VanDerWaalsContact CD2-CG2 3.43Å; H413-V417 WeakPolarHBondContact CD2-CG2 3.46Å; V417-T419 WeakPolarHBondContact CG1-O 3.3Å; V417-L420 HydrophobicContact CG1-CD2 4.21Å; V417-L420 HydrophobicContact CG1-CG 4.49Å; V417-A432 WeakPolarHBondContact CG1-O 3.26Å; V417-L699 HydrophobicContact CB-CD2 4.36Å; V417-L699 HydrophobicContact CG1-CD2 4.17Å; V417-L699 HydrophobicContact CG2-CD2 4.22Å
418	R	91.8	Very high	89	Confident	48 Å²	48	34 Å²	34	18%	0.181	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-27	-177.5	-57.7	-61.3	-80.4	178.8	0.7	111.9	D416 A432 Y455 A456 W679 C680	D416-R418 VanDerWaalsContact OD2-CD 3.29Å; D416-R418 WeakPolarHBondContact OD2-CD 3.33Å; D416-R418 IonicContact OD2-CZ 3.93Å; D416-R418 IonicContact OD2-NH1 3.86Å; D416-R418 PolarHBondContact OD2-NH1 3.2Å; D416-R418 VanDerWaalsContact OD2-NH1 3.12Å; R418-A432 PolarHBondContact N-O 2.63Å; R418-Y455 HydrophobicContact CG-CE1 4.32Å; R418-A456 WeakPolarHBondContact CB-O 3.41Å; R418-W679 VanDerWaalsContact NH1-CD2 3.3Å; R418-W679 VanDerWaalsContact NH1-CE3 3.35Å; R418-W679 VanDerWaalsContact NH1-CZ2 3.31Å; R418-C680 WeakPolarHBondContact O-CB 3.46Å
419	T	92.4	Very high	89.4	Confident	7 Å²	7	33.5 Å²	33.5	4%	0.043	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	150	-171	72.4	0	0	0	0	112.4	V417 S431 A432 L457 S459	V417-T419 WeakPolarHBondContact CG1-O 3.3Å; T419-S431 WeakPolarHBondContact O-CA 3.43Å; T419-A432 PolarHBondContact N-O 2.76Å; T419-A432 PolarHBondContact O-N 2.98Å; T419-A432 VanDerWaalsContact O-N 3.1Å; T419-A432 WeakPolarHBondContact OG1-CB 3.19Å; T419-L457 WeakPolarHBondContact CG2-O 3.42Å; T419-S459 VanDerWaalsContact CB-OG 3.28Å; T419-S459 WeakPolarHBondContact CB-OG 3.46Å; T419-S459 WeakPolarHBondContact OG1-CB 3.48Å; T419-S459 PolarHBondContact OG1-OG 2.86Å
420	L	94.3	Very high	89.8	Confident	12 Å²	12	31.7 Å²	31.7	6%	0.063	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145.5	174.1	-68.4	170.8	0	0	0	110	V417 V429 L430 C680 A682 V691 L699	V417-L420 HydrophobicContact CG1-CD2 4.21Å; V417-L420 HydrophobicContact CG1-CG 4.49Å; L420-V429 HydrophobicContact CD2-CG1 4.43Å; L420-L430 VanDerWaalsContact CA-O 3.31Å; L420-L430 WeakPolarHBondContact CA-O 3.35Å; L420-C680 PolarHBondContact N-SG 2.93Å; L420-C680 VanDerWaalsContact N-SG 3.42Å; L420-A682 HydrophobicContact CB-CB 3.77Å; L420-V691 HydrophobicContact CD1-CB 4.43Å; L420-V691 HydrophobicContact CD1-CG1 3.78Å; L420-V691 HydrophobicContact CD2-CG1 4.2Å; L420-L699 HydrophobicContact CD1-CD2 4.39Å; L420-L699 HydrophobicContact CD2-CD2 3.79Å
421	A	92.9	Very high	90.5	Very high	14 Å²	14	25.8 Å²	25.8	12%	0.116	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	145.7	168.3	0	0	0	0	0	110.1	L430 F461	A421-L430 HydrophobicContact CB-CB 4.25Å; A421-L430 HydrophobicContact CB-CD2 4.3Å; A421-L430 PolarHBondContact N-O 2.82Å; A421-L430 PolarHBondContact O-N 3.02Å; A421-F461 HydrophobicContact CB-CD2 3.96Å; A421-F461 HydrophobicContact CB-CE2 4.33Å
422	F	93.2	Very high	91.2	Very high	21 Å²	21	25 Å²	25	9%	0.092	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	145.3	169.2	-90.6	-79.5	0	0	0	110.4	V429 F461 A682 I683 H689 V691	F422-V429 HydrophobicContact CD1-CG2 3.91Å; F422-V429 HydrophobicContact CE1-CG2 3.61Å; F422-V429 HydrophobicContact CZ-CG2 4.21Å; F422-F461 VanDerWaalsContact C-CD2 3.48Å; F422-F461 VanDerWaalsContact O-CD2 3.26Å; F422-F461 WeakPolarHBondContact O-CD2 3.4Å; F422-A682 HydrophobicContact CD2-CB 3.83Å; F422-A682 HydrophobicContact CE2-CB 4.27Å; F422-A682 VanDerWaalsContact CE2-O 3.24Å; F422-A682 WeakPolarHBondContact CE2-O 3.34Å; F422-I683 VanDerWaalsContact CD2-C 3.43Å; F422-I683 WeakPolarHBondContact CD2-O 3.27Å; F422-H689 HydrophobicContact CZ-CB 4.15Å; F422-V691 HydrophobicContact CE1-CG2 4.24Å; F422-V691 HydrophobicContact CE2-CB 4.06Å; F422-V691 HydrophobicContact CE2-CG2 3.77Å; F422-V691 HydrophobicContact CZ-CB 4.21Å; F422-V691 HydrophobicContact CZ-CG2 3.4Å; F422-V691 VanDerWaalsContact CZ-CG2 3.4Å
423	S	92.6	Very high	91.4	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.007	13%	0.132	C	C	.	.			trans	-67.6	155	166	60.3	0	0	0	0	110.8	D425 N426 L427 A428	S423-D425 WeakPolarHBondContact CB-OD1 3.44Å; S423-D425 PolarHBondContact O-N 3.32Å; S423-D425 PolarHBondContact OG-OD1 2.78Å; S423-N426 PolarHBondContact O-N 3.15Å; S423-N426 VanDerWaalsContact O-N 3.09Å; S423-N426 PolarHBondContact OG-N 2.94Å; S423-L427 PolarHBondContact OG-N 2.92Å; S423-A428 PolarHBondContact N-O 3.29Å; S423-A428 PolarHBondContact OG-N 3.11Å; S423-A428 PolarHBondContact OG-O 3.03Å; S423-A428 VanDerWaalsContact OG-O 3.08Å
424	S	88.5	Confident	91.2	Very high	73 Å²	73	24.8 Å²	24.8	51%	0.51	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-30.6	178.3	69.6	0	0	0	0	112.7	N426 D465	S424-N426 VanDerWaalsContact C-N 3.31Å; S424-D465 WeakPolarHBondContact CB-OD2 3.33Å; S424-D465 PolarHBondContact N-OD1 3.27Å; S424-D465 PolarHBondContact N-OD2 2.78Å; S424-D465 VanDerWaalsContact OG-CG 3.27Å; S424-D465 PolarHBondContact OG-OD1 2.83Å; S424-D465 PolarHBondContact OG-OD2 2.89Å
425	D	88.1	Confident	91.2	Very high	85 Å²	85	24.4 Å²	24.4	46%	0.455	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-3.2	175.9	70.4	0.3	0	0	0	114.6	S423 L427 D465	S423-D425 WeakPolarHBondContact CB-OD1 3.44Å; S423-D425 PolarHBondContact O-N 3.32Å; S423-D425 PolarHBondContact OG-OD1 2.78Å; D425-L427 HydrophobicContact CB-CG 4.46Å; D425-L427 PolarHBondContact O-N 2.82Å; D425-L427 WeakPolarHBondContact OD1-CB 3.43Å; D425-L427 PolarHBondContact OD1-N 2.89Å; D425-L427 WeakPolarHBondContact OD2-CD1 3.23Å; D425-D465 PolarHBondContact N-OD2 2.91Å
426	N	88.8	Confident	91.3	Very high	10 Å²	10	23.7 Å²	23.7	5%	0.053	13%	0.132	C	C	.	.	S	Bend	trans	58	22.5	-176.4	-166.9	24.3	0	0	0	113.7	S423 S424 R442 S684	S423-N426 PolarHBondContact O-N 3.15Å; S423-N426 VanDerWaalsContact O-N 3.09Å; S423-N426 PolarHBondContact OG-N 2.94Å; S424-N426 VanDerWaalsContact C-N 3.31Å; N426-R442 WeakPolarHBondContact O-CD 3.36Å; N426-R442 PolarHBondContact O-NE 3Å; N426-S684 VanDerWaalsContact OD1-CB 3.31Å; N426-S684 WeakPolarHBondContact OD1-CB 3.46Å
427	L	90.1	Very high	91.5	Very high	90 Å²	90	22.5 Å²	22.5	47%	0.471	13%	0.126	S	C	.	.	S	Bend	trans	-96.3	-31.2	176.3	-66.4	179.6	0	0	0	112.8	S423 D425 N441 R442	S423-L427 PolarHBondContact OG-N 2.92Å; D425-L427 HydrophobicContact CB-CG 4.46Å; D425-L427 PolarHBondContact O-N 2.82Å; D425-L427 WeakPolarHBondContact OD1-CB 3.43Å; D425-L427 PolarHBondContact OD1-N 2.89Å; D425-L427 WeakPolarHBondContact OD2-CD1 3.23Å; L427-N441 PolarHBondContact O-OD1 2.87Å; L427-R442 WeakPolarHBondContact O-CG 3.23Å; L427-R442 PolarHBondContact O-N 3.21Å
428	A	92.3	Very high	91.5	Very high	11 Å²	11	22.8 Å²	22.8	9%	0.091	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	146.2	-174.9	0	0	0	0	0	112.1	S423 V439 W440 F461	S423-A428 PolarHBondContact N-O 3.29Å; S423-A428 PolarHBondContact OG-N 3.11Å; S423-A428 PolarHBondContact OG-O 3.03Å; S423-A428 VanDerWaalsContact OG-O 3.08Å; A428-V439 HydrophobicContact CB-CG1 3.9Å; A428-W440 CarbonylContact C-O 3.59Å; A428-W440 VanDerWaalsContact CA-O 3.25Å; A428-W440 WeakPolarHBondContact CA-O 3.35Å; A428-F461 HydrophobicContact CB-CZ 4.47Å
429	V	93.4	Very high	91.6	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.012	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.1	172.6	-179.9	0	0	0	0	107.8	L420 F422 V439 W440 R442 V691	L420-V429 HydrophobicContact CD2-CG1 4.43Å; F422-V429 HydrophobicContact CD1-CG2 3.91Å; F422-V429 HydrophobicContact CE1-CG2 3.61Å; F422-V429 HydrophobicContact CZ-CG2 4.21Å; V429-V439 CarbonylContact O-C 3.58Å; V429-V439 WeakPolarHBondContact O-CA 3.35Å; V429-W440 HydrophobicContact CB-CB 4.35Å; V429-W440 PolarHBondContact N-O 3.08Å; V429-W440 PolarHBondContact O-N 2.9Å; V429-R442 HydrophobicContact CG2-CB 4.41Å; V429-V691 HydrophobicContact CG1-CB 4.46Å; V429-V691 HydrophobicContact CG1-CG1 4.17Å; V429-V691 HydrophobicContact CG1-CG2 4.26Å; V429-V691 HydrophobicContact CG2-CG2 4.06Å
430	L	93.8	Very high	91.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	133.7	171.6	-176.2	73.3	0	0	0	109.2	L420 A421 V437 V439 F461 I468	L420-L430 VanDerWaalsContact CA-O 3.31Å; L420-L430 WeakPolarHBondContact CA-O 3.35Å; A421-L430 HydrophobicContact CB-CB 4.25Å; A421-L430 HydrophobicContact CB-CD2 4.3Å; A421-L430 PolarHBondContact N-O 2.82Å; A421-L430 PolarHBondContact O-N 3.02Å; L430-V437 HydrophobicContact CD1-CG1 3.37Å; L430-V437 HydrophobicContact CG-CG1 4.19Å; L430-V439 HydrophobicContact CD1-CG2 3.59Å; L430-F461 HydrophobicContact CB-CD2 4.18Å; L430-F461 HydrophobicContact CB-CE1 4.49Å; L430-F461 HydrophobicContact CB-CE2 3.36Å; L430-F461 HydrophobicContact CB-CZ 3.55Å; L430-F461 HydrophobicContact CD1-CZ 4.47Å; L430-F461 HydrophobicContact CD2-CE2 4.47Å; L430-F461 HydrophobicContact CG-CE2 4.45Å; L430-F461 HydrophobicContact CG-CZ 4.47Å; L430-I468 HydrophobicContact CD1-CD1 3.58Å; L430-I468 HydrophobicContact CD1-CG1 4.06Å; L430-I468 HydrophobicContact CD1-CG2 3.89Å; L430-I468 HydrophobicContact CD2-CG1 4.39Å; L430-I468 HydrophobicContact CD2-CG2 3.46Å; L430-I468 VanDerWaalsContact CD2-CG2 3.46Å; L430-I468 HydrophobicContact CG-CG2 4.33Å
431	S	94.2	Very high	91.6	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	130.2	167.7	60.8	0	0	0	0	110.5	H413 T419 V437 K438 W440	H413-S431 PolarHBondContact CE1-O 2.77Å; H413-S431 PolarHBondContact NE2-OG 2.65Å; T419-S431 WeakPolarHBondContact O-CA 3.43Å; S431-V437 CarbonylContact O-C 3.56Å; S431-V437 WeakPolarHBondContact O-CA 3.32Å; S431-K438 PolarHBondContact N-O 2.83Å; S431-K438 PolarHBondContact O-N 2.87Å; S431-K438 PolarHBondContact OG-O 2.78Å; S431-W440 PolarHBondContact OG-NE1 2.77Å
432	A	92.9	Very high	91.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.3	175.6	0	0	0	0	0	111	V417 R418 T419 V437 A456 L470	V417-A432 WeakPolarHBondContact CG1-O 3.26Å; R418-A432 PolarHBondContact N-O 2.63Å; T419-A432 PolarHBondContact N-O 2.76Å; T419-A432 PolarHBondContact O-N 2.98Å; T419-A432 VanDerWaalsContact O-N 3.1Å; T419-A432 WeakPolarHBondContact OG1-CB 3.19Å; A432-V437 HydrophobicContact CB-CB 4.5Å; A432-V437 HydrophobicContact CB-CG2 3.57Å; A432-A456 HydrophobicContact CB-CB 3.68Å; A432-L470 HydrophobicContact CB-CD2 4.2Å
433	S	90.4	Very high	91.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	177.5	172.8	80.7	0	0	0	0	109.6	H413 T415 D416 D435 T436	H413-S433 WeakPolarHBondContact ND1-CB 3.36Å; H413-S433 PolarHBondContact ND1-OG 2.79Å; T415-S433 VanDerWaalsContact OG1-CB 3.29Å; T415-S433 WeakPolarHBondContact OG1-CB 3.4Å; T415-S433 PolarHBondContact OG1-OG 3.28Å; D416-S433 WeakPolarHBondContact O-CB 3.19Å; S433-D435 PolarHBondContact O-N 3.48Å; S433-D435 VanDerWaalsContact O-N 3.11Å; S433-T436 PolarHBondContact N-O 2.87Å; S433-T436 PolarHBondContact OG-O 2.98Å; S433-T436 PolarHBondContact OG-OG1 2.78Å
434	G	86.7	Confident	91.1	Very high	2 Å²	2	31.6 Å²	31.6	2%	0.021	18%	0.18	C	C	.	.	S	Bend	trans	-57.3	-28.2	-176.3	0	0	0	0	0	115.4	T415 E454 Y455	T415-G434 PolarHBondContact OG1-N 3.19Å; G434-E454 CarbonylContact O-C 3.52Å; G434-E454 VanDerWaalsContact O-C 3.24Å; G434-Y455 WeakPolarHBondContact O-CA 3.48Å; G434-Y455 PolarHBondContact O-N 2.88Å; G434-Y455 VanDerWaalsContact O-N 3.12Å
435	D	87.3	Confident	91	Very high	78 Å²	78	30.3 Å²	30.3	42%	0.417	17%	0.167	S	C	.	.	S	Bend	trans	-121.6	-17.4	-175.3	-49.6	-16.8	0	0	0	112.8	S433 C453	S433-D435 PolarHBondContact O-N 3.48Å; S433-D435 VanDerWaalsContact O-N 3.11Å; D435-C453 CarbonylContact C-O 3.57Å; D435-C453 PolarHBondContact O-N 2.91Å; D435-C453 VanDerWaalsContact O-N 3.09Å
436	T	92.4	Very high	91	Very high	17 Å²	17	32.5 Å²	32.5	10%	0.104	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	141.5	-168.2	57.8	0	0	0	0	112	H413 S433 T450 M451 C453	H413-T436 PolarHBondContact CE1-O 2.59Å; H413-T436 PolarHBondContact ND1-O 3.15Å; H413-T436 PolarHBondContact ND1-OG1 2.94Å; S433-T436 PolarHBondContact N-O 2.87Å; S433-T436 PolarHBondContact OG-O 2.98Å; S433-T436 PolarHBondContact OG-OG1 2.78Å; T436-T450 HydrophobicContact CG2-CG2 4.49Å; T436-M451 CarbonylContact C-O 3.58Å; T436-M451 VanDerWaalsContact CA-O 3.22Å; T436-M451 WeakPolarHBondContact CA-O 3.42Å; T436-C453 PolarHBondContact N-SG 2.81Å
437	V	92.9	Very high	91.1	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.012	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.6	167.7	176.7	0	0	0	0	109.1	L430 S431 A432 T450 M451 C453 L470	L430-V437 HydrophobicContact CD1-CG1 3.37Å; L430-V437 HydrophobicContact CG-CG1 4.19Å; S431-V437 CarbonylContact O-C 3.56Å; S431-V437 WeakPolarHBondContact O-CA 3.32Å; A432-V437 HydrophobicContact CB-CB 4.5Å; A432-V437 HydrophobicContact CB-CG2 3.57Å; V437-T450 CarbonylContact O-C 3.53Å; V437-T450 WeakPolarHBondContact O-CA 3.5Å; V437-M451 HydrophobicContact CB-CB 4.21Å; V437-M451 PolarHBondContact N-O 3.38Å; V437-M451 PolarHBondContact O-N 3.14Å; V437-C453 HydrophobicContact CG2-CB 4.05Å; V437-C453 WeakPolarHBondContact CG2-SG 3.49Å; V437-L470 HydrophobicContact CB-CD1 4.24Å; V437-L470 HydrophobicContact CG1-CD2 4.38Å; V437-L470 HydrophobicContact CG2-CD1 3.21Å; V437-L470 HydrophobicContact CG2-CD2 3.89Å; V437-L470 HydrophobicContact CG2-CG 4.19Å
438	K	93.2	Very high	91.1	Very high	5 Å²	5	33.3 Å²	33.3	2%	0.022	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.7	179.4	-69.2	-174.9	167.1	-168	0	109.7	T409 L410 G412 S431 W440 V447 R449 T450	T409-K438 PolarHBondContact O-NZ 2.76Å; L410-K438 PolarHBondContact O-NZ 3.4Å; G412-K438 PolarHBondContact O-NZ 3.39Å; S431-K438 PolarHBondContact N-O 2.83Å; S431-K438 PolarHBondContact O-N 2.87Å; S431-K438 PolarHBondContact OG-O 2.78Å; K438-W440 HydrophobicContact CB-CZ2 4.13Å; K438-W440 HydrophobicContact CD-CH2 4.41Å; K438-W440 HydrophobicContact CD-CZ2 3.83Å; K438-V447 HydrophobicContact CB-CG1 4.28Å; K438-V447 HydrophobicContact CD-CG1 4.35Å; K438-V447 HydrophobicContact CD-CG2 4.09Å; K438-V447 HydrophobicContact CG-CG1 4.32Å; K438-R449 WeakPolarHBondContact CA-O 3.37Å; K438-T450 WeakPolarHBondContact CE-OG1 3.37Å; K438-T450 HydrophobicContact CG-CG2 4.08Å
439	V	93.9	Very high	91	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	124.9	171.9	-176.2	0	0	0	0	107.8	A428 V429 L430 V447 I448 R449 I468 L482	A428-V439 HydrophobicContact CB-CG1 3.9Å; V429-V439 CarbonylContact O-C 3.58Å; V429-V439 WeakPolarHBondContact O-CA 3.35Å; L430-V439 HydrophobicContact CD1-CG2 3.59Å; V439-V447 CarbonylContact O-C 3.6Å; V439-I448 HydrophobicContact CG1-CD1 4.29Å; V439-I448 PolarHBondContact O-N 2.87Å; V439-R449 PolarHBondContact N-O 3.1Å; V439-R449 PolarHBondContact O-N 3.41Å; V439-I468 HydrophobicContact CG2-CD1 3.71Å; V439-L482 HydrophobicContact CB-CD1 3.95Å; V439-L482 HydrophobicContact CG1-CD1 3.86Å; V439-L482 HydrophobicContact CG2-CD1 3.55Å
440	W	93.2	Very high	90.9	Very high	5 Å²	5	41.1 Å²	41.1	2%	0.019	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	141.7	-176.8	-52.2	82.5	0	0	0	109	F16 A428 V429 S431 K438 Q446 V447 L699	F16-W440 AromaticContact CD2-CD2 3.74Å; F16-W440 HydrophobicContact CD2-CD2 3.74Å; F16-W440 AromaticContact CD2-CE3 3.53Å; F16-W440 HydrophobicContact CD2-CE3 3.53Å; F16-W440 HydrophobicContact CD2-CG 4.28Å; F16-W440 HydrophobicContact CD2-CH2 4.37Å; F16-W440 AromaticContact CD2-CZ3 3.85Å; F16-W440 HydrophobicContact CD2-CZ3 3.85Å; F16-W440 HydrophobicContact CE2-CB 4.15Å; F16-W440 AromaticContact CE2-CD2 3.7Å; F16-W440 HydrophobicContact CE2-CD2 3.7Å; F16-W440 AromaticContact CE2-CE3 3.96Å; F16-W440 HydrophobicContact CE2-CE3 3.96Å; F16-W440 AromaticContact CE2-CG 3.76Å; F16-W440 HydrophobicContact CE2-CG 3.76Å; A428-W440 CarbonylContact C-O 3.59Å; A428-W440 VanDerWaalsContact CA-O 3.25Å; A428-W440 WeakPolarHBondContact CA-O 3.35Å; V429-W440 HydrophobicContact CB-CB 4.35Å; V429-W440 PolarHBondContact N-O 3.08Å; V429-W440 PolarHBondContact O-N 2.9Å; S431-W440 PolarHBondContact OG-NE1 2.77Å; K438-W440 HydrophobicContact CB-CZ2 4.13Å; K438-W440 HydrophobicContact CD-CH2 4.41Å; K438-W440 HydrophobicContact CD-CZ2 3.83Å; W440-Q446 WeakPolarHBondContact CA-O 3.41Å; W440-V447 HydrophobicContact CD2-CG2 3.89Å; W440-V447 HydrophobicContact CE3-CB 4.48Å; W440-V447 HydrophobicContact CE3-CG2 3.46Å; W440-V447 VanDerWaalsContact CE3-CG2 3.46Å; W440-V447 HydrophobicContact CH2-CG2 3.38Å; W440-V447 HydrophobicContact CZ2-CG2 3.81Å; W440-V447 HydrophobicContact CZ3-CG2 3.2Å; W440-L699 HydrophobicContact CZ2-CD1 4.18Å
441	N	92.9	Very high	90.8	Very high	44 Å²	44	42.1 Å²	42.1	24%	0.235	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	129.5	162.4	-175.1	-13.5	0	0	0	108.1	L427 S443 T444 L445 Q446 I448	L427-N441 PolarHBondContact O-OD1 2.87Å; N441-S443 VanDerWaalsContact C-N 3.3Å; N441-S443 PolarHBondContact O-N 3.46Å; N441-S443 PolarHBondContact OD1-N 2.82Å; N441-S443 VanDerWaalsContact OD1-N 3.14Å; N441-S443 PolarHBondContact OD1-OG 2.81Å; N441-S443 VanDerWaalsContact OD1-OG 3.1Å; N441-T444 WeakPolarHBondContact CB-OG1 3.37Å; N441-L445 WeakPolarHBondContact O-CA 3.3Å; N441-L445 PolarHBondContact O-N 2.84Å; N441-Q446 PolarHBondContact N-O 3.14Å; N441-I448 HydrophobicContact CB-CD1 3.92Å; N441-I448 HydrophobicContact CB-CG1 4.01Å
442	R	89.1	Confident	90.6	Very high	79 Å²	79	46 Å²	46	30%	0.298	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-32.5	-178.9	73.3	156	177.9	113.2	5.3	113.3	N426 L427 V429 L445 H689	N426-R442 WeakPolarHBondContact O-CD 3.36Å; N426-R442 PolarHBondContact O-NE 3Å; L427-R442 WeakPolarHBondContact O-CG 3.23Å; L427-R442 PolarHBondContact O-N 3.21Å; V429-R442 HydrophobicContact CG2-CB 4.41Å; R442-L445 VanDerWaalsContact O-CD2 3.22Å; R442-L445 WeakPolarHBondContact O-CD2 3.47Å; R442-H689 PolarHBondContact NH1-NE2 3.06Å
443	S	89.4	Confident	90.4	Very high	88 Å²	88	46.8 Å²	46.8	62%	0.615	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-40.8	-171.2	60.7	0	0	0	0	111.9	N441	N441-S443 VanDerWaalsContact C-N 3.3Å; N441-S443 PolarHBondContact O-N 3.46Å; N441-S443 PolarHBondContact OD1-N 2.82Å; N441-S443 VanDerWaalsContact OD1-N 3.14Å; N441-S443 PolarHBondContact OD1-OG 2.81Å; N441-S443 VanDerWaalsContact OD1-OG 3.1Å
444	T	88.9	Confident	90.2	Very high	72 Å²	72	50.3 Å²	50.3	44%	0.442	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-15.7	178.8	66.2	0	0	0	0	113	N441 Q446	N441-T444 WeakPolarHBondContact CB-OG1 3.37Å; T444-Q446 PolarHBondContact O-N 3.36Å; T444-Q446 PolarHBondContact OG1-N 2.9Å
445	L	87.6	Confident	90.5	Very high	46 Å²	46	53.9 Å²	53.9	24%	0.241	29%	0.286	C	S	.	.			trans	57.1	18.6	-175.1	-51.6	170.4	0	0	0	113.4	A14 F16 N441 R442 L701	A14-L445 HydrophobicContact CB-CD1 3.27Å; F16-L445 HydrophobicContact CB-CB 4.25Å; F16-L445 HydrophobicContact CD1-CD2 3.78Å; F16-L445 HydrophobicContact CE1-CD2 3.9Å; F16-L445 HydrophobicContact CG-CB 4.34Å; F16-L445 HydrophobicContact CG-CD2 4.27Å; F16-L445 HydrophobicContact CZ-CD2 4.46Å; N441-L445 WeakPolarHBondContact O-CA 3.3Å; N441-L445 PolarHBondContact O-N 2.84Å; R442-L445 VanDerWaalsContact O-CD2 3.22Å; R442-L445 WeakPolarHBondContact O-CD2 3.47Å; L445-L701 HydrophobicContact CD2-CD2 4.44Å
446	Q	88.2	Confident	90.7	Very high	131 Å²	131	50.2 Å²	50.2	61%	0.612	27%	0.266	S	S	*	.			trans	-92.4	149.3	176.5	-67	-176	-7.6	0	0	110.4	W440 N441 T444 I448	W440-Q446 WeakPolarHBondContact CA-O 3.41Å; N441-Q446 PolarHBondContact N-O 3.14Å; T444-Q446 PolarHBondContact O-N 3.36Å; T444-Q446 PolarHBondContact OG1-N 2.9Å; Q446-I448 PolarHBondContact O-N 2.91Å
447	V	90.7	Very high	90.7	Very high	35 Å²	35	50.2 Å²	50.2	21%	0.212	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	121.7	174.4	-178.5	0	0	0	0	109.2	L410 K438 V439 W440 R449 T450	L410-V447 VanDerWaalsContact O-CG2 3.24Å; L410-V447 WeakPolarHBondContact O-CG2 3.39Å; K438-V447 HydrophobicContact CB-CG1 4.28Å; K438-V447 HydrophobicContact CD-CG1 4.35Å; K438-V447 HydrophobicContact CD-CG2 4.09Å; K438-V447 HydrophobicContact CG-CG1 4.32Å; V439-V447 CarbonylContact O-C 3.6Å; W440-V447 HydrophobicContact CD2-CG2 3.89Å; W440-V447 HydrophobicContact CE3-CB 4.48Å; W440-V447 HydrophobicContact CE3-CG2 3.46Å; W440-V447 VanDerWaalsContact CE3-CG2 3.46Å; W440-V447 HydrophobicContact CH2-CG2 3.38Å; W440-V447 HydrophobicContact CZ2-CG2 3.81Å; W440-V447 HydrophobicContact CZ3-CG2 3.2Å; V447-R449 WeakPolarHBondContact CG1-O 3.35Å; V447-T450 WeakPolarHBondContact CG1-OG1 3.34Å
448	I	90.2	Very high	90.6	Very high	81 Å²	81	50.6 Å²	50.6	42%	0.415	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-48	172.9	-49.8	177.2	0	0	0	109.3	V439 N441 Q446	V439-I448 HydrophobicContact CG1-CD1 4.29Å; V439-I448 PolarHBondContact O-N 2.87Å; N441-I448 HydrophobicContact CB-CD1 3.92Å; N441-I448 HydrophobicContact CB-CG1 4.01Å; Q446-I448 PolarHBondContact O-N 2.91Å
449	R	89.1	Confident	90.7	Very high	117 Å²	117	51 Å²	51	44%	0.442	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	145.3	-177	-68	-62.3	-173.6	-138.5	9	111.8	K438 V439 V447 A483	K438-R449 WeakPolarHBondContact CA-O 3.37Å; V439-R449 PolarHBondContact N-O 3.1Å; V439-R449 PolarHBondContact O-N 3.41Å; V447-R449 WeakPolarHBondContact CG1-O 3.35Å; R449-A483 PolarHBondContact NH2-O 2.89Å
450	T	91.9	Very high	90.5	Very high	60 Å²	60	52.4 Å²	52.4	37%	0.368	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.3	170.5	-59.4	0	0	0	0	108.6	T436 V437 K438 V447	T436-T450 HydrophobicContact CG2-CG2 4.49Å; V437-T450 CarbonylContact O-C 3.53Å; V437-T450 WeakPolarHBondContact O-CA 3.5Å; K438-T450 WeakPolarHBondContact CE-OG1 3.37Å; K438-T450 HydrophobicContact CG-CG2 4.08Å; V447-T450 WeakPolarHBondContact CG1-OG1 3.34Å
451	M	91.6	Very high	90.5	Very high	21 Å²	21	53 Å²	53	10%	0.103	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138.1	-178.1	-63.3	-40.7	-55.3	0	0	109.6	T436 V437 F480 G485	T436-M451 CarbonylContact C-O 3.58Å; T436-M451 VanDerWaalsContact CA-O 3.22Å; T436-M451 WeakPolarHBondContact CA-O 3.42Å; V437-M451 HydrophobicContact CB-CB 4.21Å; V437-M451 PolarHBondContact N-O 3.38Å; V437-M451 PolarHBondContact O-N 3.14Å; M451-F480 HydrophobicContact CB-CD1 4.18Å; M451-F480 HydrophobicContact CB-CE1 4.13Å; M451-F480 HydrophobicContact CE-CD1 3.6Å; M451-F480 HydrophobicContact CE-CE1 3.76Å; M451-F480 HydrophobicContact CG-CD1 4.17Å; M451-G485 WeakPolarHBondContact CE-O 3.48Å; M451-G485 VanDerWaalsContact SD-C 3.51Å; M451-G485 WeakPolarHBondContact SD-CA 3.38Å; M451-G485 VanDerWaalsContact SD-O 3.33Å
452	A	90.8	Very high	90.3	Very high	82 Å²	82	51.2 Å²	51.2	68%	0.678	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	130.2	171.7	0	0	0	0	0	109.1	F480	A452-F480 WeakPolarHBondContact O-CZ 3.47Å
453	C	87.6	Confident	90.1	Very high	17 Å²	17	49.8 Å²	49.8	12%	0.115	27%	0.274	C	S	.	.			trans	-134.7	164.4	179.3	65.5	0	0	0	0	110.6	D435 T436 V437 L470 F480	D435-C453 CarbonylContact C-O 3.57Å; D435-C453 PolarHBondContact O-N 2.91Å; D435-C453 VanDerWaalsContact O-N 3.09Å; T436-C453 PolarHBondContact N-SG 2.81Å; V437-C453 HydrophobicContact CG2-CB 4.05Å; V437-C453 WeakPolarHBondContact CG2-SG 3.49Å; C453-L470 HydrophobicContact CB-CD1 3.79Å; C453-F480 HydrophobicContact CB-CE2 4.39Å; C453-F480 HydrophobicContact CB-CZ 4.28Å
454	E	87.8	Confident	89.8	Confident	74 Å²	74	48.2 Å²	48.2	35%	0.346	27%	0.271	S	S	.	.	S	Bend	trans	-72.9	176.2	161.7	-66	-177.6	-165	0	0	109.5	G434 A456 T472 S474 K476	G434-E454 CarbonylContact O-C 3.52Å; G434-E454 VanDerWaalsContact O-C 3.24Å; E454-A456 PolarHBondContact O-N 2.94Å; E454-T472 HydrophobicContact CB-CG2 3.98Å; E454-S474 PolarHBondContact OE2-OG 2.86Å; E454-K476 IonicContact OE1-NZ 3.88Å; E454-K476 PolarHBondContact OE1-NZ 2.84Å; E454-K476 VanDerWaalsContact OE1-NZ 3.12Å; E454-K476 IonicContact OE2-NZ 3.13Å
455	Y	91.6	Very high	89.6	Confident	77 Å²	77	45.9 Å²	45.9	30%	0.302	26%	0.256	S	S	.	.			trans	-56.7	98.7	-176.2	-163	-78.5	0	0	0	112.8	R418 G434 L457 T472 K473	R418-Y455 HydrophobicContact CG-CE1 4.32Å; G434-Y455 WeakPolarHBondContact O-CA 3.48Å; G434-Y455 PolarHBondContact O-N 2.88Å; G434-Y455 VanDerWaalsContact O-N 3.12Å; Y455-L457 HydrophobicContact CD1-CD2 4.05Å; Y455-L457 HydrophobicContact CD1-CG 4.25Å; Y455-L457 HydrophobicContact CE1-CD2 3.68Å; Y455-L457 HydrophobicContact CE1-CG 4.38Å; Y455-T472 CarbonylContact O-C 3.54Å; Y455-T472 VanDerWaalsContact O-CA 3.23Å; Y455-T472 WeakPolarHBondContact O-CA 3.49Å; Y455-K473 HydrophobicContact CD1-CB 3.86Å; Y455-K473 HydrophobicContact CD1-CD 4.1Å; Y455-K473 HydrophobicContact CE1-CD 4.48Å; Y455-K473 HydrophobicContact CG-CB 4.33Å; Y455-K473 HydrophobicContact CG-CD 4.48Å; Y455-K473 PolarHBondContact O-N 3.01Å
456	A	92.3	Very high	89.6	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	130.3	-176.4	0	0	0	0	0	111.2	R418 A432 E454	R418-A456 WeakPolarHBondContact CB-O 3.41Å; A432-A456 HydrophobicContact CB-CB 3.68Å; E454-A456 PolarHBondContact O-N 2.94Å
457	L	92.1	Very high	89.7	Confident	17 Å²	17	48 Å²	48	9%	0.089	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	-28.4	-179.9	-74.2	177.1	0	0	0	113.3	T419 Y455 G471 K473 A497 V498 W499	T419-L457 WeakPolarHBondContact CG2-O 3.42Å; Y455-L457 HydrophobicContact CD1-CD2 4.05Å; Y455-L457 HydrophobicContact CD1-CG 4.25Å; Y455-L457 HydrophobicContact CE1-CD2 3.68Å; Y455-L457 HydrophobicContact CE1-CG 4.38Å; L457-G471 PolarHBondContact N-O 2.84Å; L457-K473 HydrophobicContact CD1-CB 3.9Å; L457-K473 HydrophobicContact CD1-CG 4.26Å; L457-K473 HydrophobicContact CG-CB 4.24Å; L457-A497 HydrophobicContact CD1-CB 3.72Å; L457-V498 VanDerWaalsContact CB-O 3.25Å; L457-V498 WeakPolarHBondContact CB-O 3.25Å; L457-W499 HydrophobicContact CD1-CD2 4.46Å; L457-W499 HydrophobicContact CD1-CE3 4.11Å; L457-W499 HydrophobicContact CD1-CZ3 4.22Å; L457-W499 HydrophobicContact CD2-CE3 4.38Å; L457-W499 HydrophobicContact CD2-CZ3 3.99Å
458	C	91.6	Very high	89.7	Confident	10 Å²	10	46.5 Å²	46.5	7%	0.068	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	147.1	174.9	45.9	0	0	0	0	109.3	L470 G471 V498 L501	C458-L470 WeakPolarHBondContact O-CA 3.34Å; C458-G471 PolarHBondContact N-O 3.4Å; C458-G471 PolarHBondContact O-N 2.76Å; C458-G471 VanDerWaalsContact SG-CA 3.54Å; C458-V498 PolarHBondContact SG-O 3.05Å; C458-V498 VanDerWaalsContact SG-O 3.34Å; C458-L501 HydrophobicContact CB-CB 4.12Å; C458-L501 HydrophobicContact CB-CD1 4.17Å; C458-L501 HydrophobicContact CB-CG 4.16Å; C458-L501 WeakPolarHBondContact SG-CD1 3.43Å; C458-L501 WeakPolarHBondContact SG-CG 3.44Å
459	S	93.6	Very high	89.9	Confident	15 Å²	15	42.7 Å²	42.7	11%	0.105	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	146.3	-179	67.9	0	0	0	0	110.9	T419 I469	T419-S459 VanDerWaalsContact CB-OG 3.28Å; T419-S459 WeakPolarHBondContact CB-OG 3.46Å; T419-S459 WeakPolarHBondContact OG1-CB 3.48Å; T419-S459 PolarHBondContact OG1-OG 2.86Å; S459-I469 WeakPolarHBondContact CA-O 3.33Å
460	L	91.6	Very high	90	Very high	30 Å²	30	37.1 Å²	37.1	16%	0.157	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	142.6	-178.5	171.3	126.5	0	0	0	111.2	I469 V503 I510	L460-I469 PolarHBondContact N-O 2.77Å; L460-I469 PolarHBondContact O-N 2.9Å; L460-V503 HydrophobicContact CD1-CB 4Å; L460-V503 HydrophobicContact CD1-CG2 3.38Å; L460-V503 HydrophobicContact CD2-CG2 3.16Å; L460-V503 HydrophobicContact CG-CG2 3.73Å; L460-I510 HydrophobicContact CD2-CG2 4.28Å
461	F	92.4	Very high	90.1	Very high	16 Å²	16	34.3 Å²	34.3	7%	0.07	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	133	165.9	-77.7	-76.2	0	0	0	110.9	A421 F422 A428 L430 I468	A421-F461 HydrophobicContact CB-CD2 3.96Å; A421-F461 HydrophobicContact CB-CE2 4.33Å; F422-F461 VanDerWaalsContact C-CD2 3.48Å; F422-F461 VanDerWaalsContact O-CD2 3.26Å; F422-F461 WeakPolarHBondContact O-CD2 3.4Å; A428-F461 HydrophobicContact CB-CZ 4.47Å; L430-F461 HydrophobicContact CB-CD2 4.18Å; L430-F461 HydrophobicContact CB-CE1 4.49Å; L430-F461 HydrophobicContact CB-CE2 3.36Å; L430-F461 HydrophobicContact CB-CZ 3.55Å; L430-F461 HydrophobicContact CD1-CZ 4.47Å; L430-F461 HydrophobicContact CD2-CE2 4.47Å; L430-F461 HydrophobicContact CG-CE2 4.45Å; L430-F461 HydrophobicContact CG-CZ 4.47Å; F461-I468 HydrophobicContact CD1-CG1 3.75Å; F461-I468 HydrophobicContact CE1-CD1 4.03Å; F461-I468 HydrophobicContact CE1-CG1 3.72Å
462	V	89.3	Confident	90.2	Very high	8 Å²	8	33.3 Å²	33.3	5%	0.048	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-71.4	142.5	168.8	179.5	0	0	0	0	108.3	G464 D465 Q467 I469 F524 L538	V462-G464 PolarHBondContact O-N 2.96Å; V462-D465 PolarHBondContact O-N 2.96Å; V462-Q467 HydrophobicContact CB-CB 4.08Å; V462-Q467 WeakPolarHBondContact CB-O 3.37Å; V462-Q467 HydrophobicContact CG2-CB 3.93Å; V462-Q467 PolarHBondContact N-O 3.2Å; V462-I469 HydrophobicContact CG2-CD1 3.54Å; V462-I469 HydrophobicContact CG2-CG1 3.63Å; V462-F524 HydrophobicContact CG1-CE1 4.38Å; V462-F524 HydrophobicContact CG1-CE2 4.28Å; V462-F524 HydrophobicContact CG1-CZ 4.07Å; V462-F524 HydrophobicContact CG2-CE1 4.39Å; V462-F524 HydrophobicContact CG2-CZ 4.35Å; V462-L538 HydrophobicContact CG1-CD1 4.35Å
463	P	83.9	Confident	90.3	Very high	49 Å²	49	35.5 Å²	35.5	32%	0.318	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	128.3	179.4	-26.7	38.8	0	0	0	111.4	V503 Q507	P463-V503 HydrophobicContact CG-CG1 4.2Å; P463-Q507 HydrophobicContact CB-CB 3.97Å; P463-Q507 HydrophobicContact CB-CG 4.35Å; P463-Q507 HydrophobicContact CG-CB 3.82Å; P463-Q507 HydrophobicContact CG-CG 4.3Å
464	G	82.4	Confident	90.6	Very high	54 Å²	54	37.3 Å²	37.3	56%	0.557	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.8	5.5	-169.9	0	0	0	0	0	114.7	V462 R466	V462-G464 PolarHBondContact O-N 2.96Å; G464-R466 PolarHBondContact O-N 3.05Å
465	D	85.4	Confident	90.7	Very high	23 Å²	23	33.8 Å²	33.8	12%	0.123	17%	0.174	C	C	.	.	S	Bend	trans	55.3	8.5	166.7	-60.4	-34.4	0	0	0	116.7	S424 D425 V462	S424-D465 WeakPolarHBondContact CB-OD2 3.33Å; S424-D465 PolarHBondContact N-OD1 3.27Å; S424-D465 PolarHBondContact N-OD2 2.78Å; S424-D465 VanDerWaalsContact OG-CG 3.27Å; S424-D465 PolarHBondContact OG-OD1 2.83Å; S424-D465 PolarHBondContact OG-OD2 2.89Å; D425-D465 PolarHBondContact N-OD2 2.91Å; V462-D465 PolarHBondContact O-N 2.96Å
466	R	87.3	Confident	90.8	Very high	201 Å²	201	32.8 Å²	32.8	76%	0.758	17%	0.172	S	C	*	.	S	Bend	trans	-75.2	-29.9	179	-74	-178.2	174.3	-177	-2.7	113.1	G464 L482	G464-R466 PolarHBondContact O-N 3.05Å; R466-L482 WeakPolarHBondContact O-CB 3.47Å; R466-L482 PolarHBondContact O-N 3.2Å
467	Q	90.4	Very high	90.8	Very high	22 Å²	22	33 Å²	33	10%	0.103	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	154.1	-172	-71.6	160.7	-9.8	0	0	110.8	V462 F480 L488 L538	V462-Q467 HydrophobicContact CB-CB 4.08Å; V462-Q467 WeakPolarHBondContact CB-O 3.37Å; V462-Q467 HydrophobicContact CG2-CB 3.93Å; V462-Q467 PolarHBondContact N-O 3.2Å; Q467-F480 CarbonylContact C-O 3.56Å; Q467-F480 WeakPolarHBondContact CA-O 3.22Å; Q467-F480 WeakPolarHBondContact CB-O 3.3Å; Q467-L488 HydrophobicContact CG-CD1 4.1Å; Q467-L538 VanDerWaalsContact CD-CB 3.49Å; Q467-L538 VanDerWaalsContact NE2-CB 3.29Å; Q467-L538 VanDerWaalsContact OE1-CD2 3.23Å; Q467-L538 VanDerWaalsContact OE1-CG 3.31Å
468	I	92	Very high	90.9	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.015	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137.8	-179	-66.2	153.5	0	0	0	107.9	L430 V439 F461 L470 I479 F480 L482	L430-I468 HydrophobicContact CD1-CD1 3.58Å; L430-I468 HydrophobicContact CD1-CG1 4.06Å; L430-I468 HydrophobicContact CD1-CG2 3.89Å; L430-I468 HydrophobicContact CD2-CG1 4.39Å; L430-I468 HydrophobicContact CD2-CG2 3.46Å; L430-I468 VanDerWaalsContact CD2-CG2 3.46Å; L430-I468 HydrophobicContact CG-CG2 4.33Å; V439-I468 HydrophobicContact CG2-CD1 3.71Å; F461-I468 HydrophobicContact CD1-CG1 3.75Å; F461-I468 HydrophobicContact CE1-CD1 4.03Å; F461-I468 HydrophobicContact CE1-CG1 3.72Å; I468-L470 HydrophobicContact CG2-CD2 3.9Å; I468-L470 HydrophobicContact CG2-CG 4.37Å; I468-I479 CarbonylContact O-C 3.36Å; I468-I479 WeakPolarHBondContact O-CA 3.36Å; I468-F480 HydrophobicContact CB-CB 4.43Å; I468-F480 PolarHBondContact N-O 3.49Å; I468-F480 PolarHBondContact O-N 2.96Å; I468-L482 HydrophobicContact CD1-CD1 3.82Å
469	I	92.8	Very high	90.9	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.3	174.9	-61.1	177.1	0	0	0	108.8	S459 L460 V462 Q478 I479 L501 I510 F524 V540	S459-I469 WeakPolarHBondContact CA-O 3.33Å; L460-I469 PolarHBondContact N-O 2.77Å; L460-I469 PolarHBondContact O-N 2.9Å; V462-I469 HydrophobicContact CG2-CD1 3.54Å; V462-I469 HydrophobicContact CG2-CG1 3.63Å; I469-Q478 WeakPolarHBondContact CA-O 3.35Å; I469-I479 HydrophobicContact CG1-CG1 4.26Å; I469-I479 HydrophobicContact CG1-CG2 4.33Å; I469-L501 HydrophobicContact CG2-CD1 4.19Å; I469-I510 HydrophobicContact CD1-CD1 4.02Å; I469-I510 HydrophobicContact CD1-CG2 4.45Å; I469-I510 HydrophobicContact CG2-CD1 4.22Å; I469-F524 HydrophobicContact CD1-CE1 3.6Å; I469-F524 HydrophobicContact CD1-CZ 4.19Å; I469-V540 HydrophobicContact CD1-CG2 4.14Å
470	L	92.6	Very high	90.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	136.1	176.8	-53.2	177.7	0	0	0	110.3	A432 V437 C453 C458 I468 L477 Q478 F480	A432-L470 HydrophobicContact CB-CD2 4.2Å; V437-L470 HydrophobicContact CB-CD1 4.24Å; V437-L470 HydrophobicContact CG1-CD2 4.38Å; V437-L470 HydrophobicContact CG2-CD1 3.21Å; V437-L470 HydrophobicContact CG2-CD2 3.89Å; V437-L470 HydrophobicContact CG2-CG 4.19Å; C453-L470 HydrophobicContact CB-CD1 3.79Å; C458-L470 WeakPolarHBondContact O-CA 3.34Å; I468-L470 HydrophobicContact CG2-CD2 3.9Å; I468-L470 HydrophobicContact CG2-CG 4.37Å; L470-L477 CarbonylContact O-C 3.54Å; L470-L477 VanDerWaalsContact O-CA 3.29Å; L470-L477 WeakPolarHBondContact O-CA 3.48Å; L470-Q478 HydrophobicContact CB-CB 4.41Å; L470-Q478 PolarHBondContact N-O 3.16Å; L470-Q478 PolarHBondContact O-N 3.01Å; L470-F480 HydrophobicContact CD1-CD2 3.82Å; L470-F480 HydrophobicContact CD1-CE2 3.48Å; L470-F480 VanDerWaalsContact CD1-CE2 3.48Å; L470-F480 HydrophobicContact CG-CD2 4.22Å; L470-F480 HydrophobicContact CG-CE2 4.27Å
471	G	93.6	Very high	90.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129	166.2	0	0	0	0	0	110.1	L457 C458 L501	L457-G471 PolarHBondContact N-O 2.84Å; C458-G471 PolarHBondContact N-O 3.4Å; C458-G471 PolarHBondContact O-N 2.76Å; C458-G471 VanDerWaalsContact SG-CA 3.54Å; G471-L501 VanDerWaalsContact N-CD1 3.35Å
472	T	93.7	Very high	90.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	159.7	-174.6	61.8	0	0	0	0	111.7	E454 Y455 S474 G475 K476 Q478 V498	E454-T472 HydrophobicContact CB-CG2 3.98Å; Y455-T472 CarbonylContact O-C 3.54Å; Y455-T472 VanDerWaalsContact O-CA 3.23Å; Y455-T472 WeakPolarHBondContact O-CA 3.49Å; T472-S474 PolarHBondContact O-N 2.83Å; T472-S474 PolarHBondContact OG1-OG 2.91Å; T472-G475 PolarHBondContact O-N 2.82Å; T472-K476 PolarHBondContact N-O 3.44Å; T472-K476 WeakPolarHBondContact OG1-CA 3.36Å; T472-K476 WeakPolarHBondContact OG1-CB 3.47Å; T472-K476 PolarHBondContact OG1-N 2.67Å; T472-K476 PolarHBondContact OG1-O 3.08Å; T472-Q478 HydrophobicContact CG2-CG 4.2Å; T472-V498 PolarHBondContact O-N 2.65Å
473	K	93.3	Very high	90.4	Very high	129 Å²	129	37.9 Å²	37.9	56%	0.561	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-24.4	173.1	-173.5	176.2	178.6	-180	0	112.9	Y455 L457 G475 A497	Y455-K473 HydrophobicContact CD1-CB 3.86Å; Y455-K473 HydrophobicContact CD1-CD 4.1Å; Y455-K473 HydrophobicContact CE1-CD 4.48Å; Y455-K473 HydrophobicContact CG-CB 4.33Å; Y455-K473 HydrophobicContact CG-CD 4.48Å; Y455-K473 PolarHBondContact O-N 3.01Å; L457-K473 HydrophobicContact CD1-CB 3.9Å; L457-K473 HydrophobicContact CD1-CG 4.26Å; L457-K473 HydrophobicContact CG-CB 4.24Å; K473-G475 PolarHBondContact O-N 2.8Å; K473-A497 HydrophobicContact CG-CB 4.13Å; K473-A497 VanDerWaalsContact O-CA 3.25Å; K473-A497 WeakPolarHBondContact O-CA 3.42Å; K473-A497 WeakPolarHBondContact O-CB 2.75Å
474	S	92.2	Very high	90.4	Very high	55 Å²	55	38.5 Å²	38.5	39%	0.385	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-5.6	176.2	53.6	0	0	0	0	113.4	E454 T472	E454-S474 PolarHBondContact OE2-OG 2.86Å; T472-S474 PolarHBondContact O-N 2.83Å; T472-S474 PolarHBondContact OG1-OG 2.91Å
475	G	90.8	Very high	90.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	91.7	6.9	-179.2	0	0	0	0	0	114.6	T472 K473 A493 H494 G496	T472-G475 PolarHBondContact O-N 2.82Å; K473-G475 PolarHBondContact O-N 2.8Å; G475-A493 WeakPolarHBondContact O-CB 3.24Å; G475-A493 PolarHBondContact O-N 3.34Å; G475-A493 VanDerWaalsContact O-N 3.15Å; G475-H494 WeakPolarHBondContact CA-O 3.35Å; G475-H494 PolarHBondContact O-N 3.46Å; G475-G496 WeakPolarHBondContact CA-O 3.2Å
476	K	93.5	Very high	90.6	Very high	56 Å²	56	38.2 Å²	38.2	24%	0.243	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	148.5	180	-49.8	-175.4	-176	163.4	0	112.3	E454 T472 T490 V491 D492	E454-K476 IonicContact OE1-NZ 3.88Å; E454-K476 PolarHBondContact OE1-NZ 2.84Å; E454-K476 VanDerWaalsContact OE1-NZ 3.12Å; E454-K476 IonicContact OE2-NZ 3.13Å; T472-K476 PolarHBondContact N-O 3.44Å; T472-K476 WeakPolarHBondContact OG1-CA 3.36Å; T472-K476 WeakPolarHBondContact OG1-CB 3.47Å; T472-K476 PolarHBondContact OG1-N 2.67Å; T472-K476 PolarHBondContact OG1-O 3.08Å; K476-T490 HydrophobicContact CB-CG2 4.1Å; K476-T490 HydrophobicContact CD-CG2 3.71Å; K476-T490 HydrophobicContact CG-CG2 4.47Å; K476-V491 CarbonylContact C-O 3.59Å; K476-V491 VanDerWaalsContact CA-O 3.31Å; K476-V491 WeakPolarHBondContact CA-O 3.37Å; K476-D492 VanDerWaalsContact CD-OD1 3.3Å; K476-D492 WeakPolarHBondContact CD-OD1 3.18Å; K476-D492 VanDerWaalsContact CE-OD1 3.3Å; K476-D492 WeakPolarHBondContact CE-OD1 3.4Å; K476-D492 VanDerWaalsContact CG-OD1 3.28Å; K476-D492 WeakPolarHBondContact CG-OD1 3.38Å
477	L	93.1	Very high	90.6	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.016	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	121.1	165.8	-63.3	174.9	0	0	0	109.4	L470 T490 V491 A493 L501 I510 W522	L470-L477 CarbonylContact O-C 3.54Å; L470-L477 VanDerWaalsContact O-CA 3.29Å; L470-L477 WeakPolarHBondContact O-CA 3.48Å; L477-T490 WeakPolarHBondContact O-CA 3.43Å; L477-V491 HydrophobicContact CB-CB 4.4Å; L477-V491 PolarHBondContact N-O 3.02Å; L477-V491 PolarHBondContact O-N 2.97Å; L477-A493 HydrophobicContact CB-CB 4.46Å; L477-A493 HydrophobicContact CD1-CB 3.7Å; L477-A493 HydrophobicContact CG-CB 3.61Å; L477-L501 HydrophobicContact CD2-CD1 4.04Å; L477-L501 HydrophobicContact CD2-CD2 3.79Å; L477-L501 HydrophobicContact CD2-CG 4.41Å; L477-I510 HydrophobicContact CD1-CD1 4.28Å; L477-W522 HydrophobicContact CD1-CD2 4.28Å; L477-W522 HydrophobicContact CD1-CZ2 4.17Å
478	Q	92.6	Very high	90.4	Very high	11 Å²	11	34.1 Å²	34.1	5%	0.051	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.1	177.1	-69	-176.3	-25.4	0	0	109.8	I469 L470 T472 F480 L487 T490	I469-Q478 WeakPolarHBondContact CA-O 3.35Å; L470-Q478 HydrophobicContact CB-CB 4.41Å; L470-Q478 PolarHBondContact N-O 3.16Å; L470-Q478 PolarHBondContact O-N 3.01Å; T472-Q478 HydrophobicContact CG2-CG 4.2Å; Q478-F480 HydrophobicContact CB-CD2 4.4Å; Q478-F480 HydrophobicContact CB-CE2 3.73Å; Q478-F480 HydrophobicContact CB-CZ 4.49Å; Q478-L487 HydrophobicContact CB-CD1 3.83Å; Q478-L487 HydrophobicContact CG-CD1 4.17Å; Q478-T490 HydrophobicContact CG-CG2 4.17Å
479	I	92.3	Very high	90.1	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	124.2	179.4	-48.2	-178	0	0	0	108.9	I468 I469 L488 E489 V540	I468-I479 CarbonylContact O-C 3.36Å; I468-I479 WeakPolarHBondContact O-CA 3.36Å; I469-I479 HydrophobicContact CG1-CG1 4.26Å; I469-I479 HydrophobicContact CG1-CG2 4.33Å; I479-L488 HydrophobicContact CG2-CD1 4.3Å; I479-L488 PolarHBondContact O-N 3.31Å; I479-E489 HydrophobicContact CD1-CB 4.38Å; I479-E489 PolarHBondContact N-O 2.68Å; I479-V540 HydrophobicContact CD1-CB 4.12Å; I479-V540 HydrophobicContact CD1-CG2 3.44Å; I479-V540 VanDerWaalsContact CD1-CG2 3.44Å
480	F	91.4	Very high	90.1	Very high	5 Å²	5	39.4 Å²	39.4	2%	0.022	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	143.8	177.9	-70.6	-86.5	0	0	0	110.8	M451 A452 C453 Q467 I468 L470 Q478 L487	M451-F480 HydrophobicContact CB-CD1 4.18Å; M451-F480 HydrophobicContact CB-CE1 4.13Å; M451-F480 HydrophobicContact CE-CD1 3.6Å; M451-F480 HydrophobicContact CE-CE1 3.76Å; M451-F480 HydrophobicContact CG-CD1 4.17Å; A452-F480 WeakPolarHBondContact O-CZ 3.47Å; C453-F480 HydrophobicContact CB-CE2 4.39Å; C453-F480 HydrophobicContact CB-CZ 4.28Å; Q467-F480 CarbonylContact C-O 3.56Å; Q467-F480 WeakPolarHBondContact CA-O 3.22Å; Q467-F480 WeakPolarHBondContact CB-O 3.3Å; I468-F480 HydrophobicContact CB-CB 4.43Å; I468-F480 PolarHBondContact N-O 3.49Å; I468-F480 PolarHBondContact O-N 2.96Å; L470-F480 HydrophobicContact CD1-CD2 3.82Å; L470-F480 HydrophobicContact CD1-CE2 3.48Å; L470-F480 VanDerWaalsContact CD1-CE2 3.48Å; L470-F480 HydrophobicContact CG-CD2 4.22Å; L470-F480 HydrophobicContact CG-CE2 4.27Å; Q478-F480 HydrophobicContact CB-CD2 4.4Å; Q478-F480 HydrophobicContact CB-CE2 3.73Å; Q478-F480 HydrophobicContact CB-CZ 4.49Å; F480-L487 HydrophobicContact CD1-CB 4.11Å; F480-L487 HydrophobicContact CD1-CD1 4.24Å; F480-L487 HydrophobicContact CD2-CD1 4.3Å; F480-L487 HydrophobicContact CE1-CB 3.71Å; F480-L487 HydrophobicContact CE1-CD1 3.78Å; F480-L487 HydrophobicContact CE1-CG 4.33Å; F480-L487 HydrophobicContact CE2-CD1 3.81Å; F480-L487 HydrophobicContact CZ-CB 4.3Å; F480-L487 HydrophobicContact CZ-CD1 3.55Å; F480-L487 HydrophobicContact CZ-CG 4.46Å
481	E	90.2	Very high	90	Very high	66 Å²	66	40.4 Å²	40.4	31%	0.308	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	132.2	167	-178.6	178.1	-148.6	0	0	110.3	S484 G485 S486 L488	E481-S484 WeakPolarHBondContact CB-OG 3.47Å; E481-S484 WeakPolarHBondContact CG-OG 3.46Å; E481-S484 PolarHBondContact OE2-OG 3Å; E481-G485 VanDerWaalsContact O-CA 3.22Å; E481-G485 WeakPolarHBondContact O-CA 3.48Å; E481-G485 PolarHBondContact O-N 3.45Å; E481-S486 PolarHBondContact N-O 2.94Å; E481-S486 VanDerWaalsContact N-O 3.1Å; E481-L488 HydrophobicContact CB-CD1 3.91Å; E481-L488 HydrophobicContact CB-CD2 4.1Å; E481-L488 HydrophobicContact CB-CG 3.92Å
482	L	88	Confident	89.8	Confident	44 Å²	44	46.3 Å²	46.3	23%	0.23	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-40.4	-174.8	-174.3	75.7	0	0	0	112.8	V439 R466 I468	V439-L482 HydrophobicContact CB-CD1 3.95Å; V439-L482 HydrophobicContact CG1-CD1 3.86Å; V439-L482 HydrophobicContact CG2-CD1 3.55Å; R466-L482 WeakPolarHBondContact O-CB 3.47Å; R466-L482 PolarHBondContact O-N 3.2Å; I468-L482 HydrophobicContact CD1-CD1 3.82Å
483	A	86.9	Confident	89.6	Confident	72 Å²	72	46.3 Å²	46.3	60%	0.595	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-51.5	-173.7	0	0	0	0	0	111.8	R449	R449-A483 PolarHBondContact NH2-O 2.89Å
484	S	84.6	Confident	89.5	Confident	63 Å²	63	40.9 Å²	40.9	44%	0.441	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-31.6	178.3	53.8	0	0	0	0	112	E481 S486	E481-S484 WeakPolarHBondContact CB-OG 3.47Å; E481-S484 WeakPolarHBondContact CG-OG 3.46Å; E481-S484 PolarHBondContact OE2-OG 3Å; S484-S486 VanDerWaalsContact C-N 3.28Å; S484-S486 PolarHBondContact OG-N 3.45Å; S484-S486 PolarHBondContact OG-OG 3.27Å
485	G	83.4	Confident	89.4	Confident	20 Å²	20	43.6 Å²	43.6	21%	0.206	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	45.2	-168.1	0	0	0	0	0	110.2	M451 E481	M451-G485 WeakPolarHBondContact CE-O 3.48Å; M451-G485 VanDerWaalsContact SD-C 3.51Å; M451-G485 WeakPolarHBondContact SD-CA 3.38Å; M451-G485 VanDerWaalsContact SD-O 3.33Å; E481-G485 VanDerWaalsContact O-CA 3.22Å; E481-G485 WeakPolarHBondContact O-CA 3.48Å; E481-G485 PolarHBondContact O-N 3.45Å
486	S	87.7	Confident	89.4	Confident	51 Å²	51	44.4 Å²	44.4	36%	0.357	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	148.2	170.7	55.6	0	0	0	0	110.6	E481 S484 L488	E481-S486 PolarHBondContact N-O 2.94Å; E481-S486 VanDerWaalsContact N-O 3.1Å; S484-S486 VanDerWaalsContact C-N 3.28Å; S484-S486 PolarHBondContact OG-N 3.45Å; S484-S486 PolarHBondContact OG-OG 3.27Å; S486-L488 PolarHBondContact O-N 2.86Å
487	L	88.2	Confident	89.5	Confident	80 Å²	80	42.4 Å²	42.4	42%	0.419	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	116.7	167.6	179.7	70.2	0	0	0	107.9	Q478 F480 T490	Q478-L487 HydrophobicContact CB-CD1 3.83Å; Q478-L487 HydrophobicContact CG-CD1 4.17Å; F480-L487 HydrophobicContact CD1-CB 4.11Å; F480-L487 HydrophobicContact CD1-CD1 4.24Å; F480-L487 HydrophobicContact CD2-CD1 4.3Å; F480-L487 HydrophobicContact CE1-CB 3.71Å; F480-L487 HydrophobicContact CE1-CD1 3.78Å; F480-L487 HydrophobicContact CE1-CG 4.33Å; F480-L487 HydrophobicContact CE2-CD1 3.81Å; F480-L487 HydrophobicContact CZ-CB 4.3Å; F480-L487 HydrophobicContact CZ-CD1 3.55Å; F480-L487 HydrophobicContact CZ-CG 4.46Å; L487-T490 WeakPolarHBondContact CD2-OG1 3.5Å
488	L	86.4	Confident	89.6	Confident	57 Å²	57	42.3 Å²	42.3	30%	0.298	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-52.9	178.2	-68.9	179.1	0	0	0	110.9	Q467 I479 E481 S486	Q467-L488 HydrophobicContact CG-CD1 4.1Å; I479-L488 HydrophobicContact CG2-CD1 4.3Å; I479-L488 PolarHBondContact O-N 3.31Å; E481-L488 HydrophobicContact CB-CD1 3.91Å; E481-L488 HydrophobicContact CB-CD2 4.1Å; E481-L488 HydrophobicContact CB-CG 3.92Å; S486-L488 PolarHBondContact O-N 2.86Å
489	E	85.7	Confident	89.6	Confident	58 Å²	58	46.9 Å²	46.9	27%	0.271	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	145.8	-173.7	-166.3	173.2	-161.5	0	0	110.6	I479 V491 T539	I479-E489 HydrophobicContact CD1-CB 4.38Å; I479-E489 PolarHBondContact N-O 2.68Å; E489-V491 HydrophobicContact CG-CG2 3.87Å; E489-T539 WeakPolarHBondContact OE2-CA 3.22Å; E489-T539 WeakPolarHBondContact OE2-CB 3.47Å; E489-T539 WeakPolarHBondContact OE2-CG2 3.25Å
490	T	91.4	Very high	89.6	Confident	56 Å²	56	47.3 Å²	47.3	34%	0.344	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116.4	167.4	-61.4	0	0	0	0	107.8	K476 L477 Q478 L487	K476-T490 HydrophobicContact CB-CG2 4.1Å; K476-T490 HydrophobicContact CD-CG2 3.71Å; K476-T490 HydrophobicContact CG-CG2 4.47Å; L477-T490 WeakPolarHBondContact O-CA 3.43Å; Q478-T490 HydrophobicContact CG-CG2 4.17Å; L487-T490 WeakPolarHBondContact CD2-OG1 3.5Å
491	V	90.9	Very high	89.6	Confident	22 Å²	22	48.1 Å²	48.1	13%	0.133	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.2	-179.2	-179.2	0	0	0	0	108.6	K476 L477 E489 A493 W522	K476-V491 CarbonylContact C-O 3.59Å; K476-V491 VanDerWaalsContact CA-O 3.31Å; K476-V491 WeakPolarHBondContact CA-O 3.37Å; L477-V491 HydrophobicContact CB-CB 4.4Å; L477-V491 PolarHBondContact N-O 3.02Å; L477-V491 PolarHBondContact O-N 2.97Å; E489-V491 HydrophobicContact CG-CG2 3.87Å; V491-A493 PolarHBondContact O-N 2.97Å; V491-W522 HydrophobicContact CG1-CH2 4Å; V491-W522 HydrophobicContact CG1-CZ3 3.8Å
492	D	89.7	Confident	89.7	Confident	123 Å²	123	45.8 Å²	45.8	66%	0.658	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	90.4	172.5	-67.4	-30	0	0	0	109.1	K476	K476-D492 VanDerWaalsContact CD-OD1 3.3Å; K476-D492 WeakPolarHBondContact CD-OD1 3.18Å; K476-D492 VanDerWaalsContact CE-OD1 3.3Å; K476-D492 WeakPolarHBondContact CE-OD1 3.4Å; K476-D492 VanDerWaalsContact CG-OD1 3.28Å; K476-D492 WeakPolarHBondContact CG-OD1 3.38Å
493	A	88.4	Confident	89.9	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.008	27%	0.273	C	S	.	.			trans	-83.4	-41.7	-170.6	0	0	0	0	0	113	G475 L477 V491 K520 W522	G475-A493 WeakPolarHBondContact O-CB 3.24Å; G475-A493 PolarHBondContact O-N 3.34Å; G475-A493 VanDerWaalsContact O-N 3.15Å; L477-A493 HydrophobicContact CB-CB 4.46Å; L477-A493 HydrophobicContact CD1-CB 3.7Å; L477-A493 HydrophobicContact CG-CB 3.61Å; V491-A493 PolarHBondContact O-N 2.97Å; A493-K520 WeakPolarHBondContact O-CD 3.35Å; A493-K520 WeakPolarHBondContact O-CE 3.42Å; A493-K520 PolarHBondContact O-NZ 2.82Å; A493-W522 HydrophobicContact CB-CH2 3.83Å; A493-W522 HydrophobicContact CB-CZ2 3.47Å; A493-W522 VanDerWaalsContact CB-CZ2 3.47Å
494	H	92.2	Very high	90	Very high	14 Å²	14	41.8 Å²	41.8	7%	0.065	25%	0.248	C	C	.	.			trans	-140.7	159.6	-170.5	-73.6	-85.1	0	0	0	111.3	G475 V498 S512 S514 D516 T518 K520	G475-H494 WeakPolarHBondContact CA-O 3.35Å; G475-H494 PolarHBondContact O-N 3.46Å; H494-V498 HydrophobicContact CB-CG2 4.42Å; H494-S512 PolarHBondContact NE2-OG 2.92Å; H494-S514 WeakPolarHBondContact CB-OG 3.44Å; H494-S514 VanDerWaalsContact CG-CB 3.41Å; H494-S514 VanDerWaalsContact ND1-CB 3.27Å; H494-S514 WeakPolarHBondContact ND1-CB 3.37Å; H494-D516 WeakPolarHBondContact CA-OD2 2.96Å; H494-D516 WeakPolarHBondContact CB-OD2 3.34Å; H494-D516 IonicContact CE1-OD1 3.42Å; H494-D516 IonicContact CG-OD2 2.89Å; H494-D516 VanDerWaalsContact ND1-CG 3.29Å; H494-D516 IonicContact ND1-OD1 2.77Å; H494-D516 PolarHBondContact ND1-OD1 3.45Å; H494-D516 IonicContact ND1-OD2 3.54Å; H494-D516 PolarHBondContact ND1-OD2 3.22Å; H494-T518 PolarHBondContact CE1-OG1 3.47Å; H494-T518 PolarHBondContact ND1-OG1 2.95Å; H494-T518 VanDerWaalsContact ND1-OG1 3.09Å; H494-K520 VanDerWaalsContact CE1-CG 3.45Å; H494-K520 WeakPolarHBondContact CE1-CG 3.28Å
495	S	90.8	Very high	90.1	Very high	113 Å²	113	40.7 Å²	40.7	79%	0.79	24%	0.239	S	C	*	.	S	Bend	trans	-84	-17.6	173.4	60.1	0	0	0	0	113	D516	S495-D516 PolarHBondContact N-OD2 2.97Å; S495-D516 WeakPolarHBondContact OG-CB 3.39Å
496	G	90.9	Very high	90.2	Very high	17 Å²	17	44.1 Å²	44.1	18%	0.175	25%	0.253	C	S	.	.	S	Bend	trans	-119.2	176.3	179.7	0	0	0	0	0	112.6	G475 V498 S514	G475-G496 WeakPolarHBondContact CA-O 3.2Å; G496-V498 PolarHBondContact O-N 3.46Å; G496-S514 PolarHBondContact O-OG 3.36Å; G496-S514 VanDerWaalsContact O-OG 3.09Å
497	A	93.9	Very high	90.1	Very high	14 Å²	14	46.5 Å²	46.5	12%	0.116	26%	0.258	C	S	.	.			trans	-58.7	134.5	-179.7	0	0	0	0	0	112.5	L457 K473 W499 S514 A515	L457-A497 HydrophobicContact CD1-CB 3.72Å; K473-A497 HydrophobicContact CG-CB 4.13Å; K473-A497 VanDerWaalsContact O-CA 3.25Å; K473-A497 WeakPolarHBondContact O-CA 3.42Å; K473-A497 WeakPolarHBondContact O-CB 2.75Å; A497-W499 PolarHBondContact O-N 3.38Å; A497-S514 VanDerWaalsContact O-CA 3.27Å; A497-S514 WeakPolarHBondContact O-CA 3.48Å; A497-S514 PolarHBondContact O-OG 3.24Å; A497-A515 PolarHBondContact O-N 3.36Å
498	V	94.9	Very high	90.1	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	107.1	173.2	-172	0	0	0	0	108.7	L457 C458 T472 H494 G496 L501	L457-V498 VanDerWaalsContact CB-O 3.25Å; L457-V498 WeakPolarHBondContact CB-O 3.25Å; C458-V498 PolarHBondContact SG-O 3.05Å; C458-V498 VanDerWaalsContact SG-O 3.34Å; T472-V498 PolarHBondContact O-N 2.65Å; H494-V498 HydrophobicContact CB-CG2 4.42Å; G496-V498 PolarHBondContact O-N 3.46Å; V498-L501 HydrophobicContact CG1-CD2 4.46Å; V498-L501 HydrophobicContact CG1-CG 4.3Å
499	W	92.9	Very high	90.2	Very high	107 Å²	107	49.5 Å²	49.5	41%	0.405	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-34.4	-176.7	-72.2	115	0	0	0	113	L457 A497 G513 V552 L553	L457-W499 HydrophobicContact CD1-CD2 4.46Å; L457-W499 HydrophobicContact CD1-CE3 4.11Å; L457-W499 HydrophobicContact CD1-CZ3 4.22Å; L457-W499 HydrophobicContact CD2-CE3 4.38Å; L457-W499 HydrophobicContact CD2-CZ3 3.99Å; A497-W499 PolarHBondContact O-N 3.38Å; W499-G513 PolarHBondContact N-O 2.95Å; W499-V552 VanDerWaalsContact CD1-O 3.28Å; W499-L553 WeakPolarHBondContact CB-O 3.24Å
500	S	92.1	Very high	90.6	Very high	11 Å²	11	46.9 Å²	46.9	8%	0.077	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	144.3	-176.3	56.2	0	0	0	0	112.8	S512 G513 V555	S500-S512 WeakPolarHBondContact O-CA 3.44Å; S500-G513 PolarHBondContact N-O 3.21Å; S500-G513 PolarHBondContact O-N 3.13Å; S500-V555 PolarHBondContact OG-N 3.24Å; S500-V555 VanDerWaalsContact OG-N 3.13Å
501	L	92.9	Very high	90.6	Very high	22 Å²	22	44.3 Å²	44.3	12%	0.115	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	135.8	171.3	-78.6	170	0	0	0	108.7	C458 I469 G471 L477 V498 I510 I511	C458-L501 HydrophobicContact CB-CB 4.12Å; C458-L501 HydrophobicContact CB-CD1 4.17Å; C458-L501 HydrophobicContact CB-CG 4.16Å; C458-L501 WeakPolarHBondContact SG-CD1 3.43Å; C458-L501 WeakPolarHBondContact SG-CG 3.44Å; I469-L501 HydrophobicContact CG2-CD1 4.19Å; G471-L501 VanDerWaalsContact N-CD1 3.35Å; L477-L501 HydrophobicContact CD2-CD1 4.04Å; L477-L501 HydrophobicContact CD2-CD2 3.79Å; L477-L501 HydrophobicContact CD2-CG 4.41Å; V498-L501 HydrophobicContact CG1-CD2 4.46Å; V498-L501 HydrophobicContact CG1-CG 4.3Å; L501-I510 HydrophobicContact CD2-CD1 4.35Å; L501-I511 WeakPolarHBondContact CA-O 3.48Å
502	C	91.8	Very high	90.8	Very high	17 Å²	17	43.2 Å²	43.2	12%	0.115	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	136.5	176.4	-169.3	0	0	0	0	109.9	I510 I511 K556 F557	C502-I510 CarbonylContact O-C 3.57Å; C502-I510 VanDerWaalsContact O-CA 3.31Å; C502-I510 WeakPolarHBondContact O-CA 3.31Å; C502-I511 PolarHBondContact N-O 3.45Å; C502-I511 PolarHBondContact O-N 2.96Å; C502-K556 HydrophobicContact CB-CD 4.38Å; C502-F557 HydrophobicContact CB-CD2 4.4Å
503	V	91.5	Very high	91	Very high	23 Å²	23	37.4 Å²	37.4	14%	0.139	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	137.9	171.4	163.7	0	0	0	0	109.4	L460 P463 I510	L460-V503 HydrophobicContact CD1-CB 4Å; L460-V503 HydrophobicContact CD1-CG2 3.38Å; L460-V503 HydrophobicContact CD2-CG2 3.16Å; L460-V503 HydrophobicContact CG-CG2 3.73Å; P463-V503 HydrophobicContact CG-CG1 4.2Å; V503-I510 HydrophobicContact CG2-CG2 3.82Å
504	A	90.1	Very high	91.3	Very high	9 Å²	9	37.3 Å²	37.3	7%	0.074	20%	0.196	C	C	.	.			trans	-63.1	136.1	169.2	0	0	0	0	0	109.7	D506 Q507 G509 F557	A504-D506 PolarHBondContact O-N 3.08Å; A504-Q507 WeakPolarHBondContact O-CA 3.32Å; A504-Q507 PolarHBondContact O-N 2.95Å; A504-G509 PolarHBondContact N-O 3.35Å; A504-F557 VanDerWaalsContact CA-CE2 3.46Å; A504-F557 HydrophobicContact CB-CD2 4.47Å; A504-F557 HydrophobicContact CB-CE2 3.8Å; A504-F557 HydrophobicContact CB-CZ 3.9Å
505	P	87	Confident	91.4	Very high	39 Å²	39	37.9 Å²	37.9	25%	0.253	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-30.1	176.5	-29	32	0	0	0	114.4	Q507 F557 S558 P559 H561	P505-Q507 PolarHBondContact O-N 3.31Å; P505-Q507 VanDerWaalsContact O-N 3.12Å; P505-Q507 PolarHBondContact O-NE2 3.14Å; P505-F557 HydrophobicContact CG-CB 4.09Å; P505-S558 VanDerWaalsContact CG-O 3.3Å; P505-S558 WeakPolarHBondContact CG-O 3.4Å; P505-P559 VanDerWaalsContact CB-O 3.28Å; P505-P559 WeakPolarHBondContact CB-O 3.41Å; P505-P559 WeakPolarHBondContact CG-O 3.3Å; P505-H561 HydrophobicContact CB-CB 4.36Å; P505-H561 HydrophobicContact CG-CB 4.28Å
506	D	84.4	Confident	91.5	Very high	92 Å²	92	34 Å²	34	49%	0.492	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-7.8	175.1	-68.9	9.8	0	0	0	114.3	A504 R508 H561	A504-D506 PolarHBondContact O-N 3.08Å; D506-R508 PolarHBondContact O-N 3.31Å; D506-H561 IonicContact OD1-CD2 3.8Å; D506-H561 PolarHBondContact OD1-CD2 2.77Å; D506-H561 IonicContact OD1-CG 3.97Å; D506-H561 IonicContact OD2-CD2 3.44Å; D506-H561 IonicContact OD2-NE2 3.9Å
507	Q	86.8	Confident	91.6	Very high	102 Å²	102	36.6 Å²	36.6	48%	0.477	18%	0.179	S	C	.	.	S	Bend	trans	61.5	8.5	-179.1	-50.5	-58.4	-23.4	0	0	114.8	P463 A504 P505	P463-Q507 HydrophobicContact CB-CB 3.97Å; P463-Q507 HydrophobicContact CB-CG 4.35Å; P463-Q507 HydrophobicContact CG-CB 3.82Å; P463-Q507 HydrophobicContact CG-CG 4.3Å; A504-Q507 WeakPolarHBondContact O-CA 3.32Å; A504-Q507 PolarHBondContact O-N 2.95Å; P505-Q507 PolarHBondContact O-N 3.31Å; P505-Q507 VanDerWaalsContact O-N 3.12Å; P505-Q507 PolarHBondContact O-NE2 3.14Å
508	R	86.9	Confident	91.6	Very high	194 Å²	194	36.9 Å²	36.9	73%	0.732	18%	0.18	S	C	*	.	S	Bend	trans	-95.1	-13	-176.1	-71.5	179.7	-176.5	-162.3	2.2	114.5	D506 F524	D506-R508 PolarHBondContact O-N 3.31Å; R508-F524 VanDerWaalsContact O-CD2 3.31Å; R508-F524 WeakPolarHBondContact O-CD2 3.33Å; R508-F524 PolarHBondContact O-N 2.9Å
509	G	89.3	Confident	91.6	Very high	6 Å²	6	36.9 Å²	36.9	6%	0.062	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	176.2	-174	0	0	0	0	0	114.3	A504 W522	A504-G509 PolarHBondContact N-O 3.35Å; G509-W522 CarbonylContact C-O 3.56Å; G509-W522 WeakPolarHBondContact CA-O 3.43Å
510	I	93.1	Very high	91.6	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.015	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	155.7	178.3	61	173.1	0	0	0	110.8	L460 I469 L477 L501 C502 V503 W522 F524 V540	L460-I510 HydrophobicContact CD2-CG2 4.28Å; I469-I510 HydrophobicContact CD1-CD1 4.02Å; I469-I510 HydrophobicContact CD1-CG2 4.45Å; I469-I510 HydrophobicContact CG2-CD1 4.22Å; L477-I510 HydrophobicContact CD1-CD1 4.28Å; L501-I510 HydrophobicContact CD2-CD1 4.35Å; C502-I510 CarbonylContact O-C 3.57Å; C502-I510 VanDerWaalsContact O-CA 3.31Å; C502-I510 WeakPolarHBondContact O-CA 3.31Å; V503-I510 HydrophobicContact CG2-CG2 3.82Å; I510-W522 HydrophobicContact CD1-CB 4.37Å; I510-W522 HydrophobicContact CD1-CG 4.42Å; I510-W522 HydrophobicContact CG1-CB 3.67Å; I510-W522 HydrophobicContact CG1-CG 4.02Å; I510-W522 PolarHBondContact N-O 3.27Å; I510-W522 PolarHBondContact O-N 3.35Å; I510-F524 HydrophobicContact CG2-CE1 3.87Å; I510-F524 HydrophobicContact CG2-CE2 4.31Å; I510-F524 HydrophobicContact CG2-CZ 3.42Å; I510-F524 VanDerWaalsContact CG2-CZ 3.42Å; I510-V540 HydrophobicContact CD1-CG1 3.95Å; I510-V540 HydrophobicContact CG1-CG1 4.23Å
511	I	93.1	Very high	91.7	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.9	165.1	-69.4	-178.8	0	0	0	109.4	L501 C502 V519 K520 F521 V555 F557 L564	L501-I511 WeakPolarHBondContact CA-O 3.48Å; C502-I511 PolarHBondContact N-O 3.45Å; C502-I511 PolarHBondContact O-N 2.96Å; I511-V519 HydrophobicContact CG2-CG1 3.24Å; I511-K520 WeakPolarHBondContact CA-O 3.21Å; I511-F521 HydrophobicContact CD1-CD1 3.71Å; I511-F521 HydrophobicContact CD1-CE1 3.27Å; I511-F521 HydrophobicContact CD1-CZ 3.71Å; I511-F521 HydrophobicContact CG1-CD1 3.6Å; I511-F521 HydrophobicContact CG1-CE1 3.75Å; I511-F521 HydrophobicContact CG1-CG 4.15Å; I511-F521 HydrophobicContact CG1-CZ 4.34Å; I511-V555 HydrophobicContact CG2-CB 4.44Å; I511-V555 HydrophobicContact CG2-CG1 3.78Å; I511-F557 HydrophobicContact CB-CE2 4.19Å; I511-F557 HydrophobicContact CD1-CD1 4.37Å; I511-F557 HydrophobicContact CD1-CD2 4.09Å; I511-F557 HydrophobicContact CD1-CE1 3.6Å; I511-F557 HydrophobicContact CD1-CE2 3.24Å; I511-F557 HydrophobicContact CD1-CZ 3Å; I511-F557 HydrophobicContact CG1-CE2 3.49Å; I511-F557 VanDerWaalsContact CG1-CE2 3.49Å; I511-F557 HydrophobicContact CG1-CZ 3.51Å; I511-L564 HydrophobicContact CD1-CD1 3.42Å; I511-L564 VanDerWaalsContact CD1-CD1 3.42Å; I511-L564 HydrophobicContact CD1-CD2 3.99Å; I511-L564 HydrophobicContact CD1-CG 4.36Å
512	S	94.1	Very high	91.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	128.8	166.9	58.4	0	0	0	0	111.1	H494 S500 V519 K520 W522	H494-S512 PolarHBondContact NE2-OG 2.92Å; S500-S512 WeakPolarHBondContact O-CA 3.44Å; S512-V519 CarbonylContact O-C 3.55Å; S512-V519 WeakPolarHBondContact O-CA 3.42Å; S512-K520 PolarHBondContact N-O 2.87Å; S512-K520 PolarHBondContact O-N 2.71Å; S512-W522 PolarHBondContact OG-NE1 3.11Å
513	G	93.9	Very high	91.7	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.5	170.1	0	0	0	0	0	110.6	W499 S500	W499-G513 PolarHBondContact N-O 2.95Å; S500-G513 PolarHBondContact N-O 3.21Å; S500-G513 PolarHBondContact O-N 3.13Å
514	S	94.8	Very high	91.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	160.5	-173.7	-179.5	0	0	0	0	113.5	H494 G496 A497 D516 K517 T518 V552	H494-S514 WeakPolarHBondContact CB-OG 3.44Å; H494-S514 VanDerWaalsContact CG-CB 3.41Å; H494-S514 VanDerWaalsContact ND1-CB 3.27Å; H494-S514 WeakPolarHBondContact ND1-CB 3.37Å; G496-S514 PolarHBondContact O-OG 3.36Å; G496-S514 VanDerWaalsContact O-OG 3.09Å; A497-S514 VanDerWaalsContact O-CA 3.27Å; A497-S514 WeakPolarHBondContact O-CA 3.48Å; A497-S514 PolarHBondContact O-OG 3.24Å; S514-D516 WeakPolarHBondContact CB-OD1 3.34Å; S514-D516 PolarHBondContact O-N 3.11Å; S514-D516 PolarHBondContact OG-N 3.41Å; S514-D516 PolarHBondContact OG-OD1 3.03Å; S514-K517 PolarHBondContact O-N 3.26Å; S514-T518 PolarHBondContact N-O 3.13Å; S514-V552 PolarHBondContact O-N 3.28Å
515	A	93.5	Very high	91.3	Very high	25 Å²	25	41.5 Å²	41.5	21%	0.207	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-11.9	168.3	0	0	0	0	0	113.7	A497 K517 D551	A497-A515 PolarHBondContact O-N 3.36Å; A515-K517 PolarHBondContact O-N 3.46Å; A515-K517 VanDerWaalsContact O-N 3.15Å; A515-D551 VanDerWaalsContact O-CG 3.32Å; A515-D551 VanDerWaalsContact O-OD1 3.12Å
516	D	92.8	Very high	90.9	Very high	33 Å²	33	45 Å²	45	18%	0.176	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	15.8	175.7	71.5	4	0	0	0	114.1	H494 S495 S514 T518	H494-D516 WeakPolarHBondContact CA-OD2 2.96Å; H494-D516 WeakPolarHBondContact CB-OD2 3.34Å; H494-D516 IonicContact CE1-OD1 3.42Å; H494-D516 IonicContact CG-OD2 2.89Å; H494-D516 VanDerWaalsContact ND1-CG 3.29Å; H494-D516 IonicContact ND1-OD1 2.77Å; H494-D516 PolarHBondContact ND1-OD1 3.45Å; H494-D516 IonicContact ND1-OD2 3.54Å; H494-D516 PolarHBondContact ND1-OD2 3.22Å; S495-D516 PolarHBondContact N-OD2 2.97Å; S495-D516 WeakPolarHBondContact OG-CB 3.39Å; S514-D516 WeakPolarHBondContact CB-OD1 3.34Å; S514-D516 PolarHBondContact O-N 3.11Å; S514-D516 PolarHBondContact OG-N 3.41Å; S514-D516 PolarHBondContact OG-OD1 3.03Å; D516-T518 VanDerWaalsContact CG-OG1 3.32Å; D516-T518 PolarHBondContact O-N 2.86Å; D516-T518 WeakPolarHBondContact OD1-CB 3.19Å; D516-T518 PolarHBondContact OD1-N 3.36Å; D516-T518 VanDerWaalsContact OD1-N 3.08Å; D516-T518 PolarHBondContact OD1-OG1 2.88Å; D516-T518 PolarHBondContact OD2-OG1 3.07Å
517	K	92.8	Very high	90.6	Very high	70 Å²	70	43 Å²	43	30%	0.304	21%	0.205	S	C	.	.	S	Bend	trans	65.8	12.4	-179.3	-44.7	-175.1	166.6	-146.2	0	114.2	S514 A515 L548 D549 E550 D551	S514-K517 PolarHBondContact O-N 3.26Å; A515-K517 PolarHBondContact O-N 3.46Å; A515-K517 VanDerWaalsContact O-N 3.15Å; K517-L548 WeakPolarHBondContact CB-O 3.44Å; K517-L548 PolarHBondContact O-N 3.01Å; K517-D549 WeakPolarHBondContact CD-O 3.42Å; K517-D549 PolarHBondContact NZ-O 3.05Å; K517-E550 IonicContact NZ-OE2 2.95Å; K517-E550 PolarHBondContact NZ-OE2 2.98Å; K517-D551 WeakPolarHBondContact CE-OD1 3.49Å
518	T	94.4	Very high	89.6	Confident	20 Å²	20	45.7 Å²	45.7	12%	0.123	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	145.3	178.8	72.7	0	0	0	0	112.4	H494 S514 D516 L546	H494-T518 PolarHBondContact CE1-OG1 3.47Å; H494-T518 PolarHBondContact ND1-OG1 2.95Å; H494-T518 VanDerWaalsContact ND1-OG1 3.09Å; S514-T518 PolarHBondContact N-O 3.13Å; D516-T518 VanDerWaalsContact CG-OG1 3.32Å; D516-T518 PolarHBondContact O-N 2.86Å; D516-T518 WeakPolarHBondContact OD1-CB 3.19Å; D516-T518 PolarHBondContact OD1-N 3.36Å; D516-T518 VanDerWaalsContact OD1-N 3.08Å; D516-T518 PolarHBondContact OD1-OG1 2.88Å; D516-T518 PolarHBondContact OD2-OG1 3.07Å; T518-L546 CarbonylContact C-O 3.54Å; T518-L546 WeakPolarHBondContact CA-O 3.4Å
519	V	94.4	Very high	88.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120.2	166.5	-178.4	0	0	0	0	107.4	I511 S512 L546 L548 V552 V555 V566	I511-V519 HydrophobicContact CG2-CG1 3.24Å; S512-V519 CarbonylContact O-C 3.55Å; S512-V519 WeakPolarHBondContact O-CA 3.42Å; V519-L546 HydrophobicContact CB-CB 4.21Å; V519-L546 HydrophobicContact CB-CD2 4.49Å; V519-L546 PolarHBondContact N-O 2.74Å; V519-L546 PolarHBondContact O-N 2.92Å; V519-L548 HydrophobicContact CG2-CD1 4Å; V519-V552 HydrophobicContact CG2-CB 4.42Å; V519-V552 HydrophobicContact CG2-CG1 4.08Å; V519-V552 HydrophobicContact CG2-CG2 3.8Å; V519-V555 HydrophobicContact CG1-CG1 4.43Å; V519-V555 HydrophobicContact CG1-CG2 4.37Å; V519-V555 HydrophobicContact CG2-CG2 4.16Å; V519-V566 HydrophobicContact CG2-CG1 4.21Å; V519-V566 HydrophobicContact CG2-CG2 4.39Å
520	K	94.3	Very high	86.9	Confident	44 Å²	44	49.3 Å²	49.3	19%	0.191	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	138.7	-177.8	-68.8	-173.7	-178.3	-178.6	0	111.2	A493 H494 I511 S512 W522 T545	A493-K520 WeakPolarHBondContact O-CD 3.35Å; A493-K520 WeakPolarHBondContact O-CE 3.42Å; A493-K520 PolarHBondContact O-NZ 2.82Å; H494-K520 VanDerWaalsContact CE1-CG 3.45Å; H494-K520 WeakPolarHBondContact CE1-CG 3.28Å; I511-K520 WeakPolarHBondContact CA-O 3.21Å; S512-K520 PolarHBondContact N-O 2.87Å; S512-K520 PolarHBondContact O-N 2.71Å; K520-W522 HydrophobicContact CB-CZ2 4.02Å; K520-W522 HydrophobicContact CD-CZ2 3.92Å; K520-T545 HydrophobicContact CD-CG2 4.43Å; K520-T545 HydrophobicContact CG-CG2 4.09Å
521	F	93.6	Very high	85.3	Confident	22 Å²	22	58.3 Å²	58.3	10%	0.096	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	137.7	176.9	-66	-106.8	0	0	0	109.2	I511 T543 R544 L546 F557 L564 L581	I511-F521 HydrophobicContact CD1-CD1 3.71Å; I511-F521 HydrophobicContact CD1-CE1 3.27Å; I511-F521 HydrophobicContact CD1-CZ 3.71Å; I511-F521 HydrophobicContact CG1-CD1 3.6Å; I511-F521 HydrophobicContact CG1-CE1 3.75Å; I511-F521 HydrophobicContact CG1-CG 4.15Å; I511-F521 HydrophobicContact CG1-CZ 4.34Å; F521-T543 WeakPolarHBondContact CB-OG1 3.37Å; F521-T543 PolarHBondContact O-N 2.86Å; F521-T543 PolarHBondContact O-OG1 3.38Å; F521-R544 HydrophobicContact CB-CB 4.12Å; F521-R544 HydrophobicContact CD2-CB 3.95Å; F521-R544 WeakPolarHBondContact CD2-O 3.38Å; F521-R544 HydrophobicContact CG-CB 4.22Å; F521-R544 PolarHBondContact N-O 2.83Å; F521-L546 HydrophobicContact CE2-CB 4.39Å; F521-F557 HydrophobicContact CE1-CZ 4.36Å; F521-L564 HydrophobicContact CE1-CD2 4.46Å; F521-L564 HydrophobicContact CZ-CD2 3.75Å; F521-L581 HydrophobicContact CE1-CD2 4.25Å; F521-L581 HydrophobicContact CE2-CD1 4.09Å; F521-L581 HydrophobicContact CE2-CD2 3.82Å; F521-L581 HydrophobicContact CZ-CD1 4.45Å; F521-L581 HydrophobicContact CZ-CD2 3.4Å
522	W	92.8	Very high	83.5	Confident	15 Å²	15	62.1 Å²	62.1	6%	0.057	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	142	-179.4	-44.4	78.1	0	0	0	111.4	L477 V491 A493 G509 I510 S512 K520 V540 K541 H542	L477-W522 HydrophobicContact CD1-CD2 4.28Å; L477-W522 HydrophobicContact CD1-CZ2 4.17Å; V491-W522 HydrophobicContact CG1-CH2 4Å; V491-W522 HydrophobicContact CG1-CZ3 3.8Å; A493-W522 HydrophobicContact CB-CH2 3.83Å; A493-W522 HydrophobicContact CB-CZ2 3.47Å; A493-W522 VanDerWaalsContact CB-CZ2 3.47Å; G509-W522 CarbonylContact C-O 3.56Å; G509-W522 WeakPolarHBondContact CA-O 3.43Å; I510-W522 HydrophobicContact CD1-CB 4.37Å; I510-W522 HydrophobicContact CD1-CG 4.42Å; I510-W522 HydrophobicContact CG1-CB 3.67Å; I510-W522 HydrophobicContact CG1-CG 4.02Å; I510-W522 PolarHBondContact N-O 3.27Å; I510-W522 PolarHBondContact O-N 3.35Å; S512-W522 PolarHBondContact OG-NE1 3.11Å; K520-W522 HydrophobicContact CB-CZ2 4.02Å; K520-W522 HydrophobicContact CD-CZ2 3.92Å; W522-V540 HydrophobicContact CB-CG1 3.2Å; W522-V540 HydrophobicContact CD2-CG1 3.83Å; W522-V540 HydrophobicContact CE3-CG1 3.71Å; W522-V540 HydrophobicContact CG-CG1 3.65Å; W522-K541 CarbonylContact C-O 3.57Å; W522-K541 VanDerWaalsContact CA-O 3.24Å; W522-K541 WeakPolarHBondContact CA-O 3.27Å; W522-H542 HydrophobicContact CD2-CB 4.41Å; W522-H542 HydrophobicContact CE3-CB 3.7Å; W522-H542 HydrophobicContact CH2-CB 4.03Å; W522-H542 HydrophobicContact CZ3-CB 3.52Å
523	E	91.6	Very high	81.5	Confident	100 Å²	100	69.1 Å²	69.1	47%	0.467	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	147.1	175.5	-73.9	178.6	-171.4	0	0	110.9	K541 T543	E523-K541 PolarHBondContact N-O 2.58Å; E523-K541 PolarHBondContact O-N 3.25Å; E523-T543 HydrophobicContact CB-CG2 4.05Å; E523-T543 HydrophobicContact CG-CG2 3.67Å
524	F	88.8	Confident	79.7	Confident	33 Å²	33	77.8 Å²	77.8	15%	0.145	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	116.4	176.2	-62.1	-48.5	0	0	0	110.5	V462 I469 R508 I510 L538 V540	V462-F524 HydrophobicContact CG1-CE1 4.38Å; V462-F524 HydrophobicContact CG1-CE2 4.28Å; V462-F524 HydrophobicContact CG1-CZ 4.07Å; V462-F524 HydrophobicContact CG2-CE1 4.39Å; V462-F524 HydrophobicContact CG2-CZ 4.35Å; I469-F524 HydrophobicContact CD1-CE1 3.6Å; I469-F524 HydrophobicContact CD1-CZ 4.19Å; R508-F524 VanDerWaalsContact O-CD2 3.31Å; R508-F524 WeakPolarHBondContact O-CD2 3.33Å; R508-F524 PolarHBondContact O-N 2.9Å; I510-F524 HydrophobicContact CG2-CE1 3.87Å; I510-F524 HydrophobicContact CG2-CE2 4.31Å; I510-F524 HydrophobicContact CG2-CZ 3.42Å; I510-F524 VanDerWaalsContact CG2-CZ 3.42Å; F524-L538 HydrophobicContact CB-CD1 4.06Å; F524-L538 HydrophobicContact CD1-CD1 4.29Å; F524-L538 HydrophobicContact CD1-CD2 3.78Å; F524-L538 HydrophobicContact CD1-CG 4.37Å; F524-L538 HydrophobicContact CE1-CD2 4.21Å; F524-L538 HydrophobicContact CG-CD1 4.27Å; F524-V540 HydrophobicContact CD1-CG2 3.97Å; F524-V540 HydrophobicContact CE1-CG2 4.1Å
525	E	84.5	Confident	77.9	Confident	72 Å²	72	83.1 Å²	83.1	34%	0.336	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.9	171.2	-73	-172.2	174.7	0	0	109.8	V527 T539 K541	E525-V527 PolarHBondContact O-N 2.83Å; E525-T539 PolarHBondContact N-O 2.97Å; E525-T539 PolarHBondContact O-N 2.69Å; E525-T539 VanDerWaalsContact O-O 3.11Å; E525-T539 PolarHBondContact O-OG1 3.33Å; E525-K541 HydrophobicContact CG-CB 4.47Å; E525-K541 HydrophobicContact CG-CD 4.46Å; E525-K541 WeakPolarHBondContact OE1-CD 3.33Å; E525-K541 IonicContact OE1-NZ 3.59Å; E525-K541 PolarHBondContact OE1-NZ 2.86Å; E525-K541 WeakPolarHBondContact OE2-CD 3.41Å; E525-K541 IonicContact OE2-NZ 3.15Å
526	L	79.3	Confident	76.7	Confident	112 Å²	112	89.5 Å²	89.5	59%	0.586	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	105.4	171.3	-76.4	90.8	0	0	0	109.8	R536 R537 L538	L526-R536 HydrophobicContact CB-CB 4.48Å; L526-R536 HydrophobicContact CD2-CB 4.01Å; L526-R537 CarbonylContact C-O 3.24Å; L526-R537 WeakPolarHBondContact CA-O 3.31Å; L526-L538 HydrophobicContact CD1-CD1 4.33Å
527	V	78.5	Confident	75.6	Confident	52 Å²	52	92.7 Å²	92.7	32%	0.315	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	138.8	175.8	178.7	0	0	0	0	109.3	E525 R536 R537 T539	E525-V527 PolarHBondContact O-N 2.83Å; V527-R536 CarbonylContact O-C 3.54Å; V527-R537 HydrophobicContact CB-CG 4.2Å; V527-R537 PolarHBondContact N-O 3.37Å; V527-R537 WeakPolarHBondContact O-CG 3.48Å; V527-R537 PolarHBondContact O-N 3.44Å; V527-T539 HydrophobicContact CB-CG2 4.18Å; V527-T539 HydrophobicContact CG2-CG2 4.02Å; V527-T539 VanDerWaalsContact CG2-OG1 3.29Å; V527-T539 WeakPolarHBondContact CG2-OG1 2.92Å
528	R	65.3	Low	74.9	Confident	158 Å²	158	90 Å²	90	60%	0.596	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	126.8	171.9	-62.5	-175.3	-172.3	-178.8	3.8	108.9	R536	R528-R536 HydrophobicContact CG-CG 4.3Å
529	D	61.3	Low	74.3	Confident	57 Å²	57	89.7 Å²	89.7	31%	0.305	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-71.5	135.5	172.9	-90.5	-30.7	0	0	0	110.7	E531 R537	D529-E531 VanDerWaalsContact C-N 3.27Å; D529-E531 PolarHBondContact O-N 2.79Å; D529-R537 WeakPolarHBondContact OD1-CD 3.41Å; D529-R537 IonicContact OD1-CZ 2.82Å; D529-R537 VanDerWaalsContact OD1-CZ 3.28Å; D529-R537 IonicContact OD1-NE 3.56Å; D529-R537 PolarHBondContact OD1-NE 3.23Å; D529-R537 IonicContact OD1-NH1 3.64Å; D529-R537 PolarHBondContact OD1-NH1 2.68Å; D529-R537 IonicContact OD2-NH1 3.12Å
530	K	58.1	Low	73.9	Confident	218 Å²	218	90.2 Å²	90.2	95%	0.948	42%	0.422	S	S	*	.	S	Bend	trans	-73.8	-12.8	-172.9	-68.1	-177.5	178.6	178.7	0	114.2
531	E	58.9	Low	73.6	Confident	192 Å²	192	93.1 Å²	93.1	90%	0.897	44%	0.435	S	S	*	.	S	Bend	trans	-102.6	-17.5	-175.4	-70.2	-173.9	161.2	0	0	114.3	D529	D529-E531 VanDerWaalsContact C-N 3.27Å; D529-E531 PolarHBondContact O-N 2.79Å
532	T	56.4	Low	73.4	Confident	81 Å²	81	95.6 Å²	95.6	50%	0.497	45%	0.447	S	S	.	.			trans	-140.4	105.2	174.2	39.9	0	0	0	0	110.1	Q534 N535	T532-Q534 PolarHBondContact O-N 3.02Å; T532-N535 PolarHBondContact O-N 2.69Å
533	D	51	Low	73.2	Confident	147 Å²	147	97.6 Å²	97.6	79%	0.786	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	6.8	-171	-153.6	21.7	0	0	0	114.8
534	Q	55.8	Low	73.1	Confident	183 Å²	183	98.9 Å²	98.9	86%	0.855	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-21.5	-176.8	-65.7	-172.9	-1.6	0	0	114.3	T532	T532-Q534 PolarHBondContact O-N 3.02Å
535	N	57.8	Low	73.3	Confident	112 Å²	112	101.2 Å²	101.2	60%	0.599	48%	0.478	S	S	*	.			trans	-102.7	111	-176.4	-75.7	-5.4	0	0	0	111.7	T532	T532-N535 PolarHBondContact O-N 2.69Å
536	R	67.3	Low	73.7	Confident	159 Å²	159	98.7 Å²	98.7	60%	0.6	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	111.5	169.4	-59.6	-177.9	-175.7	179.3	2.6	108	L526 V527 R528	L526-R536 HydrophobicContact CB-CB 4.48Å; L526-R536 HydrophobicContact CD2-CB 4.01Å; V527-R536 CarbonylContact O-C 3.54Å; R528-R536 HydrophobicContact CG-CG 4.3Å
537	R	70	Confident	74.3	Confident	100 Å²	100	101 Å²	101	38%	0.377	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	138.4	175.2	65.3	174	-164.7	-163	16.5	110	L526 V527 D529 T539	L526-R537 CarbonylContact C-O 3.24Å; L526-R537 WeakPolarHBondContact CA-O 3.31Å; V527-R537 HydrophobicContact CB-CG 4.2Å; V527-R537 PolarHBondContact N-O 3.37Å; V527-R537 WeakPolarHBondContact O-CG 3.48Å; V527-R537 PolarHBondContact O-N 3.44Å; D529-R537 WeakPolarHBondContact OD1-CD 3.41Å; D529-R537 IonicContact OD1-CZ 2.82Å; D529-R537 VanDerWaalsContact OD1-CZ 3.28Å; D529-R537 IonicContact OD1-NE 3.56Å; D529-R537 PolarHBondContact OD1-NE 3.23Å; D529-R537 IonicContact OD1-NH1 3.64Å; D529-R537 PolarHBondContact OD1-NH1 2.68Å; D529-R537 IonicContact OD2-NH1 3.12Å; R537-T539 HydrophobicContact CG-CG2 4.15Å
538	L	79.2	Confident	75	Confident	14 Å²	14	99.2 Å²	99.2	7%	0.073	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	127.9	171.7	-173.9	122.3	0	0	0	108.3	V462 Q467 F524 L526 V540	V462-L538 HydrophobicContact CG1-CD1 4.35Å; Q467-L538 VanDerWaalsContact CD-CB 3.49Å; Q467-L538 VanDerWaalsContact NE2-CB 3.29Å; Q467-L538 VanDerWaalsContact OE1-CD2 3.23Å; Q467-L538 VanDerWaalsContact OE1-CG 3.31Å; F524-L538 HydrophobicContact CB-CD1 4.06Å; F524-L538 HydrophobicContact CD1-CD1 4.29Å; F524-L538 HydrophobicContact CD1-CD2 3.78Å; F524-L538 HydrophobicContact CD1-CG 4.37Å; F524-L538 HydrophobicContact CE1-CD2 4.21Å; F524-L538 HydrophobicContact CG-CD1 4.27Å; L526-L538 HydrophobicContact CD1-CD1 4.33Å; L538-V540 HydrophobicContact CD2-CG2 4.29Å
539	T	81.5	Confident	76.1	Confident	12 Å²	12	96.9 Å²	96.9	7%	0.074	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	153.7	174.8	60.6	0	0	0	0	108.7	E489 E525 V527 R537	E489-T539 WeakPolarHBondContact OE2-CA 3.22Å; E489-T539 WeakPolarHBondContact OE2-CB 3.47Å; E489-T539 WeakPolarHBondContact OE2-CG2 3.25Å; E525-T539 PolarHBondContact N-O 2.97Å; E525-T539 PolarHBondContact O-N 2.69Å; E525-T539 VanDerWaalsContact O-O 3.11Å; E525-T539 PolarHBondContact O-OG1 3.33Å; V527-T539 HydrophobicContact CB-CG2 4.18Å; V527-T539 HydrophobicContact CG2-CG2 4.02Å; V527-T539 VanDerWaalsContact CG2-OG1 3.29Å; V527-T539 WeakPolarHBondContact CG2-OG1 2.92Å; R537-T539 HydrophobicContact CG-CG2 4.15Å
540	V	86	Confident	77.6	Confident	11 Å²	11	97.7 Å²	97.7	7%	0.067	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	112.5	-175.8	174.9	0	0	0	0	108.1	I469 I479 I510 W522 F524 L538	I469-V540 HydrophobicContact CD1-CG2 4.14Å; I479-V540 HydrophobicContact CD1-CB 4.12Å; I479-V540 HydrophobicContact CD1-CG2 3.44Å; I479-V540 VanDerWaalsContact CD1-CG2 3.44Å; I510-V540 HydrophobicContact CD1-CG1 3.95Å; I510-V540 HydrophobicContact CG1-CG1 4.23Å; W522-V540 HydrophobicContact CB-CG1 3.2Å; W522-V540 HydrophobicContact CD2-CG1 3.83Å; W522-V540 HydrophobicContact CE3-CG1 3.71Å; W522-V540 HydrophobicContact CG-CG1 3.65Å; F524-V540 HydrophobicContact CD1-CG2 3.97Å; F524-V540 HydrophobicContact CE1-CG2 4.1Å; L538-V540 HydrophobicContact CD2-CG2 4.29Å
541	K	87.8	Confident	79.3	Confident	106 Å²	106	89.5 Å²	89.5	46%	0.461	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.7	-176.5	-178.4	178.2	172.7	-178.3	0	111	W522 E523 E525 T543	W522-K541 CarbonylContact C-O 3.57Å; W522-K541 VanDerWaalsContact CA-O 3.24Å; W522-K541 WeakPolarHBondContact CA-O 3.27Å; E523-K541 PolarHBondContact N-O 2.58Å; E523-K541 PolarHBondContact O-N 3.25Å; E525-K541 HydrophobicContact CG-CB 4.47Å; E525-K541 HydrophobicContact CG-CD 4.46Å; E525-K541 WeakPolarHBondContact OE1-CD 3.33Å; E525-K541 IonicContact OE1-NZ 3.59Å; E525-K541 PolarHBondContact OE1-NZ 2.86Å; E525-K541 WeakPolarHBondContact OE2-CD 3.41Å; E525-K541 IonicContact OE2-NZ 3.15Å; K541-T543 PolarHBondContact O-N 2.81Å
542	H	89.9	Confident	81	Confident	74 Å²	74	80.3 Å²	80.3	34%	0.343	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	126.5	177.3	-179.4	-94.5	0	0	0	111.4	W522 R544 T545	W522-H542 HydrophobicContact CD2-CB 4.41Å; W522-H542 HydrophobicContact CE3-CB 3.7Å; W522-H542 HydrophobicContact CH2-CB 4.03Å; W522-H542 HydrophobicContact CZ3-CB 3.52Å; H542-R544 PolarHBondContact NE2-O 2.83Å; H542-T545 WeakPolarHBondContact CE1-CG2 3.37Å; H542-T545 WeakPolarHBondContact NE2-CG2 3.46Å
543	T	88.7	Confident	82.8	Confident	56 Å²	56	77.8 Å²	77.8	34%	0.344	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	-49.6	179.6	55.1	0	0	0	0	113.2	F521 E523 K541	F521-T543 WeakPolarHBondContact CB-OG1 3.37Å; F521-T543 PolarHBondContact O-N 2.86Å; F521-T543 PolarHBondContact O-OG1 3.38Å; E523-T543 HydrophobicContact CB-CG2 4.05Å; E523-T543 HydrophobicContact CG-CG2 3.67Å; K541-T543 PolarHBondContact O-N 2.81Å
544	R	89.5	Confident	84.7	Confident	127 Å²	127	71.6 Å²	71.6	48%	0.479	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	145.5	-173.1	-58.3	-179.7	-177.4	-178.3	-1.3	111.6	F521 H542 D579	F521-R544 HydrophobicContact CB-CB 4.12Å; F521-R544 HydrophobicContact CD2-CB 3.95Å; F521-R544 WeakPolarHBondContact CD2-O 3.38Å; F521-R544 HydrophobicContact CG-CB 4.22Å; F521-R544 PolarHBondContact N-O 2.83Å; H542-R544 PolarHBondContact NE2-O 2.83Å; R544-D579 PolarHBondContact NH1-O 2.89Å
545	T	92.8	Very high	86.6	Confident	82 Å²	82	63 Å²	63	50%	0.503	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.1	169.2	55.8	0	0	0	0	110.3	K520 H542	K520-T545 HydrophobicContact CD-CG2 4.43Å; K520-T545 HydrophobicContact CG-CG2 4.09Å; H542-T545 WeakPolarHBondContact CE1-CG2 3.37Å; H542-T545 WeakPolarHBondContact NE2-CG2 3.46Å
546	L	92.4	Very high	88.3	Confident	20 Å²	20	59.7 Å²	59.7	11%	0.105	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	118.8	164.9	176.2	69.2	0	0	0	108.1	T518 V519 F521 L548 F576 L581	T518-L546 CarbonylContact C-O 3.54Å; T518-L546 WeakPolarHBondContact CA-O 3.4Å; V519-L546 HydrophobicContact CB-CB 4.21Å; V519-L546 HydrophobicContact CB-CD2 4.49Å; V519-L546 PolarHBondContact N-O 2.74Å; V519-L546 PolarHBondContact O-N 2.92Å; F521-L546 HydrophobicContact CE2-CB 4.39Å; L546-L548 HydrophobicContact CD2-CD2 4.28Å; L546-L548 HydrophobicContact CG-CD2 4.2Å; L546-L548 HydrophobicContact CG-CG 4.36Å; L546-F576 HydrophobicContact CD2-CD2 4.01Å; L546-F576 HydrophobicContact CD2-CE2 4.01Å; L546-F576 HydrophobicContact CD2-CG 4.28Å; L546-F576 HydrophobicContact CD2-CZ 4.3Å; L546-L581 HydrophobicContact CB-CD1 4.5Å; L546-L581 HydrophobicContact CD1-CB 4.4Å
547	Q	92.5	Very high	89.5	Confident	160 Å²	160	53 Å²	53	75%	0.748	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	133.1	177	-172.6	171.2	3.9	0	0	109.8
548	L	92.1	Very high	90.6	Very high	14 Å²	14	48.2 Å²	48.2	7%	0.073	24%	0.237	C	C	.	.			trans	-121.3	168.9	-178.9	-61.2	171.6	0	0	0	110.1	K517 V519 L546 V552 V566 L568 F576	K517-L548 WeakPolarHBondContact CB-O 3.44Å; K517-L548 PolarHBondContact O-N 3.01Å; V519-L548 HydrophobicContact CG2-CD1 4Å; L546-L548 HydrophobicContact CD2-CD2 4.28Å; L546-L548 HydrophobicContact CG-CD2 4.2Å; L546-L548 HydrophobicContact CG-CG 4.36Å; L548-V552 HydrophobicContact CD1-CG2 3.7Å; L548-V566 HydrophobicContact CD1-CB 4.41Å; L548-V566 HydrophobicContact CD1-CG1 3.63Å; L548-L568 HydrophobicContact CB-CD2 4.19Å; L548-L568 HydrophobicContact CD1-CD2 3.88Å; L548-F576 HydrophobicContact CD2-CE2 3.97Å; L548-F576 HydrophobicContact CD2-CZ 3.55Å
549	D	89.1	Confident	91.1	Very high	110 Å²	110	49.6 Å²	49.6	59%	0.588	25%	0.247	S	C	*	.	S	Bend	trans	-76.7	-25.7	-174.9	-50.4	-52.5	0	0	0	112.4	K517 K574	K517-D549 WeakPolarHBondContact CD-O 3.42Å; K517-D549 PolarHBondContact NZ-O 3.05Å; D549-K574 IonicContact OD2-NZ 3.37Å; D549-K574 PolarHBondContact OD2-NZ 2.84Å
550	E	93.1	Very high	91.4	Very high	73 Å²	73	54.1 Å²	54.1	34%	0.341	27%	0.271	S	S	.	.	S	Bend	trans	-139.2	171	-173.6	-66	-62.2	177.6	0	0	113	K517 D570	K517-E550 IonicContact NZ-OE2 2.95Å; K517-E550 PolarHBondContact NZ-OE2 2.98Å; E550-D570 HydrophobicContact CG-CB 4.23Å
551	D	93.9	Very high	91.6	Very high	46 Å²	46	55.7 Å²	55.7	25%	0.246	28%	0.277	C	S	.	.			trans	-62.7	137	-177.4	-61.5	7.8	0	0	0	111.3	A515 K517 L568 L569	A515-D551 VanDerWaalsContact O-CG 3.32Å; A515-D551 VanDerWaalsContact O-OD1 3.12Å; K517-D551 WeakPolarHBondContact CE-OD1 3.49Å; D551-L568 WeakPolarHBondContact O-CA 3.39Å; D551-L569 HydrophobicContact CB-CB 4.11Å; D551-L569 HydrophobicContact CB-CD2 4.25Å; D551-L569 PolarHBondContact O-N 3.3Å
552	V	94.6	Very high	91.7	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	123.4	-178.9	179.4	0	0	0	0	109.9	W499 S514 V519 L548 V555 V566 L568	W499-V552 VanDerWaalsContact CD1-O 3.28Å; S514-V552 PolarHBondContact O-N 3.28Å; V519-V552 HydrophobicContact CG2-CB 4.42Å; V519-V552 HydrophobicContact CG2-CG1 4.08Å; V519-V552 HydrophobicContact CG2-CG2 3.8Å; L548-V552 HydrophobicContact CD1-CG2 3.7Å; V552-V555 HydrophobicContact CG1-CG2 3.46Å; V552-V555 VanDerWaalsContact CG1-CG2 3.46Å; V552-V566 HydrophobicContact CB-CG1 4.38Å; V552-V566 HydrophobicContact CG1-CG1 3.56Å; V552-V566 HydrophobicContact CG2-CG1 3.99Å; V552-L568 HydrophobicContact CG2-CD2 3.98Å
553	L	92.8	Very high	91.9	Very high	28 Å²	28	54.1 Å²	54.1	15%	0.147	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-51.2	-180	-63.2	175.7	0	0	0	111.6	W499 S567 L569 P593 L595	W499-L553 WeakPolarHBondContact CB-O 3.24Å; L553-S567 PolarHBondContact N-O 2.79Å; L553-L569 HydrophobicContact CD1-CD1 4.27Å; L553-P593 HydrophobicContact CD1-CB 3.87Å; L553-L595 HydrophobicContact CD1-CD2 4.37Å
554	C	92.9	Very high	92.1	Very high	17 Å²	17	51.4 Å²	51.4	12%	0.115	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	144.7	-177.5	-162.4	0	0	0	0	111.3	S567 L597	C554-S567 WeakPolarHBondContact CA-OG 3.4Å; C554-S567 VanDerWaalsContact CB-OG 3.26Å; C554-S567 WeakPolarHBondContact CB-OG 3.23Å; C554-S567 PolarHBondContact N-OG 3.33Å; C554-S567 PolarHBondContact O-N 2.85Å; C554-S567 PolarHBondContact O-OG 3.33Å; C554-L597 HydrophobicContact CB-CD2 3.9Å; C554-L597 HydrophobicContact CB-CG 4.1Å; C554-L597 WeakPolarHBondContact O-CD2 3.25Å
555	V	94.2	Very high	92.3	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	131.1	177.1	-176.8	0	0	0	0	109	S500 I511 V519 V552 L564 A565 V566	S500-V555 PolarHBondContact OG-N 3.24Å; S500-V555 VanDerWaalsContact OG-N 3.13Å; I511-V555 HydrophobicContact CG2-CB 4.44Å; I511-V555 HydrophobicContact CG2-CG1 3.78Å; V519-V555 HydrophobicContact CG1-CG1 4.43Å; V519-V555 HydrophobicContact CG1-CG2 4.37Å; V519-V555 HydrophobicContact CG2-CG2 4.16Å; V552-V555 HydrophobicContact CG1-CG2 3.46Å; V552-V555 VanDerWaalsContact CG1-CG2 3.46Å; V555-L564 HydrophobicContact CG1-CD1 3.5Å; V555-L564 VanDerWaalsContact CG1-CD1 3.5Å; V555-L564 HydrophobicContact CG1-CG 4.23Å; V555-A565 WeakPolarHBondContact CA-O 3.47Å; V555-V566 HydrophobicContact CG1-CG2 4.31Å; V555-V566 HydrophobicContact CG2-CG1 4.2Å; V555-V566 HydrophobicContact CG2-CG2 4.32Å
556	K	94.3	Very high	92.4	Very high	42 Å²	42	41.5 Å²	41.5	18%	0.183	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	144.6	171	-68.2	-63.2	-166	88.9	0	112	C502 A565 L597 D598	C502-K556 HydrophobicContact CB-CD 4.38Å; K556-A565 PolarHBondContact N-O 2.69Å; K556-A565 PolarHBondContact O-N 2.93Å; K556-L597 HydrophobicContact CB-CD1 3.51Å; K556-L597 HydrophobicContact CG-CD1 3.65Å; K556-L597 HydrophobicContact CG-CG 4.42Å; K556-L597 WeakPolarHBondContact CG-O 3.44Å; K556-D598 IonicContact NZ-OD1 3.86Å; K556-D598 PolarHBondContact NZ-OD1 2.91Å
557	F	93.1	Very high	92.5	Very high	18 Å²	18	40.5 Å²	40.5	8%	0.079	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	149.2	167.6	-78.7	-74.7	0	0	0	111.8	C502 A504 P505 I511 F521 L564 T578	C502-F557 HydrophobicContact CB-CD2 4.4Å; A504-F557 VanDerWaalsContact CA-CE2 3.46Å; A504-F557 HydrophobicContact CB-CD2 4.47Å; A504-F557 HydrophobicContact CB-CE2 3.8Å; A504-F557 HydrophobicContact CB-CZ 3.9Å; P505-F557 HydrophobicContact CG-CB 4.09Å; I511-F557 HydrophobicContact CB-CE2 4.19Å; I511-F557 HydrophobicContact CD1-CD1 4.37Å; I511-F557 HydrophobicContact CD1-CD2 4.09Å; I511-F557 HydrophobicContact CD1-CE1 3.6Å; I511-F557 HydrophobicContact CD1-CE2 3.24Å; I511-F557 HydrophobicContact CD1-CZ 3Å; I511-F557 HydrophobicContact CG1-CE2 3.49Å; I511-F557 VanDerWaalsContact CG1-CE2 3.49Å; I511-F557 HydrophobicContact CG1-CZ 3.51Å; F521-F557 HydrophobicContact CE1-CZ 4.36Å; F557-L564 HydrophobicContact CD1-CD1 3.99Å; F557-L564 HydrophobicContact CE1-CD1 4.17Å; F557-L564 HydrophobicContact CG-CD1 4.29Å; F557-T578 HydrophobicContact CD1-CG2 3.67Å; F557-T578 HydrophobicContact CE1-CG2 3.6Å
558	S	92.3	Very high	92.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.162	C	C	.	.			trans	-66.3	139.4	158	64.3	0	0	0	0	109.3	P505 D560 H561 R562 L563	P505-S558 VanDerWaalsContact CG-O 3.3Å; P505-S558 WeakPolarHBondContact CG-O 3.4Å; S558-D560 PolarHBondContact O-N 2.92Å; S558-D560 VanDerWaalsContact O-N 3.12Å; S558-H561 PolarHBondContact O-N 3.49Å; S558-R562 PolarHBondContact OG-N 3Å; S558-R562 VanDerWaalsContact OG-N 3.09Å; S558-L563 PolarHBondContact N-O 2.93Å; S558-L563 PolarHBondContact OG-N 3.43Å; S558-L563 PolarHBondContact OG-O 3.31Å
559	P	89.4	Confident	92.7	Very high	44 Å²	44	35.8 Å²	35.8	29%	0.286	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-30.2	176.4	-31.8	41.2	0	0	0	114.5	P505 H561 T600	P505-P559 VanDerWaalsContact CB-O 3.28Å; P505-P559 WeakPolarHBondContact CB-O 3.41Å; P505-P559 WeakPolarHBondContact CG-O 3.3Å; P559-H561 PolarHBondContact O-N 2.72Å; P559-T600 WeakPolarHBondContact CD-O 3.08Å; P559-T600 WeakPolarHBondContact CG-O 3.23Å
560	D	88.2	Confident	92.8	Very high	106 Å²	106	33.5 Å²	33.5	57%	0.567	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	7.3	176.3	-69.2	-5.5	0	0	0	114.3	S558 R562 S603	S558-D560 PolarHBondContact O-N 2.92Å; S558-D560 VanDerWaalsContact O-N 3.12Å; D560-R562 PolarHBondContact O-N 3.15Å; D560-S603 PolarHBondContact OD2-OG 3.02Å
561	H	89.3	Confident	92.8	Very high	44 Å²	44	31.3 Å²	31.3	20%	0.204	16%	0.157	C	C	.	.	S	Bend	trans	59.5	-0.2	-174.7	-163.7	-83.7	0	0	0	115.3	P505 D506 S558 P559 T578	P505-H561 HydrophobicContact CB-CB 4.36Å; P505-H561 HydrophobicContact CG-CB 4.28Å; D506-H561 IonicContact OD1-CD2 3.8Å; D506-H561 PolarHBondContact OD1-CD2 2.77Å; D506-H561 IonicContact OD1-CG 3.97Å; D506-H561 IonicContact OD2-CD2 3.44Å; D506-H561 IonicContact OD2-NE2 3.9Å; S558-H561 PolarHBondContact O-N 3.49Å; P559-H561 PolarHBondContact O-N 2.72Å; H561-T578 VanDerWaalsContact O-CB 3.31Å; H561-T578 WeakPolarHBondContact O-CB 3.48Å; H561-T578 WeakPolarHBondContact O-CG2 3.23Å; H561-T578 PolarHBondContact O-OG1 3.41Å
562	R	90.9	Very high	92.7	Very high	143 Å²	143	29.7 Å²	29.7	54%	0.54	15%	0.149	S	C	.	.	S	Bend	trans	-71.8	-38.1	-175.4	-172.2	-179.1	172.9	-166.8	-8.3	114.4	S558 D560 Y577 T578	S558-R562 PolarHBondContact OG-N 3Å; S558-R562 VanDerWaalsContact OG-N 3.09Å; D560-R562 PolarHBondContact O-N 3.15Å; R562-Y577 HydrophobicContact CG-CD1 4.34Å; R562-Y577 HydrophobicContact CG-CE1 4.33Å; R562-T578 PolarHBondContact O-N 3.17Å; R562-T578 PolarHBondContact O-OG1 2.89Å
563	L	93	Very high	92.8	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	153.6	-168	-62.2	166.7	0	0	0	112.2	S558 V575 F576 Y577 F584 L620	S558-L563 PolarHBondContact N-O 2.93Å; S558-L563 PolarHBondContact OG-N 3.43Å; S558-L563 PolarHBondContact OG-O 3.31Å; L563-V575 HydrophobicContact CB-CG1 4.11Å; L563-V575 HydrophobicContact CD2-CG1 4.13Å; L563-V575 HydrophobicContact CG-CG1 4.48Å; L563-F576 CarbonylContact C-O 3.59Å; L563-F576 WeakPolarHBondContact CA-O 3.06Å; L563-Y577 HydrophobicContact CD2-CD1 3.64Å; L563-Y577 HydrophobicContact CD2-CE1 3.61Å; L563-Y577 HydrophobicContact CD2-CG 4.27Å; L563-F584 HydrophobicContact CD1-CE1 4.46Å; L563-F584 HydrophobicContact CD2-CD1 3.79Å; L563-F584 HydrophobicContact CD2-CE1 4.33Å; L563-F584 HydrophobicContact CD2-CG 4.37Å; L563-L620 HydrophobicContact CD1-CD1 4.05Å; L563-L620 HydrophobicContact CD1-CD2 3.06Å; L563-L620 HydrophobicContact CD1-CG 3.84Å
564	L	93.7	Very high	92.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	118.3	177.2	-180	69.5	0	0	0	108.5	I511 F521 V555 F557 V566 V575 F576 T578	I511-L564 HydrophobicContact CD1-CD1 3.42Å; I511-L564 VanDerWaalsContact CD1-CD1 3.42Å; I511-L564 HydrophobicContact CD1-CD2 3.99Å; I511-L564 HydrophobicContact CD1-CG 4.36Å; F521-L564 HydrophobicContact CE1-CD2 4.46Å; F521-L564 HydrophobicContact CZ-CD2 3.75Å; V555-L564 HydrophobicContact CG1-CD1 3.5Å; V555-L564 VanDerWaalsContact CG1-CD1 3.5Å; V555-L564 HydrophobicContact CG1-CG 4.23Å; F557-L564 HydrophobicContact CD1-CD1 3.99Å; F557-L564 HydrophobicContact CE1-CD1 4.17Å; F557-L564 HydrophobicContact CG-CD1 4.29Å; L564-V566 HydrophobicContact CD2-CG2 4.24Å; L564-V566 HydrophobicContact CG-CG2 4.14Å; L564-V575 CarbonylContact O-C 3.51Å; L564-V575 VanDerWaalsContact O-CA 3.32Å; L564-V575 WeakPolarHBondContact O-CA 3.48Å; L564-F576 HydrophobicContact CB-CB 4.4Å; L564-F576 PolarHBondContact N-O 2.8Å; L564-F576 PolarHBondContact O-N 2.99Å; L564-T578 HydrophobicContact CB-CG2 4.06Å
565	A	94.6	Very high	93	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132	173.6	0	0	0	0	0	110.3	V555 K556 V573 V575 L597 I599 I606	V555-A565 WeakPolarHBondContact CA-O 3.47Å; K556-A565 PolarHBondContact N-O 2.69Å; K556-A565 PolarHBondContact O-N 2.93Å; A565-V573 HydrophobicContact CB-CG1 4.42Å; A565-V575 HydrophobicContact CB-CG2 4.38Å; A565-L597 HydrophobicContact CB-CD1 3.8Å; A565-I599 HydrophobicContact CB-CD1 3.96Å; A565-I606 HydrophobicContact CB-CD1 3.61Å
566	V	94.6	Very high	93	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.4	-180	-177	0	0	0	0	109	V519 L548 V552 V555 L564 L568 V573 K574 F576	V519-V566 HydrophobicContact CG2-CG1 4.21Å; V519-V566 HydrophobicContact CG2-CG2 4.39Å; L548-V566 HydrophobicContact CD1-CB 4.41Å; L548-V566 HydrophobicContact CD1-CG1 3.63Å; V552-V566 HydrophobicContact CB-CG1 4.38Å; V552-V566 HydrophobicContact CG1-CG1 3.56Å; V552-V566 HydrophobicContact CG2-CG1 3.99Å; V555-V566 HydrophobicContact CG1-CG2 4.31Å; V555-V566 HydrophobicContact CG2-CG1 4.2Å; V555-V566 HydrophobicContact CG2-CG2 4.32Å; L564-V566 HydrophobicContact CD2-CG2 4.24Å; L564-V566 HydrophobicContact CG-CG2 4.14Å; V566-L568 HydrophobicContact CG1-CD2 4.36Å; V566-V573 CarbonylContact O-C 3.55Å; V566-V573 WeakPolarHBondContact O-CA 3.36Å; V566-K574 PolarHBondContact N-O 2.93Å; V566-K574 PolarHBondContact O-N 2.88Å; V566-F576 HydrophobicContact CB-CE2 4.45Å; V566-F576 HydrophobicContact CG2-CD2 4.14Å; V566-F576 HydrophobicContact CG2-CE2 4.25Å
567	S	94.2	Very high	93	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	136.6	169.3	65.6	0	0	0	0	111.6	L553 C554 V594	L553-S567 PolarHBondContact N-O 2.79Å; C554-S567 WeakPolarHBondContact CA-OG 3.4Å; C554-S567 VanDerWaalsContact CB-OG 3.26Å; C554-S567 WeakPolarHBondContact CB-OG 3.23Å; C554-S567 PolarHBondContact N-OG 3.33Å; C554-S567 PolarHBondContact O-N 2.85Å; C554-S567 PolarHBondContact O-OG 3.33Å; S567-V594 WeakPolarHBondContact CB-O 3.49Å; S567-V594 PolarHBondContact OG-O 2.82Å; S567-V594 VanDerWaalsContact OG-O 3.12Å
568	L	94.2	Very high	92.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	160	-177.9	-68.9	178.8	0	0	0	111.3	L548 D551 V552 V566 D570 C571 T572 K574	L548-L568 HydrophobicContact CB-CD2 4.19Å; L548-L568 HydrophobicContact CD1-CD2 3.88Å; D551-L568 WeakPolarHBondContact O-CA 3.39Å; V552-L568 HydrophobicContact CG2-CD2 3.98Å; V566-L568 HydrophobicContact CG1-CD2 4.36Å; L568-D570 WeakPolarHBondContact CB-OD1 3.17Å; L568-D570 PolarHBondContact O-N 2.87Å; L568-C571 PolarHBondContact O-N 2.8Å; L568-T572 PolarHBondContact N-O 2.98Å; L568-K574 HydrophobicContact CD1-CD 3.68Å; L568-K574 HydrophobicContact CD1-CG 3.98Å
569	L	93.4	Very high	92.5	Very high	74 Å²	74	35.6 Å²	35.6	39%	0.387	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-21.8	174.1	-169.6	66.1	0	0	0	112.8	D551 L553 C571 P593	D551-L569 HydrophobicContact CB-CB 4.11Å; D551-L569 HydrophobicContact CB-CD2 4.25Å; D551-L569 PolarHBondContact O-N 3.3Å; L553-L569 HydrophobicContact CD1-CD1 4.27Å; L569-C571 PolarHBondContact O-N 2.87Å; L569-P593 HydrophobicContact CD1-CB 4.15Å; L569-P593 HydrophobicContact CD1-CG 3.95Å; L569-P593 WeakPolarHBondContact O-CG 3.39Å
570	D	91.8	Very high	92.5	Very high	62 Å²	62	37.4 Å²	37.4	33%	0.332	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	13.7	176.3	68.4	4.3	0	0	0	114.5	E550 L568 T572	E550-D570 HydrophobicContact CG-CB 4.23Å; L568-D570 WeakPolarHBondContact CB-OD1 3.17Å; L568-D570 PolarHBondContact O-N 2.87Å; D570-T572 VanDerWaalsContact CG-OG1 3.27Å; D570-T572 PolarHBondContact O-N 2.77Å; D570-T572 VanDerWaalsContact OD1-CB 3.29Å; D570-T572 WeakPolarHBondContact OD1-CB 3.3Å; D570-T572 WeakPolarHBondContact OD1-CG2 3.45Å; D570-T572 PolarHBondContact OD1-N 3.22Å; D570-T572 PolarHBondContact OD1-OG1 2.77Å; D570-T572 PolarHBondContact OD2-OG1 2.8Å
571	C	92.8	Very high	92.5	Very high	28 Å²	28	33.9 Å²	33.9	19%	0.189	17%	0.168	C	C	.	.	S	Bend	trans	67.7	8.3	-177.4	-45.3	0	0	0	0	114.8	L568 L569	L568-C571 PolarHBondContact O-N 2.8Å; L569-C571 PolarHBondContact O-N 2.87Å
572	T	93.4	Very high	92.6	Very high	11 Å²	11	38.5 Å²	38.5	7%	0.067	19%	0.187	C	C	.	.			trans	-101.2	156.8	177.8	76.3	0	0	0	0	111.8	L568 D570 Y588	L568-T572 PolarHBondContact N-O 2.98Å; D570-T572 VanDerWaalsContact CG-OG1 3.27Å; D570-T572 PolarHBondContact O-N 2.77Å; D570-T572 VanDerWaalsContact OD1-CB 3.29Å; D570-T572 WeakPolarHBondContact OD1-CB 3.3Å; D570-T572 WeakPolarHBondContact OD1-CG2 3.45Å; D570-T572 PolarHBondContact OD1-N 3.22Å; D570-T572 PolarHBondContact OD1-OG1 2.77Å; D570-T572 PolarHBondContact OD2-OG1 2.8Å; T572-Y588 HydrophobicContact CG2-CD1 3.59Å; T572-Y588 HydrophobicContact CG2-CE1 3.42Å; T572-Y588 VanDerWaalsContact CG2-CE1 3.42Å
573	V	94.9	Very high	92.7	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.8	167	179.9	0	0	0	0	107.8	A565 V566 S586 L587 V594 I606 T608	A565-V573 HydrophobicContact CB-CG1 4.42Å; V566-V573 CarbonylContact O-C 3.55Å; V566-V573 WeakPolarHBondContact O-CA 3.36Å; V573-S586 WeakPolarHBondContact O-CA 3.39Å; V573-L587 HydrophobicContact CB-CB 4.19Å; V573-L587 HydrophobicContact CB-CD1 4.17Å; V573-L587 HydrophobicContact CB-CG 4.44Å; V573-L587 HydrophobicContact CG1-CD1 4.21Å; V573-L587 PolarHBondContact N-O 2.84Å; V573-L587 PolarHBondContact O-N 2.83Å; V573-V594 HydrophobicContact CG2-CB 4.15Å; V573-V594 HydrophobicContact CG2-CG1 4.01Å; V573-V594 HydrophobicContact CG2-CG2 4.02Å; V573-I606 HydrophobicContact CG1-CD1 4.41Å; V573-T608 HydrophobicContact CG2-CG2 3.94Å
574	K	94.7	Very high	92.7	Very high	29 Å²	29	39.3 Å²	39.3	13%	0.126	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.6	176.1	-64.8	-173	-176	171.7	0	109.1	D549 V566 L568 F576 F583	D549-K574 IonicContact OD2-NZ 3.37Å; D549-K574 PolarHBondContact OD2-NZ 2.84Å; V566-K574 PolarHBondContact N-O 2.93Å; V566-K574 PolarHBondContact O-N 2.88Å; L568-K574 HydrophobicContact CD1-CD 3.68Å; L568-K574 HydrophobicContact CD1-CG 3.98Å; K574-F576 HydrophobicContact CB-CD2 4.44Å; K574-F576 HydrophobicContact CB-CE2 3.58Å; K574-F576 HydrophobicContact CB-CZ 3.89Å; K574-F576 HydrophobicContact CD-CZ 4.21Å; K574-F583 HydrophobicContact CB-CE2 4.27Å; K574-F583 HydrophobicContact CD-CE2 4.36Å; K574-F583 HydrophobicContact CG-CE2 4.17Å
575	V	95.1	Very high	92.6	Very high	3 Å²	3	41 Å²	41	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.8	176.2	-174.4	0	0	0	0	108.8	L563 L564 A565 F584 L585	L563-V575 HydrophobicContact CB-CG1 4.11Å; L563-V575 HydrophobicContact CD2-CG1 4.13Å; L563-V575 HydrophobicContact CG-CG1 4.48Å; L564-V575 CarbonylContact O-C 3.51Å; L564-V575 VanDerWaalsContact O-CA 3.32Å; L564-V575 WeakPolarHBondContact O-CA 3.48Å; A565-V575 HydrophobicContact CB-CG2 4.38Å; V575-F584 HydrophobicContact CG1-CD1 4.1Å; V575-F584 WeakPolarHBondContact O-CA 3.27Å; V575-F584 WeakPolarHBondContact O-CB 3.46Å; V575-F584 PolarHBondContact O-N 3.23Å; V575-L585 HydrophobicContact CB-CB 4.33Å; V575-L585 PolarHBondContact N-O 3.43Å; V575-L585 PolarHBondContact O-N 3.35Å
576	F	94.9	Very high	92.6	Very high	12 Å²	12	42.7 Å²	42.7	5%	0.053	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	153.8	-179.2	-62.8	-86.3	0	0	0	110.8	L546 L548 L563 L564 V566 K574 K582 F583	L546-F576 HydrophobicContact CD2-CD2 4.01Å; L546-F576 HydrophobicContact CD2-CE2 4.01Å; L546-F576 HydrophobicContact CD2-CG 4.28Å; L546-F576 HydrophobicContact CD2-CZ 4.3Å; L548-F576 HydrophobicContact CD2-CE2 3.97Å; L548-F576 HydrophobicContact CD2-CZ 3.55Å; L563-F576 CarbonylContact C-O 3.59Å; L563-F576 WeakPolarHBondContact CA-O 3.06Å; L564-F576 HydrophobicContact CB-CB 4.4Å; L564-F576 PolarHBondContact N-O 2.8Å; L564-F576 PolarHBondContact O-N 2.99Å; V566-F576 HydrophobicContact CB-CE2 4.45Å; V566-F576 HydrophobicContact CG2-CD2 4.14Å; V566-F576 HydrophobicContact CG2-CE2 4.25Å; K574-F576 HydrophobicContact CB-CD2 4.44Å; K574-F576 HydrophobicContact CB-CE2 3.58Å; K574-F576 HydrophobicContact CB-CZ 3.89Å; K574-F576 HydrophobicContact CD-CZ 4.21Å; F576-K582 WeakPolarHBondContact CA-O 3.43Å; F576-F583 HydrophobicContact CD1-CB 4.22Å; F576-F583 HydrophobicContact CE1-CB 4Å; F576-F583 HydrophobicContact CE1-CD2 4.06Å; F576-F583 HydrophobicContact CZ-CD2 4.34Å
577	Y	94	Very high	92.6	Very high	64 Å²	64	43 Å²	43	25%	0.251	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	131.3	163.8	-74.1	-73.5	0	0	0	110.2	R562 L563 D579 L581 K582 F584	R562-Y577 HydrophobicContact CG-CD1 4.34Å; R562-Y577 HydrophobicContact CG-CE1 4.33Å; L563-Y577 HydrophobicContact CD2-CD1 3.64Å; L563-Y577 HydrophobicContact CD2-CE1 3.61Å; L563-Y577 HydrophobicContact CD2-CG 4.27Å; Y577-D579 PolarHBondContact O-N 2.49Å; Y577-L581 WeakPolarHBondContact O-CA 3.47Å; Y577-L581 PolarHBondContact O-N 2.93Å; Y577-K582 PolarHBondContact N-O 3.09Å; Y577-F584 HydrophobicContact CD2-CB 3.98Å; Y577-F584 HydrophobicContact CD2-CG 4.41Å; Y577-F584 HydrophobicContact CE2-CB 3.69Å; Y577-F584 AromaticContact CE2-CD2 3.46Å; Y577-F584 HydrophobicContact CE2-CD2 3.46Å; Y577-F584 VanDerWaalsContact CE2-CD2 3.46Å; Y577-F584 HydrophobicContact CE2-CE2 4.27Å; Y577-F584 AromaticContact CE2-CG 3.67Å; Y577-F584 HydrophobicContact CE2-CG 3.67Å; Y577-F584 AromaticContact CZ-CD2 3.62Å; Y577-F584 AromaticContact CZ-CG 3.86Å; Y577-F584 VanDerWaalsContact OH-CD2 3.25Å; Y577-F584 WeakPolarHBondContact OH-CD2 2.84Å; Y577-F584 WeakPolarHBondContact OH-CE2 3.28Å
578	T	88.7	Confident	92.5	Very high	7 Å²	7	50.3 Å²	50.3	4%	0.043	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-41.1	-177.8	51.7	0	0	0	0	112.8	F557 H561 R562 L564	F557-T578 HydrophobicContact CD1-CG2 3.67Å; F557-T578 HydrophobicContact CE1-CG2 3.6Å; H561-T578 VanDerWaalsContact O-CB 3.31Å; H561-T578 WeakPolarHBondContact O-CB 3.48Å; H561-T578 WeakPolarHBondContact O-CG2 3.23Å; H561-T578 PolarHBondContact O-OG1 3.41Å; R562-T578 PolarHBondContact O-N 3.17Å; R562-T578 PolarHBondContact O-OG1 2.89Å; L564-T578 HydrophobicContact CB-CG2 4.06Å
579	D	87.3	Confident	92.2	Very high	114 Å²	114	52.5 Å²	52.5	61%	0.61	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-47.2	-174.6	-63.6	-23.7	0	0	0	112.6	R544 Y577	R544-D579 PolarHBondContact NH1-O 2.89Å; Y577-D579 PolarHBondContact O-N 2.49Å
580	T	88	Confident	92.2	Very high	82 Å²	82	49.8 Å²	49.8	50%	0.503	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-10.9	-171.3	60.3	0	0	0	0	113.8	K582	T580-K582 PolarHBondContact O-N 3.2Å; T580-K582 VanDerWaalsContact O-N 3.08Å; T580-K582 WeakPolarHBondContact OG1-CG 3.42Å; T580-K582 PolarHBondContact OG1-N 2.89Å
581	L	88.7	Confident	92.2	Very high	33 Å²	33	55.6 Å²	55.6	17%	0.173	28%	0.276	C	S	.	.			trans	54	21.5	-171	-55.5	178.2	0	0	0	113.7	F521 L546 Y577	F521-L581 HydrophobicContact CE1-CD2 4.25Å; F521-L581 HydrophobicContact CE2-CD1 4.09Å; F521-L581 HydrophobicContact CE2-CD2 3.82Å; F521-L581 HydrophobicContact CZ-CD1 4.45Å; F521-L581 HydrophobicContact CZ-CD2 3.4Å; L546-L581 HydrophobicContact CB-CD1 4.5Å; L546-L581 HydrophobicContact CD1-CB 4.4Å; Y577-L581 WeakPolarHBondContact O-CA 3.47Å; Y577-L581 PolarHBondContact O-N 2.93Å
582	K	91.4	Very high	92.3	Very high	140 Å²	140	58.3 Å²	58.3	61%	0.609	29%	0.288	S	S	*	.			trans	-70.5	136.2	173.3	-72.8	179.7	-179.7	-178.8	0	109.3	F576 Y577 T580 F584	F576-K582 WeakPolarHBondContact CA-O 3.43Å; Y577-K582 PolarHBondContact N-O 3.09Å; T580-K582 PolarHBondContact O-N 3.2Å; T580-K582 VanDerWaalsContact O-N 3.08Å; T580-K582 WeakPolarHBondContact OG1-CG 3.42Å; T580-K582 PolarHBondContact OG1-N 2.89Å; K582-F584 PolarHBondContact O-N 3.08Å
583	F	93.1	Very high	92.3	Very high	109 Å²	109	59.2 Å²	59.2	48%	0.478	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	130.7	171.5	175.2	-100.2	0	0	0	110	K574 F576 L585	K574-F583 HydrophobicContact CB-CE2 4.27Å; K574-F583 HydrophobicContact CD-CE2 4.36Å; K574-F583 HydrophobicContact CG-CE2 4.17Å; F576-F583 HydrophobicContact CD1-CB 4.22Å; F576-F583 HydrophobicContact CE1-CB 4Å; F576-F583 HydrophobicContact CE1-CD2 4.06Å; F576-F583 HydrophobicContact CZ-CD2 4.34Å; F583-L585 WeakPolarHBondContact CE2-O 3.45Å; F583-L585 VanDerWaalsContact CZ-C 3.46Å
584	F	93.1	Very high	92.3	Very high	56 Å²	56	59.1 Å²	59.1	25%	0.246	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-62.9	179.4	179.6	-133.3	0	0	0	111.1	L563 V575 Y577 K582	L563-F584 HydrophobicContact CD1-CE1 4.46Å; L563-F584 HydrophobicContact CD2-CD1 3.79Å; L563-F584 HydrophobicContact CD2-CE1 4.33Å; L563-F584 HydrophobicContact CD2-CG 4.37Å; V575-F584 HydrophobicContact CG1-CD1 4.1Å; V575-F584 WeakPolarHBondContact O-CA 3.27Å; V575-F584 WeakPolarHBondContact O-CB 3.46Å; V575-F584 PolarHBondContact O-N 3.23Å; Y577-F584 HydrophobicContact CD2-CB 3.98Å; Y577-F584 HydrophobicContact CD2-CG 4.41Å; Y577-F584 HydrophobicContact CE2-CB 3.69Å; Y577-F584 AromaticContact CE2-CD2 3.46Å; Y577-F584 HydrophobicContact CE2-CD2 3.46Å; Y577-F584 VanDerWaalsContact CE2-CD2 3.46Å; Y577-F584 HydrophobicContact CE2-CE2 4.27Å; Y577-F584 AromaticContact CE2-CG 3.67Å; Y577-F584 HydrophobicContact CE2-CG 3.67Å; Y577-F584 AromaticContact CZ-CD2 3.62Å; Y577-F584 AromaticContact CZ-CG 3.86Å; Y577-F584 VanDerWaalsContact OH-CD2 3.25Å; Y577-F584 WeakPolarHBondContact OH-CD2 2.84Å; Y577-F584 WeakPolarHBondContact OH-CE2 3.28Å; K582-F584 PolarHBondContact O-N 3.08Å
585	L	92.8	Very high	92.3	Very high	34 Å²	34	60.4 Å²	60.4	18%	0.178	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	152.2	-174.9	-65.1	169.4	0	0	0	111.1	V575 F583 L620	V575-L585 HydrophobicContact CB-CB 4.33Å; V575-L585 PolarHBondContact N-O 3.43Å; V575-L585 PolarHBondContact O-N 3.35Å; F583-L585 WeakPolarHBondContact CE2-O 3.45Å; F583-L585 VanDerWaalsContact CZ-C 3.46Å; L585-L620 WeakPolarHBondContact CD1-O 3.24Å
586	S	93.6	Very high	92.1	Very high	36 Å²	36	60.5 Å²	60.5	25%	0.252	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	120.8	168.4	48.2	0	0	0	0	109.4	V573 Y588	V573-S586 WeakPolarHBondContact O-CA 3.39Å; S586-Y588 WeakPolarHBondContact OG-CE2 3.38Å
587	L	93.9	Very high	92.1	Very high	7 Å²	7	60 Å²	60	4%	0.037	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	121	178.2	-50.2	176.3	0	0	0	109.1	V573 I606 W618	V573-L587 HydrophobicContact CB-CB 4.19Å; V573-L587 HydrophobicContact CB-CD1 4.17Å; V573-L587 HydrophobicContact CB-CG 4.44Å; V573-L587 HydrophobicContact CG1-CD1 4.21Å; V573-L587 PolarHBondContact N-O 2.84Å; V573-L587 PolarHBondContact O-N 2.83Å; L587-I606 HydrophobicContact CD1-CG2 3.96Å; L587-W618 HydrophobicContact CB-CD2 4.17Å; L587-W618 HydrophobicContact CB-CE3 4.21Å; L587-W618 HydrophobicContact CB-CH2 4.36Å; L587-W618 HydrophobicContact CB-CZ2 4.26Å; L587-W618 HydrophobicContact CB-CZ3 4.3Å; L587-W618 HydrophobicContact CD1-CB 4.22Å; L587-W618 HydrophobicContact CD1-CD2 4.02Å; L587-W618 HydrophobicContact CD1-CG 3.81Å; L587-W618 HydrophobicContact CD2-CB 4.43Å; L587-W618 HydrophobicContact CD2-CD2 4.1Å; L587-W618 HydrophobicContact CD2-CE3 3.86Å; L587-W618 HydrophobicContact CD2-CG 4.35Å; L587-W618 HydrophobicContact CD2-CZ3 4.5Å; L587-W618 HydrophobicContact CG-CD2 4.32Å; L587-W618 HydrophobicContact CG-CE3 4.44Å
588	Y	92.1	Very high	92.2	Very high	153 Å²	153	57.7 Å²	57.7	60%	0.6	29%	0.292	S	S	*	.			trans	-119.3	143.6	-178.3	-66	-80.8	0	0	0	111.9	T572 S586 W618	T572-Y588 HydrophobicContact CG2-CD1 3.59Å; T572-Y588 HydrophobicContact CG2-CE1 3.42Å; T572-Y588 VanDerWaalsContact CG2-CE1 3.42Å; S586-Y588 WeakPolarHBondContact OG-CE2 3.38Å; Y588-W618 WeakPolarHBondContact O-CH2 3.48Å
589	G	87.9	Confident	92.4	Very high	46 Å²	46	57.8 Å²	57.8	47%	0.474	29%	0.292	S	S	.	.			trans	136.6	1.1	166.9	0	0	0	0	0	115.3	K616	G589-K616 VanDerWaalsContact C-NZ 3.26Å; G589-K616 WeakPolarHBondContact O-CE 3.39Å; G589-K616 PolarHBondContact O-NZ 3.32Å
590	H	93.4	Very high	92.7	Very high	18 Å²	18	52.3 Å²	52.3	8%	0.083	26%	0.263	C	S	.	.			trans	-74.1	145.9	164.7	-77.1	-72.8	0	0	0	110.5	V594 T608 S610 D612	H590-V594 HydrophobicContact CB-CG2 4.11Å; H590-V594 WeakPolarHBondContact CD2-CG2 3.37Å; H590-T608 PolarHBondContact NE2-OG1 2.82Å; H590-S610 VanDerWaalsContact ND1-CB 3.33Å; H590-S610 WeakPolarHBondContact ND1-CB 3.22Å; H590-D612 IonicContact CG-OD2 3.38Å; H590-D612 IonicContact ND1-OD1 2.92Å; H590-D612 IonicContact ND1-OD2 3.8Å; H590-D612 PolarHBondContact ND1-OD2 3.28Å; H590-D612 VanDerWaalsContact ND1-OD2 3.09Å
591	K	92.5	Very high	92.7	Very high	184 Å²	184	53.3 Å²	53.3	80%	0.8	26%	0.262	S	S	*	.	S	Bend	trans	-88.2	-27.6	178.9	-66.7	-178.6	-179.6	178.2	0	112.7	D612	K591-D612 HydrophobicContact CB-CB 4.23Å; K591-D612 PolarHBondContact N-OD2 3.03Å
592	L	94.6	Very high	92.7	Very high	84 Å²	84	55 Å²	55	44%	0.44	27%	0.271	S	S	.	.	S	Bend	trans	-128.2	165.1	-179.4	-67.4	178.6	0	0	0	109.9	S610 A611 D612	L592-S610 PolarHBondContact O-OG 3.26Å; L592-A611 HydrophobicContact CB-CB 3.97Å; L592-A611 HydrophobicContact CD1-CB 4.15Å; L592-D612 HydrophobicContact CB-CB 4.1Å; L592-D612 HydrophobicContact CD1-CB 4.41Å; L592-D612 HydrophobicContact CG-CB 4.31Å
593	P	93.9	Very high	92.7	Very high	31 Å²	31	49.5 Å²	49.5	20%	0.201	25%	0.25	C	S	.	.			trans	-56	142.5	-175.7	-27.3	35.2	0	0	0	113.2	L553 L569 L595 S610 A611	L553-P593 HydrophobicContact CD1-CB 3.87Å; L569-P593 HydrophobicContact CD1-CB 4.15Å; L569-P593 HydrophobicContact CD1-CG 3.95Å; L569-P593 WeakPolarHBondContact O-CG 3.39Å; P593-L595 PolarHBondContact O-N 2.73Å; P593-S610 PolarHBondContact O-OG 3.28Å; P593-S610 VanDerWaalsContact O-OG 3.08Å; P593-A611 PolarHBondContact O-N 2.74Å
594	V	94.9	Very high	92.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	106.9	177.7	179	0	0	0	0	108.5	S567 V573 H590 C596 T608 G609	S567-V594 WeakPolarHBondContact CB-O 3.49Å; S567-V594 PolarHBondContact OG-O 2.82Å; S567-V594 VanDerWaalsContact OG-O 3.12Å; V573-V594 HydrophobicContact CG2-CB 4.15Å; V573-V594 HydrophobicContact CG2-CG1 4.01Å; V573-V594 HydrophobicContact CG2-CG2 4.02Å; H590-V594 HydrophobicContact CB-CG2 4.11Å; H590-V594 WeakPolarHBondContact CD2-CG2 3.37Å; V594-C596 WeakPolarHBondContact CG1-O 3.27Å; V594-T608 HydrophobicContact CG1-CG2 4.43Å; V594-G609 WeakPolarHBondContact CG1-O 3.19Å
595	L	93.5	Very high	92.6	Very high	56 Å²	56	44 Å²	44	29%	0.293	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-36.8	-175.3	-63.9	179.1	0	0	0	112	L553 P593 G609 A611 V636 M637	L553-L595 HydrophobicContact CD1-CD2 4.37Å; P593-L595 PolarHBondContact O-N 2.73Å; L595-G609 PolarHBondContact N-O 3.3Å; L595-A611 HydrophobicContact CD1-CB 4.04Å; L595-A611 HydrophobicContact CG-CB 4.34Å; L595-V636 WeakPolarHBondContact CD1-O 3.47Å; L595-M637 HydrophobicContact CD1-CE 4.34Å; L595-M637 HydrophobicContact CD1-SD 3.98Å
596	C	92.8	Very high	92.7	Very high	4 Å²	4	42.5 Å²	42.5	3%	0.027	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	149.1	-176.5	57	0	0	0	0	111.6	V594 G609 F638 L639	V594-C596 WeakPolarHBondContact CG1-O 3.27Å; C596-G609 PolarHBondContact N-O 3.12Å; C596-G609 VanDerWaalsContact N-O 3.16Å; C596-G609 PolarHBondContact O-N 2.8Å; C596-F638 VanDerWaalsContact SG-C 3.57Å; C596-L639 HydrophobicContact CB-CB 4.23Å
597	L	94.7	Very high	92.7	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	147.8	175.8	70.4	94.1	0	0	0	109.5	C554 K556 A565 I606 A607 T608	C554-L597 HydrophobicContact CB-CD2 3.9Å; C554-L597 HydrophobicContact CB-CG 4.1Å; C554-L597 WeakPolarHBondContact O-CD2 3.25Å; K556-L597 HydrophobicContact CB-CD1 3.51Å; K556-L597 HydrophobicContact CG-CD1 3.65Å; K556-L597 HydrophobicContact CG-CG 4.42Å; K556-L597 WeakPolarHBondContact CG-O 3.44Å; A565-L597 HydrophobicContact CB-CD1 3.8Å; L597-I606 HydrophobicContact CD1-CD1 4.47Å; L597-A607 WeakPolarHBondContact CA-O 3.39Å; L597-T608 HydrophobicContact CB-CG2 4.42Å
598	D	94.9	Very high	92.8	Very high	16 Å²	16	40.5 Å²	40.5	9%	0.086	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	151.4	169.8	-152.5	30.8	0	0	0	111.2	K556 I606 A607 L639 Q640 F641	K556-D598 IonicContact NZ-OD1 3.86Å; K556-D598 PolarHBondContact NZ-OD1 2.91Å; D598-I606 WeakPolarHBondContact O-CG1 3.49Å; D598-A607 PolarHBondContact N-O 2.85Å; D598-A607 PolarHBondContact O-N 2.89Å; D598-L639 HydrophobicContact CB-CD2 3.5Å; D598-Q640 VanDerWaalsContact OD2-CA 3.32Å; D598-Q640 WeakPolarHBondContact OD2-CA 3.45Å; D598-F641 HydrophobicContact CB-CD2 3.88Å; D598-F641 HydrophobicContact CB-CE2 4.41Å; D598-F641 WeakPolarHBondContact O-CE2 3.15Å; D598-F641 PolarHBondContact OD2-N 2.9Å
599	I	93.8	Very high	92.9	Very high	8 Å²	8	33.2 Å²	33.2	4%	0.041	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	139.9	-179	-59.6	171.9	0	0	0	108.4	A565 I606 L620	A565-I599 HydrophobicContact CB-CD1 3.96Å; I599-I606 HydrophobicContact CG1-CB 4.28Å; I599-I606 HydrophobicContact CG1-CD1 4.07Å; I599-I606 HydrophobicContact CG1-CG1 3.96Å; I599-L620 HydrophobicContact CD1-CD1 4.38Å; I599-L620 HydrophobicContact CG2-CD1 4.28Å
600	T	93.1	Very high	93.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.			trans	-62.7	157.6	175.3	43.3	0	0	0	0	113.2	P559 D602 S603 A604 L605 F641	P559-T600 WeakPolarHBondContact CD-O 3.08Å; P559-T600 WeakPolarHBondContact CG-O 3.23Å; T600-D602 VanDerWaalsContact C-N 3.27Å; T600-D602 WeakPolarHBondContact CB-OD1 3.38Å; T600-D602 PolarHBondContact O-N 2.89Å; T600-D602 PolarHBondContact OG1-OD1 2.81Å; T600-S603 PolarHBondContact O-N 3.46Å; T600-A604 PolarHBondContact OG1-N 3.01Å; T600-L605 HydrophobicContact CG2-CB 3.7Å; T600-L605 HydrophobicContact CG2-CD1 4.43Å; T600-L605 PolarHBondContact N-O 2.86Å; T600-L605 WeakPolarHBondContact OG1-CA 3.45Å; T600-L605 PolarHBondContact OG1-N 2.75Å; T600-L605 PolarHBondContact OG1-O 3.33Å; T600-F641 HydrophobicContact CG2-CD1 3.67Å; T600-F641 HydrophobicContact CG2-CD2 4.13Å; T600-F641 HydrophobicContact CG2-CE1 3.34Å; T600-F641 HydrophobicContact CG2-CE2 3.83Å; T600-F641 HydrophobicContact CG2-CG 4.07Å; T600-F641 HydrophobicContact CG2-CZ 3.43Å; T600-F641 VanDerWaalsContact CG2-CZ 3.43Å
601	H	87.4	Confident	93.3	Very high	103 Å²	103	31.4 Å²	31.4	48%	0.477	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-30.3	-177.1	-165.4	63.5	0	0	0	113.7	S603	H601-S603 VanDerWaalsContact C-N 3.29Å
602	D	89.9	Confident	93.3	Very high	69 Å²	69	23.7 Å²	23.7	37%	0.369	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-0.8	176.3	66.4	-18.8	0	0	0	113.1	T600 A604 H646	T600-D602 VanDerWaalsContact C-N 3.27Å; T600-D602 WeakPolarHBondContact CB-OD1 3.38Å; T600-D602 PolarHBondContact O-N 2.89Å; T600-D602 PolarHBondContact OG1-OD1 2.81Å; D602-A604 PolarHBondContact O-N 3.28Å; D602-A604 PolarHBondContact OD1-N 2.87Å; D602-A604 VanDerWaalsContact OD2-CB 3.32Å; D602-A604 WeakPolarHBondContact OD2-CB 3.41Å; D602-H646 IonicContact OD1-NE2 3.77Å; D602-H646 IonicContact OD2-CE1 3.09Å; D602-H646 PolarHBondContact OD2-CE1 3.31Å; D602-H646 IonicContact OD2-NE2 3.82Å; D602-H646 PolarHBondContact OD2-NE2 3.19Å
603	S	90.3	Very high	93.3	Very high	23 Å²	23	25.5 Å²	25.5	16%	0.161	14%	0.136	C	C	.	.	S	Bend	trans	61.2	12.6	-176.1	76.3	0	0	0	0	116	D560 T600 H601 L620	D560-S603 PolarHBondContact OD2-OG 3.02Å; T600-S603 PolarHBondContact O-N 3.46Å; H601-S603 VanDerWaalsContact C-N 3.29Å; S603-L620 VanDerWaalsContact O-CD2 3.23Å; S603-L620 WeakPolarHBondContact O-CD2 3Å
604	A	91.2	Very high	93.3	Very high	34 Å²	34	25.8 Å²	25.8	28%	0.281	14%	0.135	S	C	.	.	S	Bend	trans	-81.4	-37.3	-176.7	0	0	0	0	0	113.1	T600 D602 L620	T600-A604 PolarHBondContact OG1-N 3.01Å; D602-A604 PolarHBondContact O-N 3.28Å; D602-A604 PolarHBondContact OD1-N 2.87Å; D602-A604 VanDerWaalsContact OD2-CB 3.32Å; D602-A604 WeakPolarHBondContact OD2-CB 3.41Å; A604-L620 WeakPolarHBondContact O-CB 3.4Å; A604-L620 PolarHBondContact O-N 3.43Å
605	L	93.1	Very high	93.3	Very high	17 Å²	17	25.8 Å²	25.8	9%	0.089	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	144.9	-176.2	-57.2	170.2	0	0	0	111.8	T600 I617 W618 H626 A662	T600-L605 HydrophobicContact CG2-CB 3.7Å; T600-L605 HydrophobicContact CG2-CD1 4.43Å; T600-L605 PolarHBondContact N-O 2.86Å; T600-L605 WeakPolarHBondContact OG1-CA 3.45Å; T600-L605 PolarHBondContact OG1-N 2.75Å; T600-L605 PolarHBondContact OG1-O 3.33Å; L605-I617 HydrophobicContact CB-CG2 4.46Å; L605-I617 HydrophobicContact CD2-CG2 4.17Å; L605-W618 WeakPolarHBondContact CA-O 3.38Å; L605-H626 VanDerWaalsContact CD2-CD2 3.5Å; L605-H626 WeakPolarHBondContact CD2-CD2 3.42Å; L605-A662 HydrophobicContact CD1-CB 4Å
606	I	94.6	Very high	93.4	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	134.9	167.2	-175.6	175.2	0	0	0	109.3	A565 V573 L587 L597 D598 I599 T608 I617 W618	A565-I606 HydrophobicContact CB-CD1 3.61Å; V573-I606 HydrophobicContact CG1-CD1 4.41Å; L587-I606 HydrophobicContact CD1-CG2 3.96Å; L597-I606 HydrophobicContact CD1-CD1 4.47Å; D598-I606 WeakPolarHBondContact O-CG1 3.49Å; I599-I606 HydrophobicContact CG1-CB 4.28Å; I599-I606 HydrophobicContact CG1-CD1 4.07Å; I599-I606 HydrophobicContact CG1-CG1 3.96Å; I606-T608 HydrophobicContact CD1-CG2 4.45Å; I606-T608 HydrophobicContact CG1-CG2 4.32Å; I606-I617 WeakPolarHBondContact O-CA 3.33Å; I606-W618 HydrophobicContact CG2-CB 3.58Å; I606-W618 HydrophobicContact CG2-CG 4.08Å; I606-W618 PolarHBondContact N-O 2.82Å; I606-W618 PolarHBondContact O-N 3.16Å
607	A	95.1	Very high	93.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.5	173.9	0	0	0	0	0	109.9	L597 D598 V615 K616 I617 L639 F641	L597-A607 WeakPolarHBondContact CA-O 3.39Å; D598-A607 PolarHBondContact N-O 2.85Å; D598-A607 PolarHBondContact O-N 2.89Å; A607-V615 HydrophobicContact CB-CG1 4.41Å; A607-K616 WeakPolarHBondContact CA-O 3.29Å; A607-I617 HydrophobicContact CB-CG1 4.36Å; A607-L639 HydrophobicContact CB-CD1 3.74Å; A607-L639 HydrophobicContact CB-CD2 3.79Å; A607-L639 HydrophobicContact CB-CG 4.44Å; A607-F641 HydrophobicContact CB-CE2 3.66Å; A607-F641 HydrophobicContact CB-CZ 3.69Å
608	T	95.3	Very high	93.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120.2	-176.5	57.2	0	0	0	0	110	V573 H590 V594 L597 I606 V615 K616 W618	V573-T608 HydrophobicContact CG2-CG2 3.94Å; H590-T608 PolarHBondContact NE2-OG1 2.82Å; V594-T608 HydrophobicContact CG1-CG2 4.43Å; L597-T608 HydrophobicContact CB-CG2 4.42Å; I606-T608 HydrophobicContact CD1-CG2 4.45Å; I606-T608 HydrophobicContact CG1-CG2 4.32Å; T608-V615 CarbonylContact O-C 3.52Å; T608-V615 VanDerWaalsContact O-CA 3.31Å; T608-V615 WeakPolarHBondContact O-CA 3.49Å; T608-K616 PolarHBondContact N-O 2.79Å; T608-K616 PolarHBondContact O-N 2.92Å; T608-K616 PolarHBondContact OG1-O 3.24Å; T608-W618 PolarHBondContact OG1-NE1 2.88Å
609	G	94.6	Very high	93.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.1	177	0	0	0	0	0	111.3	V594 L595 C596	V594-G609 WeakPolarHBondContact CG1-O 3.19Å; L595-G609 PolarHBondContact N-O 3.3Å; C596-G609 PolarHBondContact N-O 3.12Å; C596-G609 VanDerWaalsContact N-O 3.16Å; C596-G609 PolarHBondContact O-N 2.8Å
610	S	94.9	Very high	93.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	163.1	-175.7	168.7	0	0	0	0	112.4	H590 L592 P593 D612 R613 N614 V636	H590-S610 VanDerWaalsContact ND1-CB 3.33Å; H590-S610 WeakPolarHBondContact ND1-CB 3.22Å; L592-S610 PolarHBondContact O-OG 3.26Å; P593-S610 PolarHBondContact O-OG 3.28Å; P593-S610 VanDerWaalsContact O-OG 3.08Å; S610-D612 VanDerWaalsContact CB-OD1 3.23Å; S610-D612 WeakPolarHBondContact CB-OD1 3.27Å; S610-D612 PolarHBondContact O-N 2.84Å; S610-D612 VanDerWaalsContact OG-CG 3.27Å; S610-D612 PolarHBondContact OG-N 2.8Å; S610-D612 VanDerWaalsContact OG-N 3.11Å; S610-D612 PolarHBondContact OG-OD1 2.89Å; S610-R613 PolarHBondContact O-N 3.28Å; S610-N614 PolarHBondContact N-O 2.82Å; S610-V636 PolarHBondContact O-N 3.27Å
611	A	94.4	Very high	93.1	Very high	27 Å²	27	29.5 Å²	29.5	22%	0.223	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-12.5	167.6	0	0	0	0	0	113.1	L592 P593 L595 R613	L592-A611 HydrophobicContact CB-CB 3.97Å; L592-A611 HydrophobicContact CD1-CB 4.15Å; P593-A611 PolarHBondContact O-N 2.74Å; L595-A611 HydrophobicContact CD1-CB 4.04Å; L595-A611 HydrophobicContact CG-CB 4.34Å; A611-R613 PolarHBondContact O-N 2.84Å; A611-R613 VanDerWaalsContact O-N 3.14Å
612	D	92.6	Very high	93.1	Very high	22 Å²	22	32.7 Å²	32.7	12%	0.118	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	5.9	173.2	70.2	10.1	0	0	0	114.2	H590 K591 L592 S610 N614	H590-D612 IonicContact CG-OD2 3.38Å; H590-D612 IonicContact ND1-OD1 2.92Å; H590-D612 IonicContact ND1-OD2 3.8Å; H590-D612 PolarHBondContact ND1-OD2 3.28Å; H590-D612 VanDerWaalsContact ND1-OD2 3.09Å; K591-D612 HydrophobicContact CB-CB 4.23Å; K591-D612 PolarHBondContact N-OD2 3.03Å; L592-D612 HydrophobicContact CB-CB 4.1Å; L592-D612 HydrophobicContact CD1-CB 4.41Å; L592-D612 HydrophobicContact CG-CB 4.31Å; S610-D612 VanDerWaalsContact CB-OD1 3.23Å; S610-D612 WeakPolarHBondContact CB-OD1 3.27Å; S610-D612 PolarHBondContact O-N 2.84Å; S610-D612 VanDerWaalsContact OG-CG 3.27Å; S610-D612 PolarHBondContact OG-N 2.8Å; S610-D612 VanDerWaalsContact OG-N 3.11Å; S610-D612 PolarHBondContact OG-OD1 2.89Å; D612-N614 PolarHBondContact O-N 2.76Å; D612-N614 WeakPolarHBondContact OD1-CB 3.47Å; D612-N614 PolarHBondContact OD1-N 2.78Å
613	R	94	Very high	93	Very high	122 Å²	122	30.3 Å²	30.3	46%	0.46	16%	0.158	S	C	.	.	S	Bend	trans	73.6	-2.4	178.4	-45.3	171	-179.7	166.4	0.1	114.1	S610 A611 F630 A631 H632 D633	S610-R613 PolarHBondContact O-N 3.28Å; A611-R613 PolarHBondContact O-N 2.84Å; A611-R613 VanDerWaalsContact O-N 3.14Å; R613-F630 HydrophobicContact CB-CE2 4.2Å; R613-A631 PolarHBondContact O-N 2.98Å; R613-H632 WeakPolarHBondContact CB-O 3.26Å; R613-H632 PolarHBondContact O-N 3.27Å; R613-D633 VanDerWaalsContact CD-O 3.26Å; R613-D633 WeakPolarHBondContact CD-O 3.43Å; R613-D633 PolarHBondContact NE-O 3.09Å
614	N	94.2	Very high	93.1	Very high	37 Å²	37	32.6 Å²	32.6	20%	0.198	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	153.4	-179	-64.2	-20.5	0	0	0	111.5	S610 D612 L629 F630	S610-N614 PolarHBondContact N-O 2.82Å; D612-N614 PolarHBondContact O-N 2.76Å; D612-N614 WeakPolarHBondContact OD1-CB 3.47Å; D612-N614 PolarHBondContact OD1-N 2.78Å; N614-L629 CarbonylContact C-O 3.57Å; N614-L629 VanDerWaalsContact CA-O 3.23Å; N614-L629 WeakPolarHBondContact CA-O 3.28Å; N614-L629 WeakPolarHBondContact CB-O 3.22Å; N614-F630 WeakPolarHBondContact OD1-CA 3.37Å; N614-F630 VanDerWaalsContact OD1-CD2 3.26Å; N614-F630 WeakPolarHBondContact OD1-CD2 3.49Å
615	V	95.5	Very high	93.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.7	164.4	177.4	0	0	0	0	108.1	A607 T608 L629 A631 V636 L639 F648 T650	A607-V615 HydrophobicContact CB-CG1 4.41Å; T608-V615 CarbonylContact O-C 3.52Å; T608-V615 VanDerWaalsContact O-CA 3.31Å; T608-V615 WeakPolarHBondContact O-CA 3.49Å; V615-L629 PolarHBondContact N-O 2.99Å; V615-L629 PolarHBondContact O-N 2.85Å; V615-A631 HydrophobicContact CB-CB 4.34Å; V615-A631 HydrophobicContact CG2-CB 3.76Å; V615-V636 HydrophobicContact CG2-CG1 4.18Å; V615-V636 HydrophobicContact CG2-CG2 4.11Å; V615-L639 HydrophobicContact CG1-CD1 3.68Å; V615-L639 HydrophobicContact CG2-CD1 4.3Å; V615-F648 HydrophobicContact CG1-CE2 4.02Å; V615-F648 HydrophobicContact CG1-CZ 4.32Å; V615-T650 HydrophobicContact CG2-CG2 3.86Å
616	K	95.2	Very high	93.1	Very high	29 Å²	29	37.1 Å²	37.1	13%	0.126	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	139.1	173.4	-66.8	-172.5	179.5	-150.3	0	109.9	G589 A607 T608 W618	G589-K616 VanDerWaalsContact C-NZ 3.26Å; G589-K616 WeakPolarHBondContact O-CE 3.39Å; G589-K616 PolarHBondContact O-NZ 3.32Å; A607-K616 WeakPolarHBondContact CA-O 3.29Å; T608-K616 PolarHBondContact N-O 2.79Å; T608-K616 PolarHBondContact O-N 2.92Å; T608-K616 PolarHBondContact OG1-O 3.24Å; K616-W618 HydrophobicContact CB-CZ2 3.92Å; K616-W618 HydrophobicContact CD-CH2 4.16Å; K616-W618 HydrophobicContact CD-CZ2 3.56Å; K616-W618 HydrophobicContact CG-CZ2 4.41Å
617	I	95.6	Very high	93	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.9	175.7	-63.8	159.1	0	0	0	107.7	L605 I606 A607 H626 R627 L629 F648 A662 F665	L605-I617 HydrophobicContact CB-CG2 4.46Å; L605-I617 HydrophobicContact CD2-CG2 4.17Å; I606-I617 WeakPolarHBondContact O-CA 3.33Å; A607-I617 HydrophobicContact CB-CG1 4.36Å; I617-H626 PolarHBondContact O-N 3.15Å; I617-R627 PolarHBondContact N-O 2.77Å; I617-L629 HydrophobicContact CD1-CD1 3.76Å; I617-F648 HydrophobicContact CD1-CE1 3.91Å; I617-F648 HydrophobicContact CD1-CZ 4Å; I617-F648 HydrophobicContact CG1-CZ 4.47Å; I617-A662 HydrophobicContact CD1-CB 4.32Å; I617-F665 HydrophobicContact CB-CE1 4.12Å; I617-F665 HydrophobicContact CD1-CD1 3.54Å; I617-F665 HydrophobicContact CD1-CE1 3.69Å; I617-F665 HydrophobicContact CG2-CE1 4.05Å
618	W	95	Very high	92.9	Very high	11 Å²	11	46 Å²	46	4%	0.042	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.9	-177.6	-43.7	78	0	0	0	111.2	L587 Y588 L605 I606 T608 K616 D624 C625	L587-W618 HydrophobicContact CB-CD2 4.17Å; L587-W618 HydrophobicContact CB-CE3 4.21Å; L587-W618 HydrophobicContact CB-CH2 4.36Å; L587-W618 HydrophobicContact CB-CZ2 4.26Å; L587-W618 HydrophobicContact CB-CZ3 4.3Å; L587-W618 HydrophobicContact CD1-CB 4.22Å; L587-W618 HydrophobicContact CD1-CD2 4.02Å; L587-W618 HydrophobicContact CD1-CG 3.81Å; L587-W618 HydrophobicContact CD2-CB 4.43Å; L587-W618 HydrophobicContact CD2-CD2 4.1Å; L587-W618 HydrophobicContact CD2-CE3 3.86Å; L587-W618 HydrophobicContact CD2-CG 4.35Å; L587-W618 HydrophobicContact CD2-CZ3 4.5Å; L587-W618 HydrophobicContact CG-CD2 4.32Å; L587-W618 HydrophobicContact CG-CE3 4.44Å; Y588-W618 WeakPolarHBondContact O-CH2 3.48Å; L605-W618 WeakPolarHBondContact CA-O 3.38Å; I606-W618 HydrophobicContact CG2-CB 3.58Å; I606-W618 HydrophobicContact CG2-CG 4.08Å; I606-W618 PolarHBondContact N-O 2.82Å; I606-W618 PolarHBondContact O-N 3.16Å; T608-W618 PolarHBondContact OG1-NE1 2.88Å; K616-W618 HydrophobicContact CB-CZ2 3.92Å; K616-W618 HydrophobicContact CD-CH2 4.16Å; K616-W618 HydrophobicContact CD-CZ2 3.56Å; K616-W618 HydrophobicContact CG-CZ2 4.41Å; W618-D624 CarbonylContact C-O 3.58Å; W618-D624 WeakPolarHBondContact CA-O 3.44Å; W618-C625 HydrophobicContact CD2-CB 4.33Å; W618-C625 HydrophobicContact CE3-CB 3.66Å; W618-C625 HydrophobicContact CH2-CB 4Å; W618-C625 HydrophobicContact CZ3-CB 3.48Å; W618-C625 VanDerWaalsContact CZ3-CB 3.48Å
619	G	93.6	Very high	92.8	Very high	5 Å²	5	46.6 Å²	46.6	5%	0.052	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	126.6	164.6	0	0	0	0	0	109.2	G623 D624 H626	G619-G623 WeakPolarHBondContact O-CA 3.49Å; G619-G623 PolarHBondContact O-N 3.48Å; G619-D624 PolarHBondContact N-O 3.47Å; G619-H626 WeakPolarHBondContact CA-NE2 3.5Å; G619-H626 PolarHBondContact N-CD2 2.97Å
620	L	89.4	Confident	92.7	Very high	11 Å²	11	52.3 Å²	52.3	6%	0.058	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-15.2	-173.3	177.8	147.9	0	0	0	112.7	L563 L585 I599 S603 A604	L563-L620 HydrophobicContact CD1-CD1 4.05Å; L563-L620 HydrophobicContact CD1-CD2 3.06Å; L563-L620 HydrophobicContact CD1-CG 3.84Å; L585-L620 WeakPolarHBondContact CD1-O 3.24Å; I599-L620 HydrophobicContact CD1-CD1 4.38Å; I599-L620 HydrophobicContact CG2-CD1 4.28Å; S603-L620 VanDerWaalsContact O-CD2 3.23Å; S603-L620 WeakPolarHBondContact O-CD2 3Å; A604-L620 WeakPolarHBondContact O-CB 3.4Å; A604-L620 PolarHBondContact O-N 3.43Å
621	D	88.8	Confident	92.4	Very high	107 Å²	107	52.3 Å²	52.3	57%	0.572	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-44.4	174.4	-71.6	-33	0	0	0	113
622	F	87.2	Confident	92.4	Very high	171 Å²	171	51 Å²	51	75%	0.75	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.9	-11.1	-175.1	-58.3	-72.9	0	0	0	113.9
623	G	88.3	Confident	92.3	Very high	18 Å²	18	54.6 Å²	54.6	19%	0.186	27%	0.268	C	S	.	.			trans	75.7	24.3	-175.8	0	0	0	0	0	113.5	G619	G619-G623 WeakPolarHBondContact O-CA 3.49Å; G619-G623 PolarHBondContact O-N 3.48Å
624	D	92.2	Very high	92.3	Very high	72 Å²	72	51.4 Å²	51.4	39%	0.385	26%	0.26	S	S	.	.			trans	-79.5	140.9	177.3	60.7	-42	0	0	0	111.6	W618 G619 H626	W618-D624 CarbonylContact C-O 3.58Å; W618-D624 WeakPolarHBondContact CA-O 3.44Å; G619-D624 PolarHBondContact N-O 3.47Å; D624-H626 PolarHBondContact O-N 3.38Å; D624-H626 IonicContact OD2-CE1 3.95Å
625	C	92.2	Very high	92.3	Very high	56 Å²	56	50.3 Å²	50.3	38%	0.378	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	109.1	175.5	-174.7	0	0	0	0	109	W618	W618-C625 HydrophobicContact CD2-CB 4.33Å; W618-C625 HydrophobicContact CE3-CB 3.66Å; W618-C625 HydrophobicContact CH2-CB 4Å; W618-C625 HydrophobicContact CZ3-CB 3.48Å; W618-C625 VanDerWaalsContact CZ3-CB 3.48Å
626	H	91.8	Very high	92.3	Very high	90 Å²	90	50.3 Å²	50.3	42%	0.417	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	-51.5	174	-73	-60.8	0	0	0	111.2	L605 I617 G619 D624 F665	L605-H626 VanDerWaalsContact CD2-CD2 3.5Å; L605-H626 WeakPolarHBondContact CD2-CD2 3.42Å; I617-H626 PolarHBondContact O-N 3.15Å; G619-H626 WeakPolarHBondContact CA-NE2 3.5Å; G619-H626 PolarHBondContact N-CD2 2.97Å; D624-H626 PolarHBondContact O-N 3.38Å; D624-H626 IonicContact OD2-CE1 3.95Å; H626-F665 HydrophobicContact CB-CE1 3.97Å; H626-F665 HydrophobicContact CB-CZ 3.67Å
627	R	92.4	Very high	92.3	Very high	130 Å²	130	50.5 Å²	50.5	49%	0.491	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	148.9	179.8	-152.8	165.6	-177.7	169.4	-2.1	112.6	I617 L629 F665	I617-R627 PolarHBondContact N-O 2.77Å; R627-L629 HydrophobicContact CG-CD2 4.39Å; R627-F665 HydrophobicContact CB-CD1 3.82Å; R627-F665 HydrophobicContact CB-CE1 4.05Å; R627-F665 HydrophobicContact CB-CG 4.13Å
628	S	93.3	Very high	92.2	Very high	57 Å²	57	53.2 Å²	53.2	40%	0.399	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.1	167	-171.7	0	0	0	0	108.7
629	L	92.8	Very high	92.2	Very high	13 Å²	13	52.8 Å²	52.8	7%	0.068	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126.6	-179.3	-63.1	174.2	0	0	0	109.5	N614 V615 I617 R627 A631 F648 W660 F665	N614-L629 CarbonylContact C-O 3.57Å; N614-L629 VanDerWaalsContact CA-O 3.23Å; N614-L629 WeakPolarHBondContact CA-O 3.28Å; N614-L629 WeakPolarHBondContact CB-O 3.22Å; V615-L629 PolarHBondContact N-O 2.99Å; V615-L629 PolarHBondContact O-N 2.85Å; I617-L629 HydrophobicContact CD1-CD1 3.76Å; R627-L629 HydrophobicContact CG-CD2 4.39Å; L629-A631 PolarHBondContact O-N 3.49Å; L629-F648 HydrophobicContact CD1-CZ 4.28Å; L629-W660 HydrophobicContact CD1-CD2 4.46Å; L629-W660 HydrophobicContact CD1-CE3 4Å; L629-W660 HydrophobicContact CD1-CZ3 4.38Å; L629-F665 HydrophobicContact CD2-CB 4.21Å
630	F	92.6	Very high	92.2	Very high	120 Å²	120	54.4 Å²	54.4	53%	0.526	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	100.2	166.5	-175.3	-95.7	0	0	0	107.7	R613 N614 H632	R613-F630 HydrophobicContact CB-CE2 4.2Å; N614-F630 WeakPolarHBondContact OD1-CA 3.37Å; N614-F630 VanDerWaalsContact OD1-CD2 3.26Å; N614-F630 WeakPolarHBondContact OD1-CD2 3.49Å; F630-H632 WeakPolarHBondContact CE1-O 3.42Å; F630-H632 WeakPolarHBondContact CZ-O 3.31Å
631	A	90.1	Very high	92.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.273	C	S	.	.			trans	-91.5	-46.3	-167.3	0	0	0	0	0	112	R613 V615 L629 V636 K658 W660	R613-A631 PolarHBondContact O-N 2.98Å; V615-A631 HydrophobicContact CB-CB 4.34Å; V615-A631 HydrophobicContact CG2-CB 3.76Å; L629-A631 PolarHBondContact O-N 3.49Å; A631-V636 HydrophobicContact CB-CG2 4.45Å; A631-K658 WeakPolarHBondContact O-CD 3.21Å; A631-K658 WeakPolarHBondContact O-CE 3.39Å; A631-K658 PolarHBondContact O-NZ 3.2Å; A631-W660 HydrophobicContact CB-CZ2 3.82Å
632	H	93.3	Very high	92.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.247	C	C	.	.			trans	-133.2	161	-170.7	-74.8	-85	0	0	0	111.4	R613 F630 D634 V636 T650 G652 D654 K656	R613-H632 WeakPolarHBondContact CB-O 3.26Å; R613-H632 PolarHBondContact O-N 3.27Å; F630-H632 WeakPolarHBondContact CE1-O 3.42Å; F630-H632 WeakPolarHBondContact CZ-O 3.31Å; H632-D634 VanDerWaalsContact C-N 3.28Å; H632-D634 VanDerWaalsContact CB-O 3.25Å; H632-D634 WeakPolarHBondContact CB-O 3.45Å; H632-V636 HydrophobicContact CB-CG2 4.36Å; H632-T650 WeakPolarHBondContact NE2-CB 3.25Å; H632-T650 PolarHBondContact NE2-O 2.83Å; H632-T650 PolarHBondContact NE2-OG1 3.24Å; H632-G652 PolarHBondContact CE1-N 3.5Å; H632-D654 WeakPolarHBondContact CA-OD2 3.26Å; H632-D654 VanDerWaalsContact CB-OD2 3.27Å; H632-D654 WeakPolarHBondContact CB-OD2 3.44Å; H632-D654 IonicContact CE1-OD1 2.84Å; H632-D654 IonicContact CG-OD1 3.39Å; H632-D654 IonicContact CG-OD2 3.28Å; H632-D654 VanDerWaalsContact ND1-CG 3.26Å; H632-D654 IonicContact ND1-OD1 3.04Å; H632-D654 PolarHBondContact ND1-OD1 2.81Å; H632-D654 IonicContact ND1-OD2 3.97Å; H632-D654 PolarHBondContact ND1-OD2 3.41Å; H632-K656 PolarHBondContact CE1-O 3.11Å; H632-K656 VanDerWaalsContact CE1-O 3.24Å
633	D	91.4	Very high	92.7	Very high	97 Å²	97	43.2 Å²	43.2	52%	0.519	22%	0.224	S	C	.	.	S	Bend	trans	-79.8	-16.9	176.2	-63.4	-37.5	0	0	0	112.3	R613 D654	R613-D633 VanDerWaalsContact CD-O 3.26Å; R613-D633 WeakPolarHBondContact CD-O 3.43Å; R613-D633 PolarHBondContact NE-O 3.09Å; D633-D654 HydrophobicContact CB-CB 4.28Å; D633-D654 PolarHBondContact N-OD2 3.19Å; D633-D654 VanDerWaalsContact N-OD2 3.13Å
634	D	93.9	Very high	92.7	Very high	55 Å²	55	50.6 Å²	50.6	29%	0.294	25%	0.25	S	S	.	.	S	Bend	trans	-133.9	-179.4	175.6	-157.7	-0.6	0	0	0	110.7	H632 K653 D654	H632-D634 VanDerWaalsContact C-N 3.28Å; H632-D634 VanDerWaalsContact CB-O 3.25Å; H632-D634 WeakPolarHBondContact CB-O 3.45Å; D634-K653 HydrophobicContact CB-CB 4Å; D634-K653 VanDerWaalsContact OD2-CD 3.29Å; D634-K653 WeakPolarHBondContact OD2-CD 3.39Å; D634-K653 WeakPolarHBondContact OD2-CG 3.46Å; D634-D654 HydrophobicContact CB-CB 4.19Å
635	S	94.3	Very high	92.6	Very high	14 Å²	14	49.1 Å²	49.1	10%	0.098	24%	0.244	C	C	.	.			trans	-54.5	138.8	-172.6	58.6	0	0	0	0	113.8	M637 K653	S635-M637 PolarHBondContact O-N 3.43Å; S635-M637 PolarHBondContact OG-SD 3.41Å; S635-K653 WeakPolarHBondContact O-CB 3.29Å; S635-K653 PolarHBondContact O-N 2.9Å; S635-K653 WeakPolarHBondContact OG-CB 3.47Å; S635-K653 WeakPolarHBondContact OG-CD 3.39Å
636	V	95.6	Very high	92.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	113.9	174.7	-171.5	0	0	0	0	109.2	L595 S610 V615 A631 H632	L595-V636 WeakPolarHBondContact CD1-O 3.47Å; S610-V636 PolarHBondContact O-N 3.27Å; V615-V636 HydrophobicContact CG2-CG1 4.18Å; V615-V636 HydrophobicContact CG2-CG2 4.11Å; A631-V636 HydrophobicContact CB-CG2 4.45Å; H632-V636 HydrophobicContact CB-CG2 4.36Å
637	M	93.8	Very high	92.5	Very high	34 Å²	34	46.2 Å²	46.2	17%	0.167	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-37.9	-172.1	-61.2	-53.5	-54.8	0	0	112.7	L595 S635 A651 K653 V678 W679	L595-M637 HydrophobicContact CD1-CE 4.34Å; L595-M637 HydrophobicContact CD1-SD 3.98Å; S635-M637 PolarHBondContact O-N 3.43Å; S635-M637 PolarHBondContact OG-SD 3.41Å; M637-A651 PolarHBondContact N-O 3.42Å; M637-K653 HydrophobicContact CG-CB 4.28Å; M637-K653 HydrophobicContact SD-CB 4.48Å; M637-V678 WeakPolarHBondContact CB-O 3.34Å; M637-V678 WeakPolarHBondContact CG-O 3.37Å; M637-W679 HydrophobicContact CE-CE3 3.53Å; M637-W679 HydrophobicContact CE-CH2 4.24Å; M637-W679 HydrophobicContact CE-CZ3 3.26Å
638	F	94	Very high	92.6	Very high	56 Å²	56	40 Å²	40	25%	0.246	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	148.2	-176.4	-150.7	-96.3	0	0	0	111.5	C596 Q640 A651 L681	C596-F638 VanDerWaalsContact SG-C 3.57Å; F638-Q640 HydrophobicContact CE1-CB 4.31Å; F638-A651 HydrophobicContact CB-CB 4.09Å; F638-A651 PolarHBondContact N-O 3.33Å; F638-A651 PolarHBondContact O-N 3.49Å; F638-L681 HydrophobicContact CD1-CB 3.98Å; F638-L681 VanDerWaalsContact CD1-O 3.28Å; F638-L681 WeakPolarHBondContact CD1-O 3.38Å; F638-L681 WeakPolarHBondContact CE1-O 3.4Å
639	L	95.1	Very high	92.8	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	135.1	179.2	-172.5	152.7	0	0	0	108.8	C596 D598 A607 V615 F641 F648 F649 T650	C596-L639 HydrophobicContact CB-CB 4.23Å; D598-L639 HydrophobicContact CB-CD2 3.5Å; A607-L639 HydrophobicContact CB-CD1 3.74Å; A607-L639 HydrophobicContact CB-CD2 3.79Å; A607-L639 HydrophobicContact CB-CG 4.44Å; V615-L639 HydrophobicContact CG1-CD1 3.68Å; V615-L639 HydrophobicContact CG2-CD1 4.3Å; L639-F641 HydrophobicContact CD2-CE2 4.42Å; L639-F648 HydrophobicContact CD1-CD2 4.16Å; L639-F648 HydrophobicContact CD1-CE2 4.28Å; L639-F648 HydrophobicContact CD2-CD2 4.49Å; L639-F648 HydrophobicContact CG-CD2 4.17Å; L639-F649 WeakPolarHBondContact CA-O 3.38Å; L639-T650 HydrophobicContact CD1-CG2 4.18Å; L639-T650 HydrophobicContact CG-CG2 4.4Å
640	Q	94.7	Very high	92.9	Very high	39 Å²	39	36.7 Å²	36.7	18%	0.182	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	136.2	173.4	-161.6	-178.5	0.1	0	0	112.2	D598 F638 F648 F649 L681 A682 I683	D598-Q640 VanDerWaalsContact OD2-CA 3.32Å; D598-Q640 WeakPolarHBondContact OD2-CA 3.45Å; F638-Q640 HydrophobicContact CE1-CB 4.31Å; Q640-F648 WeakPolarHBondContact O-CA 3.37Å; Q640-F648 WeakPolarHBondContact O-CB 3.49Å; Q640-F649 PolarHBondContact N-O 3.24Å; Q640-F649 VanDerWaalsContact N-O 3.11Å; Q640-F649 PolarHBondContact O-N 2.91Å; Q640-L681 HydrophobicContact CB-CD2 4.02Å; Q640-A682 VanDerWaalsContact OE1-CA 3.29Å; Q640-I683 HydrophobicContact CB-CD1 3.7Å; Q640-I683 HydrophobicContact CB-CG1 4.37Å; Q640-I683 HydrophobicContact CG-CD1 3.8Å; Q640-I683 HydrophobicContact CG-CG1 4.38Å; Q640-I683 WeakPolarHBondContact O-CD1 3.46Å
641	F	94.6	Very high	93	Very high	10 Å²	10	31 Å²	31	4%	0.044	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	144.5	170.9	-81.2	-79.3	0	0	0	111.8	D598 T600 A607 L639 L647 F648 A662 I683	D598-F641 HydrophobicContact CB-CD2 3.88Å; D598-F641 HydrophobicContact CB-CE2 4.41Å; D598-F641 WeakPolarHBondContact O-CE2 3.15Å; D598-F641 PolarHBondContact OD2-N 2.9Å; T600-F641 HydrophobicContact CG2-CD1 3.67Å; T600-F641 HydrophobicContact CG2-CD2 4.13Å; T600-F641 HydrophobicContact CG2-CE1 3.34Å; T600-F641 HydrophobicContact CG2-CE2 3.83Å; T600-F641 HydrophobicContact CG2-CG 4.07Å; T600-F641 HydrophobicContact CG2-CZ 3.43Å; T600-F641 VanDerWaalsContact CG2-CZ 3.43Å; A607-F641 HydrophobicContact CB-CE2 3.66Å; A607-F641 HydrophobicContact CB-CZ 3.69Å; L639-F641 HydrophobicContact CD2-CE2 4.42Å; F641-L647 WeakPolarHBondContact CD1-O 3.37Å; F641-F648 HydrophobicContact CD1-CB 3.61Å; F641-F648 HydrophobicContact CD1-CD1 4.41Å; F641-F648 HydrophobicContact CD1-CG 4.42Å; F641-F648 HydrophobicContact CE1-CB 3.74Å; F641-F648 AromaticContact CE1-CD1 3.73Å; F641-F648 HydrophobicContact CE1-CD1 3.73Å; F641-F648 HydrophobicContact CE1-CG 4.05Å; F641-F648 HydrophobicContact CG-CB 4.03Å; F641-F648 HydrophobicContact CZ-CB 4.28Å; F641-F648 HydrophobicContact CZ-CD1 4.18Å; F641-F648 HydrophobicContact CZ-CG 4.38Å; F641-A662 HydrophobicContact CE1-CB 4.09Å; F641-I683 WeakPolarHBondContact O-CD1 3.47Å
642	V	92.3	Very high	93.2	Very high	4 Å²	4	31 Å²	31	2%	0.024	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-76.5	123.7	169.3	175.8	0	0	0	0	108.3	T645 L647 F649 I683	V642-T645 VanDerWaalsContact CB-OG1 3.3Å; V642-T645 WeakPolarHBondContact CB-OG1 3.45Å; V642-T645 WeakPolarHBondContact CG1-OG1 3.3Å; V642-T645 PolarHBondContact O-N 3.21Å; V642-T645 VanDerWaalsContact O-O 3.11Å; V642-T645 PolarHBondContact O-OG1 3.01Å; V642-L647 HydrophobicContact CB-CB 4.37Å; V642-L647 HydrophobicContact CG2-CB 4.33Å; V642-L647 PolarHBondContact N-O 3.49Å; V642-F649 HydrophobicContact CG2-CD2 3.87Å; V642-F649 HydrophobicContact CG2-CE2 3.61Å; V642-I683 HydrophobicContact CG2-CD1 3.98Å; V642-I683 HydrophobicContact CG2-CG2 4.4Å
643	P	88.7	Confident	93.2	Very high	40 Å²	40	34.3 Å²	34.3	26%	0.26	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	143.2	-177.7	-26.8	34.5	0	0	0	112.9	T645	P643-T645 PolarHBondContact O-N 3.26Å; P643-T645 VanDerWaalsContact O-N 3.15Å
644	K	87.8	Confident	93.2	Very high	173 Å²	173	30.9 Å²	30.9	75%	0.752	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	5.4	-179	-51.1	175.6	-180	174.1	0	115.8
645	T	89.3	Confident	93.1	Very high	42 Å²	42	32.8 Å²	32.8	26%	0.258	16%	0.158	S	C	.	.	S	Bend	trans	-134	165.8	179.6	72.1	0	0	0	0	111.3	V642 P643 L647	V642-T645 VanDerWaalsContact CB-OG1 3.3Å; V642-T645 WeakPolarHBondContact CB-OG1 3.45Å; V642-T645 WeakPolarHBondContact CG1-OG1 3.3Å; V642-T645 PolarHBondContact O-N 3.21Å; V642-T645 VanDerWaalsContact O-O 3.11Å; V642-T645 PolarHBondContact O-OG1 3.01Å; P643-T645 PolarHBondContact O-N 3.26Å; P643-T645 VanDerWaalsContact O-N 3.15Å; T645-L647 VanDerWaalsContact C-N 3.27Å; T645-L647 PolarHBondContact OG1-N 3.15Å
646	H	91	Very high	93	Very high	47 Å²	47	35.2 Å²	35.2	22%	0.218	17%	0.166	C	C	.	.	S	Bend	trans	-94.4	15.7	176.1	-69.4	-137	0	0	0	111.5	D602 A662 D663	D602-H646 IonicContact OD1-NE2 3.77Å; D602-H646 IonicContact OD2-CE1 3.09Å; D602-H646 PolarHBondContact OD2-CE1 3.31Å; D602-H646 IonicContact OD2-NE2 3.82Å; D602-H646 PolarHBondContact OD2-NE2 3.19Å; H646-A662 HydrophobicContact CB-CB 4.37Å; H646-A662 WeakPolarHBondContact O-CB 3.03Å; H646-A662 PolarHBondContact O-N 3.27Å; H646-D663 IonicContact CE1-OD1 2.69Å; H646-D663 IonicContact CG-OD1 3.22Å; H646-D663 IonicContact ND1-OD1 3.44Å; H646-D663 PolarHBondContact ND1-OD1 3.41Å
647	L	92.4	Very high	93	Very high	37 Å²	37	35.2 Å²	35.2	19%	0.194	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	139.7	177.2	-56.6	-179.3	0	0	0	109.2	Y7 F641 V642 T645 W660 D661 I668	Y7-L647 HydrophobicContact CE1-CD2 4.17Å; F641-L647 WeakPolarHBondContact CD1-O 3.37Å; V642-L647 HydrophobicContact CB-CB 4.37Å; V642-L647 HydrophobicContact CG2-CB 4.33Å; V642-L647 PolarHBondContact N-O 3.49Å; T645-L647 VanDerWaalsContact C-N 3.27Å; T645-L647 PolarHBondContact OG1-N 3.15Å; L647-W660 WeakPolarHBondContact CA-O 3.3Å; L647-D661 HydrophobicContact CD2-CB 4.14Å; L647-I668 HydrophobicContact CD2-CD1 3.54Å
648	F	94.5	Very high	93	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	156.2	175.6	66.1	-82.7	0	0	0	112.2	V615 I617 L629 L639 Q640 F641 T650 W660 A662	V615-F648 HydrophobicContact CG1-CE2 4.02Å; V615-F648 HydrophobicContact CG1-CZ 4.32Å; I617-F648 HydrophobicContact CD1-CE1 3.91Å; I617-F648 HydrophobicContact CD1-CZ 4Å; I617-F648 HydrophobicContact CG1-CZ 4.47Å; L629-F648 HydrophobicContact CD1-CZ 4.28Å; L639-F648 HydrophobicContact CD1-CD2 4.16Å; L639-F648 HydrophobicContact CD1-CE2 4.28Å; L639-F648 HydrophobicContact CD2-CD2 4.49Å; L639-F648 HydrophobicContact CG-CD2 4.17Å; Q640-F648 WeakPolarHBondContact O-CA 3.37Å; Q640-F648 WeakPolarHBondContact O-CB 3.49Å; F641-F648 HydrophobicContact CD1-CB 3.61Å; F641-F648 HydrophobicContact CD1-CD1 4.41Å; F641-F648 HydrophobicContact CD1-CG 4.42Å; F641-F648 HydrophobicContact CE1-CB 3.74Å; F641-F648 AromaticContact CE1-CD1 3.73Å; F641-F648 HydrophobicContact CE1-CD1 3.73Å; F641-F648 HydrophobicContact CE1-CG 4.05Å; F641-F648 HydrophobicContact CG-CB 4.03Å; F641-F648 HydrophobicContact CZ-CB 4.28Å; F641-F648 HydrophobicContact CZ-CD1 4.18Å; F641-F648 HydrophobicContact CZ-CG 4.38Å; F648-T650 HydrophobicContact CD2-CG2 3.74Å; F648-T650 HydrophobicContact CE2-CG2 3.56Å; F648-W660 HydrophobicContact CD1-CB 3.89Å; F648-W660 HydrophobicContact CD2-CB 4.1Å; F648-W660 HydrophobicContact CD2-CG 4.41Å; F648-W660 HydrophobicContact CE1-CB 3.38Å; F648-W660 HydrophobicContact CE1-CG 4.3Å; F648-W660 HydrophobicContact CE2-CB 3.61Å; F648-W660 AromaticContact CE2-CD1 3.58Å; F648-W660 AromaticContact CE2-CG 3.71Å; F648-W660 HydrophobicContact CE2-CG 3.71Å; F648-W660 HydrophobicContact CG-CB 4.23Å; F648-W660 HydrophobicContact CZ-CB 3.23Å; F648-W660 AromaticContact CZ-CG 3.65Å; F648-W660 HydrophobicContact CZ-CG 3.65Å; F648-W660 PolarHBondContact N-O 3.11Å; F648-W660 PolarHBondContact O-N 3.32Å; F648-A662 HydrophobicContact CD1-CB 4.06Å; F648-A662 HydrophobicContact CE1-CB 3.95Å
649	F	95.7	Very high	93	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	142.1	173.8	-73	-81.7	0	0	0	110.6	Y10 L639 Q640 V642 I657 K658 Q659 L671 L681 I683 L690	Y10-F649 HydrophobicContact CD1-CZ 4.23Å; Y10-F649 HydrophobicContact CD2-CE1 4.45Å; Y10-F649 AromaticContact CD2-CZ 3.72Å; Y10-F649 HydrophobicContact CD2-CZ 3.72Å; Y10-F649 HydrophobicContact CE1-CE2 4.37Å; Y10-F649 HydrophobicContact CE1-CZ 4.06Å; Y10-F649 HydrophobicContact CE2-CE2 4.14Å; Y10-F649 AromaticContact CE2-CZ 3.54Å; Y10-F649 HydrophobicContact CE2-CZ 3.54Å; Y10-F649 HydrophobicContact CG-CZ 4.04Å; Y10-F649 AromaticContact CZ-CE2 3.93Å; Y10-F649 AromaticContact CZ-CZ 3.68Å; L639-F649 WeakPolarHBondContact CA-O 3.38Å; Q640-F649 PolarHBondContact N-O 3.24Å; Q640-F649 VanDerWaalsContact N-O 3.11Å; Q640-F649 PolarHBondContact O-N 2.91Å; V642-F649 HydrophobicContact CG2-CD2 3.87Å; V642-F649 HydrophobicContact CG2-CE2 3.61Å; F649-I657 HydrophobicContact CD1-CG2 4.05Å; F649-K658 CarbonylContact C-O 3.53Å; F649-K658 WeakPolarHBondContact CA-O 3.48Å; F649-Q659 HydrophobicContact CD1-CB 3.86Å; F649-Q659 HydrophobicContact CD1-CG 4.11Å; F649-Q659 HydrophobicContact CE1-CB 3.52Å; F649-Q659 HydrophobicContact CE1-CG 3.63Å; F649-Q659 HydrophobicContact CE2-CG 4.41Å; F649-Q659 HydrophobicContact CZ-CB 4.21Å; F649-Q659 HydrophobicContact CZ-CG 3.8Å; F649-L671 HydrophobicContact CD1-CD1 4.49Å; F649-L671 HydrophobicContact CE1-CD1 3.95Å; F649-L681 HydrophobicContact CB-CD1 3.86Å; F649-L681 HydrophobicContact CB-CD2 4.04Å; F649-I683 HydrophobicContact CD2-CD1 3.78Å; F649-I683 HydrophobicContact CD2-CG1 4.18Å; F649-L690 HydrophobicContact CD1-CD2 4.07Å; F649-L690 HydrophobicContact CD2-CD1 4.41Å; F649-L690 HydrophobicContact CE1-CD2 4Å; F649-L690 HydrophobicContact CE2-CD2 4.48Å; F649-L690 HydrophobicContact CG-CD2 4.32Å; F649-L690 HydrophobicContact CZ-CD2 4.21Å
650	T	95.4	Very high	92.9	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	135	172.5	60.6	0	0	0	0	109.2	V615 H632 L639 F648 I657 K658 W660	V615-T650 HydrophobicContact CG2-CG2 3.86Å; H632-T650 WeakPolarHBondContact NE2-CB 3.25Å; H632-T650 PolarHBondContact NE2-O 2.83Å; H632-T650 PolarHBondContact NE2-OG1 3.24Å; L639-T650 HydrophobicContact CD1-CG2 4.18Å; L639-T650 HydrophobicContact CG-CG2 4.4Å; F648-T650 HydrophobicContact CD2-CG2 3.74Å; F648-T650 HydrophobicContact CE2-CG2 3.56Å; T650-I657 CarbonylContact O-C 3.6Å; T650-I657 VanDerWaalsContact O-CA 3.29Å; T650-I657 WeakPolarHBondContact O-CA 3.42Å; T650-K658 PolarHBondContact N-O 3.07Å; T650-K658 PolarHBondContact O-N 3Å; T650-K658 PolarHBondContact OG1-O 3.13Å; T650-W660 PolarHBondContact OG1-NE1 3.27Å
651	A	95	Very high	92.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.5	175.1	0	0	0	0	0	109.7	M637 F638 I657 V678 L681	M637-A651 PolarHBondContact N-O 3.42Å; F638-A651 HydrophobicContact CB-CB 4.09Å; F638-A651 PolarHBondContact N-O 3.33Å; F638-A651 PolarHBondContact O-N 3.49Å; A651-I657 HydrophobicContact CB-CG1 4.46Å; A651-V678 HydrophobicContact CB-CB 4.14Å; A651-V678 HydrophobicContact CB-CG1 3.73Å; A651-L681 HydrophobicContact CB-CB 4.33Å; A651-L681 HydrophobicContact CB-CD1 4.46Å
652	G	94.3	Very high	92.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	157.6	-176.6	0	0	0	0	0	113.9	H632 D654 K655 K656 V678	H632-G652 PolarHBondContact CE1-N 3.5Å; G652-D654 WeakPolarHBondContact CA-OD1 3.24Å; G652-D654 PolarHBondContact O-N 3.09Å; G652-K655 PolarHBondContact O-N 2.87Å; G652-K656 PolarHBondContact N-O 2.85Å; G652-K656 VanDerWaalsContact N-O 3.09Å; G652-V678 PolarHBondContact O-N 2.96Å
653	K	94.1	Very high	92.5	Very high	69 Å²	69	33.9 Å²	33.9	30%	0.3	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-19.1	167.4	-167.2	175.8	173.9	-158.6	0	112.2	D634 S635 M637 K655 E677	D634-K653 HydrophobicContact CB-CB 4Å; D634-K653 VanDerWaalsContact OD2-CD 3.29Å; D634-K653 WeakPolarHBondContact OD2-CD 3.39Å; D634-K653 WeakPolarHBondContact OD2-CG 3.46Å; S635-K653 WeakPolarHBondContact O-CB 3.29Å; S635-K653 PolarHBondContact O-N 2.9Å; S635-K653 WeakPolarHBondContact OG-CB 3.47Å; S635-K653 WeakPolarHBondContact OG-CD 3.39Å; M637-K653 HydrophobicContact CG-CB 4.28Å; M637-K653 HydrophobicContact SD-CB 4.48Å; K653-K655 PolarHBondContact O-N 2.98Å; K653-E677 HydrophobicContact CD-CG 4.43Å; K653-E677 WeakPolarHBondContact CE-OE1 3.37Å; K653-E677 VanDerWaalsContact CE-OE2 3.31Å; K653-E677 WeakPolarHBondContact CE-OE2 3.35Å; K653-E677 HydrophobicContact CG-CB 3.86Å; K653-E677 VanDerWaalsContact CG-CD 3.41Å; K653-E677 HydrophobicContact CG-CG 3.46Å; K653-E677 VanDerWaalsContact CG-CG 3.46Å; K653-E677 IonicContact NZ-OE1 3.76Å
654	D	91.1	Very high	92.4	Very high	26 Å²	26	36.6 Å²	36.6	14%	0.139	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	7	171.6	68.1	-4.6	0	0	0	114.5	H632 D633 D634 G652 K656	H632-D654 WeakPolarHBondContact CA-OD2 3.26Å; H632-D654 VanDerWaalsContact CB-OD2 3.27Å; H632-D654 WeakPolarHBondContact CB-OD2 3.44Å; H632-D654 IonicContact CE1-OD1 2.84Å; H632-D654 IonicContact CG-OD1 3.39Å; H632-D654 IonicContact CG-OD2 3.28Å; H632-D654 VanDerWaalsContact ND1-CG 3.26Å; H632-D654 IonicContact ND1-OD1 3.04Å; H632-D654 PolarHBondContact ND1-OD1 2.81Å; H632-D654 IonicContact ND1-OD2 3.97Å; H632-D654 PolarHBondContact ND1-OD2 3.41Å; D633-D654 HydrophobicContact CB-CB 4.28Å; D633-D654 PolarHBondContact N-OD2 3.19Å; D633-D654 VanDerWaalsContact N-OD2 3.13Å; D634-D654 HydrophobicContact CB-CB 4.19Å; G652-D654 WeakPolarHBondContact CA-OD1 3.24Å; G652-D654 PolarHBondContact O-N 3.09Å; D654-K656 PolarHBondContact O-N 2.73Å; D654-K656 PolarHBondContact OD1-N 3.01Å; D654-K656 VanDerWaalsContact OD1-N 3.07Å
655	K	91.5	Very high	92.4	Very high	95 Å²	95	30.4 Å²	30.4	41%	0.413	14%	0.143	S	C	.	.	S	Bend	trans	74.3	-3.4	178.8	-39.1	161	-178.9	-170.5	0	114.2	G652 K653 H674 H675	G652-K655 PolarHBondContact O-N 2.87Å; K653-K655 PolarHBondContact O-N 2.98Å; K655-H674 WeakPolarHBondContact CB-O 3.38Å; K655-H675 VanDerWaalsContact CD-O 3.23Å; K655-H675 WeakPolarHBondContact CD-O 3.44Å; K655-H675 WeakPolarHBondContact CE-O 3.5Å; K655-H675 PolarHBondContact NZ-O 2.84Å; K655-H675 VanDerWaalsContact NZ-O 3.11Å
656	K	92.2	Very high	92.4	Very high	64 Å²	64	31.6 Å²	31.6	28%	0.278	15%	0.145	S	C	.	.			trans	-93.6	150.7	-178.4	-54.8	-165.6	-173.1	-155	0	110.4	H632 G652 D654 E672	H632-K656 PolarHBondContact CE1-O 3.11Å; H632-K656 VanDerWaalsContact CE1-O 3.24Å; G652-K656 PolarHBondContact N-O 2.85Å; G652-K656 VanDerWaalsContact N-O 3.09Å; D654-K656 PolarHBondContact O-N 2.73Å; D654-K656 PolarHBondContact OD1-N 3.01Å; D654-K656 VanDerWaalsContact OD1-N 3.07Å; K656-E672 HydrophobicContact CD-CG 4.46Å; K656-E672 VanDerWaalsContact CE-OE1 3.24Å; K656-E672 WeakPolarHBondContact CE-OE1 3.26Å; K656-E672 IonicContact NZ-OE1 3.44Å; K656-E672 PolarHBondContact NZ-OE1 2.82Å
657	I	95.2	Very high	92.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	132.2	165.7	-63.5	162.1	0	0	0	106.4	F649 T650 A651 L671 V678 L681 S692 W702	F649-I657 HydrophobicContact CD1-CG2 4.05Å; T650-I657 CarbonylContact O-C 3.6Å; T650-I657 VanDerWaalsContact O-CA 3.29Å; T650-I657 WeakPolarHBondContact O-CA 3.42Å; A651-I657 HydrophobicContact CB-CG1 4.46Å; I657-L671 HydrophobicContact CB-CB 4.04Å; I657-L671 HydrophobicContact CG2-CB 4.44Å; I657-L671 HydrophobicContact CG2-CD1 4.16Å; I657-L671 PolarHBondContact N-O 2.91Å; I657-L671 VanDerWaalsContact N-O 3.13Å; I657-L671 PolarHBondContact O-N 2.64Å; I657-V678 HydrophobicContact CD1-CG1 4.27Å; I657-V678 HydrophobicContact CG1-CG1 4.27Å; I657-V678 HydrophobicContact CG1-CG2 4.28Å; I657-L681 HydrophobicContact CD1-CD1 4.4Å; I657-L681 HydrophobicContact CG1-CD1 4.49Å; I657-L681 HydrophobicContact CG2-CD1 3.68Å; I657-S692 WeakPolarHBondContact CD1-OG 3.32Å; I657-W702 HydrophobicContact CD1-CZ2 4.49Å
658	K	94.1	Very high	92.2	Very high	27 Å²	27	29.8 Å²	29.8	12%	0.117	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	140.9	-178.4	-60.3	-164	-174.8	176.5	0	110.8	A631 F649 T650 W660 L667 Q669 T670	A631-K658 WeakPolarHBondContact O-CD 3.21Å; A631-K658 WeakPolarHBondContact O-CE 3.39Å; A631-K658 PolarHBondContact O-NZ 3.2Å; F649-K658 CarbonylContact C-O 3.53Å; F649-K658 WeakPolarHBondContact CA-O 3.48Å; T650-K658 PolarHBondContact N-O 3.07Å; T650-K658 PolarHBondContact O-N 3Å; T650-K658 PolarHBondContact OG1-O 3.13Å; K658-W660 HydrophobicContact CB-CZ2 4.25Å; K658-W660 HydrophobicContact CD-CZ2 3.94Å; K658-L667 HydrophobicContact CB-CD1 3.74Å; K658-L667 HydrophobicContact CD-CD1 3.91Å; K658-L667 HydrophobicContact CD-CD2 4.37Å; K658-L667 HydrophobicContact CG-CD1 4.2Å; K658-Q669 WeakPolarHBondContact CA-O 3.44Å; K658-T670 HydrophobicContact CD-CG2 3.97Å; K658-T670 HydrophobicContact CG-CG2 3.96Å
659	Q	94.2	Very high	91.9	Very high	3 Å²	3	30 Å²	30	1%	0.014	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.9	175.4	-169.6	-177.4	-7.4	0	0	109.9	F649 L667 I668 Q669	F649-Q659 HydrophobicContact CD1-CB 3.86Å; F649-Q659 HydrophobicContact CD1-CG 4.11Å; F649-Q659 HydrophobicContact CE1-CB 3.52Å; F649-Q659 HydrophobicContact CE1-CG 3.63Å; F649-Q659 HydrophobicContact CE2-CG 4.41Å; F649-Q659 HydrophobicContact CZ-CB 4.21Å; F649-Q659 HydrophobicContact CZ-CG 3.8Å; Q659-L667 WeakPolarHBondContact O-CD1 3.07Å; Q659-I668 HydrophobicContact CB-CB 4.37Å; Q659-I668 HydrophobicContact CG-CB 4.34Å; Q659-I668 HydrophobicContact CG-CD1 4.23Å; Q659-I668 PolarHBondContact O-N 3.38Å; Q659-Q669 HydrophobicContact CB-CB 4.24Å; Q659-Q669 PolarHBondContact N-O 3.47Å; Q659-Q669 PolarHBondContact O-N 2.99Å
660	W	93.5	Very high	91.7	Very high	15 Å²	15	31.3 Å²	31.3	6%	0.057	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	149.1	-175.5	-60.9	91.3	0	0	0	111.6	L629 A631 L647 F648 T650 K658 L667	L629-W660 HydrophobicContact CD1-CD2 4.46Å; L629-W660 HydrophobicContact CD1-CE3 4Å; L629-W660 HydrophobicContact CD1-CZ3 4.38Å; A631-W660 HydrophobicContact CB-CZ2 3.82Å; L647-W660 WeakPolarHBondContact CA-O 3.3Å; F648-W660 HydrophobicContact CD1-CB 3.89Å; F648-W660 HydrophobicContact CD2-CB 4.1Å; F648-W660 HydrophobicContact CD2-CG 4.41Å; F648-W660 HydrophobicContact CE1-CB 3.38Å; F648-W660 HydrophobicContact CE1-CG 4.3Å; F648-W660 HydrophobicContact CE2-CB 3.61Å; F648-W660 AromaticContact CE2-CD1 3.58Å; F648-W660 AromaticContact CE2-CG 3.71Å; F648-W660 HydrophobicContact CE2-CG 3.71Å; F648-W660 HydrophobicContact CG-CB 4.23Å; F648-W660 HydrophobicContact CZ-CB 3.23Å; F648-W660 AromaticContact CZ-CG 3.65Å; F648-W660 HydrophobicContact CZ-CG 3.65Å; F648-W660 PolarHBondContact N-O 3.11Å; F648-W660 PolarHBondContact O-N 3.32Å; T650-W660 PolarHBondContact OG1-NE1 3.27Å; K658-W660 HydrophobicContact CB-CZ2 4.25Å; K658-W660 HydrophobicContact CD-CZ2 3.94Å; W660-L667 HydrophobicContact CD2-CD1 4.21Å; W660-L667 HydrophobicContact CE3-CB 3.99Å; W660-L667 HydrophobicContact CE3-CD1 4.39Å; W660-L667 HydrophobicContact CH2-CB 3.96Å; W660-L667 HydrophobicContact CH2-CD1 4.11Å; W660-L667 HydrophobicContact CH2-CG 4.44Å; W660-L667 HydrophobicContact CZ2-CD1 3.89Å; W660-L667 HydrophobicContact CZ3-CB 3.64Å; W660-L667 HydrophobicContact CZ3-CD1 4.36Å
661	D	92.2	Very high	91.5	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.011	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	120.4	165.7	-163.5	-25.6	0	0	0	109.7	Y7 L647 D663 K664 F665 E666 I668	Y7-D661 WeakPolarHBondContact CE1-OD2 3.02Å; Y7-D661 PolarHBondContact OH-OD2 3.07Å; L647-D661 HydrophobicContact CD2-CB 4.14Å; D661-D663 VanDerWaalsContact C-N 3.33Å; D661-D663 WeakPolarHBondContact OD1-CB 3.18Å; D661-D663 PolarHBondContact OD1-N 2.82Å; D661-K664 HydrophobicContact CB-CB 4.35Å; D661-F665 WeakPolarHBondContact O-CA 2.97Å; D661-F665 PolarHBondContact O-N 2.85Å; D661-E666 PolarHBondContact N-O 3.1Å; D661-I668 HydrophobicContact CB-CD1 3.97Å; D661-I668 HydrophobicContact CB-CG1 4.34Å
662	A	89.9	Confident	91.1	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.008	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-19	176.7	0	0	0	0	0	113.5	L605 I617 F641 H646 F648 F665	L605-A662 HydrophobicContact CD1-CB 4Å; I617-A662 HydrophobicContact CD1-CB 4.32Å; F641-A662 HydrophobicContact CE1-CB 4.09Å; H646-A662 HydrophobicContact CB-CB 4.37Å; H646-A662 WeakPolarHBondContact O-CB 3.03Å; H646-A662 PolarHBondContact O-N 3.27Å; F648-A662 HydrophobicContact CD1-CB 4.06Å; F648-A662 HydrophobicContact CE1-CB 3.95Å; A662-F665 WeakPolarHBondContact O-CE1 3.36Å; A662-F665 WeakPolarHBondContact O-CZ 3.4Å
663	D	89.6	Confident	90.6	Very high	69 Å²	69	37.1 Å²	37.1	37%	0.369	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-45.8	178.9	-65.4	-23.3	0	0	0	111	K5 H646 D661	K5-D663 IonicContact NZ-OD2 3.08Å; K5-D663 PolarHBondContact NZ-OD2 2.98Å; H646-D663 IonicContact CE1-OD1 2.69Å; H646-D663 IonicContact CG-OD1 3.22Å; H646-D663 IonicContact ND1-OD1 3.44Å; H646-D663 PolarHBondContact ND1-OD1 3.41Å; D661-D663 VanDerWaalsContact C-N 3.33Å; D661-D663 WeakPolarHBondContact OD1-CB 3.18Å; D661-D663 PolarHBondContact OD1-N 2.82Å
664	K	87.8	Confident	90.4	Very high	97 Å²	97	34.4 Å²	34.4	42%	0.422	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-18.6	-178.5	-62.8	-172.4	-168.5	163	0	113.8	Y7 D661 E666	Y7-K664 WeakPolarHBondContact OH-CD 3.35Å; Y7-K664 VanDerWaalsContact OH-CE 3.3Å; Y7-K664 WeakPolarHBondContact OH-CE 3.29Å; Y7-K664 PolarHBondContact OH-NZ 3.01Å; D661-K664 HydrophobicContact CB-CB 4.35Å; K664-E666 VanDerWaalsContact C-N 3.28Å; K664-E666 HydrophobicContact CB-CG 4.17Å; K664-E666 PolarHBondContact O-N 3.36Å
665	F	88.6	Confident	90.3	Very high	44 Å²	44	33.9 Å²	33.9	19%	0.193	16%	0.162	C	C	.	.			trans	61.7	33.5	-174.6	-48.8	-76.1	0	0	0	113.9	I617 H626 R627 L629 D661 A662	I617-F665 HydrophobicContact CB-CE1 4.12Å; I617-F665 HydrophobicContact CD1-CD1 3.54Å; I617-F665 HydrophobicContact CD1-CE1 3.69Å; I617-F665 HydrophobicContact CG2-CE1 4.05Å; H626-F665 HydrophobicContact CB-CE1 3.97Å; H626-F665 HydrophobicContact CB-CZ 3.67Å; R627-F665 HydrophobicContact CB-CD1 3.82Å; R627-F665 HydrophobicContact CB-CE1 4.05Å; R627-F665 HydrophobicContact CB-CG 4.13Å; L629-F665 HydrophobicContact CD2-CB 4.21Å; D661-F665 WeakPolarHBondContact O-CA 2.97Å; D661-F665 PolarHBondContact O-N 2.85Å; A662-F665 WeakPolarHBondContact O-CE1 3.36Å; A662-F665 WeakPolarHBondContact O-CZ 3.4Å
666	E	87.9	Confident	90.3	Very high	67 Å²	67	31.9 Å²	31.9	31%	0.313	15%	0.152	S	C	.	.			trans	-107.4	147.6	179.5	-65.2	-174.9	138.7	0	0	111	D661 K664	D661-E666 PolarHBondContact N-O 3.1Å; K664-E666 VanDerWaalsContact C-N 3.28Å; K664-E666 HydrophobicContact CB-CG 4.17Å; K664-E666 PolarHBondContact O-N 3.36Å
667	L	89.6	Confident	90.3	Very high	43 Å²	43	31.6 Å²	31.6	23%	0.225	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	122.3	167.5	177.5	61.1	0	0	0	108.1	K658 Q659 W660 T670	K658-L667 HydrophobicContact CB-CD1 3.74Å; K658-L667 HydrophobicContact CD-CD1 3.91Å; K658-L667 HydrophobicContact CD-CD2 4.37Å; K658-L667 HydrophobicContact CG-CD1 4.2Å; Q659-L667 WeakPolarHBondContact O-CD1 3.07Å; W660-L667 HydrophobicContact CD2-CD1 4.21Å; W660-L667 HydrophobicContact CE3-CB 3.99Å; W660-L667 HydrophobicContact CE3-CD1 4.39Å; W660-L667 HydrophobicContact CH2-CB 3.96Å; W660-L667 HydrophobicContact CH2-CD1 4.11Å; W660-L667 HydrophobicContact CH2-CG 4.44Å; W660-L667 HydrophobicContact CZ2-CD1 3.89Å; W660-L667 HydrophobicContact CZ3-CB 3.64Å; W660-L667 HydrophobicContact CZ3-CD1 4.36Å; L667-T670 HydrophobicContact CD1-CG2 4.12Å; L667-T670 HydrophobicContact CD2-CG2 3.8Å; L667-T670 HydrophobicContact CG-CG2 4.33Å
668	I	89.4	Confident	90.3	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-52	179.2	-62.6	163.7	0	0	0	110.6	Y7 L647 Q659 D661 I709 L711	Y7-I668 HydrophobicContact CD1-CD1 3.49Å; Y7-I668 VanDerWaalsContact CD1-CD1 3.49Å; Y7-I668 HydrophobicContact CD1-CG1 3.96Å; Y7-I668 HydrophobicContact CD1-CG2 4.15Å; Y7-I668 HydrophobicContact CD2-CG2 4.39Å; Y7-I668 HydrophobicContact CE1-CD1 3.5Å; Y7-I668 HydrophobicContact CE1-CG1 3.96Å; Y7-I668 HydrophobicContact CG-CD1 4.24Å; Y7-I668 HydrophobicContact CG-CG1 4.26Å; Y7-I668 HydrophobicContact CG-CG2 3.85Å; L647-I668 HydrophobicContact CD2-CD1 3.54Å; Q659-I668 HydrophobicContact CB-CB 4.37Å; Q659-I668 HydrophobicContact CG-CB 4.34Å; Q659-I668 HydrophobicContact CG-CD1 4.23Å; Q659-I668 PolarHBondContact O-N 3.38Å; D661-I668 HydrophobicContact CB-CD1 3.97Å; D661-I668 HydrophobicContact CB-CG1 4.34Å; I668-I709 HydrophobicContact CG2-CD1 4.29Å; I668-L711 HydrophobicContact CB-CD2 4.42Å; I668-L711 HydrophobicContact CG2-CD2 4.32Å
669	Q	89.1	Confident	90.2	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.028	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	138.7	-172.9	-167.6	179.7	11.9	0	0	112.9	Y10 K658 Q659 L671 I709 E714	Y10-Q669 PolarHBondContact O-NE2 3.47Å; Y10-Q669 PolarHBondContact O-OE1 2.7Å; K658-Q669 WeakPolarHBondContact CA-O 3.44Å; Q659-Q669 HydrophobicContact CB-CB 4.24Å; Q659-Q669 PolarHBondContact N-O 3.47Å; Q659-Q669 PolarHBondContact O-N 2.99Å; Q669-L671 HydrophobicContact CG-CD2 4.1Å; Q669-I709 HydrophobicContact CB-CD1 4.12Å; Q669-I709 HydrophobicContact CG-CD1 4.24Å; Q669-E714 WeakPolarHBondContact CA-OE2 3.38Å
670	T	91.1	Very high	90.1	Very high	27 Å²	27	32.8 Å²	32.8	17%	0.166	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	119.1	166.6	55.4	0	0	0	0	110.5	K658 L667 E718	K658-T670 HydrophobicContact CD-CG2 3.97Å; K658-T670 HydrophobicContact CG-CG2 3.96Å; L667-T670 HydrophobicContact CD1-CG2 4.12Å; L667-T670 HydrophobicContact CD2-CG2 3.8Å; L667-T670 HydrophobicContact CG-CG2 4.33Å; T670-E718 WeakPolarHBondContact CB-OE1 3.39Å; T670-E718 WeakPolarHBondContact CG2-OE1 3.31Å; T670-E718 PolarHBondContact OG1-OE1 3.08Å
671	L	90.4	Very high	90.2	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	100.5	177.7	-62.3	178.7	0	0	0	108.7	Y10 F649 I657 Q669 L690 W702	Y10-L671 WeakPolarHBondContact O-CD2 3.47Å; F649-L671 HydrophobicContact CD1-CD1 4.49Å; F649-L671 HydrophobicContact CE1-CD1 3.95Å; I657-L671 HydrophobicContact CB-CB 4.04Å; I657-L671 HydrophobicContact CG2-CB 4.44Å; I657-L671 HydrophobicContact CG2-CD1 4.16Å; I657-L671 PolarHBondContact N-O 2.91Å; I657-L671 VanDerWaalsContact N-O 3.13Å; I657-L671 PolarHBondContact O-N 2.64Å; Q669-L671 HydrophobicContact CG-CD2 4.1Å; L671-L690 HydrophobicContact CD1-CD2 3.93Å; L671-W702 HydrophobicContact CB-CE3 4.23Å; L671-W702 HydrophobicContact CB-CH2 4.01Å; L671-W702 HydrophobicContact CB-CZ2 4.41Å; L671-W702 HydrophobicContact CB-CZ3 3.91Å; L671-W702 HydrophobicContact CD1-CD2 4.08Å; L671-W702 HydrophobicContact CD1-CE3 4.09Å; L671-W702 HydrophobicContact CD1-CG 4.35Å; L671-W702 HydrophobicContact CD2-CE3 3.85Å; L671-W702 HydrophobicContact CD2-CZ3 3.97Å; L671-W702 HydrophobicContact CG-CE3 4.29Å; L671-W702 HydrophobicContact CG-CZ3 4.38Å
672	E	86.6	Confident	90.2	Very high	104 Å²	104	32.2 Å²	32.2	49%	0.486	15%	0.154	S	C	.	.			trans	-98.1	142.9	175.5	-61.1	-168.2	158.6	0	0	111.2	K656	K656-E672 HydrophobicContact CD-CG 4.46Å; K656-E672 VanDerWaalsContact CE-OE1 3.24Å; K656-E672 WeakPolarHBondContact CE-OE1 3.26Å; K656-E672 IonicContact NZ-OE1 3.44Å; K656-E672 PolarHBondContact NZ-OE1 2.82Å
673	G	84.1	Confident	90.4	Very high	14 Å²	14	32.6 Å²	32.6	14%	0.144	16%	0.156	C	C	.	.			trans	164.4	-34.4	174.5	0	0	0	0	0	112.6	H675 R700	G673-H675 PolarHBondContact O-CE1 2.78Å; G673-H675 PolarHBondContact O-ND1 2.82Å; G673-R700 PolarHBondContact O-NH1 2.82Å; G673-R700 VanDerWaalsContact O-NH1 3.16Å; G673-R700 PolarHBondContact O-NH2 3.39Å
674	H	90.9	Very high	90.5	Very high	11 Å²	11	29.3 Å²	29.3	5%	0.051	14%	0.138	C	C	.	.			trans	-65.1	139.5	174.6	-76.8	-62.1	0	0	0	111.2	K655 V678 S692 S694 S698 R700	K655-H674 WeakPolarHBondContact CB-O 3.38Å; H674-V678 HydrophobicContact CB-CG2 3.85Å; H674-S692 PolarHBondContact NE2-OG 3.48Å; H674-S694 WeakPolarHBondContact ND1-CB 3.35Å; H674-S698 PolarHBondContact ND1-OG 3.27Å; H674-R700 VanDerWaalsContact CE1-CD 3.47Å; H674-R700 WeakPolarHBondContact CE1-CD 3.43Å; H674-R700 VanDerWaalsContact CE1-CG 3.46Å; H674-R700 WeakPolarHBondContact CE1-CG 3.24Å; H674-R700 PolarHBondContact ND1-NE 3.44Å
675	H	88.6	Confident	90.5	Very high	15 Å²	15	27.2 Å²	27.2	7%	0.069	14%	0.135	C	C	.	.	S	Bend	trans	-96.5	-17.7	-175.4	-70.9	78.2	0	0	0	112.7	E46 K66 H67 E68 K655 G673	E46-H675 IonicContact OE2-CE1 2.69Å; E46-H675 PolarHBondContact OE2-CE1 2.98Å; E46-H675 IonicContact OE2-ND1 3.16Å; K66-H675 PolarHBondContact O-CE1 3.35Å; K66-H675 PolarHBondContact O-NE2 3.21Å; H67-H675 VanDerWaalsContact C-NE2 3.3Å; E68-H675 WeakPolarHBondContact CB-CD2 3.44Å; E68-H675 PolarHBondContact N-CD2 2.77Å; E68-H675 PolarHBondContact N-NE2 2.97Å; K655-H675 VanDerWaalsContact CD-O 3.23Å; K655-H675 WeakPolarHBondContact CD-O 3.44Å; K655-H675 WeakPolarHBondContact CE-O 3.5Å; K655-H675 PolarHBondContact NZ-O 2.84Å; K655-H675 VanDerWaalsContact NZ-O 3.11Å; G673-H675 PolarHBondContact O-CE1 2.78Å; G673-H675 PolarHBondContact O-ND1 2.82Å
676	R	90.9	Very high	90.5	Very high	54 Å²	54	30.2 Å²	30.2	20%	0.204	15%	0.153	C	C	.	.	S	Bend	trans	-132.2	174.1	175.7	-59.4	-172.1	-179.3	-168.7	2.1	110.4	V678 S694 H695 D696	R676-V678 PolarHBondContact O-N 3.39Å; R676-S694 PolarHBondContact O-OG 2.82Å; R676-H695 HydrophobicContact CB-CB 3.9Å; R676-D696 HydrophobicContact CB-CB 4.21Å; R676-D696 HydrophobicContact CG-CB 4.04Å
677	E	92.9	Very high	90.5	Very high	57 Å²	57	27 Å²	27	27%	0.266	14%	0.138	S	C	.	.			trans	-44.4	131.4	-179.9	-49.2	177.5	179.1	0	0	112.2	K653 S694 H695	K653-E677 HydrophobicContact CD-CG 4.43Å; K653-E677 WeakPolarHBondContact CE-OE1 3.37Å; K653-E677 VanDerWaalsContact CE-OE2 3.31Å; K653-E677 WeakPolarHBondContact CE-OE2 3.35Å; K653-E677 HydrophobicContact CG-CB 3.86Å; K653-E677 VanDerWaalsContact CG-CD 3.41Å; K653-E677 HydrophobicContact CG-CG 3.46Å; K653-E677 VanDerWaalsContact CG-CG 3.46Å; K653-E677 IonicContact NZ-OE1 3.76Å; E677-S694 CarbonylContact O-C 3.57Å; E677-S694 VanDerWaalsContact O-CA 3.28Å; E677-S694 WeakPolarHBondContact O-CA 3.13Å; E677-S694 PolarHBondContact O-OG 2.98Å; E677-S694 VanDerWaalsContact O-OG 3.07Å; E677-H695 HydrophobicContact CB-CB 4.33Å; E677-H695 PolarHBondContact O-N 3.26Å
678	V	95.1	Very high	90.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	120.1	176.7	-173.4	0	0	0	0	108.4	M637 A651 G652 I657 H674 R676 S693	M637-V678 WeakPolarHBondContact CB-O 3.34Å; M637-V678 WeakPolarHBondContact CG-O 3.37Å; A651-V678 HydrophobicContact CB-CB 4.14Å; A651-V678 HydrophobicContact CB-CG1 3.73Å; G652-V678 PolarHBondContact O-N 2.96Å; I657-V678 HydrophobicContact CD1-CG1 4.27Å; I657-V678 HydrophobicContact CG1-CG1 4.27Å; I657-V678 HydrophobicContact CG1-CG2 4.28Å; H674-V678 HydrophobicContact CB-CG2 3.85Å; R676-V678 PolarHBondContact O-N 3.39Å; V678-S693 WeakPolarHBondContact CG1-O 3.29Å
679	W	92.8	Very high	90.7	Very high	52 Å²	52	28.5 Å²	28.5	20%	0.197	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-40.5	-175.9	-76.2	106	0	0	0	113.2	R418 M637 S693 H695	R418-W679 VanDerWaalsContact NH1-CD2 3.3Å; R418-W679 VanDerWaalsContact NH1-CE3 3.35Å; R418-W679 VanDerWaalsContact NH1-CZ2 3.31Å; M637-W679 HydrophobicContact CE-CE3 3.53Å; M637-W679 HydrophobicContact CE-CH2 4.24Å; M637-W679 HydrophobicContact CE-CZ3 3.26Å; W679-S693 PolarHBondContact N-O 3.48Å; W679-H695 AromaticContact NE1-CD2 3.8Å; W679-H695 AromaticContact NE1-CG 3.96Å
680	C	91.4	Very high	90.9	Very high	4 Å²	4	28.2 Å²	28.2	3%	0.027	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	154.3	-171.8	-170.8	0	0	0	0	110.2	R418 L420 S693	R418-C680 WeakPolarHBondContact O-CB 3.46Å; L420-C680 PolarHBondContact N-SG 2.93Å; L420-C680 VanDerWaalsContact N-SG 3.42Å; C680-S693 WeakPolarHBondContact CB-OG 3.38Å; C680-S693 PolarHBondContact N-OG 3.36Å; C680-S693 PolarHBondContact O-N 2.95Å; C680-S693 PolarHBondContact O-OG 3.26Å
681	L	94.4	Very high	91.1	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	141.5	-179.5	175	149.1	0	0	0	107.3	F638 Q640 F649 A651 I657 I683 L690 V691	F638-L681 HydrophobicContact CD1-CB 3.98Å; F638-L681 VanDerWaalsContact CD1-O 3.28Å; F638-L681 WeakPolarHBondContact CD1-O 3.38Å; F638-L681 WeakPolarHBondContact CE1-O 3.4Å; Q640-L681 HydrophobicContact CB-CD2 4.02Å; F649-L681 HydrophobicContact CB-CD1 3.86Å; F649-L681 HydrophobicContact CB-CD2 4.04Å; A651-L681 HydrophobicContact CB-CB 4.33Å; A651-L681 HydrophobicContact CB-CD1 4.46Å; I657-L681 HydrophobicContact CD1-CD1 4.4Å; I657-L681 HydrophobicContact CG1-CD1 4.49Å; I657-L681 HydrophobicContact CG2-CD1 3.68Å; L681-I683 HydrophobicContact CD2-CD1 4.28Å; L681-I683 HydrophobicContact CD2-CG1 3.89Å; L681-L690 HydrophobicContact CD1-CD1 3.73Å; L681-L690 HydrophobicContact CD1-CD2 4.11Å; L681-L690 HydrophobicContact CD1-CG 4.28Å; L681-L690 HydrophobicContact CD2-CD1 3.48Å; L681-L690 VanDerWaalsContact CD2-CD1 3.48Å; L681-L690 HydrophobicContact CG-CD1 3.42Å; L681-L690 VanDerWaalsContact CG-CD1 3.42Å; L681-L690 HydrophobicContact CG-CG 4.31Å; L681-V691 CarbonylContact C-O 3.53Å; L681-V691 WeakPolarHBondContact CA-O 3.49Å
682	A	93.7	Very high	91.3	Very high	4 Å²	4	26.7 Å²	26.7	3%	0.033	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133	174.6	0	0	0	0	0	108.7	L420 F422 Q640 L690 V691	L420-A682 HydrophobicContact CB-CB 3.77Å; F422-A682 HydrophobicContact CD2-CB 3.83Å; F422-A682 HydrophobicContact CE2-CB 4.27Å; F422-A682 VanDerWaalsContact CE2-O 3.24Å; F422-A682 WeakPolarHBondContact CE2-O 3.34Å; Q640-A682 VanDerWaalsContact OE1-CA 3.29Å; A682-L690 WeakPolarHBondContact O-CD1 3.14Å; A682-V691 PolarHBondContact N-O 3.27Å; A682-V691 PolarHBondContact O-N 2.66Å
683	I	93.7	Very high	91.6	Very high	8 Å²	8	21.8 Å²	21.8	4%	0.041	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	139.4	174.2	-59.3	162.5	0	0	0	108.8	F422 Q640 F641 V642 F649 L681 L690	F422-I683 VanDerWaalsContact CD2-C 3.43Å; F422-I683 WeakPolarHBondContact CD2-O 3.27Å; Q640-I683 HydrophobicContact CB-CD1 3.7Å; Q640-I683 HydrophobicContact CB-CG1 4.37Å; Q640-I683 HydrophobicContact CG-CD1 3.8Å; Q640-I683 HydrophobicContact CG-CG1 4.38Å; Q640-I683 WeakPolarHBondContact O-CD1 3.46Å; F641-I683 WeakPolarHBondContact O-CD1 3.47Å; V642-I683 HydrophobicContact CG2-CD1 3.98Å; V642-I683 HydrophobicContact CG2-CG2 4.4Å; F649-I683 HydrophobicContact CD2-CD1 3.78Å; F649-I683 HydrophobicContact CD2-CG1 4.18Å; L681-I683 HydrophobicContact CD2-CD1 4.28Å; L681-I683 HydrophobicContact CD2-CG1 3.89Å; I683-L690 HydrophobicContact CG1-CD1 3.61Å
684	S	92.1	Very high	92	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.105	C	C	.	.			trans	-62.4	148.1	172.9	60	0	0	0	0	111.4	N426 N686 G687 D688 H689	N426-S684 VanDerWaalsContact OD1-CB 3.31Å; N426-S684 WeakPolarHBondContact OD1-CB 3.46Å; S684-N686 PolarHBondContact O-N 2.92Å; S684-G687 PolarHBondContact O-N 2.94Å; S684-G687 PolarHBondContact OG-N 2.83Å; S684-D688 PolarHBondContact OG-N 2.88Å; S684-H689 WeakPolarHBondContact CB-O 3.34Å; S684-H689 PolarHBondContact N-O 2.92Å; S684-H689 PolarHBondContact OG-N 3.47Å; S684-H689 PolarHBondContact OG-O 2.85Å
685	P	87.9	Confident	92.1	Very high	54 Å²	54	23.8 Å²	23.8	35%	0.351	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-24.6	177.3	-27.1	34.8	0	0	0	114.6
686	N	87.8	Confident	91.9	Very high	107 Å²	107	23.9 Å²	23.9	57%	0.572	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-20.4	176.5	-67	-5.4	0	0	0	113.5	S684	S684-N686 PolarHBondContact O-N 2.92Å
687	G	87.9	Confident	91.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	79.2	14.2	-176	0	0	0	0	0	115.2	Y10 S684	Y10-G687 PolarHBondContact OH-O 3.25Å; S684-G687 PolarHBondContact O-N 2.94Å; S684-G687 PolarHBondContact OG-N 2.83Å
688	D	90.3	Very high	91.8	Very high	59 Å²	59	19.5 Å²	19.5	32%	0.316	10%	0.1	S	C	.	.	S	Bend	trans	-93.9	-27.1	179.2	-65.9	-37.4	0	0	0	112.7	S684 R704	S684-D688 PolarHBondContact OG-N 2.88Å; D688-R704 WeakPolarHBondContact O-CB 3.41Å; D688-R704 PolarHBondContact O-N 2.98Å; D688-R704 IonicContact OD1-CZ 3.58Å; D688-R704 IonicContact OD1-NE 2.71Å; D688-R704 IonicContact OD1-NH2 3.18Å
689	H	92.7	Very high	91.7	Very high	16 Å²	16	19.5 Å²	19.5	7%	0.074	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	147.7	180	-56.8	-49.5	0	0	0	111.8	F422 R442 S684 L701 W702 E703	F422-H689 HydrophobicContact CZ-CB 4.15Å; R442-H689 PolarHBondContact NH1-NE2 3.06Å; S684-H689 WeakPolarHBondContact CB-O 3.34Å; S684-H689 PolarHBondContact N-O 2.92Å; S684-H689 PolarHBondContact OG-N 3.47Å; S684-H689 PolarHBondContact OG-O 2.85Å; H689-L701 HydrophobicContact CB-CD1 4.12Å; H689-W702 WeakPolarHBondContact CA-O 3.2Å; H689-E703 IonicContact CE1-OE1 3.96Å
690	L	94.4	Very high	91.7	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	133.4	178.2	177	67.2	0	0	0	108.6	F649 L671 L681 A682 I683 L701 W702	F649-L690 HydrophobicContact CD1-CD2 4.07Å; F649-L690 HydrophobicContact CD2-CD1 4.41Å; F649-L690 HydrophobicContact CE1-CD2 4Å; F649-L690 HydrophobicContact CE2-CD2 4.48Å; F649-L690 HydrophobicContact CG-CD2 4.32Å; F649-L690 HydrophobicContact CZ-CD2 4.21Å; L671-L690 HydrophobicContact CD1-CD2 3.93Å; L681-L690 HydrophobicContact CD1-CD1 3.73Å; L681-L690 HydrophobicContact CD1-CD2 4.11Å; L681-L690 HydrophobicContact CD1-CG 4.28Å; L681-L690 HydrophobicContact CD2-CD1 3.48Å; L681-L690 VanDerWaalsContact CD2-CD1 3.48Å; L681-L690 HydrophobicContact CG-CD1 3.42Å; L681-L690 VanDerWaalsContact CG-CD1 3.42Å; L681-L690 HydrophobicContact CG-CG 4.31Å; A682-L690 WeakPolarHBondContact O-CD1 3.14Å; I683-L690 HydrophobicContact CG1-CD1 3.61Å; L690-L701 CarbonylContact O-C 3.54Å; L690-L701 WeakPolarHBondContact O-CA 3.17Å; L690-W702 HydrophobicContact CB-CB 4.04Å; L690-W702 HydrophobicContact CB-CG 4.44Å; L690-W702 HydrophobicContact CD2-CB 4.32Å; L690-W702 HydrophobicContact CD2-CG 4.14Å; L690-W702 HydrophobicContact CG-CG 4.49Å; L690-W702 PolarHBondContact N-O 2.98Å; L690-W702 PolarHBondContact O-N 3.39Å
691	V	94.4	Very high	91.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.2	170.1	178.8	0	0	0	0	109.1	F16 L420 F422 V429 L681 A682 R700 L701	F16-V691 HydrophobicContact CZ-CG1 4.35Å; L420-V691 HydrophobicContact CD1-CB 4.43Å; L420-V691 HydrophobicContact CD1-CG1 3.78Å; L420-V691 HydrophobicContact CD2-CG1 4.2Å; F422-V691 HydrophobicContact CE1-CG2 4.24Å; F422-V691 HydrophobicContact CE2-CB 4.06Å; F422-V691 HydrophobicContact CE2-CG2 3.77Å; F422-V691 HydrophobicContact CZ-CB 4.21Å; F422-V691 HydrophobicContact CZ-CG2 3.4Å; F422-V691 VanDerWaalsContact CZ-CG2 3.4Å; V429-V691 HydrophobicContact CG1-CB 4.46Å; V429-V691 HydrophobicContact CG1-CG1 4.17Å; V429-V691 HydrophobicContact CG1-CG2 4.26Å; V429-V691 HydrophobicContact CG2-CG2 4.06Å; L681-V691 CarbonylContact C-O 3.53Å; L681-V691 WeakPolarHBondContact CA-O 3.49Å; A682-V691 PolarHBondContact N-O 3.27Å; A682-V691 PolarHBondContact O-N 2.66Å; V691-R700 CarbonylContact C-O 3.57Å; V691-R700 VanDerWaalsContact CA-O 3.25Å; V691-R700 WeakPolarHBondContact CA-O 3.46Å; V691-L701 HydrophobicContact CG2-CD1 3.56Å
692	S	94.4	Very high	91.8	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	145.6	175.3	54.8	0	0	0	0	112.2	I657 H674 L699 R700 W702	I657-S692 WeakPolarHBondContact CD1-OG 3.32Å; H674-S692 PolarHBondContact NE2-OG 3.48Å; S692-L699 WeakPolarHBondContact O-CA 3.47Å; S692-R700 PolarHBondContact N-O 3.02Å; S692-R700 PolarHBondContact O-N 3.41Å; S692-W702 PolarHBondContact OG-NE1 2.97Å
693	S	93.8	Very high	91.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.6	-179.6	58.8	0	0	0	0	111.6	V678 W679 C680 L699	V678-S693 WeakPolarHBondContact CG1-O 3.29Å; W679-S693 PolarHBondContact N-O 3.48Å; C680-S693 WeakPolarHBondContact CB-OG 3.38Å; C680-S693 PolarHBondContact N-OG 3.36Å; C680-S693 PolarHBondContact O-N 2.95Å; C680-S693 PolarHBondContact O-OG 3.26Å; S693-L699 VanDerWaalsContact CB-CD2 3.5Å
694	S	92.5	Very high	91.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	162.6	178.7	172.2	0	0	0	0	113	H674 R676 E677 D696 K697 S698	H674-S694 WeakPolarHBondContact ND1-CB 3.35Å; R676-S694 PolarHBondContact O-OG 2.82Å; E677-S694 CarbonylContact O-C 3.57Å; E677-S694 VanDerWaalsContact O-CA 3.28Å; E677-S694 WeakPolarHBondContact O-CA 3.13Å; E677-S694 PolarHBondContact O-OG 2.98Å; E677-S694 VanDerWaalsContact O-OG 3.07Å; S694-D696 WeakPolarHBondContact CB-OD1 3.26Å; S694-D696 PolarHBondContact O-N 3.07Å; S694-D696 PolarHBondContact OG-N 3.36Å; S694-D696 PolarHBondContact OG-OD1 2.78Å; S694-K697 WeakPolarHBondContact O-CA 3.41Å; S694-K697 PolarHBondContact O-N 2.95Å; S694-S698 PolarHBondContact N-O 3.27Å; S694-S698 VanDerWaalsContact N-O 3.14Å
695	H	91.4	Very high	91.5	Very high	67 Å²	67	27.9 Å²	27.9	31%	0.31	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-15.9	171.8	-172.2	-118.5	0	0	0	113.3	R676 E677 W679 K697	R676-H695 HydrophobicContact CB-CB 3.9Å; E677-H695 HydrophobicContact CB-CB 4.33Å; E677-H695 PolarHBondContact O-N 3.26Å; W679-H695 AromaticContact NE1-CD2 3.8Å; W679-H695 AromaticContact NE1-CG 3.96Å; H695-K697 PolarHBondContact O-N 2.93Å
696	D	85.8	Confident	91.4	Very high	18 Å²	18	36.8 Å²	36.8	10%	0.096	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-0.8	168.1	66.9	8	0	0	0	113.1	C45 R676 S694 S698	C45-D696 PolarHBondContact SG-OD2 3.34Å; C45-D696 VanDerWaalsContact SG-OD2 3.38Å; R676-D696 HydrophobicContact CB-CB 4.21Å; R676-D696 HydrophobicContact CG-CB 4.04Å; S694-D696 WeakPolarHBondContact CB-OD1 3.26Å; S694-D696 PolarHBondContact O-N 3.07Å; S694-D696 PolarHBondContact OG-N 3.36Å; S694-D696 PolarHBondContact OG-OD1 2.78Å; D696-S698 VanDerWaalsContact CG-OG 3.23Å; D696-S698 PolarHBondContact O-N 2.87Å; D696-S698 WeakPolarHBondContact OD1-CA 3.28Å; D696-S698 WeakPolarHBondContact OD1-CB 3.37Å; D696-S698 PolarHBondContact OD1-N 2.9Å; D696-S698 PolarHBondContact OD1-OG 2.91Å; D696-S698 PolarHBondContact OD2-OG 2.59Å
697	K	89.5	Confident	91.3	Very high	19 Å²	19	37.2 Å²	37.2	8%	0.083	16%	0.164	C	C	.	.	S	Bend	trans	70.2	9.1	-177.4	-48.2	170.5	-172.1	-177.1	0	113.3	Q384 N386 R414 S694 H695	Q384-K697 PolarHBondContact O-NZ 3.46Å; N386-K697 HydrophobicContact CB-CD 3.8Å; R414-K697 WeakPolarHBondContact O-CE 3.41Å; R414-K697 PolarHBondContact O-NZ 2.75Å; S694-K697 WeakPolarHBondContact O-CA 3.41Å; S694-K697 PolarHBondContact O-N 2.95Å; H695-K697 PolarHBondContact O-N 2.93Å
698	S	90.9	Very high	91.2	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.188	C	C	.	.			trans	-82.1	146.4	174.7	79.1	0	0	0	0	111.8	V18 H674 S694 D696	V18-S698 VanDerWaalsContact CG2-CB 3.43Å; H674-S698 PolarHBondContact ND1-OG 3.27Å; S694-S698 PolarHBondContact N-O 3.27Å; S694-S698 VanDerWaalsContact N-O 3.14Å; D696-S698 VanDerWaalsContact CG-OG 3.23Å; D696-S698 PolarHBondContact O-N 2.87Å; D696-S698 WeakPolarHBondContact OD1-CA 3.28Å; D696-S698 WeakPolarHBondContact OD1-CB 3.37Å; D696-S698 PolarHBondContact OD1-N 2.9Å; D696-S698 PolarHBondContact OD1-OG 2.91Å; D696-S698 PolarHBondContact OD2-OG 2.59Å
699	L	93.1	Very high	90.7	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.9	167.3	-61	179.7	0	0	0	107.2	V15 F16 V417 L420 W440 S692 S693	V15-L699 WeakPolarHBondContact CA-O 3.22Å; F16-L699 HydrophobicContact CD1-CB 4.18Å; F16-L699 WeakPolarHBondContact CD1-O 3.26Å; F16-L699 HydrophobicContact CD2-CB 3.92Å; F16-L699 HydrophobicContact CD2-CD1 4.02Å; F16-L699 HydrophobicContact CE1-CB 3.93Å; F16-L699 HydrophobicContact CE2-CB 3.67Å; F16-L699 HydrophobicContact CE2-CD1 3.53Å; F16-L699 HydrophobicContact CE2-CG 4.25Å; F16-L699 HydrophobicContact CG-CB 4.17Å; F16-L699 HydrophobicContact CZ-CB 3.68Å; F16-L699 HydrophobicContact CZ-CD1 4.18Å; F16-L699 PolarHBondContact N-O 2.85Å; F16-L699 PolarHBondContact O-N 3.3Å; V417-L699 HydrophobicContact CB-CD2 4.36Å; V417-L699 HydrophobicContact CG1-CD2 4.17Å; V417-L699 HydrophobicContact CG2-CD2 4.22Å; L420-L699 HydrophobicContact CD1-CD2 4.39Å; L420-L699 HydrophobicContact CD2-CD2 3.79Å; W440-L699 HydrophobicContact CZ2-CD1 4.18Å; S692-L699 WeakPolarHBondContact O-CA 3.47Å; S693-L699 VanDerWaalsContact CB-CD2 3.5Å
700	R	92.9	Very high	90.2	Very high	5 Å²	5	42.4 Å²	42.4	2%	0.019	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.9	176.7	-66.9	-175	-173.7	-116.9	-17.2	110	A14 V15 E46 G673 H674 V691 S692 W702	A14-R700 WeakPolarHBondContact O-CA 3.31Å; V15-R700 HydrophobicContact CG1-CG 4.47Å; V15-R700 HydrophobicContact CG2-CG 4.21Å; E46-R700 IonicContact OE1-CZ 3.08Å; E46-R700 IonicContact OE1-NH1 3.01Å; E46-R700 PolarHBondContact OE1-NH1 3.03Å; E46-R700 IonicContact OE1-NH2 3.74Å; E46-R700 PolarHBondContact OE1-NH2 2.74Å; E46-R700 IonicContact OE2-CZ 3.44Å; E46-R700 IonicContact OE2-NH1 3.55Å; E46-R700 IonicContact OE2-NH2 2.84Å; E46-R700 PolarHBondContact OE2-NH2 3.08Å; G673-R700 PolarHBondContact O-NH1 2.82Å; G673-R700 VanDerWaalsContact O-NH1 3.16Å; G673-R700 PolarHBondContact O-NH2 3.39Å; H674-R700 VanDerWaalsContact CE1-CD 3.47Å; H674-R700 WeakPolarHBondContact CE1-CD 3.43Å; H674-R700 VanDerWaalsContact CE1-CG 3.46Å; H674-R700 WeakPolarHBondContact CE1-CG 3.24Å; H674-R700 PolarHBondContact ND1-NE 3.44Å; V691-R700 CarbonylContact C-O 3.57Å; V691-R700 VanDerWaalsContact CA-O 3.25Å; V691-R700 WeakPolarHBondContact CA-O 3.46Å; S692-R700 PolarHBondContact N-O 3.02Å; S692-R700 PolarHBondContact O-N 3.41Å; R700-W702 HydrophobicContact CB-CZ2 4.21Å
701	L	93.7	Very high	89.4	Confident	12 Å²	12	44 Å²	44	6%	0.063	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	128.2	169.2	-177.4	69.3	0	0	0	108.7	S13 A14 F16 L445 H689 L690 V691	S13-L701 WeakPolarHBondContact CB-O 3.19Å; S13-L701 PolarHBondContact N-O 3.35Å; A14-L701 PolarHBondContact N-O 2.66Å; A14-L701 PolarHBondContact O-N 2.81Å; F16-L701 HydrophobicContact CE1-CB 4.23Å; L445-L701 HydrophobicContact CD2-CD2 4.44Å; H689-L701 HydrophobicContact CB-CD1 4.12Å; L690-L701 CarbonylContact O-C 3.54Å; L690-L701 WeakPolarHBondContact O-CA 3.17Å; V691-L701 HydrophobicContact CG2-CD1 3.56Å
702	W	94.1	Very high	88.6	Confident	7 Å²	7	50.9 Å²	50.9	3%	0.027	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.6	172.3	-40.7	74.1	0	0	0	109.1	Y10 A11 A12 I657 L671 H689 L690 S692 R700	Y10-W702 HydrophobicContact CD1-CB 4.48Å; A11-W702 CarbonylContact O-C 3.58Å; A11-W702 VanDerWaalsContact O-CA 3.24Å; A11-W702 WeakPolarHBondContact O-CA 3.46Å; A12-W702 HydrophobicContact CB-CE3 3.79Å; A12-W702 HydrophobicContact CB-CH2 4.26Å; A12-W702 HydrophobicContact CB-CZ3 3.62Å; I657-W702 HydrophobicContact CD1-CZ2 4.49Å; L671-W702 HydrophobicContact CB-CE3 4.23Å; L671-W702 HydrophobicContact CB-CH2 4.01Å; L671-W702 HydrophobicContact CB-CZ2 4.41Å; L671-W702 HydrophobicContact CB-CZ3 3.91Å; L671-W702 HydrophobicContact CD1-CD2 4.08Å; L671-W702 HydrophobicContact CD1-CE3 4.09Å; L671-W702 HydrophobicContact CD1-CG 4.35Å; L671-W702 HydrophobicContact CD2-CE3 3.85Å; L671-W702 HydrophobicContact CD2-CZ3 3.97Å; L671-W702 HydrophobicContact CG-CE3 4.29Å; L671-W702 HydrophobicContact CG-CZ3 4.38Å; H689-W702 WeakPolarHBondContact CA-O 3.2Å; L690-W702 HydrophobicContact CB-CB 4.04Å; L690-W702 HydrophobicContact CB-CG 4.44Å; L690-W702 HydrophobicContact CD2-CB 4.32Å; L690-W702 HydrophobicContact CD2-CG 4.14Å; L690-W702 HydrophobicContact CG-CG 4.49Å; L690-W702 PolarHBondContact N-O 2.98Å; L690-W702 PolarHBondContact O-N 3.39Å; S692-W702 PolarHBondContact OG-NE1 2.97Å; R700-W702 HydrophobicContact CB-CZ2 4.21Å
703	E	92.6	Very high	87.8	Confident	88 Å²	88	56 Å²	56	41%	0.411	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	137	-177.5	-179.5	168.7	-163.4	0	0	110.2	Y10 A11 H689 T705	Y10-E703 WeakPolarHBondContact CA-O 3.28Å; A11-E703 PolarHBondContact N-O 2.86Å; A11-E703 PolarHBondContact O-N 3.41Å; H689-E703 IonicContact CE1-OE1 3.96Å; E703-T705 PolarHBondContact O-N 3.45Å
704	R	91.4	Very high	86.9	Confident	94 Å²	94	57.2 Å²	57.2	36%	0.355	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	110.4	175.3	-160.8	179.5	88.4	177.3	7.2	109.7	L8 Y10 D688	L8-R704 HydrophobicContact CB-CG 3.86Å; Y10-R704 HydrophobicContact CD1-CB 4.15Å; Y10-R704 HydrophobicContact CD2-CG 4.26Å; Y10-R704 HydrophobicContact CE1-CB 3.82Å; Y10-R704 HydrophobicContact CE1-CG 4.27Å; Y10-R704 HydrophobicContact CE2-CB 4.34Å; Y10-R704 HydrophobicContact CE2-CG 3.88Å; D688-R704 WeakPolarHBondContact O-CB 3.41Å; D688-R704 PolarHBondContact O-N 2.98Å; D688-R704 IonicContact OD1-CZ 3.58Å; D688-R704 IonicContact OD1-NE 2.71Å; D688-R704 IonicContact OD1-NH2 3.18Å
705	T	89.5	Confident	86.2	Confident	39 Å²	39	63.3 Å²	63.3	24%	0.239	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	170.7	176.3	67.6	0	0	0	0	111.2	R9 A11 E703 E707	R9-T705 PolarHBondContact O-N 3.27Å; R9-T705 PolarHBondContact O-OG1 3.32Å; A11-T705 HydrophobicContact CB-CG2 3.71Å; E703-T705 PolarHBondContact O-N 3.45Å; T705-E707 VanDerWaalsContact C-N 3.27Å
706	R	86.1	Confident	85.5	Confident	241 Å²	241	65 Å²	65	91%	0.909	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	1.2	175.6	-63.2	-177.5	-176.3	175.2	1.3	113	P708	R706-P708 WeakPolarHBondContact O-CD 2.73Å
707	E	85.4	Confident	85.1	Confident	116 Å²	116	69 Å²	69	54%	0.542	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	122.2	-179	-65.5	179.9	177.7	0	0	109.5	R9 T705	R9-E707 HydrophobicContact CB-CB 4.35Å; R9-E707 PolarHBondContact N-O 2.7Å; T705-E707 VanDerWaalsContact C-N 3.27Å
708	P	85.4	Confident	84.4	Confident	78 Å²	78	71 Å²	71	51%	0.506	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	136.4	173.8	30.3	-32.5	0	0	0	110.1	Y7 R706	Y7-P708 CarbonylContact O-C 3.46Å; Y7-P708 VanDerWaalsContact O-CA 3.26Å; Y7-P708 WeakPolarHBondContact O-CA 3.39Å; R706-P708 WeakPolarHBondContact O-CD 2.73Å
709	I	80.9	Confident	83.8	Confident	19 Å²	19	78.3 Å²	78.3	10%	0.097	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	134.8	172.9	-64.1	168.6	0	0	0	109.6	Y7 R9 I668 Q669 E714	Y7-I709 PolarHBondContact O-N 3.12Å; R9-I709 VanDerWaalsContact CA-CD1 3.46Å; R9-I709 HydrophobicContact CB-CD1 3.76Å; R9-I709 HydrophobicContact CB-CG1 3.66Å; R9-I709 HydrophobicContact CG-CD1 4.06Å; R9-I709 HydrophobicContact CG-CG1 4.17Å; I668-I709 HydrophobicContact CG2-CD1 4.29Å; Q669-I709 HydrophobicContact CB-CD1 4.12Å; Q669-I709 HydrophobicContact CG-CD1 4.24Å; I709-E714 WeakPolarHBondContact CD1-OE1 3.25Å; I709-E714 HydrophobicContact CG2-CG 3.76Å; I709-E714 WeakPolarHBondContact CG2-OE1 3.44Å
710	I	82	Confident	82.9	Confident	87 Å²	87	83.2 Å²	83.2	45%	0.446	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-101.5	117.3	165.7	-59.3	169.2	0	0	0	107.5	E712 E713 E714	I710-E712 HydrophobicContact CG2-CB 4.35Å; I710-E712 PolarHBondContact O-N 3.33Å; I710-E712 VanDerWaalsContact O-N 3.14Å; I710-E713 HydrophobicContact CB-CB 4.42Å; I710-E713 HydrophobicContact CB-CG 4.01Å; I710-E713 HydrophobicContact CG2-CG 4.15Å; I710-E713 PolarHBondContact O-N 2.98Å; I710-E713 VanDerWaalsContact O-N 3.11Å; I710-E714 PolarHBondContact O-N 3.35Å
711	L	78	Confident	82	Confident	34 Å²	34	85 Å²	85	18%	0.178	39%	0.392	C	S	.	.	H	α-helix	trans	-60.6	-27.1	-173.5	-61.6	177.3	0	0	0	113.6	Y7 I668 R715	Y7-L711 HydrophobicContact CD2-CD2 4.15Å; Y7-L711 HydrophobicContact CD2-CG 4.38Å; Y7-L711 HydrophobicContact CE2-CD1 4.05Å; Y7-L711 HydrophobicContact CE2-CD2 4.37Å; Y7-L711 HydrophobicContact CE2-CG 4.4Å; I668-L711 HydrophobicContact CB-CD2 4.42Å; I668-L711 HydrophobicContact CG2-CD2 4.32Å; L711-R715 WeakPolarHBondContact O-CG 3.31Å; L711-R715 PolarHBondContact O-N 3.19Å
712	E	77.1	Confident	81	Confident	144 Å²	144	90.8 Å²	90.8	67%	0.673	42%	0.419	S	S	*	.	H	α-helix	trans	-70.7	-40.3	177.5	-66.8	179.9	172.8	0	0	111.9	I710 E714 R715 E716	I710-E712 HydrophobicContact CG2-CB 4.35Å; I710-E712 PolarHBondContact O-N 3.33Å; I710-E712 VanDerWaalsContact O-N 3.14Å; E712-E714 VanDerWaalsContact C-N 3.34Å; E712-E714 PolarHBondContact O-N 2.83Å; E712-R715 PolarHBondContact O-N 3.41Å; E712-E716 PolarHBondContact O-N 3.22Å
713	E	77.6	Confident	79.9	Confident	109 Å²	109	96 Å²	96	51%	0.509	44%	0.442	S	S	.	.	H	α-helix	trans	-65.5	-37.5	179	-66.1	-179.4	166.1	0	0	111.6	I710 E716 M717	I710-E713 HydrophobicContact CB-CB 4.42Å; I710-E713 HydrophobicContact CB-CG 4.01Å; I710-E713 HydrophobicContact CG2-CG 4.15Å; I710-E713 PolarHBondContact O-N 2.98Å; I710-E713 VanDerWaalsContact O-N 3.11Å; E713-E716 PolarHBondContact O-N 2.63Å; E713-M717 WeakPolarHBondContact O-CB 3.4Å; E713-M717 PolarHBondContact O-N 3.14Å
714	E	75.8	Confident	78.9	Confident	25 Å²	25	96.1 Å²	96.1	12%	0.117	44%	0.443	C	S	.	.	H	α-helix	trans	-68.8	-37.9	176.5	-70.4	-155.3	176.3	0	0	112.4	Q669 I709 I710 E712 E716 M717 E718	Q669-E714 WeakPolarHBondContact CA-OE2 3.38Å; I709-E714 WeakPolarHBondContact CD1-OE1 3.25Å; I709-E714 HydrophobicContact CG2-CG 3.76Å; I709-E714 WeakPolarHBondContact CG2-OE1 3.44Å; I710-E714 PolarHBondContact O-N 3.35Å; 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 3.38Å; E714-M717 PolarHBondContact O-N 2.6Å; E714-E718 WeakPolarHBondContact O-CG 3.39Å; E714-E718 PolarHBondContact O-N 3.13Å
715	R	77.7	Confident	77.7	Confident	128 Å²	128	97 Å²	97	48%	0.483	45%	0.451	S	S	.	.	H	α-helix	trans	-66.1	-31.4	173.2	-70.7	177.3	-176.9	171	5.5	112.3	L711 E712 R719	L711-R715 WeakPolarHBondContact O-CG 3.31Å; L711-R715 PolarHBondContact O-N 3.19Å; E712-R715 PolarHBondContact O-N 3.41Å; R715-R719 WeakPolarHBondContact O-CG 3.2Å; R715-R719 PolarHBondContact O-N 3.21Å; R715-R719 PolarHBondContact O-NE 2.85Å
716	E	76.1	Confident	76.9	Confident	101 Å²	101	98.2 Å²	98.2	47%	0.472	46%	0.46	S	S	.	.	H	α-helix	trans	-68.9	-45.4	171.2	-78	-178.6	171.9	0	0	111.1	E712 E713 E714 E718 R719 E720	E712-E716 PolarHBondContact O-N 3.22Å; E713-E716 PolarHBondContact O-N 2.63Å; E714-E716 VanDerWaalsContact C-N 3.27Å; E714-E716 PolarHBondContact O-N 3.38Å; E716-E718 VanDerWaalsContact C-N 3.34Å; E716-E718 PolarHBondContact O-N 2.84Å; E716-R719 PolarHBondContact O-N 2.72Å; E716-R719 IonicContact OE1-NH2 3.22Å; E716-E720 WeakPolarHBondContact O-CG 3.17Å; E716-E720 PolarHBondContact O-N 3.5Å
717	M	78	Confident	75.9	Confident	102 Å²	102	90.4 Å²	90.4	50%	0.502	44%	0.435	S	S	.	.	H	α-helix	trans	-61.4	-40	177.2	-166.1	-179.1	-53.9	0	0	112.7	E713 E714 E720 A721	E713-M717 WeakPolarHBondContact O-CB 3.4Å; E713-M717 PolarHBondContact O-N 3.14Å; E714-M717 PolarHBondContact O-N 2.6Å; M717-E720 PolarHBondContact O-N 2.82Å; M717-A721 WeakPolarHBondContact O-CB 3.38Å; M717-A721 PolarHBondContact O-N 2.93Å
718	E	74.8	Confident	74.8	Confident	63 Å²	63	86.5 Å²	86.5	29%	0.294	42%	0.423	S	S	.	.	H	α-helix	trans	-64.3	-44.8	174.2	-75.2	-176.4	164.7	0	0	111.5	T670 E714 E716 E720 A721 E722	T670-E718 WeakPolarHBondContact CB-OE1 3.39Å; T670-E718 WeakPolarHBondContact CG2-OE1 3.31Å; T670-E718 PolarHBondContact OG1-OE1 3.08Å; E714-E718 WeakPolarHBondContact O-CG 3.39Å; E714-E718 PolarHBondContact O-N 3.13Å; E716-E718 VanDerWaalsContact C-N 3.34Å; E716-E718 PolarHBondContact O-N 2.84Å; E718-E720 VanDerWaalsContact C-N 3.34Å; E718-E720 PolarHBondContact O-N 2.82Å; E718-A721 PolarHBondContact O-N 2.88Å; E718-E722 WeakPolarHBondContact O-CG 3.31Å; E718-E722 PolarHBondContact O-N 2.98Å
719	R	77.6	Confident	73.6	Confident	152 Å²	152	90 Å²	90	57%	0.574	43%	0.43	S	S	*	.	H	α-helix	trans	-63.3	-39.1	175.6	-77.1	-175.2	-69.7	161.1	-2.5	112.4	R715 E716 A721 F723	R715-R719 WeakPolarHBondContact O-CG 3.2Å; R715-R719 PolarHBondContact O-N 3.21Å; R715-R719 PolarHBondContact O-NE 2.85Å; E716-R719 PolarHBondContact O-N 2.72Å; E716-R719 IonicContact OE1-NH2 3.22Å; R719-A721 VanDerWaalsContact C-N 3.35Å; R719-F723 VanDerWaalsContact O-CB 3.32Å; R719-F723 WeakPolarHBondContact O-CB 3.38Å; R719-F723 PolarHBondContact O-N 3.39Å
720	E	75.1	Confident	72.5	Confident	104 Å²	104	91 Å²	91	49%	0.486	45%	0.445	S	S	.	.	H	α-helix	trans	-63.1	-41.1	174.2	-75.4	-172.5	-179.1	0	0	111.7	E716 M717 E718 F723 E724	E716-E720 WeakPolarHBondContact O-CG 3.17Å; E716-E720 PolarHBondContact O-N 3.5Å; M717-E720 PolarHBondContact O-N 2.82Å; E718-E720 VanDerWaalsContact C-N 3.34Å; E718-E720 PolarHBondContact O-N 2.82Å; E720-F723 PolarHBondContact O-N 3.24Å; E720-E724 PolarHBondContact O-N 2.8Å
721	A	72.8	Confident	71.1	Confident	43 Å²	43	94 Å²	94	36%	0.355	46%	0.462	S	S	.	.	H	α-helix	trans	-68.6	-40.8	177.7	0	0	0	0	0	112.4	M717 E718 R719 F723 E724 E725	M717-A721 WeakPolarHBondContact O-CB 3.38Å; M717-A721 PolarHBondContact O-N 2.93Å; E718-A721 PolarHBondContact O-N 2.88Å; R719-A721 VanDerWaalsContact C-N 3.35Å; A721-F723 VanDerWaalsContact C-N 3.31Å; A721-F723 PolarHBondContact O-N 2.86Å; A721-E724 VanDerWaalsContact O-CB 3.28Å; A721-E724 WeakPolarHBondContact O-CB 3.08Å; A721-E724 PolarHBondContact O-N 2.77Å; A721-E725 PolarHBondContact O-N 2.95Å
722	E	73.1	Confident	70	Confident	133 Å²	133	94.2 Å²	94.2	62%	0.621	47%	0.468	S	S	*	.	H	α-helix	trans	-62.7	-41.1	173.1	-73.1	178.3	177.2	0	0	111.3	E718 E724 E725 S726	E718-E722 WeakPolarHBondContact O-CG 3.31Å; E718-E722 PolarHBondContact O-N 2.98Å; E722-E724 VanDerWaalsContact C-N 3.33Å; E722-E725 PolarHBondContact O-N 2.8Å; E722-S726 PolarHBondContact O-N 3.08Å
723	F	72	Confident	68.8	Low	116 Å²	116	89.2 Å²	89.2	51%	0.509	45%	0.449	S	S	.	.	H	α-helix	trans	-63.1	-40.1	173.5	-175.9	-103.8	0	0	0	111.5	R719 E720 A721 E725 S726 M727	R719-F723 VanDerWaalsContact O-CB 3.32Å; R719-F723 WeakPolarHBondContact O-CB 3.38Å; R719-F723 PolarHBondContact O-N 3.39Å; E720-F723 PolarHBondContact O-N 3.24Å; A721-F723 VanDerWaalsContact C-N 3.31Å; A721-F723 PolarHBondContact O-N 2.86Å; F723-E725 PolarHBondContact O-N 3Å; F723-S726 PolarHBondContact O-N 2.92Å; F723-S726 PolarHBondContact O-OG 3.03Å; F723-M727 HydrophobicContact CD1-CG 4.09Å; F723-M727 HydrophobicContact CE1-CE 3.86Å; F723-M727 HydrophobicContact CE1-CG 3.65Å; F723-M727 HydrophobicContact CE1-SD 4.29Å; F723-M727 HydrophobicContact CE2-CG 4.31Å; F723-M727 HydrophobicContact CZ-CE 4.04Å; F723-M727 HydrophobicContact CZ-CG 3.77Å; F723-M727 HydrophobicContact CZ-SD 4.1Å; F723-M727 WeakPolarHBondContact O-CB 3.47Å; F723-M727 WeakPolarHBondContact O-CG 3.45Å; F723-M727 PolarHBondContact O-N 3.38Å
724	E	69.9	Low	67.6	Low	91 Å²	91	89.8 Å²	89.8	43%	0.425	46%	0.459	S	S	.	.	H	α-helix	trans	-57.6	-48.6	173.4	-165.9	171.9	-166.4	0	0	111.9	E720 A721 E722 S726 M727 A728 I751	E720-E724 PolarHBondContact O-N 2.8Å; A721-E724 VanDerWaalsContact O-CB 3.28Å; A721-E724 WeakPolarHBondContact O-CB 3.08Å; A721-E724 PolarHBondContact O-N 2.77Å; E722-E724 VanDerWaalsContact C-N 3.33Å; E724-S726 VanDerWaalsContact C-N 3.26Å; E724-S726 PolarHBondContact O-N 2.67Å; E724-M727 PolarHBondContact O-N 3.26Å; E724-A728 WeakPolarHBondContact O-CB 3.23Å; E724-A728 PolarHBondContact O-N 3.16Å; E724-I751 HydrophobicContact CB-CD1 3.4Å; E724-I751 HydrophobicContact CB-CG1 4.35Å; E724-I751 HydrophobicContact CG-CD1 3.53Å; E724-I751 HydrophobicContact CG-CG1 4.08Å
725	E	67.4	Low	66.6	Low	113 Å²	113	89.7 Å²	89.7	53%	0.528	46%	0.461	S	S	.	.	H	α-helix	trans	-62.9	-36.8	179.2	-159.9	-168.8	151.5	0	0	111.2	A721 E722 F723 K729	A721-E725 PolarHBondContact O-N 2.95Å; E722-E725 PolarHBondContact O-N 2.8Å; F723-E725 PolarHBondContact O-N 3Å; E725-K729 WeakPolarHBondContact O-CG 3.38Å; E725-K729 PolarHBondContact O-N 3.18Å; E725-K729 WeakPolarHBondContact OE1-CE 3.31Å; E725-K729 IonicContact OE1-NZ 3.67Å; E725-K729 PolarHBondContact OE1-NZ 3.1Å
726	S	71.5	Confident	64.9	Low	63 Å²	63	88.9 Å²	88.9	44%	0.441	47%	0.472	S	S	.	.	H	α-helix	trans	-67.8	-42.7	175.4	81.9	0	0	0	0	112.6	E722 F723 E724 A728 K729 G730	E722-S726 PolarHBondContact O-N 3.08Å; F723-S726 PolarHBondContact O-N 2.92Å; F723-S726 PolarHBondContact O-OG 3.03Å; E724-S726 VanDerWaalsContact C-N 3.26Å; E724-S726 PolarHBondContact O-N 2.67Å; S726-A728 VanDerWaalsContact C-N 3.34Å; S726-A728 PolarHBondContact O-N 2.64Å; S726-K729 PolarHBondContact O-N 3.21Å; S726-G730 PolarHBondContact O-N 3.42Å; S726-G730 VanDerWaalsContact O-N 3.16Å
727	M	66.3	Low	63.6	Low	77 Å²	77	88 Å²	88	38%	0.379	49%	0.49	S	S	.	.	H	α-helix	trans	-65.6	-38	176.7	-81.1	-87.2	-105.6	0	0	111.5	F723 E724 K729 G730 V754	F723-M727 HydrophobicContact CD1-CG 4.09Å; F723-M727 HydrophobicContact CE1-CE 3.86Å; F723-M727 HydrophobicContact CE1-CG 3.65Å; F723-M727 HydrophobicContact CE1-SD 4.29Å; F723-M727 HydrophobicContact CE2-CG 4.31Å; F723-M727 HydrophobicContact CZ-CE 4.04Å; F723-M727 HydrophobicContact CZ-CG 3.77Å; F723-M727 HydrophobicContact CZ-SD 4.1Å; F723-M727 WeakPolarHBondContact O-CB 3.47Å; F723-M727 WeakPolarHBondContact O-CG 3.45Å; F723-M727 PolarHBondContact O-N 3.38Å; E724-M727 PolarHBondContact O-N 3.26Å; M727-K729 PolarHBondContact O-N 3.44Å; M727-G730 PolarHBondContact O-N 2.97Å; M727-G730 VanDerWaalsContact O-N 3.12Å; M727-V754 HydrophobicContact CE-CG2 4.26Å
728	A	60.8	Low	62.4	Low	34 Å²	34	87.3 Å²	87.3	28%	0.281	49%	0.485	S	S	.	.	H	α-helix	trans	-64.1	-26.6	176.2	0	0	0	0	0	113.3	E724 S726	E724-A728 WeakPolarHBondContact O-CB 3.23Å; E724-A728 PolarHBondContact O-N 3.16Å; S726-A728 VanDerWaalsContact C-N 3.34Å; S726-A728 PolarHBondContact O-N 2.64Å
729	K	61.3	Low	61	Low	151 Å²	151	90.6 Å²	90.6	66%	0.657	51%	0.51	S	S	*	.	H	α-helix	trans	-87.4	-16.2	174.9	-70	172.2	-172.5	164.2	0	113.2	E725 S726 M727	E725-K729 WeakPolarHBondContact O-CG 3.38Å; E725-K729 PolarHBondContact O-N 3.18Å; E725-K729 WeakPolarHBondContact OE1-CE 3.31Å; E725-K729 IonicContact OE1-NZ 3.67Å; E725-K729 PolarHBondContact OE1-NZ 3.1Å; S726-K729 PolarHBondContact O-N 3.21Å; M727-K729 PolarHBondContact O-N 3.44Å
730	G	56.7	Low	59.6	Low	40 Å²	40	92.3 Å²	92.3	41%	0.412	52%	0.524	S	S	.	.	S	Bend	trans	-63.2	148.3	178.1	0	0	0	0	0	112.7	S726 M727	S726-G730 PolarHBondContact O-N 3.42Å; S726-G730 VanDerWaalsContact O-N 3.16Å; M727-G730 PolarHBondContact O-N 2.97Å; M727-G730 VanDerWaalsContact O-N 3.12Å
731	D	53.6	Low	58.6	Low	152 Å²	152	89.3 Å²	89.3	81%	0.813	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-64.9	149.8	179.4	-97.7	-32	0	0	0	112.7	K108	K108-D731 IonicContact NZ-OD1 3.65Å
732	A	55.6	Low	58	Low	37 Å²	37	91.6 Å²	91.6	31%	0.306	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-59.4	146.8	-176.8	0	0	0	0	0	110.6	V734	A732-V734 PolarHBondContact O-N 3.23Å
733	P	52	Low	57.3	Low	40 Å²	40	86.7 Å²	86.7	26%	0.26	51%	0.507	S	S	.	.			trans	-59.6	110.9	170.7	24.6	-32	0	0	0	109.7	V735 K749 L826	P733-V735 PolarHBondContact O-N 3.39Å; P733-K749 HydrophobicContact CB-CD 4.45Å; P733-K749 HydrophobicContact CG-CD 4.21Å; P733-K749 HydrophobicContact CG-CG 4.25Å; P733-L826 HydrophobicContact CB-CD2 3.96Å; P733-L826 HydrophobicContact CG-CD2 3.65Å
734	V	51.9	Low	57.1	Low	120 Å²	120	82.4 Å²	82.4	73%	0.727	49%	0.493	S	S	*	.			trans	-66.3	115	165.6	179.4	0	0	0	0	106.4	A732 P736	A732-V734 PolarHBondContact O-N 3.23Å; V734-P736 VanDerWaalsContact O-CD 3.27Å; V734-P736 WeakPolarHBondContact O-CD 3.35Å
735	V	54.2	Low	56.8	Low	24 Å²	24	81 Å²	81	15%	0.145	49%	0.492	C	S	.	.			trans	-68.1	118.7	170.8	179.7	0	0	0	0	106.7	P733 G737 E738 L826	P733-V735 PolarHBondContact O-N 3.39Å; V735-G737 PolarHBondContact O-N 3.35Å; V735-E738 PolarHBondContact O-N 3.48Å; V735-L826 HydrophobicContact CG2-CD1 4.4Å
736	P	41.9	Very low	56.5	Low	110 Å²	110	76.2 Å²	76.2	71%	0.714	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	106.2	-179.5	-22.2	34.3	0	0	0	110.6	V734	V734-P736 VanDerWaalsContact O-CD 3.27Å; V734-P736 WeakPolarHBondContact O-CD 3.35Å
737	G	48.8	Very low	56.2	Low	83 Å²	83	74.1 Å²	74.1	86%	0.856	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	122.2	-10.8	177.2	0	0	0	0	0	116.3	V735	V735-G737 PolarHBondContact O-N 3.35Å
738	E	53.8	Low	56.4	Low	88 Å²	88	72.2 Å²	72.2	41%	0.411	45%	0.45	S	S	.	.			trans	-89.1	120.7	170	-80.3	-176.1	166.2	0	0	110	V735 K862	V735-E738 PolarHBondContact O-N 3.48Å; E738-K862 IonicContact OE1-NZ 3.39Å
739	T	45.3	Very low	56.8	Low	132 Å²	132	74.7 Å²	74.7	81%	0.81	45%	0.454	S	S	*	.			trans	-65.1	143.5	161.6	44.4	0	0	0	0	108.7	G741	T739-G741 PolarHBondContact O-N 3.43Å
740	E	47.7	Very low	57.2	Low	187 Å²	187	68.3 Å²	68.3	87%	0.874	43%	0.428	S	S	*	.			trans	-60.4	81.8	176.1	-63.9	-172.2	155.3	0	0	111.4
741	G	54.1	Low	58.1	Low	42 Å²	42	67.9 Å²	67.9	43%	0.433	42%	0.417	S	S	.	.			trans	-79.1	167.3	171.3	0	0	0	0	0	111.5	T739 A743	T739-G741 PolarHBondContact O-N 3.43Å; G741-A743 PolarHBondContact O-N 3.49Å; G741-A743 VanDerWaalsContact O-N 3.13Å
742	E	59.3	Low	59.3	Low	90 Å²	90	64.9 Å²	64.9	42%	0.421	40%	0.398	S	S	.	.	S	Bend	trans	-61.9	-17.1	175.6	-62.5	-166.8	152.3	0	0	113.2	R147 C184	R147-E742 PolarHBondContact N-O 3.2Å; C184-E742 PolarHBondContact N-OE2 2.83Å
743	A	59.4	Low	60.6	Low	31 Å²	31	63.2 Å²	63.2	26%	0.256	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.5	177.1	0	0	0	0	0	111.9	R145 Q182 G741	R145-A743 VanDerWaalsContact O-CA 3.31Å; R145-A743 WeakPolarHBondContact O-CA 3.25Å; Q182-A743 HydrophobicContact CB-CB 3.87Å; G741-A743 PolarHBondContact O-N 3.49Å; G741-A743 VanDerWaalsContact O-N 3.13Å
744	A	67.5	Low	62.1	Low	25 Å²	25	62.9 Å²	62.9	21%	0.207	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	158.2	175	0	0	0	0	0	111.3	R145 A746	R145-A744 HydrophobicContact CB-CB 4.37Å; R145-A744 WeakPolarHBondContact CB-O 3.47Å; R145-A744 PolarHBondContact N-O 2.9Å; R145-A744 PolarHBondContact O-N 2.83Å; A744-A746 PolarHBondContact O-N 2.83Å
745	P	64.3	Low	63.7	Low	61 Å²	61	61.6 Å²	61.6	40%	0.396	37%	0.365	S	S	.	.			trans	-62.5	135.7	169.6	24.2	-31.6	0	0	0	110.7	G747	P745-G747 PolarHBondContact O-N 2.87Å
746	A	61.3	Low	65.3	Low	13 Å²	13	60.5 Å²	60.5	11%	0.107	36%	0.359	C	S	.	.			trans	-87.6	103.5	-176	0	0	0	0	0	110.7	I133 R145 A744	I133-A746 HydrophobicContact CD1-CB 4.48Å; I133-A746 HydrophobicContact CG2-CB 3.54Å; R145-A746 HydrophobicContact CB-CB 4.24Å; A744-A746 PolarHBondContact O-N 2.83Å
747	G	64.3	Low	67.6	Low	19 Å²	19	55.2 Å²	55.2	20%	0.196	33%	0.325	C	S	.	.			trans	-170.7	141.4	173.1	0	0	0	0	0	113.7	P745 I823	P745-G747 PolarHBondContact O-N 2.87Å; G747-I823 VanDerWaalsContact CA-CD1 3.41Å
748	K	70.5	Confident	69.5	Low	38 Å²	38	55.5 Å²	55.5	17%	0.165	30%	0.303	C	S	.	.			trans	-112.1	132.8	173.9	-174.6	-178.8	-178.8	-177.5	0	109.9	N105 S750	N105-K748 PolarHBondContact O-N 2.94Å; K748-S750 PolarHBondContact O-N 3.13Å
749	K	68.9	Low	71.3	Confident	86 Å²	86	57 Å²	57	37%	0.374	31%	0.305	S	S	.	.			trans	-63.4	120.8	170.8	-71.6	-178.7	170.4	177.1	0	109.3	P733 I823 V827	P733-K749 HydrophobicContact CB-CD 4.45Å; P733-K749 HydrophobicContact CG-CD 4.21Å; P733-K749 HydrophobicContact CG-CG 4.25Å; K749-I823 HydrophobicContact CG-CG2 4.24Å; K749-V827 HydrophobicContact CD-CG2 4.49Å; K749-V827 HydrophobicContact CG-CG2 4.48Å
750	S	70.9	Confident	73.5	Confident	16 Å²	16	50.7 Å²	50.7	11%	0.112	27%	0.267	C	S	.	.			trans	-117.8	160.2	175.2	70.1	0	0	0	0	110.6	K748 E752 T753 V754	K748-S750 PolarHBondContact O-N 3.13Å; S750-E752 PolarHBondContact O-N 3.1Å; S750-T753 PolarHBondContact N-OG1 2.8Å; S750-T753 PolarHBondContact O-N 3.17Å; S750-T753 VanDerWaalsContact O-N 3.09Å; S750-T753 PolarHBondContact O-OG1 3.01Å; S750-T753 VanDerWaalsContact OG-CG2 3.3Å; S750-T753 WeakPolarHBondContact OG-CG2 3.3Å; S750-T753 PolarHBondContact OG-N 3.45Å; S750-T753 VanDerWaalsContact OG-N 3.15Å; S750-T753 PolarHBondContact OG-OG1 3.1Å; S750-V754 PolarHBondContact O-N 2.85Å; S750-V754 VanDerWaalsContact O-N 3.07Å
751	I	75	Confident	75.5	Confident	32 Å²	32	43.5 Å²	43.5	16%	0.164	23%	0.234	C	C	.	.	H	α-helix	trans	-57.7	-37.8	174.3	-68.5	178.9	0	0	0	110.7	E724 T753 V754 K755	E724-I751 HydrophobicContact CB-CD1 3.4Å; E724-I751 HydrophobicContact CB-CG1 4.35Å; E724-I751 HydrophobicContact CG-CD1 3.53Å; E724-I751 HydrophobicContact CG-CG1 4.08Å; I751-T753 VanDerWaalsContact C-N 3.32Å; I751-T753 PolarHBondContact O-N 3.21Å; I751-V754 PolarHBondContact O-N 2.55Å; I751-K755 HydrophobicContact CG2-CD 3.85Å; I751-K755 VanDerWaalsContact CG2-CE 3.49Å; I751-K755 HydrophobicContact CG2-CG 4.14Å; I751-K755 WeakPolarHBondContact O-CB 3.48Å; I751-K755 WeakPolarHBondContact O-CG 3.48Å; I751-K755 PolarHBondContact O-N 3.4Å
752	E	78.6	Confident	77.3	Confident	89 Å²	89	47.6 Å²	47.6	42%	0.416	24%	0.242	S	C	.	.	H	α-helix	trans	-62.8	-39.3	178	-60.2	-176.9	144	0	0	111.6	S750 K755 A756 R817	S750-E752 PolarHBondContact O-N 3.1Å; E752-K755 PolarHBondContact O-N 3.05Å; E752-A756 VanDerWaalsContact O-CB 3.27Å; E752-A756 WeakPolarHBondContact O-CB 3.24Å; E752-A756 PolarHBondContact O-N 3.42Å; E752-R817 IonicContact OE1-NH2 2.59Å; E752-R817 PolarHBondContact OE1-NH2 3.11Å; E752-R817 IonicContact OE2-CZ 2.73Å; E752-R817 IonicContact OE2-NH1 2.63Å; E752-R817 IonicContact OE2-NH2 2.78Å; E752-R817 PolarHBondContact OE2-NH2 3.14Å
753	T	82.4	Confident	78.8	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-67.4	-36.1	174.4	60.1	0	0	0	0	112.6	S750 I751 A756 A757 E820 I823 S824	S750-T753 PolarHBondContact N-OG1 2.8Å; S750-T753 PolarHBondContact O-N 3.17Å; S750-T753 VanDerWaalsContact O-N 3.09Å; S750-T753 PolarHBondContact O-OG1 3.01Å; S750-T753 VanDerWaalsContact OG-CG2 3.3Å; S750-T753 WeakPolarHBondContact OG-CG2 3.3Å; S750-T753 PolarHBondContact OG-N 3.45Å; S750-T753 VanDerWaalsContact OG-N 3.15Å; S750-T753 PolarHBondContact OG-OG1 3.1Å; I751-T753 VanDerWaalsContact C-N 3.32Å; I751-T753 PolarHBondContact O-N 3.21Å; T753-A756 PolarHBondContact O-N 3Å; T753-A757 WeakPolarHBondContact O-CB 3.43Å; T753-A757 PolarHBondContact O-N 2.69Å; T753-E820 HydrophobicContact CG2-CB 3.85Å; T753-E820 HydrophobicContact CG2-CG 3.92Å; T753-I823 HydrophobicContact CG2-CB 3.95Å; T753-I823 HydrophobicContact CG2-CG2 3.88Å; T753-S824 PolarHBondContact O-OG 2.81Å
754	V	84.3	Confident	80.3	Confident	34 Å²	34	41.9 Å²	41.9	21%	0.206	21%	0.21	C	C	.	.	H	α-helix	trans	-68.6	-47.5	175.5	178.3	0	0	0	0	110.1	M727 S750 I751 A756 A757 E758	M727-V754 HydrophobicContact CE-CG2 4.26Å; S750-V754 PolarHBondContact O-N 2.85Å; S750-V754 VanDerWaalsContact O-N 3.07Å; I751-V754 PolarHBondContact O-N 2.55Å; V754-A756 PolarHBondContact O-N 3.13Å; V754-A757 WeakPolarHBondContact O-CB 3.35Å; V754-A757 PolarHBondContact O-N 2.86Å; V754-A757 VanDerWaalsContact O-N 3.11Å; V754-E758 HydrophobicContact CG1-CG 4.48Å; V754-E758 WeakPolarHBondContact O-CG 3.2Å; V754-E758 PolarHBondContact O-N 2.89Å
755	K	86.4	Confident	81.3	Confident	92 Å²	92	44.7 Å²	44.7	40%	0.4	22%	0.219	S	C	.	.	H	α-helix	trans	-60.4	-32.1	174.4	-72.1	-179.4	178.2	178.5	0	112.2	I751 E752 R759	I751-K755 HydrophobicContact CG2-CD 3.85Å; I751-K755 VanDerWaalsContact CG2-CE 3.49Å; I751-K755 HydrophobicContact CG2-CG 4.14Å; I751-K755 WeakPolarHBondContact O-CB 3.48Å; I751-K755 WeakPolarHBondContact O-CG 3.48Å; I751-K755 PolarHBondContact O-N 3.4Å; E752-K755 PolarHBondContact O-N 3.05Å; K755-R759 WeakPolarHBondContact O-CB 3.4Å; K755-R759 VanDerWaalsContact O-CG 3.28Å; K755-R759 WeakPolarHBondContact O-CG 3.34Å; K755-R759 PolarHBondContact O-N 3.44Å; K755-R759 VanDerWaalsContact O-N 3.15Å; K755-R759 PolarHBondContact O-NE 2.93Å
756	A	87.2	Confident	82.5	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-72.3	-43	174.4	0	0	0	0	0	111.5	E752 T753 V754 R759 I760 V816	E752-A756 VanDerWaalsContact O-CB 3.27Å; E752-A756 WeakPolarHBondContact O-CB 3.24Å; E752-A756 PolarHBondContact O-N 3.42Å; T753-A756 PolarHBondContact O-N 3Å; V754-A756 PolarHBondContact O-N 3.13Å; A756-R759 PolarHBondContact O-N 2.98Å; A756-I760 WeakPolarHBondContact O-CG1 3.28Å; A756-I760 PolarHBondContact O-N 3.26Å; A756-V816 HydrophobicContact CB-CG1 4.03Å; A756-V816 HydrophobicContact CB-CG2 4.01Å
757	A	88.9	Confident	83.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.8	-43.4	174.3	0	0	0	0	0	111.7	T753 V754 R759 I760 M761 S824 V827 L828	T753-A757 WeakPolarHBondContact O-CB 3.43Å; T753-A757 PolarHBondContact O-N 2.69Å; V754-A757 WeakPolarHBondContact O-CB 3.35Å; V754-A757 PolarHBondContact O-N 2.86Å; V754-A757 VanDerWaalsContact O-N 3.11Å; A757-R759 PolarHBondContact O-N 3.07Å; A757-I760 WeakPolarHBondContact O-CB 3.27Å; A757-I760 PolarHBondContact O-N 2.94Å; A757-I760 VanDerWaalsContact O-N 3.14Å; A757-M761 WeakPolarHBondContact O-CG 3.32Å; A757-M761 PolarHBondContact O-N 3.37Å; A757-S824 WeakPolarHBondContact CB-O 3.43Å; A757-V827 HydrophobicContact CB-CB 3.97Å; A757-V827 HydrophobicContact CB-CG1 3.91Å; A757-L828 HydrophobicContact CB-CD2 4.25Å
758	E	90.3	Very high	85.1	Confident	88 Å²	88	48.5 Å²	48.5	41%	0.411	22%	0.218	S	C	.	.	H	α-helix	trans	-58.5	-46.8	174.1	-73.3	170.9	172.9	0	0	111.8	V754 I760 M761 E762	V754-E758 HydrophobicContact CG1-CG 4.48Å; V754-E758 WeakPolarHBondContact O-CG 3.2Å; V754-E758 PolarHBondContact O-N 2.89Å; E758-I760 VanDerWaalsContact C-N 3.28Å; E758-I760 PolarHBondContact O-N 3.32Å; E758-M761 HydrophobicContact CB-CE 4.29Å; E758-M761 HydrophobicContact CG-CE 3.82Å; E758-M761 WeakPolarHBondContact O-CB 3.41Å; E758-M761 PolarHBondContact O-N 2.83Å; E758-M761 VanDerWaalsContact O-N 3.09Å; E758-E762 WeakPolarHBondContact O-CG 3.48Å; E758-E762 PolarHBondContact O-N 3.2Å
759	R	90.6	Very high	85.9	Confident	119 Å²	119	51 Å²	51	45%	0.449	23%	0.23	S	C	.	.	H	α-helix	trans	-58.4	-38.3	173.9	-79.1	178.7	-85.9	160.6	-10	112.9	K755 A756 A757 A763 V812	K755-R759 WeakPolarHBondContact O-CB 3.4Å; K755-R759 VanDerWaalsContact O-CG 3.28Å; K755-R759 WeakPolarHBondContact O-CG 3.34Å; K755-R759 PolarHBondContact O-N 3.44Å; K755-R759 VanDerWaalsContact O-N 3.15Å; K755-R759 PolarHBondContact O-NE 2.93Å; A756-R759 PolarHBondContact O-N 2.98Å; A757-R759 PolarHBondContact O-N 3.07Å; R759-A763 WeakPolarHBondContact O-CB 3.48Å; R759-A763 PolarHBondContact O-N 2.63Å; R759-A763 VanDerWaalsContact O-N 3.08Å; R759-V812 HydrophobicContact CB-CG1 4.24Å
760	I	90.9	Very high	86.6	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-68.4	-42	175.2	-66.3	165.7	0	0	0	110.5	A756 A757 E758 A763 L764 V812 I813 V816 L828	A756-I760 WeakPolarHBondContact O-CG1 3.28Å; A756-I760 PolarHBondContact O-N 3.26Å; A757-I760 WeakPolarHBondContact O-CB 3.27Å; A757-I760 PolarHBondContact O-N 2.94Å; A757-I760 VanDerWaalsContact O-N 3.14Å; E758-I760 VanDerWaalsContact C-N 3.28Å; E758-I760 PolarHBondContact O-N 3.32Å; I760-A763 PolarHBondContact O-N 3.21Å; I760-L764 HydrophobicContact CG2-CD1 4.03Å; I760-L764 HydrophobicContact CG2-CG 4.43Å; I760-L764 WeakPolarHBondContact O-CG 3.29Å; I760-L764 PolarHBondContact O-N 2.9Å; I760-V812 HydrophobicContact CG1-CG1 4.13Å; I760-I813 HydrophobicContact CG1-CG1 4.46Å; I760-V816 HydrophobicContact CD1-CG2 4.24Å; I760-L828 HydrophobicContact CB-CD2 4.44Å; I760-L828 HydrophobicContact CG2-CD1 4.21Å; I760-L828 HydrophobicContact CG2-CD2 4.25Å
761	M	90.6	Very high	87.3	Confident	37 Å²	37	49 Å²	49	18%	0.182	22%	0.223	C	C	.	.	H	α-helix	trans	-62	-47.9	177	-70.3	-175.3	-67.1	0	0	111.4	A757 E758 A763 L764 E765 L828 P829 Y832	A757-M761 WeakPolarHBondContact O-CG 3.32Å; A757-M761 PolarHBondContact O-N 3.37Å; E758-M761 HydrophobicContact CB-CE 4.29Å; E758-M761 HydrophobicContact CG-CE 3.82Å; E758-M761 WeakPolarHBondContact O-CB 3.41Å; E758-M761 PolarHBondContact O-N 2.83Å; E758-M761 VanDerWaalsContact O-N 3.09Å; M761-A763 VanDerWaalsContact C-N 3.29Å; M761-A763 PolarHBondContact O-N 3.46Å; M761-L764 PolarHBondContact O-N 2.8Å; M761-L764 VanDerWaalsContact O-N 3.13Å; M761-E765 WeakPolarHBondContact O-CG 3.42Å; M761-E765 PolarHBondContact O-N 2.91Å; M761-L828 HydrophobicContact CG-CD2 3.62Å; M761-L828 HydrophobicContact SD-CD2 4.34Å; M761-P829 HydrophobicContact SD-CG 4.19Å; M761-Y832 HydrophobicContact CB-CE1 4.42Å; M761-Y832 HydrophobicContact CG-CD2 4.36Å; M761-Y832 HydrophobicContact CG-CE2 4.22Å; M761-Y832 HydrophobicContact SD-CD2 4.45Å; M761-Y832 HydrophobicContact SD-CE2 4.04Å
762	E	91.4	Very high	87.9	Confident	128 Å²	128	54.2 Å²	54.2	60%	0.598	24%	0.241	S	C	*	.	H	α-helix	trans	-57.9	-41.6	175.2	-71.7	176.2	179.3	0	0	111.8	E758 E765 L766	E758-E762 WeakPolarHBondContact O-CG 3.48Å; E758-E762 PolarHBondContact O-N 3.2Å; E762-E765 PolarHBondContact O-N 2.69Å; E762-L766 WeakPolarHBondContact O-CB 3.33Å; E762-L766 PolarHBondContact O-N 3.44Å
763	A	90.8	Very high	88.2	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.008	23%	0.232	C	C	.	.	H	α-helix	trans	-66.1	-38.2	177.2	0	0	0	0	0	112.5	R759 I760 M761 Y767 Y808 V809 V812	R759-A763 WeakPolarHBondContact O-CB 3.48Å; R759-A763 PolarHBondContact O-N 2.63Å; R759-A763 VanDerWaalsContact O-N 3.08Å; I760-A763 PolarHBondContact O-N 3.21Å; M761-A763 VanDerWaalsContact C-N 3.29Å; M761-A763 PolarHBondContact O-N 3.46Å; A763-Y767 WeakPolarHBondContact O-CB 3.44Å; A763-Y767 PolarHBondContact O-N 2.84Å; A763-Y808 HydrophobicContact CB-CD1 4.19Å; A763-Y808 HydrophobicContact CB-CE1 3.9Å; A763-V809 HydrophobicContact CB-CG2 4.17Å; A763-V812 HydrophobicContact CB-CB 4.24Å; A763-V812 HydrophobicContact CB-CG1 4.28Å; A763-V812 HydrophobicContact CB-CG2 4Å
764	L	90.3	Very high	88.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-70.5	-37.7	176.5	-73.5	172.8	0	0	0	112.2	I760 M761 Y767 R768 V809 Y832 L836 L839	I760-L764 HydrophobicContact CG2-CD1 4.03Å; I760-L764 HydrophobicContact CG2-CG 4.43Å; I760-L764 WeakPolarHBondContact O-CG 3.29Å; I760-L764 PolarHBondContact O-N 2.9Å; M761-L764 PolarHBondContact O-N 2.8Å; M761-L764 VanDerWaalsContact O-N 3.13Å; L764-Y767 WeakPolarHBondContact O-CB 3.39Å; L764-Y767 PolarHBondContact O-N 3.48Å; L764-R768 WeakPolarHBondContact O-CB 3.44Å; L764-R768 PolarHBondContact O-N 3.4Å; L764-V809 HydrophobicContact CD2-CG1 3.99Å; L764-V809 HydrophobicContact CD2-CG2 4.37Å; L764-Y832 HydrophobicContact CB-CD1 4.11Å; L764-Y832 HydrophobicContact CD1-CD1 4.06Å; L764-Y832 HydrophobicContact CD1-CG 4.39Å; L764-L836 HydrophobicContact CD2-CD1 4.32Å; L764-L839 HydrophobicContact CD2-CD1 3.72Å
765	E	90.4	Very high	88.1	Confident	84 Å²	84	59.6 Å²	59.6	39%	0.393	27%	0.269	S	S	.	.	H	α-helix	trans	-65.2	-44.6	174.2	-72.8	180	-180	0	0	111.2	M761 E762 Y767 R768 E769 Y832	M761-E765 WeakPolarHBondContact O-CG 3.42Å; M761-E765 PolarHBondContact O-N 2.91Å; E762-E765 PolarHBondContact O-N 2.69Å; E765-Y767 VanDerWaalsContact C-N 3.27Å; E765-Y767 PolarHBondContact O-N 3.09Å; E765-R768 WeakPolarHBondContact O-CB 3.49Å; E765-R768 PolarHBondContact O-N 3.22Å; E765-R768 VanDerWaalsContact O-N 3.11Å; E765-E769 WeakPolarHBondContact O-CG 3.29Å; E765-E769 PolarHBondContact O-N 2.81Å; E765-Y832 HydrophobicContact CG-CE1 3.98Å; E765-Y832 PolarHBondContact OE1-OH 2.86Å
766	L	89	Confident	88.1	Confident	17 Å²	17	59.8 Å²	59.8	9%	0.089	27%	0.271	C	S	.	.	H	α-helix	trans	-58.4	-41.2	172.8	-174.5	148	0	0	0	111.4	E762 E769 E770 I796 L797 Y808	E762-L766 WeakPolarHBondContact O-CB 3.33Å; E762-L766 PolarHBondContact O-N 3.44Å; L766-E769 PolarHBondContact O-N 2.81Å; L766-E770 HydrophobicContact CD2-CG 4.38Å; L766-E770 WeakPolarHBondContact O-CB 3.23Å; L766-E770 WeakPolarHBondContact O-CG 3.05Å; L766-E770 PolarHBondContact O-N 2.85Å; L766-I796 HydrophobicContact CD1-CB 4.1Å; L766-I796 HydrophobicContact CD1-CD1 4.01Å; L766-I796 HydrophobicContact CD1-CG2 4.23Å; L766-L797 HydrophobicContact CD2-CD1 3.94Å; L766-L797 HydrophobicContact CD2-CD2 3.84Å; L766-L797 HydrophobicContact CD2-CG 3.91Å; L766-Y808 HydrophobicContact CD2-CD1 4.19Å
767	Y	89.6	Confident	87.8	Confident	56 Å²	56	62 Å²	62	22%	0.22	28%	0.281	C	S	.	.	H	α-helix	trans	-62.2	-43.4	174.2	170.3	-97.9	0	0	0	112.4	A763 L764 E765 E770 T771 P805 V809 L839	A763-Y767 WeakPolarHBondContact O-CB 3.44Å; A763-Y767 PolarHBondContact O-N 2.84Å; L764-Y767 WeakPolarHBondContact O-CB 3.39Å; L764-Y767 PolarHBondContact O-N 3.48Å; E765-Y767 VanDerWaalsContact C-N 3.27Å; E765-Y767 PolarHBondContact O-N 3.09Å; Y767-E770 PolarHBondContact O-N 3.11Å; Y767-T771 HydrophobicContact CD1-CG2 4.44Å; Y767-T771 HydrophobicContact CD2-CG2 4.06Å; Y767-T771 HydrophobicContact CE1-CG2 3.97Å; Y767-T771 HydrophobicContact CE2-CG2 3.51Å; Y767-T771 HydrophobicContact CG-CG2 4.48Å; Y767-T771 VanDerWaalsContact CZ-CG2 3.46Å; Y767-T771 WeakPolarHBondContact O-CB 3.31Å; Y767-T771 WeakPolarHBondContact O-CG2 2.96Å; Y767-T771 PolarHBondContact O-N 3.4Å; Y767-T771 PolarHBondContact O-OG1 3.05Å; Y767-P805 HydrophobicContact CD2-CB 3.84Å; Y767-V809 HydrophobicContact CG-CG2 4.5Å; Y767-L839 HydrophobicContact CD1-CD1 4.16Å; Y767-L839 HydrophobicContact CD2-CD2 4.27Å; Y767-L839 HydrophobicContact CE1-CD1 4.17Å; Y767-L839 HydrophobicContact CE1-CD2 3.97Å; Y767-L839 HydrophobicContact CE1-CG 4.18Å; Y767-L839 HydrophobicContact CE2-CD2 3.62Å; Y767-L839 HydrophobicContact CG-CD1 4.42Å; Y767-L839 VanDerWaalsContact CZ-CD2 3.44Å
768	R	89.1	Confident	87.4	Confident	100 Å²	100	68.2 Å²	68.2	38%	0.377	31%	0.308	S	S	.	.	H	α-helix	trans	-63.8	-42.3	177.7	-174.2	-172.8	-76.2	160.2	-2.4	111.6	L764 E765 T771 R772 E835	L764-R768 WeakPolarHBondContact O-CB 3.44Å; L764-R768 PolarHBondContact O-N 3.4Å; E765-R768 WeakPolarHBondContact O-CB 3.49Å; E765-R768 PolarHBondContact O-N 3.22Å; E765-R768 VanDerWaalsContact O-N 3.11Å; R768-T771 WeakPolarHBondContact CA-OG1 3.5Å; R768-T771 PolarHBondContact O-OG1 3.01Å; R768-R772 WeakPolarHBondContact O-CB 3.48Å; R768-R772 PolarHBondContact O-N 3.43Å; R768-E835 IonicContact CZ-OE1 3.97Å; R768-E835 IonicContact CZ-OE2 2.7Å; R768-E835 IonicContact NE-OE1 3.76Å; R768-E835 PolarHBondContact NE-OE1 3.03Å; R768-E835 IonicContact NE-OE2 2.72Å; R768-E835 IonicContact NH2-OE1 3.82Å; R768-E835 PolarHBondContact NH2-OE1 3.12Å; R768-E835 IonicContact NH2-OE2 3.83Å; R768-E835 PolarHBondContact NH2-OE2 2.81Å
769	E	87.7	Confident	87.1	Confident	89 Å²	89	69.8 Å²	69.8	42%	0.416	31%	0.311	S	S	.	.	H	α-helix	trans	-65	-44.6	178	-72.7	-171.8	166.7	0	0	112.3	E765 L766 R772 K773	E765-E769 WeakPolarHBondContact O-CG 3.29Å; E765-E769 PolarHBondContact O-N 2.81Å; L766-E769 PolarHBondContact O-N 2.81Å; E769-R772 PolarHBondContact O-N 2.93Å; E769-K773 WeakPolarHBondContact O-CG 2.9Å; E769-K773 PolarHBondContact O-N 3.35Å
770	E	84.8	Confident	86.6	Confident	21 Å²	21	69.5 Å²	69.5	10%	0.098	31%	0.313	C	S	.	.	H	α-helix	trans	-72.3	-36.1	-179	-72.2	-66.6	128.3	0	0	112.5	L766 Y767 K773 S774 N794 L797 P805	L766-E770 HydrophobicContact CD2-CG 4.38Å; L766-E770 WeakPolarHBondContact O-CB 3.23Å; L766-E770 WeakPolarHBondContact O-CG 3.05Å; L766-E770 PolarHBondContact O-N 2.85Å; Y767-E770 PolarHBondContact O-N 3.11Å; E770-K773 PolarHBondContact O-N 3.16Å; E770-K773 IonicContact OE1-NZ 3.67Å; E770-K773 PolarHBondContact OE1-NZ 2.89Å; E770-S774 WeakPolarHBondContact O-CB 3.37Å; E770-S774 PolarHBondContact O-N 2.77Å; E770-N794 PolarHBondContact OE1-ND2 2.75Å; E770-N794 PolarHBondContact OE1-OD1 3.38Å; E770-L797 HydrophobicContact CG-CD1 3.93Å; E770-P805 HydrophobicContact CB-CB 4.24Å; E770-P805 HydrophobicContact CB-CG 3.77Å; E770-P805 HydrophobicContact CG-CG 4.33Å
771	T	84.9	Confident	85.9	Confident	41 Å²	41	70.6 Å²	70.6	25%	0.252	32%	0.321	S	S	.	.	H	α-helix	trans	-63.9	-44.3	172.7	45.5	0	0	0	0	111.2	Y767 R768 K773 S774 E775	Y767-T771 HydrophobicContact CD1-CG2 4.44Å; Y767-T771 HydrophobicContact CD2-CG2 4.06Å; Y767-T771 HydrophobicContact CE1-CG2 3.97Å; Y767-T771 HydrophobicContact CE2-CG2 3.51Å; Y767-T771 HydrophobicContact CG-CG2 4.48Å; Y767-T771 VanDerWaalsContact CZ-CG2 3.46Å; Y767-T771 WeakPolarHBondContact O-CB 3.31Å; Y767-T771 WeakPolarHBondContact O-CG2 2.96Å; Y767-T771 PolarHBondContact O-N 3.4Å; Y767-T771 PolarHBondContact O-OG1 3.05Å; R768-T771 WeakPolarHBondContact CA-OG1 3.5Å; R768-T771 PolarHBondContact O-OG1 3.01Å; T771-K773 PolarHBondContact O-N 2.91Å; T771-S774 PolarHBondContact O-N 2.88Å; T771-E775 WeakPolarHBondContact O-CG 3.43Å; T771-E775 PolarHBondContact O-N 2.86Å
772	R	86.9	Confident	85.4	Confident	140 Å²	140	76.3 Å²	76.3	53%	0.528	35%	0.347	S	S	.	.	H	α-helix	trans	-59.2	-47.8	174.2	-173.8	-178.5	65.2	-165.6	-5.5	112.1	R768 E769 S774 E775 E776	R768-R772 WeakPolarHBondContact O-CB 3.48Å; R768-R772 PolarHBondContact O-N 3.43Å; E769-R772 PolarHBondContact O-N 2.93Å; R772-S774 VanDerWaalsContact C-N 3.28Å; R772-S774 PolarHBondContact O-N 3.44Å; R772-E775 PolarHBondContact O-N 3.16Å; R772-E776 WeakPolarHBondContact O-CB 3.29Å; R772-E776 WeakPolarHBondContact O-CG 3.01Å; R772-E776 PolarHBondContact O-N 2.92Å
773	K	85.3	Confident	84.8	Confident	55 Å²	55	77.2 Å²	77.2	24%	0.239	35%	0.349	C	S	.	.	H	α-helix	trans	-59.7	-39.7	175.8	-72.9	176	-164.5	167.2	0	111.7	E769 E770 T771 H777 N794	E769-K773 WeakPolarHBondContact O-CG 2.9Å; E769-K773 PolarHBondContact O-N 3.35Å; E770-K773 PolarHBondContact O-N 3.16Å; E770-K773 IonicContact OE1-NZ 3.67Å; E770-K773 PolarHBondContact OE1-NZ 2.89Å; T771-K773 PolarHBondContact O-N 2.91Å; K773-H777 VanDerWaalsContact O-CB 3.25Å; K773-H777 WeakPolarHBondContact O-CB 3.28Å; K773-H777 PolarHBondContact O-N 2.99Å; K773-N794 PolarHBondContact NZ-OD1 3.07Å
774	S	81.1	Confident	84.1	Confident	50 Å²	50	79.8 Å²	79.8	35%	0.35	37%	0.37	S	S	.	.	H	α-helix	trans	-68.3	-37.2	177.8	-176.2	0	0	0	0	112.4	E770 T771 R772 K778	E770-S774 WeakPolarHBondContact O-CB 3.37Å; E770-S774 PolarHBondContact O-N 2.77Å; T771-S774 PolarHBondContact O-N 2.88Å; R772-S774 VanDerWaalsContact C-N 3.28Å; R772-S774 PolarHBondContact O-N 3.44Å; S774-K778 WeakPolarHBondContact O-CG 3.28Å; S774-K778 PolarHBondContact O-N 2.79Å
775	E	84.3	Confident	83.1	Confident	133 Å²	133	83 Å²	83	62%	0.621	40%	0.404	S	S	*	.	H	α-helix	trans	-69.2	-45.3	176.3	-74.7	174.5	178.3	0	0	111.5	T771 R772 H777 K778 Y779	T771-E775 WeakPolarHBondContact O-CG 3.43Å; T771-E775 PolarHBondContact O-N 2.86Å; R772-E775 PolarHBondContact O-N 3.16Å; E775-H777 VanDerWaalsContact C-N 3.32Å; E775-H777 PolarHBondContact O-N 3Å; E775-K778 PolarHBondContact O-N 3.22Å; E775-Y779 WeakPolarHBondContact O-CB 3.35Å; E775-Y779 PolarHBondContact O-N 2.91Å
776	E	84.9	Confident	82.3	Confident	95 Å²	95	87 Å²	87	44%	0.444	42%	0.419	S	S	.	.	H	α-helix	trans	-57.7	-46.8	172.9	-73.4	172.7	-175.6	0	0	110.7	R772 K778 Y779 F780	R772-E776 WeakPolarHBondContact O-CB 3.29Å; R772-E776 WeakPolarHBondContact O-CG 3.01Å; R772-E776 PolarHBondContact O-N 2.92Å; E776-K778 PolarHBondContact O-N 2.98Å; E776-Y779 WeakPolarHBondContact O-CB 2.9Å; E776-Y779 PolarHBondContact O-N 3.35Å; E776-F780 HydrophobicContact CB-CD2 4.44Å; E776-F780 HydrophobicContact CB-CE2 4.3Å; E776-F780 WeakPolarHBondContact O-CD2 3.42Å; E776-F780 PolarHBondContact O-N 3.47Å
777	H	81.4	Confident	81.3	Confident	49 Å²	49	95.2 Å²	95.2	23%	0.227	46%	0.457	C	S	.	.	H	α-helix	trans	-59.9	-45.8	177.1	-178.7	71.5	0	0	0	112.2	K773 E775 Y779 F780 C781 L788 P789 P791	K773-H777 VanDerWaalsContact O-CB 3.25Å; K773-H777 WeakPolarHBondContact O-CB 3.28Å; K773-H777 PolarHBondContact O-N 2.99Å; E775-H777 VanDerWaalsContact C-N 3.32Å; E775-H777 PolarHBondContact O-N 3Å; H777-Y779 VanDerWaalsContact C-N 3.35Å; H777-Y779 PolarHBondContact O-N 2.95Å; H777-F780 PolarHBondContact O-N 2.68Å; H777-C781 VanDerWaalsContact CE1-SG 3.55Å; H777-C781 PolarHBondContact NE2-SG 3.1Å; H777-C781 WeakPolarHBondContact O-CB 3.32Å; H777-C781 PolarHBondContact O-N 3.42Å; H777-C781 PolarHBondContact O-SG 2.95Å; H777-L788 PolarHBondContact CE1-O 3.35Å; H777-L788 VanDerWaalsContact CE1-O 3.27Å; H777-P789 PolarHBondContact CE1-O 2.86Å; H777-P791 HydrophobicContact CB-CG 4.44Å
778	K	81.6	Confident	80.5	Confident	129 Å²	129	96 Å²	96	56%	0.561	47%	0.465	S	S	*	.	H	α-helix	trans	-59.3	-45.9	175.3	-77.9	175.2	-179.2	178.7	0	111.6	S774 E775 E776 F780 C781 E782	S774-K778 WeakPolarHBondContact O-CG 3.28Å; S774-K778 PolarHBondContact O-N 2.79Å; E775-K778 PolarHBondContact O-N 3.22Å; E776-K778 PolarHBondContact O-N 2.98Å; K778-F780 VanDerWaalsContact C-N 3.34Å; K778-F780 PolarHBondContact O-N 3.01Å; K778-C781 PolarHBondContact O-N 3.46Å; K778-E782 WeakPolarHBondContact O-CB 3.43Å; K778-E782 WeakPolarHBondContact O-CG 3.34Å; K778-E782 PolarHBondContact O-N 3.32Å
779	Y	82.7	Confident	79.7	Confident	121 Å²	121	96.4 Å²	96.4	48%	0.475	48%	0.48	S	S	.	.	H	α-helix	trans	-60.3	-42.4	177.8	-179.6	-101.7	0	0	0	112.5	E775 E776 H777 K783	E775-Y779 WeakPolarHBondContact O-CB 3.35Å; E775-Y779 PolarHBondContact O-N 2.91Å; E776-Y779 WeakPolarHBondContact O-CB 2.9Å; E776-Y779 PolarHBondContact O-N 3.35Å; H777-Y779 VanDerWaalsContact C-N 3.35Å; H777-Y779 PolarHBondContact O-N 2.95Å; Y779-K783 HydrophobicContact CD1-CD 4.3Å; Y779-K783 HydrophobicContact CE1-CD 3.65Å; Y779-K783 HydrophobicContact CE2-CD 4.47Å; Y779-K783 WeakPolarHBondContact O-CB 3.37Å; Y779-K783 PolarHBondContact O-N 3.26Å; Y779-K783 WeakPolarHBondContact OH-CE 3.36Å; Y779-K783 PolarHBondContact OH-NZ 2.96Å
780	F	81.2	Confident	78.9	Confident	114 Å²	114	97.2 Å²	97.2	50%	0.5	49%	0.493	S	S	.	.	H	α-helix	trans	-69.4	-37.6	176.5	-73.2	-62.2	0	0	0	112.6	E776 H777 K778 K783 A784 L788	E776-F780 HydrophobicContact CB-CD2 4.44Å; E776-F780 HydrophobicContact CB-CE2 4.3Å; E776-F780 WeakPolarHBondContact O-CD2 3.42Å; E776-F780 PolarHBondContact O-N 3.47Å; H777-F780 PolarHBondContact O-N 2.68Å; K778-F780 VanDerWaalsContact C-N 3.34Å; K778-F780 PolarHBondContact O-N 3.01Å; F780-K783 PolarHBondContact O-N 3.28Å; F780-A784 WeakPolarHBondContact O-CB 3.48Å; F780-A784 PolarHBondContact O-N 3.31Å; F780-L788 HydrophobicContact CB-CD1 3.59Å
781	C	76.4	Confident	78.5	Confident	23 Å²	23	98.7 Å²	98.7	16%	0.155	51%	0.505	C	S	.	.	H	α-helix	trans	-64.4	-43.7	174.1	-74.2	0	0	0	0	112	H777 K778 A784 G785 L788	H777-C781 VanDerWaalsContact CE1-SG 3.55Å; H777-C781 PolarHBondContact NE2-SG 3.1Å; H777-C781 WeakPolarHBondContact O-CB 3.32Å; H777-C781 PolarHBondContact O-N 3.42Å; H777-C781 PolarHBondContact O-SG 2.95Å; K778-C781 PolarHBondContact O-N 3.46Å; C781-A784 PolarHBondContact O-N 3.22Å; C781-G785 PolarHBondContact O-N 3.41Å; C781-L788 PolarHBondContact SG-N 2.93Å; C781-L788 VanDerWaalsContact SG-N 3.36Å
782	E	79.3	Confident	78.1	Confident	157 Å²	157	105.7 Å²	105.7	73%	0.734	53%	0.532	S	S	*	.	H	α-helix	trans	-63	-42.7	176.6	-76.8	179.2	-179.9	0	0	111.8	K778	K778-E782 WeakPolarHBondContact O-CB 3.43Å; K778-E782 WeakPolarHBondContact O-CG 3.34Å; K778-E782 PolarHBondContact O-N 3.32Å
783	K	79	Confident	77.4	Confident	147 Å²	147	102.3 Å²	102.3	64%	0.639	53%	0.528	S	S	*	.	H	α-helix	trans	-68.5	-33.8	176	-86.5	-171.4	161.5	-179	0	113.9	Y779 F780	Y779-K783 HydrophobicContact CD1-CD 4.3Å; Y779-K783 HydrophobicContact CE1-CD 3.65Å; Y779-K783 HydrophobicContact CE2-CD 4.47Å; Y779-K783 WeakPolarHBondContact O-CB 3.37Å; Y779-K783 PolarHBondContact O-N 3.26Å; Y779-K783 WeakPolarHBondContact OH-CE 3.36Å; Y779-K783 PolarHBondContact OH-NZ 2.96Å; F780-K783 PolarHBondContact O-N 3.28Å
784	A	75	Confident	77.2	Confident	54 Å²	54	101 Å²	101	45%	0.446	52%	0.523	S	S	.	.	H	α-helix	trans	-85	-14.2	-177.8	0	0	0	0	0	113.2	F780 C781 K786 L788	F780-A784 WeakPolarHBondContact O-CB 3.48Å; F780-A784 PolarHBondContact O-N 3.31Å; C781-A784 PolarHBondContact O-N 3.22Å; A784-K786 PolarHBondContact O-N 2.96Å; A784-K786 VanDerWaalsContact O-N 3.09Å; A784-L788 HydrophobicContact CB-CD1 4.44Å
785	G	70.3	Confident	77.3	Confident	69 Å²	69	103.5 Å²	103.5	71%	0.711	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	17.4	-175.9	0	0	0	0	0	114	C781	C781-G785 PolarHBondContact O-N 3.41Å
786	K	73.1	Confident	77.1	Confident	167 Å²	167	101.1 Å²	101.1	73%	0.726	53%	0.529	S	S	*	.	S	Bend	trans	-145.2	145	-179.3	-70.2	-176.1	-179.6	178.4	0	109.2	A784 L788	A784-K786 PolarHBondContact O-N 2.96Å; A784-K786 VanDerWaalsContact O-N 3.09Å; K786-L788 PolarHBondContact O-N 3.32Å
787	E	68.5	Low	77	Confident	189 Å²	189	97 Å²	97	88%	0.883	51%	0.51	S	S	*	.			trans	-66.8	114.3	173.3	-69.4	-176	168.8	0	0	110
788	L	72.8	Confident	77	Confident	73 Å²	73	98 Å²	98	38%	0.382	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-78.3	161.6	171.9	-68.1	168.5	0	0	0	109.9	H777 F780 C781 A784 K786	H777-L788 PolarHBondContact CE1-O 3.35Å; H777-L788 VanDerWaalsContact CE1-O 3.27Å; F780-L788 HydrophobicContact CB-CD1 3.59Å; C781-L788 PolarHBondContact SG-N 2.93Å; C781-L788 VanDerWaalsContact SG-N 3.36Å; A784-L788 HydrophobicContact CB-CD1 4.44Å; K786-L788 PolarHBondContact O-N 3.32Å
789	P	73.1	Confident	76.9	Confident	108 Å²	108	96 Å²	96	70%	0.701	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-57.4	137.3	174.4	-22.1	32.6	0	0	0	111.1	H777	H777-P789 PolarHBondContact CE1-O 2.86Å
790	P	70.8	Confident	76.7	Confident	106 Å²	106	95 Å²	95	69%	0.688	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-61.2	147.8	-179.3	25.4	-33.9	0	0	0	110.7
791	P	76.2	Confident	76.5	Confident	52 Å²	52	92.5 Å²	92.5	34%	0.338	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-58.7	145.2	175.9	25.7	-32.9	0	0	0	109.7	H777 P793	H777-P791 HydrophobicContact CB-CG 4.44Å; P791-P793 VanDerWaalsContact O-CD 3.3Å; P791-P793 WeakPolarHBondContact O-CD 3.29Å; P791-P793 VanDerWaalsContact O-N 3.13Å
792	K	75.7	Confident	76.4	Confident	189 Å²	189	96.9 Å²	96.9	82%	0.822	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-61	119	175.3	-70.6	-177.3	-179.6	178.6	0	108.2
793	P	72.1	Confident	76.4	Confident	69 Å²	69	91 Å²	91	45%	0.448	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-65.6	147.1	-179.7	26.1	-33.4	0	0	0	110	P791 V798	P791-P793 VanDerWaalsContact O-CD 3.3Å; P791-P793 WeakPolarHBondContact O-CD 3.29Å; P791-P793 VanDerWaalsContact O-N 3.13Å; P793-V798 HydrophobicContact CB-CG2 3.85Å; P793-V798 HydrophobicContact CG-CG2 3.53Å
794	N	81.9	Confident	76.5	Confident	26 Å²	26	87.4 Å²	87.4	14%	0.139	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-56.3	134.8	174.2	-86.2	-17.3	0	0	0	110.7	E770 K773 I796 L797 V798	E770-N794 PolarHBondContact OE1-ND2 2.75Å; E770-N794 PolarHBondContact OE1-OD1 3.38Å; K773-N794 PolarHBondContact NZ-OD1 3.07Å; N794-I796 PolarHBondContact O-N 3.41Å; N794-I796 VanDerWaalsContact O-N 3.1Å; N794-L797 HydrophobicContact CB-CD1 4.43Å; N794-L797 HydrophobicContact CB-CG 4.45Å; N794-L797 PolarHBondContact O-N 3.45Å; N794-V798 PolarHBondContact O-N 3.02Å
795	P	82.2	Confident	77	Confident	104 Å²	104	86.4 Å²	86.4	68%	0.675	51%	0.508	S	S	*	.	H	α-helix	trans	-55.3	-32.1	-177.3	-28.1	34.8	0	0	0	114.2	V798 A799	P795-V798 PolarHBondContact O-N 2.97Å; P795-A799 WeakPolarHBondContact O-CB 3.45Å; P795-A799 PolarHBondContact O-N 3.15Å
796	I	81.4	Confident	77.7	Confident	82 Å²	82	84.2 Å²	84.2	42%	0.421	48%	0.482	S	S	.	.	H	α-helix	trans	-62.1	-47.2	176.8	-64.3	173	0	0	0	110.6	L766 N794 V798 A799 F800 Y808	L766-I796 HydrophobicContact CD1-CB 4.1Å; L766-I796 HydrophobicContact CD1-CD1 4.01Å; L766-I796 HydrophobicContact CD1-CG2 4.23Å; N794-I796 PolarHBondContact O-N 3.41Å; N794-I796 VanDerWaalsContact O-N 3.1Å; I796-V798 VanDerWaalsContact C-N 3.31Å; I796-V798 PolarHBondContact O-N 2.94Å; I796-A799 PolarHBondContact O-N 2.75Å; I796-F800 HydrophobicContact CG2-CD2 3.96Å; I796-F800 HydrophobicContact CG2-CE2 3.94Å; I796-F800 VanDerWaalsContact O-CD2 3.22Å; I796-F800 WeakPolarHBondContact O-CD2 2.96Å; I796-F800 PolarHBondContact O-N 3.02Å; I796-F800 VanDerWaalsContact O-N 3.12Å; I796-Y808 HydrophobicContact CG2-CE2 4.17Å
797	L	81.9	Confident	78.4	Confident	8 Å²	8	82.4 Å²	82.4	4%	0.042	47%	0.47	C	S	.	.	H	α-helix	trans	-66.1	-35.4	179.6	-65.4	177.6	0	0	0	112.1	L766 E770 N794 F800 G801 N802 P805 Y808	L766-L797 HydrophobicContact CD2-CD1 3.94Å; L766-L797 HydrophobicContact CD2-CD2 3.84Å; L766-L797 HydrophobicContact CD2-CG 3.91Å; E770-L797 HydrophobicContact CG-CD1 3.93Å; N794-L797 HydrophobicContact CB-CD1 4.43Å; N794-L797 HydrophobicContact CB-CG 4.45Å; N794-L797 PolarHBondContact O-N 3.45Å; L797-F800 PolarHBondContact O-N 2.83Å; L797-G801 PolarHBondContact O-N 2.93Å; L797-N802 WeakPolarHBondContact O-CA 3.4Å; L797-N802 PolarHBondContact O-N 3.33Å; L797-P805 HydrophobicContact CD1-CG 3.93Å; L797-Y808 HydrophobicContact CD2-CD1 4.32Å; L797-Y808 HydrophobicContact CD2-CD2 4.36Å; L797-Y808 HydrophobicContact CD2-CG 3.91Å
798	V	81.4	Confident	79.3	Confident	70 Å²	70	75 Å²	75	42%	0.424	44%	0.435	S	S	.	.	H	α-helix	trans	-65.6	-43.7	174.8	-179.7	0	0	0	0	110.7	P793 N794 P795 I796 F800 G801	P793-V798 HydrophobicContact CB-CG2 3.85Å; P793-V798 HydrophobicContact CG-CG2 3.53Å; N794-V798 PolarHBondContact O-N 3.02Å; P795-V798 PolarHBondContact O-N 2.97Å; I796-V798 VanDerWaalsContact C-N 3.31Å; I796-V798 PolarHBondContact O-N 2.94Å; V798-F800 VanDerWaalsContact C-N 3.26Å; V798-F800 PolarHBondContact O-N 3.01Å; V798-G801 PolarHBondContact O-N 3.42Å
799	A	80.5	Confident	80.1	Confident	89 Å²	89	71.6 Å²	71.6	74%	0.736	42%	0.417	S	S	*	.	H	α-helix	trans	-61.8	-33.6	178.3	0	0	0	0	0	112.7	P795 I796 G801	P795-A799 WeakPolarHBondContact O-CB 3.45Å; P795-A799 PolarHBondContact O-N 3.15Å; I796-A799 PolarHBondContact O-N 2.75Å; A799-G801 VanDerWaalsContact C-N 3.25Å; A799-G801 PolarHBondContact O-N 2.89Å
800	F	77.4	Confident	80.9	Confident	100 Å²	100	66.9 Å²	66.9	44%	0.439	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	4	174.4	-76.5	-71.3	0	0	0	114.3	I796 L797 V798 V803 Y808	I796-F800 HydrophobicContact CG2-CD2 3.96Å; I796-F800 HydrophobicContact CG2-CE2 3.94Å; I796-F800 VanDerWaalsContact O-CD2 3.22Å; I796-F800 WeakPolarHBondContact O-CD2 2.96Å; I796-F800 PolarHBondContact O-N 3.02Å; I796-F800 VanDerWaalsContact O-N 3.12Å; L797-F800 PolarHBondContact O-N 2.83Å; V798-F800 VanDerWaalsContact C-N 3.26Å; V798-F800 PolarHBondContact O-N 3.01Å; F800-V803 HydrophobicContact CB-CG2 4.28Å; F800-V803 VanDerWaalsContact O-CG2 3.3Å; F800-V803 WeakPolarHBondContact O-CG2 3.49Å; F800-Y808 HydrophobicContact CD2-CD2 4.13Å; F800-Y808 AromaticContact CD2-CE2 3.59Å; F800-Y808 HydrophobicContact CD2-CE2 3.59Å; F800-Y808 AromaticContact CE2-CE2 3.6Å; F800-Y808 HydrophobicContact CE2-CE2 3.6Å; F800-Y808 HydrophobicContact CG-CE2 4.34Å; F800-Y808 HydrophobicContact CZ-CE2 4.34Å
801	G	77.8	Confident	81.7	Confident	60 Å²	60	64.7 Å²	64.7	62%	0.619	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.8	35.1	175.6	0	0	0	0	0	114.8	L797 V798 A799 V803	L797-G801 PolarHBondContact O-N 2.93Å; V798-G801 PolarHBondContact O-N 3.42Å; A799-G801 VanDerWaalsContact C-N 3.25Å; A799-G801 PolarHBondContact O-N 2.89Å; G801-V803 PolarHBondContact O-N 2.81Å
802	N	73.3	Confident	82.4	Confident	115 Å²	115	62.9 Å²	62.9	62%	0.615	36%	0.356	S	S	*	.	S	Bend	trans	58.4	42.2	-178.1	-68.2	-19.8	0	0	0	113.3	L797	L797-N802 WeakPolarHBondContact O-CA 3.4Å; L797-N802 PolarHBondContact O-N 3.33Å
803	V	79.5	Confident	83	Confident	35 Å²	35	54 Å²	54	21%	0.212	32%	0.318	C	S	.	.			trans	-67.4	143.3	174.8	-178.4	0	0	0	0	109.7	F800 G801 R807	F800-V803 HydrophobicContact CB-CG2 4.28Å; F800-V803 VanDerWaalsContact O-CG2 3.3Å; F800-V803 WeakPolarHBondContact O-CG2 3.49Å; G801-V803 PolarHBondContact O-N 2.81Å; V803-R807 HydrophobicContact CG1-CB 3.44Å; V803-R807 VanDerWaalsContact CG1-CB 3.44Å
804	T	82.6	Confident	83.9	Confident	70 Å²	70	58.2 Å²	58.2	43%	0.429	33%	0.325	S	S	.	.			trans	-63	143.3	175.3	56.9	0	0	0	0	110.2	S806 R807 Y808	T804-S806 PolarHBondContact O-N 2.82Å; T804-S806 VanDerWaalsContact O-N 3.08Å; T804-S806 PolarHBondContact OG1-OG 3.11Å; T804-R807 PolarHBondContact O-N 3.3Å; T804-R807 WeakPolarHBondContact OG1-CB 3.46Å; T804-R807 WeakPolarHBondContact OG1-CG 3.43Å; T804-R807 PolarHBondContact OG1-N 3.05Å; T804-Y808 PolarHBondContact O-N 3.15Å
805	P	84.7	Confident	84.2	Confident	33 Å²	33	63.1 Å²	63.1	21%	0.214	35%	0.345	C	S	.	.	H	α-helix	trans	-53.6	-35.9	-178.2	-28	34.1	0	0	0	113.6	Y767 E770 L797 Y808 V809	Y767-P805 HydrophobicContact CD2-CB 3.84Å; E770-P805 HydrophobicContact CB-CB 4.24Å; E770-P805 HydrophobicContact CB-CG 3.77Å; E770-P805 HydrophobicContact CG-CG 4.33Å; L797-P805 HydrophobicContact CD1-CG 3.93Å; P805-Y808 PolarHBondContact O-N 3.13Å; P805-V809 PolarHBondContact O-N 2.76Å
806	S	85.8	Confident	84.4	Confident	23 Å²	23	58.8 Å²	58.8	16%	0.161	32%	0.316	C	S	.	.	H	α-helix	trans	-66.4	-44.4	175.4	59.9	0	0	0	0	112.5	T804 Y808 V809 L810 Y843	T804-S806 PolarHBondContact O-N 2.82Å; T804-S806 VanDerWaalsContact O-N 3.08Å; T804-S806 PolarHBondContact OG1-OG 3.11Å; S806-Y808 VanDerWaalsContact C-N 3.28Å; S806-Y808 PolarHBondContact O-N 2.87Å; S806-V809 PolarHBondContact O-N 2.88Å; S806-L810 PolarHBondContact O-N 2.87Å; S806-Y843 PolarHBondContact O-OH 2.65Å
807	R	86.3	Confident	84.4	Confident	129 Å²	129	59.9 Å²	59.9	49%	0.487	32%	0.315	S	S	.	.	H	α-helix	trans	-65.3	-33.5	176.1	-78.1	-175.5	178.6	-178.2	0.8	112.2	V803 T804 V809 L810 D811	V803-R807 HydrophobicContact CG1-CB 3.44Å; V803-R807 VanDerWaalsContact CG1-CB 3.44Å; T804-R807 PolarHBondContact O-N 3.3Å; T804-R807 WeakPolarHBondContact OG1-CB 3.46Å; T804-R807 WeakPolarHBondContact OG1-CG 3.43Å; T804-R807 PolarHBondContact OG1-N 3.05Å; R807-V809 PolarHBondContact O-N 3.48Å; R807-L810 WeakPolarHBondContact O-CB 3.44Å; R807-L810 PolarHBondContact O-N 2.73Å; R807-D811 PolarHBondContact O-N 2.75Å
808	Y	88.6	Confident	84.4	Confident	34 Å²	34	61.4 Å²	61.4	13%	0.133	33%	0.327	C	S	.	.	H	α-helix	trans	-60.3	-43.9	175.2	-179.9	-107.9	0	0	0	112.1	A763 L766 I796 L797 F800 T804 P805 S806 L810 D811 V812	A763-Y808 HydrophobicContact CB-CD1 4.19Å; A763-Y808 HydrophobicContact CB-CE1 3.9Å; L766-Y808 HydrophobicContact CD2-CD1 4.19Å; I796-Y808 HydrophobicContact CG2-CE2 4.17Å; L797-Y808 HydrophobicContact CD2-CD1 4.32Å; L797-Y808 HydrophobicContact CD2-CD2 4.36Å; L797-Y808 HydrophobicContact CD2-CG 3.91Å; F800-Y808 HydrophobicContact CD2-CD2 4.13Å; F800-Y808 AromaticContact CD2-CE2 3.59Å; F800-Y808 HydrophobicContact CD2-CE2 3.59Å; F800-Y808 AromaticContact CE2-CE2 3.6Å; F800-Y808 HydrophobicContact CE2-CE2 3.6Å; F800-Y808 HydrophobicContact CG-CE2 4.34Å; F800-Y808 HydrophobicContact CZ-CE2 4.34Å; T804-Y808 PolarHBondContact O-N 3.15Å; P805-Y808 PolarHBondContact O-N 3.13Å; S806-Y808 VanDerWaalsContact C-N 3.28Å; S806-Y808 PolarHBondContact O-N 2.87Å; Y808-L810 VanDerWaalsContact C-N 3.32Å; Y808-L810 PolarHBondContact O-N 2.62Å; Y808-D811 PolarHBondContact O-N 2.72Å; Y808-V812 HydrophobicContact CD1-CG2 4.49Å; Y808-V812 HydrophobicContact CE1-CG2 4.08Å; Y808-V812 HydrophobicContact CE2-CG2 4.23Å; Y808-V812 WeakPolarHBondContact O-CG2 3.44Å; Y808-V812 PolarHBondContact O-N 2.95Å
809	V	89.6	Confident	84.3	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.006	31%	0.314	C	S	.	.	H	α-helix	trans	-61.2	-42.1	174.9	176.6	0	0	0	0	111	A763 L764 Y767 P805 S806 R807 V812 I813 L839	A763-V809 HydrophobicContact CB-CG2 4.17Å; L764-V809 HydrophobicContact CD2-CG1 3.99Å; L764-V809 HydrophobicContact CD2-CG2 4.37Å; Y767-V809 HydrophobicContact CG-CG2 4.5Å; P805-V809 PolarHBondContact O-N 2.76Å; S806-V809 PolarHBondContact O-N 2.88Å; R807-V809 PolarHBondContact O-N 3.48Å; V809-V812 PolarHBondContact O-N 3.2Å; V809-I813 HydrophobicContact CG1-CD1 4.04Å; V809-I813 WeakPolarHBondContact O-CG1 3.42Å; V809-I813 PolarHBondContact O-N 3.21Å; V809-L839 HydrophobicContact CB-CD1 4.45Å; V809-L839 HydrophobicContact CG1-CD1 4.11Å; V809-L839 HydrophobicContact CG2-CD1 4.42Å
810	L	89.1	Confident	84.3	Confident	9 Å²	9	55.6 Å²	55.6	5%	0.047	28%	0.282	C	S	.	.	H	α-helix	trans	-62.4	-43.8	176	-175.1	67.5	0	0	0	112	S806 R807 Y808 V812 I813 R814 Y843 L848 V853	S806-L810 PolarHBondContact O-N 2.87Å; R807-L810 WeakPolarHBondContact O-CB 3.44Å; R807-L810 PolarHBondContact O-N 2.73Å; Y808-L810 VanDerWaalsContact C-N 3.32Å; Y808-L810 PolarHBondContact O-N 2.62Å; L810-V812 VanDerWaalsContact C-N 3.28Å; L810-V812 PolarHBondContact O-N 2.7Å; L810-I813 PolarHBondContact O-N 2.97Å; L810-R814 WeakPolarHBondContact O-CB 3.3Å; L810-R814 PolarHBondContact O-N 3.34Å; L810-Y843 HydrophobicContact CB-CE1 4.46Å; L810-Y843 HydrophobicContact CB-CE2 4.27Å; L810-Y843 HydrophobicContact CD1-CD2 4.07Å; L810-Y843 HydrophobicContact CD1-CE2 4.26Å; L810-L848 HydrophobicContact CD2-CB 3.78Å; L810-L848 HydrophobicContact CD2-CD1 4.06Å; L810-L848 HydrophobicContact CD2-CG 4.49Å; L810-V853 HydrophobicContact CD1-CG2 4.12Å
811	D	88.5	Confident	84.7	Confident	61 Å²	61	50.9 Å²	50.9	33%	0.326	26%	0.262	S	S	.	.	H	α-helix	trans	-63.2	-34.7	177.5	-74.5	-24	0	0	0	112.2	R807 Y808 K815	R807-D811 PolarHBondContact O-N 2.75Å; Y808-D811 PolarHBondContact O-N 2.72Å; D811-K815 VanDerWaalsContact O-CG 3.27Å; D811-K815 WeakPolarHBondContact O-CG 3.35Å; D811-K815 PolarHBondContact O-N 3.49Å; D811-K815 VanDerWaalsContact O-N 3.1Å
812	V	89.5	Confident	85	Confident	14 Å²	14	50.1 Å²	50.1	9%	0.085	24%	0.242	C	C	.	.	H	α-helix	trans	-67.1	-45.9	173.9	172.3	0	0	0	0	110.7	R759 I760 A763 Y808 V809 L810 R814 K815 V816	R759-V812 HydrophobicContact CB-CG1 4.24Å; I760-V812 HydrophobicContact CG1-CG1 4.13Å; A763-V812 HydrophobicContact CB-CB 4.24Å; A763-V812 HydrophobicContact CB-CG1 4.28Å; A763-V812 HydrophobicContact CB-CG2 4Å; Y808-V812 HydrophobicContact CD1-CG2 4.49Å; Y808-V812 HydrophobicContact CE1-CG2 4.08Å; Y808-V812 HydrophobicContact CE2-CG2 4.23Å; Y808-V812 WeakPolarHBondContact O-CG2 3.44Å; Y808-V812 PolarHBondContact O-N 2.95Å; V809-V812 PolarHBondContact O-N 3.2Å; L810-V812 VanDerWaalsContact C-N 3.28Å; L810-V812 PolarHBondContact O-N 2.7Å; V812-R814 VanDerWaalsContact C-N 3.3Å; V812-R814 PolarHBondContact O-N 3.5Å; V812-K815 PolarHBondContact O-N 3.24Å; V812-V816 PolarHBondContact O-N 2.85Å
813	I	89.9	Confident	85.3	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.015	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-40.7	176.5	-65.9	168.5	0	0	0	110.7	I760 V809 L810 K815 V816 L821 L836 F840 L852	I760-I813 HydrophobicContact CG1-CG1 4.46Å; V809-I813 HydrophobicContact CG1-CD1 4.04Å; V809-I813 WeakPolarHBondContact O-CG1 3.42Å; V809-I813 PolarHBondContact O-N 3.21Å; L810-I813 PolarHBondContact O-N 2.97Å; I813-K815 VanDerWaalsContact C-N 3.3Å; I813-K815 PolarHBondContact O-N 2.87Å; I813-V816 WeakPolarHBondContact O-CB 3.41Å; I813-V816 PolarHBondContact O-N 3.5Å; I813-L821 HydrophobicContact CG2-CD1 4.03Å; I813-L836 HydrophobicContact CD1-CD1 3.92Å; I813-F840 HydrophobicContact CD1-CE1 4.11Å; I813-L852 HydrophobicContact CG2-CD2 4.19Å
814	R	89.1	Confident	85.7	Confident	157 Å²	157	43.8 Å²	43.8	59%	0.592	21%	0.206	S	C	*	.	H	α-helix	trans	-63.4	-33.3	176.7	-177.1	-175.2	175.6	162.2	-8.3	113.3	L810 V812 V816 E849	L810-R814 WeakPolarHBondContact O-CB 3.3Å; L810-R814 PolarHBondContact O-N 3.34Å; V812-R814 VanDerWaalsContact C-N 3.3Å; V812-R814 PolarHBondContact O-N 3.5Å; R814-V816 VanDerWaalsContact C-N 3.26Å; R814-V816 PolarHBondContact O-N 3.37Å; R814-E849 VanDerWaalsContact CD-OE1 3.26Å; R814-E849 WeakPolarHBondContact CD-OE1 2.85Å; R814-E849 IonicContact CZ-OE1 3.41Å; R814-E849 IonicContact NE-OE1 3.41Å; R814-E849 PolarHBondContact NE-OE1 2.69Å; R814-E849 IonicContact NH1-OE1 3.86Å; R814-E849 PolarHBondContact NH1-OE1 3.01Å
815	K	88.6	Confident	85.8	Confident	129 Å²	129	40.5 Å²	40.5	56%	0.561	19%	0.186	S	C	*	.	H	α-helix	trans	-74.1	-17.1	177.9	-77.2	171.7	-176.5	174.9	0	113	D811 V812 I813	D811-K815 VanDerWaalsContact O-CG 3.27Å; D811-K815 WeakPolarHBondContact O-CG 3.35Å; D811-K815 PolarHBondContact O-N 3.49Å; D811-K815 VanDerWaalsContact O-N 3.1Å; V812-K815 PolarHBondContact O-N 3.24Å; I813-K815 VanDerWaalsContact C-N 3.3Å; I813-K815 PolarHBondContact O-N 2.87Å
816	V	86.8	Confident	85.8	Confident	13 Å²	13	40.8 Å²	40.8	8%	0.079	19%	0.186	C	C	.	.	S	Bend	trans	-73.6	134.4	174.3	-177.5	0	0	0	0	108.8	A756 I760 V812 I813 R814 E820 L821	A756-V816 HydrophobicContact CB-CG1 4.03Å; A756-V816 HydrophobicContact CB-CG2 4.01Å; I760-V816 HydrophobicContact CD1-CG2 4.24Å; V812-V816 PolarHBondContact O-N 2.85Å; I813-V816 WeakPolarHBondContact O-CB 3.41Å; I813-V816 PolarHBondContact O-N 3.5Å; R814-V816 VanDerWaalsContact C-N 3.26Å; R814-V816 PolarHBondContact O-N 3.37Å; V816-E820 HydrophobicContact CG1-CB 4.38Å; V816-L821 HydrophobicContact CB-CD1 4.21Å; V816-L821 HydrophobicContact CG1-CB 4.38Å; V816-L821 HydrophobicContact CG1-CD1 4.19Å
817	R	82.6	Confident	85.8	Confident	104 Å²	104	41.6 Å²	41.6	39%	0.392	19%	0.19	S	C	.	.			trans	-62.5	139.3	176.7	-76.6	178.8	-76.6	-171.9	-7.9	110.4	E752 S819 E820 L821	E752-R817 IonicContact OE1-NH2 2.59Å; E752-R817 PolarHBondContact OE1-NH2 3.11Å; E752-R817 IonicContact OE2-CZ 2.73Å; E752-R817 IonicContact OE2-NH1 2.63Å; E752-R817 IonicContact OE2-NH2 2.78Å; E752-R817 PolarHBondContact OE2-NH2 3.14Å; R817-S819 PolarHBondContact O-N 3.24Å; R817-E820 HydrophobicContact CB-CB 4.37Å; R817-E820 HydrophobicContact CB-CG 4.45Å; R817-E820 IonicContact CZ-OE1 2.77Å; R817-E820 IonicContact CZ-OE2 3.26Å; R817-E820 VanDerWaalsContact NE-CD 3.34Å; R817-E820 IonicContact NE-OE1 3.92Å; R817-E820 PolarHBondContact NE-OE1 3.31Å; R817-E820 VanDerWaalsContact NE-OE1 3.16Å; R817-E820 IonicContact NE-OE2 3.28Å; R817-E820 PolarHBondContact NE-OE2 2.89Å; R817-E820 IonicContact NH1-OE1 2.76Å; R817-E820 IonicContact NH2-OE1 3.11Å; R817-E820 PolarHBondContact NH2-OE1 3.11Å; R817-E820 IonicContact NH2-OE2 2.65Å; R817-E820 PolarHBondContact NH2-OE2 3.42Å; R817-E820 VanDerWaalsContact NH2-OE2 3.08Å; R817-E820 PolarHBondContact O-N 3.43Å; R817-L821 PolarHBondContact O-N 3.12Å
818	S	81.6	Confident	85.7	Confident	41 Å²	41	35.7 Å²	35.7	29%	0.287	17%	0.168	S	C	.	.	H	α-helix	trans	-57.4	-34.1	-178.6	3.4	0	0	0	0	113.4	E140 E820 R855	E140-S818 WeakPolarHBondContact OE2-CB 3.35Å; E140-S818 PolarHBondContact OE2-OG 2.86Å; S818-E820 VanDerWaalsContact C-N 3.3Å; S818-E820 PolarHBondContact O-N 3.46Å; S818-R855 PolarHBondContact O-NH2 2.94Å
819	S	78.6	Confident	85.7	Confident	23 Å²	23	36.9 Å²	36.9	16%	0.161	18%	0.18	C	C	.	.	H	α-helix	trans	-72.5	-21.1	176.9	59.6	0	0	0	0	114.2	S103 E140 R817	S103-S819 VanDerWaalsContact O-CB 3.26Å; S103-S819 WeakPolarHBondContact O-CB 3.34Å; S103-S819 PolarHBondContact O-OG 3.42Å; E140-S819 WeakPolarHBondContact O-CA 3.42Å; E140-S819 WeakPolarHBondContact O-CB 3.33Å; R817-S819 PolarHBondContact O-N 3.24Å
820	E	81.6	Confident	85.5	Confident	13 Å²	13	39.4 Å²	39.4	6%	0.061	19%	0.191	C	C	.	.	H	α-helix	trans	-101.7	-17.1	-178.1	-72.5	165.9	-171.9	0	0	112.4	T753 V816 R817 S818 E822 I823 S824	T753-E820 HydrophobicContact CG2-CB 3.85Å; T753-E820 HydrophobicContact CG2-CG 3.92Å; V816-E820 HydrophobicContact CG1-CB 4.38Å; R817-E820 HydrophobicContact CB-CB 4.37Å; R817-E820 HydrophobicContact CB-CG 4.45Å; R817-E820 IonicContact CZ-OE1 2.77Å; R817-E820 IonicContact CZ-OE2 3.26Å; R817-E820 VanDerWaalsContact NE-CD 3.34Å; R817-E820 IonicContact NE-OE1 3.92Å; R817-E820 PolarHBondContact NE-OE1 3.31Å; R817-E820 VanDerWaalsContact NE-OE1 3.16Å; R817-E820 IonicContact NE-OE2 3.28Å; R817-E820 PolarHBondContact NE-OE2 2.89Å; R817-E820 IonicContact NH1-OE1 2.76Å; R817-E820 IonicContact NH2-OE1 3.11Å; R817-E820 PolarHBondContact NH2-OE1 3.11Å; R817-E820 IonicContact NH2-OE2 2.65Å; R817-E820 PolarHBondContact NH2-OE2 3.42Å; R817-E820 VanDerWaalsContact NH2-OE2 3.08Å; R817-E820 PolarHBondContact O-N 3.43Å; S818-E820 VanDerWaalsContact C-N 3.3Å; S818-E820 PolarHBondContact O-N 3.46Å; E820-E822 PolarHBondContact O-N 2.99Å; E820-I823 PolarHBondContact O-N 2.87Å; E820-S824 WeakPolarHBondContact O-CB 3.32Å; E820-S824 PolarHBondContact O-N 3.3Å; E820-S824 PolarHBondContact O-OG 3.41Å
821	L	85.4	Confident	85.5	Confident	2 Å²	2	43 Å²	43	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-58.1	-50.6	-170.9	-177.3	66.9	0	0	0	112.7	I813 V816 R817 I823 S824 L825 L852	I813-L821 HydrophobicContact CG2-CD1 4.03Å; V816-L821 HydrophobicContact CB-CD1 4.21Å; V816-L821 HydrophobicContact CG1-CB 4.38Å; V816-L821 HydrophobicContact CG1-CD1 4.19Å; R817-L821 PolarHBondContact O-N 3.12Å; L821-I823 PolarHBondContact O-N 3.44Å; L821-S824 PolarHBondContact O-N 3.19Å; L821-L825 HydrophobicContact CG-CD1 4.42Å; L821-L825 VanDerWaalsContact O-CG 3.32Å; L821-L825 WeakPolarHBondContact O-CG 3.1Å; L821-L825 PolarHBondContact O-N 2.84Å; L821-L852 HydrophobicContact CD2-CD1 3.45Å; L821-L852 VanDerWaalsContact CD2-CD1 3.45Å
822	E	83.2	Confident	85.5	Confident	44 Å²	44	41.8 Å²	41.8	21%	0.206	21%	0.206	C	C	.	.	H	α-helix	trans	-60.7	-45.9	-179.9	-74.4	173	-155.5	0	0	111.3	E820 S824 L825 L826 R855 F859	E820-E822 PolarHBondContact O-N 2.99Å; E822-S824 VanDerWaalsContact C-N 3.32Å; E822-S824 PolarHBondContact O-N 2.9Å; E822-L825 PolarHBondContact O-N 3.39Å; E822-L826 PolarHBondContact O-N 2.95Å; E822-R855 IonicContact OE1-CZ 3.37Å; E822-R855 VanDerWaalsContact OE1-CZ 3.26Å; E822-R855 IonicContact OE1-NE 2.62Å; E822-R855 PolarHBondContact OE1-NE 2.93Å; E822-R855 IonicContact OE1-NH2 2.82Å; E822-R855 PolarHBondContact OE1-NH2 2.7Å; E822-F859 HydrophobicContact CB-CD1 4.43Å; E822-F859 HydrophobicContact CB-CD2 4.01Å; E822-F859 HydrophobicContact CB-CE1 4.06Å; E822-F859 HydrophobicContact CB-CE2 3.6Å; E822-F859 HydrophobicContact CB-CG 4.39Å; E822-F859 HydrophobicContact CB-CZ 3.6Å; E822-F859 HydrophobicContact CG-CD1 4.47Å; E822-F859 HydrophobicContact CG-CD2 3.73Å; E822-F859 HydrophobicContact CG-CE2 3.85Å; E822-F859 HydrophobicContact CG-CG 4.04Å; E822-F859 HydrophobicContact CG-CZ 4.25Å; E822-F859 WeakPolarHBondContact O-CE1 3.15Å; E822-F859 WeakPolarHBondContact O-CZ 3.43Å
823	I	80.9	Confident	85.5	Confident	16 Å²	16	41.1 Å²	41.1	8%	0.082	20%	0.202	C	C	.	.	H	α-helix	trans	-67.6	-37.6	180	-57.2	162.6	0	0	0	110.7	G747 K749 T753 E820 L821 L825 L826 V827	G747-I823 VanDerWaalsContact CA-CD1 3.41Å; K749-I823 HydrophobicContact CG-CG2 4.24Å; T753-I823 HydrophobicContact CG2-CB 3.95Å; T753-I823 HydrophobicContact CG2-CG2 3.88Å; E820-I823 PolarHBondContact O-N 2.87Å; L821-I823 PolarHBondContact O-N 3.44Å; I823-L825 VanDerWaalsContact C-N 3.33Å; I823-L825 PolarHBondContact O-N 2.97Å; I823-L826 WeakPolarHBondContact O-CB 3.3Å; I823-L826 PolarHBondContact O-N 2.84Å; I823-V827 WeakPolarHBondContact O-CG2 3.3Å; I823-V827 PolarHBondContact O-N 2.65Å
824	S	85.9	Confident	85.4	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.6	-40.6	176.6	-53.8	0	0	0	0	111.1	T753 A757 E820 L821 E822 L826 V827	T753-S824 PolarHBondContact O-OG 2.81Å; A757-S824 WeakPolarHBondContact CB-O 3.43Å; E820-S824 WeakPolarHBondContact O-CB 3.32Å; E820-S824 PolarHBondContact O-N 3.3Å; E820-S824 PolarHBondContact O-OG 3.41Å; L821-S824 PolarHBondContact O-N 3.19Å; E822-S824 VanDerWaalsContact C-N 3.32Å; E822-S824 PolarHBondContact O-N 2.9Å; S824-L826 VanDerWaalsContact C-N 3.33Å; S824-L826 PolarHBondContact O-N 2.91Å; S824-V827 PolarHBondContact O-N 2.88Å
825	L	86.3	Confident	85.3	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-66.6	-33.1	174.9	-69.4	175.4	0	0	0	112.5	L821 E822 I823 V827 L828 L836 C856 F859 L860	L821-L825 HydrophobicContact CG-CD1 4.42Å; L821-L825 VanDerWaalsContact O-CG 3.32Å; L821-L825 WeakPolarHBondContact O-CG 3.1Å; L821-L825 PolarHBondContact O-N 2.84Å; E822-L825 PolarHBondContact O-N 3.39Å; I823-L825 VanDerWaalsContact C-N 3.33Å; I823-L825 PolarHBondContact O-N 2.97Å; L825-V827 VanDerWaalsContact C-N 3.27Å; L825-V827 PolarHBondContact O-N 2.8Å; L825-L828 HydrophobicContact CD2-CD1 3.61Å; L825-L828 WeakPolarHBondContact O-CB 3.28Å; L825-L828 PolarHBondContact O-N 3.12Å; L825-L836 HydrophobicContact CD2-CD2 4.14Å; L825-C856 HydrophobicContact CD1-CB 3.84Å; L825-F859 HydrophobicContact CB-CD1 3.88Å; L825-F859 HydrophobicContact CB-CE1 3.83Å; L825-F859 HydrophobicContact CD1-CD1 4.03Å; L825-L860 HydrophobicContact CB-CD2 4.18Å; L825-L860 HydrophobicContact CD1-CG 4.44Å
826	L	85	Confident	85.4	Confident	40 Å²	40	30.6 Å²	30.6	21%	0.209	16%	0.163	C	C	.	.	H	α-helix	trans	-66.6	-27.6	175.3	178	66.2	0	0	0	112.7	P733 V735 E822 I823 S824 L828 F859 I863	P733-L826 HydrophobicContact CB-CD2 3.96Å; P733-L826 HydrophobicContact CG-CD2 3.65Å; V735-L826 HydrophobicContact CG2-CD1 4.4Å; E822-L826 PolarHBondContact O-N 2.95Å; I823-L826 WeakPolarHBondContact O-CB 3.3Å; I823-L826 PolarHBondContact O-N 2.84Å; S824-L826 VanDerWaalsContact C-N 3.33Å; S824-L826 PolarHBondContact O-N 2.91Å; L826-L828 VanDerWaalsContact C-N 3.28Å; L826-F859 HydrophobicContact CB-CE1 4.36Å; L826-F859 HydrophobicContact CB-CZ 4.37Å; L826-I863 HydrophobicContact CB-CD1 4.22Å; L826-I863 HydrophobicContact CD1-CD1 3.71Å; L826-I863 HydrophobicContact CD1-CG1 4.35Å; L826-I863 HydrophobicContact CD1-CG2 4.09Å
827	V	84.8	Confident	85.5	Confident	39 Å²	39	30 Å²	30	24%	0.236	16%	0.16	C	C	.	.	H	α-helix	trans	-76.6	-17.7	177.4	175.7	0	0	0	0	111.7	K749 A757 I823 S824 L825 P829	K749-V827 HydrophobicContact CD-CG2 4.49Å; K749-V827 HydrophobicContact CG-CG2 4.48Å; A757-V827 HydrophobicContact CB-CB 3.97Å; A757-V827 HydrophobicContact CB-CG1 3.91Å; I823-V827 WeakPolarHBondContact O-CG2 3.3Å; I823-V827 PolarHBondContact O-N 2.65Å; S824-V827 PolarHBondContact O-N 2.88Å; L825-V827 VanDerWaalsContact C-N 3.27Å; L825-V827 PolarHBondContact O-N 2.8Å; V827-P829 WeakPolarHBondContact O-CD 3.31Å
828	L	85.2	Confident	85.8	Confident	6 Å²	6	31 Å²	31	3%	0.031	17%	0.167	C	C	.	.	S	Bend	trans	-66.6	130.4	-177.6	-67.3	175.7	0	0	0	112.1	A757 I760 M761 L825 L826 L836	A757-L828 HydrophobicContact CB-CD2 4.25Å; I760-L828 HydrophobicContact CB-CD2 4.44Å; I760-L828 HydrophobicContact CG2-CD1 4.21Å; I760-L828 HydrophobicContact CG2-CD2 4.25Å; M761-L828 HydrophobicContact CG-CD2 3.62Å; M761-L828 HydrophobicContact SD-CD2 4.34Å; L825-L828 HydrophobicContact CD2-CD1 3.61Å; L825-L828 WeakPolarHBondContact O-CB 3.28Å; L825-L828 PolarHBondContact O-N 3.12Å; L826-L828 VanDerWaalsContact C-N 3.28Å; L828-L836 HydrophobicContact CD1-CD2 4.47Å
829	P	87.5	Confident	86.2	Confident	58 Å²	58	29.2 Å²	29.2	38%	0.377	15%	0.154	S	C	.	.			trans	-64.4	144.9	170.9	-21.7	33.3	0	0	0	112.2	M761 V827 P831 Y832	M761-P829 HydrophobicContact SD-CG 4.19Å; V827-P829 WeakPolarHBondContact O-CD 3.31Å; P829-P831 VanDerWaalsContact C-N 3.33Å; P829-P831 VanDerWaalsContact O-N 3.14Å; P829-Y832 HydrophobicContact CB-CD2 4.05Å; P829-Y832 HydrophobicContact CB-CE2 4.28Å; P829-Y832 HydrophobicContact CG-CD2 4.18Å; P829-Y832 HydrophobicContact CG-CE2 4.15Å; P829-Y832 PolarHBondContact O-N 3.49Å; P829-Y832 VanDerWaalsContact O-N 3.13Å
830	F	86.2	Confident	86.7	Confident	55 Å²	55	28.2 Å²	28.2	24%	0.241	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-51.9	-36.3	-178.8	-176.9	-106.8	0	0	0	115.5	Y832 V833 P834 H864 Q867 I868	F830-Y832 PolarHBondContact O-N 2.64Å; F830-Y832 VanDerWaalsContact O-N 3.07Å; F830-V833 HydrophobicContact CD2-CB 4.39Å; F830-V833 WeakPolarHBondContact O-CB 3.39Å; F830-V833 PolarHBondContact O-N 2.87Å; F830-P834 WeakPolarHBondContact O-CD 3.24Å; F830-H864 HydrophobicContact CD2-CB 4.35Å; F830-H864 AromaticContact CD2-ND1 3.71Å; F830-H864 HydrophobicContact CE2-CB 4.28Å; F830-Q867 HydrophobicContact CD2-CB 3.97Å; F830-Q867 HydrophobicContact CE1-CB 4.44Å; F830-Q867 HydrophobicContact CE2-CB 3.48Å; F830-Q867 VanDerWaalsContact CE2-CB 3.48Å; F830-Q867 HydrophobicContact CZ-CB 3.75Å; F830-I868 HydrophobicContact CE2-CG1 4.31Å
831	P	88.4	Confident	87	Confident	85 Å²	85	28 Å²	28	55%	0.552	15%	0.146	S	C	*	.	G	3₁₀ helix	trans	-54.9	-27.3	178.3	-29.8	37.1	0	0	0	115.6	P829	P829-P831 VanDerWaalsContact C-N 3.33Å; P829-P831 VanDerWaalsContact O-N 3.14Å
832	Y	89.6	Confident	87.1	Confident	35 Å²	35	29.8 Å²	29.8	14%	0.137	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-83.4	-21.3	179.1	-63.5	-83.3	0	0	0	112.9	M761 L764 E765 P829 F830 E835 L836	M761-Y832 HydrophobicContact CB-CE1 4.42Å; M761-Y832 HydrophobicContact CG-CD2 4.36Å; M761-Y832 HydrophobicContact CG-CE2 4.22Å; M761-Y832 HydrophobicContact SD-CD2 4.45Å; M761-Y832 HydrophobicContact SD-CE2 4.04Å; L764-Y832 HydrophobicContact CB-CD1 4.11Å; L764-Y832 HydrophobicContact CD1-CD1 4.06Å; L764-Y832 HydrophobicContact CD1-CG 4.39Å; E765-Y832 HydrophobicContact CG-CE1 3.98Å; E765-Y832 PolarHBondContact OE1-OH 2.86Å; P829-Y832 HydrophobicContact CB-CD2 4.05Å; P829-Y832 HydrophobicContact CB-CE2 4.28Å; P829-Y832 HydrophobicContact CG-CD2 4.18Å; P829-Y832 HydrophobicContact CG-CE2 4.15Å; P829-Y832 PolarHBondContact O-N 3.49Å; P829-Y832 VanDerWaalsContact O-N 3.13Å; F830-Y832 PolarHBondContact O-N 2.64Å; F830-Y832 VanDerWaalsContact O-N 3.07Å; Y832-E835 PolarHBondContact O-N 3.36Å; Y832-L836 PolarHBondContact O-N 2.93Å; Y832-L836 VanDerWaalsContact O-N 3.13Å
833	V	88.1	Confident	87.4	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.8	-46.7	-174.6	178.3	0	0	0	0	112.6	F830 E835 L836 L837 L860	F830-V833 HydrophobicContact CD2-CB 4.39Å; F830-V833 WeakPolarHBondContact O-CB 3.39Å; F830-V833 PolarHBondContact O-N 2.87Å; V833-E835 VanDerWaalsContact C-N 3.27Å; V833-E835 PolarHBondContact O-N 2.85Å; V833-L836 PolarHBondContact O-N 2.99Å; V833-L837 HydrophobicContact CG1-CD1 4.28Å; V833-L837 HydrophobicContact CG1-CG 4.37Å; V833-L837 WeakPolarHBondContact O-CG 3.49Å; V833-L837 PolarHBondContact O-N 3.12Å; V833-L860 HydrophobicContact CG1-CD2 4.44Å; V833-L860 HydrophobicContact CG2-CD2 4.26Å
834	P	88.6	Confident	87.7	Confident	25 Å²	25	26.9 Å²	26.9	16%	0.162	15%	0.146	C	C	.	.	H	α-helix	trans	-55.3	-38.1	174.6	-31.3	38.4	0	0	0	114.5	F830 K838 L874	F830-P834 WeakPolarHBondContact O-CD 3.24Å; P834-K838 WeakPolarHBondContact O-CG 3.41Å; P834-K838 PolarHBondContact O-N 3.11Å; P834-L874 HydrophobicContact CB-CD2 3.95Å; P834-L874 HydrophobicContact CG-CD1 4.49Å; P834-L874 HydrophobicContact CG-CD2 4.4Å
835	E	86.9	Confident	87.7	Confident	43 Å²	43	33 Å²	33	20%	0.201	17%	0.174	C	C	.	.	H	α-helix	trans	-70.1	-42.2	179.7	-65.5	-176.8	164.2	0	0	110.9	R768 Y832 V833 L837 K838 L839	R768-E835 IonicContact CZ-OE1 3.97Å; R768-E835 IonicContact CZ-OE2 2.7Å; R768-E835 IonicContact NE-OE1 3.76Å; R768-E835 PolarHBondContact NE-OE1 3.03Å; R768-E835 IonicContact NE-OE2 2.72Å; R768-E835 IonicContact NH2-OE1 3.82Å; R768-E835 PolarHBondContact NH2-OE1 3.12Å; R768-E835 IonicContact NH2-OE2 3.83Å; R768-E835 PolarHBondContact NH2-OE2 2.81Å; Y832-E835 PolarHBondContact O-N 3.36Å; V833-E835 VanDerWaalsContact C-N 3.27Å; V833-E835 PolarHBondContact O-N 2.85Å; E835-L837 VanDerWaalsContact C-N 3.35Å; E835-L837 PolarHBondContact O-N 2.98Å; E835-K838 PolarHBondContact O-N 2.88Å; E835-L839 PolarHBondContact O-N 3.44Å
836	L	90.3	Very high	87.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.2	-39.8	176.2	-167	66.3	0	0	0	112	L764 I813 L825 L828 Y832 V833 K838 L839 F840 L860	L764-L836 HydrophobicContact CD2-CD1 4.32Å; I813-L836 HydrophobicContact CD1-CD1 3.92Å; L825-L836 HydrophobicContact CD2-CD2 4.14Å; L828-L836 HydrophobicContact CD1-CD2 4.47Å; Y832-L836 PolarHBondContact O-N 2.93Å; Y832-L836 VanDerWaalsContact O-N 3.13Å; V833-L836 PolarHBondContact O-N 2.99Å; L836-K838 PolarHBondContact O-N 3.23Å; L836-L839 WeakPolarHBondContact O-CB 3.45Å; L836-L839 PolarHBondContact O-N 3.4Å; L836-F840 HydrophobicContact CD1-CD1 4.38Å; L836-F840 HydrophobicContact CD1-CE1 3.68Å; L836-F840 HydrophobicContact CD1-CZ 3.83Å; L836-F840 HydrophobicContact CD2-CE1 4.46Å; L836-F840 HydrophobicContact CD2-CE2 4.12Å; L836-F840 HydrophobicContact CD2-CZ 3.77Å; L836-F840 HydrophobicContact CG-CD1 4.39Å; L836-F840 HydrophobicContact CG-CD2 4.47Å; L836-F840 HydrophobicContact CG-CE1 3.8Å; L836-F840 HydrophobicContact CG-CE2 3.89Å; L836-F840 HydrophobicContact CG-CZ 3.52Å; L836-F840 WeakPolarHBondContact O-CD1 3.33Å; L836-F840 VanDerWaalsContact O-CG 3.24Å; L836-F840 WeakPolarHBondContact O-CG 3.31Å; L836-F840 PolarHBondContact O-N 3.49Å; L836-L860 HydrophobicContact CD2-CD1 3.47Å; L836-L860 VanDerWaalsContact CD2-CD1 3.47Å; L836-L860 HydrophobicContact CG-CD1 4.33Å
837	L	89.2	Confident	87.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-40.5	175.1	-70.2	176.9	0	0	0	112.5	V833 E835 F840 S841 L857 I868 V877 L881	V833-L837 HydrophobicContact CG1-CD1 4.28Å; V833-L837 HydrophobicContact CG1-CG 4.37Å; V833-L837 WeakPolarHBondContact O-CG 3.49Å; V833-L837 PolarHBondContact O-N 3.12Å; E835-L837 VanDerWaalsContact C-N 3.35Å; E835-L837 PolarHBondContact O-N 2.98Å; L837-F840 PolarHBondContact O-N 3.09Å; L837-S841 PolarHBondContact O-N 2.99Å; L837-S841 VanDerWaalsContact O-N 3.17Å; L837-L857 HydrophobicContact CD2-CD1 3.4Å; L837-L857 VanDerWaalsContact CD2-CD1 3.4Å; L837-I868 HydrophobicContact CD1-CD1 4.2Å; L837-V877 HydrophobicContact CB-CG1 4.37Å; L837-L881 HydrophobicContact CB-CD1 4.17Å; L837-L881 HydrophobicContact CD2-CD1 4.2Å
838	K	88.5	Confident	87.4	Confident	126 Å²	126	38.1 Å²	38.1	55%	0.548	21%	0.206	S	C	.	.	H	α-helix	trans	-64.4	-42.9	174.4	-70.4	175.8	-178.2	-179.9	0	111.6	P834 E835 L836 F840 S841 S842 V877	P834-K838 WeakPolarHBondContact O-CG 3.41Å; P834-K838 PolarHBondContact O-N 3.11Å; E835-K838 PolarHBondContact O-N 2.88Å; L836-K838 PolarHBondContact O-N 3.23Å; K838-F840 VanDerWaalsContact C-N 3.34Å; K838-F840 PolarHBondContact O-N 3.47Å; K838-S841 WeakPolarHBondContact O-CB 3Å; K838-S841 PolarHBondContact O-N 2.81Å; K838-S842 PolarHBondContact O-N 2.87Å; K838-V877 HydrophobicContact CG-CG1 4.02Å; K838-V877 HydrophobicContact CG-CG2 4.11Å
839	L	89.4	Confident	87.3	Confident	3 Å²	3	41 Å²	41	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-61.7	-41.7	175.8	-76.3	176.2	0	0	0	112	L764 Y767 V809 E835 L836 S841 S842 Y843	L764-L839 HydrophobicContact CD2-CD1 3.72Å; Y767-L839 HydrophobicContact CD1-CD1 4.16Å; Y767-L839 HydrophobicContact CD2-CD2 4.27Å; Y767-L839 HydrophobicContact CE1-CD1 4.17Å; Y767-L839 HydrophobicContact CE1-CD2 3.97Å; Y767-L839 HydrophobicContact CE1-CG 4.18Å; Y767-L839 HydrophobicContact CE2-CD2 3.62Å; Y767-L839 HydrophobicContact CG-CD1 4.42Å; Y767-L839 VanDerWaalsContact CZ-CD2 3.44Å; V809-L839 HydrophobicContact CB-CD1 4.45Å; V809-L839 HydrophobicContact CG1-CD1 4.11Å; V809-L839 HydrophobicContact CG2-CD1 4.42Å; E835-L839 PolarHBondContact O-N 3.44Å; L836-L839 WeakPolarHBondContact O-CB 3.45Å; L836-L839 PolarHBondContact O-N 3.4Å; L839-S841 VanDerWaalsContact C-N 3.32Å; L839-S841 PolarHBondContact O-N 2.9Å; L839-S842 WeakPolarHBondContact O-CB 3.48Å; L839-S842 PolarHBondContact O-N 3.45Å; L839-S842 VanDerWaalsContact O-N 3.12Å; L839-Y843 HydrophobicContact CB-CE2 3.91Å; L839-Y843 WeakPolarHBondContact O-CD2 3.47Å; L839-Y843 VanDerWaalsContact O-CG 3.27Å; L839-Y843 PolarHBondContact O-N 2.92Å
840	F	90.3	Very high	87.1	Confident	1 Å²	1	38.8 Å²	38.8	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-61.2	-38.8	176.5	-69.8	-10	0	0	0	112.5	I813 L836 L837 K838 S842 Y843 I844 V853 C856 L857 L860 L881	I813-F840 HydrophobicContact CD1-CE1 4.11Å; L836-F840 HydrophobicContact CD1-CD1 4.38Å; L836-F840 HydrophobicContact CD1-CE1 3.68Å; L836-F840 HydrophobicContact CD1-CZ 3.83Å; L836-F840 HydrophobicContact CD2-CE1 4.46Å; L836-F840 HydrophobicContact CD2-CE2 4.12Å; L836-F840 HydrophobicContact CD2-CZ 3.77Å; L836-F840 HydrophobicContact CG-CD1 4.39Å; L836-F840 HydrophobicContact CG-CD2 4.47Å; L836-F840 HydrophobicContact CG-CE1 3.8Å; L836-F840 HydrophobicContact CG-CE2 3.89Å; L836-F840 HydrophobicContact CG-CZ 3.52Å; L836-F840 WeakPolarHBondContact O-CD1 3.33Å; L836-F840 VanDerWaalsContact O-CG 3.24Å; L836-F840 WeakPolarHBondContact O-CG 3.31Å; L836-F840 PolarHBondContact O-N 3.49Å; L837-F840 PolarHBondContact O-N 3.09Å; K838-F840 VanDerWaalsContact C-N 3.34Å; K838-F840 PolarHBondContact O-N 3.47Å; F840-S842 VanDerWaalsContact C-N 3.3Å; F840-S842 PolarHBondContact O-N 3.05Å; F840-Y843 AromaticContact CD1-CD2 3.89Å; F840-Y843 HydrophobicContact CD1-CD2 3.89Å; F840-Y843 HydrophobicContact CD1-CE2 4.12Å; F840-Y843 PolarHBondContact O-N 3.18Å; F840-I844 WeakPolarHBondContact O-CB 3.25Å; F840-I844 WeakPolarHBondContact O-CD1 3.25Å; F840-I844 VanDerWaalsContact O-CG1 3.23Å; F840-I844 WeakPolarHBondContact O-CG1 3.48Å; F840-I844 PolarHBondContact O-N 2.75Å; F840-V853 HydrophobicContact CB-CG1 3.66Å; F840-V853 HydrophobicContact CD1-CG1 3.68Å; F840-V853 HydrophobicContact CD2-CG1 4.23Å; F840-V853 HydrophobicContact CE1-CG1 4.33Å; F840-V853 HydrophobicContact CG-CG1 3.61Å; F840-C856 HydrophobicContact CE2-CB 3.61Å; F840-C856 HydrophobicContact CZ-CB 3.48Å; F840-C856 VanDerWaalsContact CZ-CB 3.48Å; F840-L857 HydrophobicContact CD2-CB 4.04Å; F840-L857 HydrophobicContact CD2-CD1 4.29Å; F840-L857 HydrophobicContact CE2-CB 4.45Å; F840-L860 HydrophobicContact CE2-CD1 3.84Å; F840-L860 HydrophobicContact CZ-CD1 4.48Å; F840-L881 HydrophobicContact CB-CD2 4.16Å
841	S	88.3	Confident	87	Confident	8 Å²	8	43.3 Å²	43.3	6%	0.056	23%	0.226	C	C	.	.	H	α-helix	trans	-58.5	-44.9	174	-170.8	0	0	0	0	111.1	L837 K838 L839 Q845 N884	L837-S841 PolarHBondContact O-N 2.99Å; L837-S841 VanDerWaalsContact O-N 3.17Å; K838-S841 WeakPolarHBondContact O-CB 3Å; K838-S841 PolarHBondContact O-N 2.81Å; L839-S841 VanDerWaalsContact C-N 3.32Å; L839-S841 PolarHBondContact O-N 2.9Å; S841-Q845 WeakPolarHBondContact O-CB 3.3Å; S841-Q845 PolarHBondContact O-N 3.07Å; S841-N884 PolarHBondContact OG-ND2 2.74Å
842	S	87.6	Confident	86.9	Confident	40 Å²	40	41.3 Å²	41.3	28%	0.28	21%	0.211	S	C	.	.	H	α-helix	trans	-63.3	-43.9	176.4	-169.1	0	0	0	0	112.7	K838 L839 F840 Q845 Q846	K838-S842 PolarHBondContact O-N 2.87Å; L839-S842 WeakPolarHBondContact O-CB 3.48Å; L839-S842 PolarHBondContact O-N 3.45Å; L839-S842 VanDerWaalsContact O-N 3.12Å; F840-S842 VanDerWaalsContact C-N 3.3Å; F840-S842 PolarHBondContact O-N 3.05Å; S842-Q845 PolarHBondContact O-N 3.27Å; S842-Q846 WeakPolarHBondContact O-CG 3.43Å; S842-Q846 PolarHBondContact O-N 3.05Å
843	Y	89.1	Confident	86.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.7	-42.7	179.7	-58.8	-28.6	0	0	0	112.5	S806 L810 L839 F840 Q845 Q846 G847 L848 V853	S806-Y843 PolarHBondContact O-OH 2.65Å; L810-Y843 HydrophobicContact CB-CE1 4.46Å; L810-Y843 HydrophobicContact CB-CE2 4.27Å; L810-Y843 HydrophobicContact CD1-CD2 4.07Å; L810-Y843 HydrophobicContact CD1-CE2 4.26Å; L839-Y843 HydrophobicContact CB-CE2 3.91Å; L839-Y843 WeakPolarHBondContact O-CD2 3.47Å; L839-Y843 VanDerWaalsContact O-CG 3.27Å; L839-Y843 PolarHBondContact O-N 2.92Å; F840-Y843 AromaticContact CD1-CD2 3.89Å; F840-Y843 HydrophobicContact CD1-CD2 3.89Å; F840-Y843 HydrophobicContact CD1-CE2 4.12Å; F840-Y843 PolarHBondContact O-N 3.18Å; Y843-Q845 VanDerWaalsContact C-N 3.35Å; Y843-Q846 CarbonylContact O-C 3.51Å; Y843-Q846 PolarHBondContact O-N 3.48Å; Y843-G847 PolarHBondContact O-N 3.46Å; Y843-L848 HydrophobicContact CD1-CD1 4.47Å; Y843-L848 PolarHBondContact O-N 3.49Å; Y843-V853 HydrophobicContact CD2-CG2 4.19Å
844	I	86.5	Confident	86.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.7	-42.7	178.1	-66.6	158.5	0	0	0	110	F840 Q846 G847 V853 L857 L881 N884 T885 K888	F840-I844 WeakPolarHBondContact O-CB 3.25Å; F840-I844 WeakPolarHBondContact O-CD1 3.25Å; F840-I844 VanDerWaalsContact O-CG1 3.23Å; F840-I844 WeakPolarHBondContact O-CG1 3.48Å; F840-I844 PolarHBondContact O-N 2.75Å; I844-Q846 VanDerWaalsContact C-N 3.27Å; I844-Q846 PolarHBondContact O-N 3.24Å; I844-G847 PolarHBondContact O-N 2.86Å; I844-V853 HydrophobicContact CD1-CG1 3.88Å; I844-V853 HydrophobicContact CG1-CB 4.49Å; I844-V853 HydrophobicContact CG1-CG1 3.8Å; I844-L857 HydrophobicContact CD1-CD2 4.3Å; I844-L881 HydrophobicContact CD1-CD2 4.04Å; I844-N884 HydrophobicContact CG2-CB 3.92Å; I844-T885 HydrophobicContact CD1-CG2 3.49Å; I844-T885 VanDerWaalsContact CD1-CG2 3.49Å; I844-T885 HydrophobicContact CG2-CG2 4.45Å; I844-K888 HydrophobicContact CG2-CB 4.15Å; I844-K888 HydrophobicContact CG2-CG 3.95Å; I844-K888 WeakPolarHBondContact O-CG 3.34Å
845	Q	86.5	Confident	86.8	Confident	128 Å²	128	41.8 Å²	41.8	60%	0.598	21%	0.211	S	C	*	.	H	α-helix	trans	-59.5	-39.9	176.2	-167.2	179.3	16.2	0	0	111.8	S841 S842 Y843 G847	S841-Q845 WeakPolarHBondContact O-CB 3.3Å; S841-Q845 PolarHBondContact O-N 3.07Å; S842-Q845 PolarHBondContact O-N 3.27Å; Y843-Q845 VanDerWaalsContact C-N 3.35Å; Q845-G847 VanDerWaalsContact C-N 3.3Å; Q845-G847 PolarHBondContact O-N 2.83Å
846	Q	85.6	Confident	86.8	Confident	104 Å²	104	39.8 Å²	39.8	49%	0.486	20%	0.202	S	C	.	.	H	α-helix	trans	-76.6	-12.8	176.4	-67.6	178	16.3	0	0	113.9	S842 Y843 I844 L848	S842-Q846 WeakPolarHBondContact O-CG 3.43Å; S842-Q846 PolarHBondContact O-N 3.05Å; Y843-Q846 CarbonylContact O-C 3.51Å; Y843-Q846 PolarHBondContact O-N 3.48Å; I844-Q846 VanDerWaalsContact C-N 3.27Å; I844-Q846 PolarHBondContact O-N 3.24Å; Q846-L848 VanDerWaalsContact C-N 3.34Å; Q846-L848 HydrophobicContact CB-CD1 4.22Å; Q846-L848 HydrophobicContact CB-CG 4.03Å
847	G	81.6	Confident	86.8	Confident	38 Å²	38	40 Å²	40	39%	0.392	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	23.4	-177.6	0	0	0	0	0	114.2	Y843 I844 Q845	Y843-G847 PolarHBondContact O-N 3.46Å; I844-G847 PolarHBondContact O-N 2.86Å; Q845-G847 VanDerWaalsContact C-N 3.3Å; Q845-G847 PolarHBondContact O-N 2.83Å
848	L	83	Confident	86.7	Confident	45 Å²	45	45.9 Å²	45.9	24%	0.236	23%	0.229	C	C	.	.	S	Bend	trans	-82.6	121.9	177.8	-61.9	174.4	0	0	0	109.9	L810 Y843 Q846 V850	L810-L848 HydrophobicContact CD2-CB 3.78Å; L810-L848 HydrophobicContact CD2-CD1 4.06Å; L810-L848 HydrophobicContact CD2-CG 4.49Å; Y843-L848 HydrophobicContact CD1-CD1 4.47Å; Y843-L848 PolarHBondContact O-N 3.49Å; Q846-L848 VanDerWaalsContact C-N 3.34Å; Q846-L848 HydrophobicContact CB-CD1 4.22Å; Q846-L848 HydrophobicContact CB-CG 4.03Å; L848-V850 VanDerWaalsContact C-N 3.29Å; L848-V850 PolarHBondContact O-N 2.55Å; L848-V850 VanDerWaalsContact O-N 3.1Å
849	E	81.4	Confident	86.6	Confident	66 Å²	66	41.5 Å²	41.5	31%	0.308	21%	0.21	S	C	.	.	S	Bend	trans	40.8	52.6	171	-63.1	-175.7	-179.7	0	0	114.2	R814 E851 L852 V853	R814-E849 VanDerWaalsContact CD-OE1 3.26Å; R814-E849 WeakPolarHBondContact CD-OE1 2.85Å; R814-E849 IonicContact CZ-OE1 3.41Å; R814-E849 IonicContact NE-OE1 3.41Å; R814-E849 PolarHBondContact NE-OE1 2.69Å; R814-E849 IonicContact NH1-OE1 3.86Å; R814-E849 PolarHBondContact NH1-OE1 3.01Å; E849-E851 VanDerWaalsContact C-N 3.28Å; E849-E851 PolarHBondContact O-N 2.9Å; E849-L852 HydrophobicContact CB-CB 4.38Å; E849-L852 PolarHBondContact O-N 3.32Å; E849-V853 WeakPolarHBondContact O-CG2 3.31Å; E849-V853 PolarHBondContact O-N 2.84Å; E849-V853 VanDerWaalsContact O-N 3.08Å
850	V	84.3	Confident	86.5	Confident	12 Å²	12	41.4 Å²	41.4	7%	0.073	21%	0.209	C	C	.	.	H	α-helix	trans	-57.4	-38.7	-170.5	-178.6	0	0	0	0	112.4	L848 V853 C854 K888 I892	L848-V850 VanDerWaalsContact C-N 3.29Å; L848-V850 PolarHBondContact O-N 2.55Å; L848-V850 VanDerWaalsContact O-N 3.1Å; V850-V853 PolarHBondContact O-N 3.16Å; V850-C854 WeakPolarHBondContact O-CB 3.29Å; V850-C854 PolarHBondContact O-N 3.21Å; V850-C854 PolarHBondContact O-SG 3.46Å; V850-K888 HydrophobicContact CG1-CB 4.47Å; V850-I892 HydrophobicContact CB-CD1 3.78Å; V850-I892 HydrophobicContact CG1-CD1 3.91Å; V850-I892 HydrophobicContact CG2-CD1 4.12Å
851	E	83.9	Confident	86.3	Confident	151 Å²	151	43.7 Å²	43.7	71%	0.706	22%	0.221	S	C	*	.	H	α-helix	trans	-62.7	-47.3	-179.9	-65.2	177.8	174.2	0	0	112.3	E849 C854 R855	E849-E851 VanDerWaalsContact C-N 3.28Å; E849-E851 PolarHBondContact O-N 2.9Å; E851-C854 PolarHBondContact O-N 2.99Å; E851-R855 WeakPolarHBondContact O-CB 3.42Å; E851-R855 PolarHBondContact O-N 3.23Å
852	L	86.8	Confident	86.2	Confident	43 Å²	43	50 Å²	50	23%	0.225	25%	0.247	C	C	.	.	H	α-helix	trans	-63.3	-47.8	178.1	-179.4	65.2	0	0	0	110.8	I813 L821 E849 C854 R855 C856	I813-L852 HydrophobicContact CG2-CD2 4.19Å; L821-L852 HydrophobicContact CD2-CD1 3.45Å; L821-L852 VanDerWaalsContact CD2-CD1 3.45Å; E849-L852 HydrophobicContact CB-CB 4.38Å; E849-L852 PolarHBondContact O-N 3.32Å; L852-C854 PolarHBondContact O-N 2.88Å; L852-R855 PolarHBondContact O-N 2.91Å; L852-C856 PolarHBondContact O-N 3.12Å; L852-C856 PolarHBondContact O-SG 2.79Å
853	V	88.3	Confident	85.9	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-41.9	179.8	176.7	0	0	0	0	111.1	L810 F840 Y843 I844 E849 V850 C856 L857	L810-V853 HydrophobicContact CD1-CG2 4.12Å; F840-V853 HydrophobicContact CB-CG1 3.66Å; F840-V853 HydrophobicContact CD1-CG1 3.68Å; F840-V853 HydrophobicContact CD2-CG1 4.23Å; F840-V853 HydrophobicContact CE1-CG1 4.33Å; F840-V853 HydrophobicContact CG-CG1 3.61Å; Y843-V853 HydrophobicContact CD2-CG2 4.19Å; I844-V853 HydrophobicContact CD1-CG1 3.88Å; I844-V853 HydrophobicContact CG1-CB 4.49Å; I844-V853 HydrophobicContact CG1-CG1 3.8Å; E849-V853 WeakPolarHBondContact O-CG2 3.31Å; E849-V853 PolarHBondContact O-N 2.84Å; E849-V853 VanDerWaalsContact O-N 3.08Å; V850-V853 PolarHBondContact O-N 3.16Å; V853-C856 PolarHBondContact O-N 2.83Å; V853-L857 WeakPolarHBondContact O-CB 3.43Å; V853-L857 PolarHBondContact O-N 2.98Å
854	C	87.8	Confident	85.7	Confident	10 Å²	10	50.1 Å²	50.1	7%	0.068	24%	0.244	C	C	.	.	H	α-helix	trans	-62.9	-41.2	175.4	-77.9	0	0	0	0	111.9	V850 E851 L852 L857 F858	V850-C854 WeakPolarHBondContact O-CB 3.29Å; V850-C854 PolarHBondContact O-N 3.21Å; V850-C854 PolarHBondContact O-SG 3.46Å; E851-C854 PolarHBondContact O-N 2.99Å; L852-C854 PolarHBondContact O-N 2.88Å; C854-L857 PolarHBondContact O-N 2.89Å; C854-F858 HydrophobicContact CB-CD2 4.49Å; C854-F858 HydrophobicContact CB-CE2 4Å; C854-F858 HydrophobicContact CB-CZ 4.41Å; C854-F858 WeakPolarHBondContact O-CB 3.4Å; C854-F858 WeakPolarHBondContact O-CD2 3.47Å; C854-F858 WeakPolarHBondContact O-CG 3.4Å; C854-F858 PolarHBondContact O-N 3.48Å
855	R	86.6	Confident	85.6	Confident	57 Å²	57	56.9 Å²	56.9	22%	0.215	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-50.2	175.4	-176.7	175.7	174.8	-171.8	-8.7	111.6	N139 S818 E822 E851 L852 L857 F858 F859	N139-R855 PolarHBondContact O-NH1 3.27Å; S818-R855 PolarHBondContact O-NH2 2.94Å; E822-R855 IonicContact OE1-CZ 3.37Å; E822-R855 VanDerWaalsContact OE1-CZ 3.26Å; E822-R855 IonicContact OE1-NE 2.62Å; E822-R855 PolarHBondContact OE1-NE 2.93Å; E822-R855 IonicContact OE1-NH2 2.82Å; E822-R855 PolarHBondContact OE1-NH2 2.7Å; E851-R855 WeakPolarHBondContact O-CB 3.42Å; E851-R855 PolarHBondContact O-N 3.23Å; L852-R855 PolarHBondContact O-N 2.91Å; R855-L857 VanDerWaalsContact C-N 3.32Å; R855-L857 PolarHBondContact O-N 3.36Å; R855-F858 PolarHBondContact O-N 3.29Å; R855-F859 VanDerWaalsContact O-CB 3.32Å; R855-F859 WeakPolarHBondContact O-CB 3.36Å; R855-F859 PolarHBondContact O-N 3.21Å
856	C	88.5	Confident	85.4	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.014	27%	0.27	C	S	.	.	H	α-helix	trans	-59.2	-43.3	175.6	-65.1	0	0	0	0	112	L825 F840 L852 V853 F859 L860	L825-C856 HydrophobicContact CD1-CB 3.84Å; F840-C856 HydrophobicContact CE2-CB 3.61Å; F840-C856 HydrophobicContact CZ-CB 3.48Å; F840-C856 VanDerWaalsContact CZ-CB 3.48Å; L852-C856 PolarHBondContact O-N 3.12Å; L852-C856 PolarHBondContact O-SG 2.79Å; V853-C856 PolarHBondContact O-N 2.83Å; C856-F859 PolarHBondContact O-N 3Å; C856-L860 WeakPolarHBondContact O-CB 3.39Å; C856-L860 VanDerWaalsContact O-CG 3.3Å; C856-L860 WeakPolarHBondContact O-CG 3.49Å; C856-L860 PolarHBondContact O-N 3.15Å
857	L	88.8	Confident	85.3	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-52.4	179.9	174.9	64.5	0	0	0	111.5	L837 F840 I844 V853 C854 R855 F859 L860 L861 L881 T885	L837-L857 HydrophobicContact CD2-CD1 3.4Å; L837-L857 VanDerWaalsContact CD2-CD1 3.4Å; F840-L857 HydrophobicContact CD2-CB 4.04Å; F840-L857 HydrophobicContact CD2-CD1 4.29Å; F840-L857 HydrophobicContact CE2-CB 4.45Å; I844-L857 HydrophobicContact CD1-CD2 4.3Å; V853-L857 WeakPolarHBondContact O-CB 3.43Å; V853-L857 PolarHBondContact O-N 2.98Å; C854-L857 PolarHBondContact O-N 2.89Å; R855-L857 VanDerWaalsContact C-N 3.32Å; R855-L857 PolarHBondContact O-N 3.36Å; L857-F859 VanDerWaalsContact C-N 3.27Å; L857-F859 PolarHBondContact O-N 2.87Å; L857-L860 PolarHBondContact O-N 2.95Å; L857-L861 HydrophobicContact CD1-CD1 3.82Å; L857-L861 HydrophobicContact CD1-CG 4.05Å; L857-L861 HydrophobicContact CG-CD1 3.87Å; L857-L861 HydrophobicContact CG-CG 4.45Å; L857-L861 WeakPolarHBondContact O-CB 3.43Å; L857-L861 VanDerWaalsContact O-CG 3.23Å; L857-L861 WeakPolarHBondContact O-CG 3.48Å; L857-L861 PolarHBondContact O-N 3.18Å; L857-L881 HydrophobicContact CD1-CD1 3.97Å; L857-L881 HydrophobicContact CD1-CD2 4.34Å; L857-L881 HydrophobicContact CD2-CD2 4.19Å; L857-T885 HydrophobicContact CD2-CG2 3.7Å
858	F	87.8	Confident	85.5	Confident	124 Å²	124	51.2 Å²	51.2	54%	0.544	25%	0.25	S	S	.	.	H	α-helix	trans	-63	-37.5	-179.6	-62.9	-35.1	0	0	0	111.8	C854 R855 K862	C854-F858 HydrophobicContact CB-CD2 4.49Å; C854-F858 HydrophobicContact CB-CE2 4Å; C854-F858 HydrophobicContact CB-CZ 4.41Å; C854-F858 WeakPolarHBondContact O-CB 3.4Å; C854-F858 WeakPolarHBondContact O-CD2 3.47Å; C854-F858 WeakPolarHBondContact O-CG 3.4Å; C854-F858 PolarHBondContact O-N 3.48Å; R855-F858 PolarHBondContact O-N 3.29Å; F858-K862 WeakPolarHBondContact O-CB 3.27Å; F858-K862 PolarHBondContact O-N 3.35Å
859	F	86.5	Confident	85.5	Confident	34 Å²	34	53.5 Å²	53.5	15%	0.149	27%	0.266	C	S	.	.	H	α-helix	trans	-64.4	-48.8	176.7	-175.2	-100.5	0	0	0	112.4	E822 L825 L826 R855 C856 L857 L861 K862 I863	E822-F859 HydrophobicContact CB-CD1 4.43Å; E822-F859 HydrophobicContact CB-CD2 4.01Å; E822-F859 HydrophobicContact CB-CE1 4.06Å; E822-F859 HydrophobicContact CB-CE2 3.6Å; E822-F859 HydrophobicContact CB-CG 4.39Å; E822-F859 HydrophobicContact CB-CZ 3.6Å; E822-F859 HydrophobicContact CG-CD1 4.47Å; E822-F859 HydrophobicContact CG-CD2 3.73Å; E822-F859 HydrophobicContact CG-CE2 3.85Å; E822-F859 HydrophobicContact CG-CG 4.04Å; E822-F859 HydrophobicContact CG-CZ 4.25Å; E822-F859 WeakPolarHBondContact O-CE1 3.15Å; E822-F859 WeakPolarHBondContact O-CZ 3.43Å; L825-F859 HydrophobicContact CB-CD1 3.88Å; L825-F859 HydrophobicContact CB-CE1 3.83Å; L825-F859 HydrophobicContact CD1-CD1 4.03Å; L826-F859 HydrophobicContact CB-CE1 4.36Å; L826-F859 HydrophobicContact CB-CZ 4.37Å; R855-F859 VanDerWaalsContact O-CB 3.32Å; R855-F859 WeakPolarHBondContact O-CB 3.36Å; R855-F859 PolarHBondContact O-N 3.21Å; C856-F859 PolarHBondContact O-N 3Å; L857-F859 VanDerWaalsContact C-N 3.27Å; L857-F859 PolarHBondContact O-N 2.87Å; F859-L861 PolarHBondContact O-N 3.43Å; F859-K862 PolarHBondContact O-N 2.8Å; F859-I863 HydrophobicContact CD1-CD1 3.68Å; F859-I863 HydrophobicContact CD2-CD1 4.39Å; F859-I863 HydrophobicContact CE1-CD1 3.07Å; F859-I863 HydrophobicContact CE1-CG1 4.37Å; F859-I863 HydrophobicContact CE2-CD1 3.9Å; F859-I863 HydrophobicContact CG-CD1 4.3Å; F859-I863 HydrophobicContact CZ-CD1 3.23Å; F859-I863 HydrophobicContact CZ-CG1 4.36Å; F859-I863 PolarHBondContact O-N 2.76Å
860	L	87.1	Confident	85.8	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.4	-39.6	177.5	-71.8	168.9	0	0	0	112.6	L825 V833 L836 F840 C856 L857 K862 I863 H864	L825-L860 HydrophobicContact CB-CD2 4.18Å; L825-L860 HydrophobicContact CD1-CG 4.44Å; V833-L860 HydrophobicContact CG1-CD2 4.44Å; V833-L860 HydrophobicContact CG2-CD2 4.26Å; L836-L860 HydrophobicContact CD2-CD1 3.47Å; L836-L860 VanDerWaalsContact CD2-CD1 3.47Å; L836-L860 HydrophobicContact CG-CD1 4.33Å; F840-L860 HydrophobicContact CE2-CD1 3.84Å; F840-L860 HydrophobicContact CZ-CD1 4.48Å; C856-L860 WeakPolarHBondContact O-CB 3.39Å; C856-L860 VanDerWaalsContact O-CG 3.3Å; C856-L860 WeakPolarHBondContact O-CG 3.49Å; C856-L860 PolarHBondContact O-N 3.15Å; L857-L860 PolarHBondContact O-N 2.95Å; L860-K862 VanDerWaalsContact C-N 3.32Å; L860-I863 PolarHBondContact O-N 2.85Å; L860-H864 PolarHBondContact O-N 2.96Å
861	L	87.1	Confident	85.8	Confident	50 Å²	50	56.7 Å²	56.7	26%	0.262	29%	0.293	S	S	.	.	H	α-helix	trans	-63.2	-38.9	175.1	-73.3	173.9	0	0	0	111.5	L857 F859 F865 I868	L857-L861 HydrophobicContact CD1-CD1 3.82Å; L857-L861 HydrophobicContact CD1-CG 4.05Å; L857-L861 HydrophobicContact CG-CD1 3.87Å; L857-L861 HydrophobicContact CG-CG 4.45Å; L857-L861 WeakPolarHBondContact O-CB 3.43Å; L857-L861 VanDerWaalsContact O-CG 3.23Å; L857-L861 WeakPolarHBondContact O-CG 3.48Å; L857-L861 PolarHBondContact O-N 3.18Å; F859-L861 PolarHBondContact O-N 3.43Å; L861-F865 WeakPolarHBondContact O-CA 3.43Å; L861-F865 WeakPolarHBondContact O-CB 3.25Å; L861-F865 PolarHBondContact O-N 3.17Å; L861-I868 HydrophobicContact CD2-CD1 3.94Å
862	K	84.5	Confident	85.8	Confident	140 Å²	140	57.8 Å²	57.8	61%	0.609	30%	0.298	S	S	*	.	H	α-helix	trans	-65.5	-46.3	177.3	-171.3	-177.2	176.1	-168.6	0	111.5	E738 F858 F859 L860	E738-K862 IonicContact OE1-NZ 3.39Å; F858-K862 WeakPolarHBondContact O-CB 3.27Å; F858-K862 PolarHBondContact O-N 3.35Å; F859-K862 PolarHBondContact O-N 2.8Å; L860-K862 VanDerWaalsContact C-N 3.32Å
863	I	82.4	Confident	85.5	Confident	22 Å²	22	63 Å²	63	11%	0.113	32%	0.323	C	S	.	.	H	α-helix	trans	-70.9	-50.8	-177.1	-70.6	167.2	0	0	0	112	L826 F859 L860 F865	L826-I863 HydrophobicContact CB-CD1 4.22Å; L826-I863 HydrophobicContact CD1-CD1 3.71Å; L826-I863 HydrophobicContact CD1-CG1 4.35Å; L826-I863 HydrophobicContact CD1-CG2 4.09Å; F859-I863 HydrophobicContact CD1-CD1 3.68Å; F859-I863 HydrophobicContact CD2-CD1 4.39Å; F859-I863 HydrophobicContact CE1-CD1 3.07Å; F859-I863 HydrophobicContact CE1-CG1 4.37Å; F859-I863 HydrophobicContact CE2-CD1 3.9Å; F859-I863 HydrophobicContact CG-CD1 4.3Å; F859-I863 HydrophobicContact CZ-CD1 3.23Å; F859-I863 HydrophobicContact CZ-CG1 4.36Å; F859-I863 PolarHBondContact O-N 2.76Å; L860-I863 PolarHBondContact O-N 2.85Å; I863-F865 PolarHBondContact O-N 2.82Å
864	H	84.1	Confident	85.1	Confident	20 Å²	20	63.2 Å²	63.2	9%	0.093	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	20.1	-173	-64.2	-75.4	0	0	0	112.4	F830 L860 G866 Q867 I868	F830-H864 HydrophobicContact CD2-CB 4.35Å; F830-H864 AromaticContact CD2-ND1 3.71Å; F830-H864 HydrophobicContact CE2-CB 4.28Å; L860-H864 PolarHBondContact O-N 2.96Å; H864-G866 VanDerWaalsContact C-N 3.3Å; H864-G866 PolarHBondContact O-N 3.38Å; H864-Q867 PolarHBondContact ND1-OE1 2.81Å; H864-Q867 PolarHBondContact O-N 2.91Å; H864-I868 HydrophobicContact CB-CD1 3.78Å; H864-I868 HydrophobicContact CB-CG1 3.92Å; H864-I868 WeakPolarHBondContact O-CB 3.2Å; H864-I868 VanDerWaalsContact O-CG1 3.27Å; H864-I868 WeakPolarHBondContact O-CG1 3.21Å; H864-I868 PolarHBondContact O-N 2.91Å
865	F	84.1	Confident	85	Confident	142 Å²	142	67.3 Å²	67.3	62%	0.623	35%	0.348	S	S	*	.	H	α-helix	trans	-50.5	-47.2	-175.1	-178.4	-104.2	0	0	0	112.7	L861 I863 T869	L861-F865 WeakPolarHBondContact O-CA 3.43Å; L861-F865 WeakPolarHBondContact O-CB 3.25Å; L861-F865 PolarHBondContact O-N 3.17Å; I863-F865 PolarHBondContact O-N 2.82Å; F865-T869 HydrophobicContact CD1-CG2 4.5Å; F865-T869 HydrophobicContact CD2-CG2 4.22Å; F865-T869 HydrophobicContact CE1-CG2 4.15Å; F865-T869 HydrophobicContact CE2-CG2 3.85Å; F865-T869 HydrophobicContact CZ-CG2 3.82Å; F865-T869 WeakPolarHBondContact O-CB 3.44Å; F865-T869 VanDerWaalsContact O-CG2 3.25Å; F865-T869 WeakPolarHBondContact O-CG2 3.32Å; F865-T869 PolarHBondContact O-N 3.34Å; F865-T869 PolarHBondContact O-OG1 3.05Å
866	G	83.2	Confident	84.9	Confident	50 Å²	50	68 Å²	68	52%	0.515	36%	0.362	S	S	.	.	H	α-helix	trans	-66.4	-36.7	178.3	0	0	0	0	0	114.4	H864 T869 S870	H864-G866 VanDerWaalsContact C-N 3.3Å; H864-G866 PolarHBondContact O-N 3.38Å; G866-T869 WeakPolarHBondContact CA-OG1 3.48Å; G866-T869 PolarHBondContact O-OG1 3.12Å; G866-T869 VanDerWaalsContact O-OG1 3.11Å; G866-S870 PolarHBondContact O-N 2.73Å; G866-S870 PolarHBondContact O-OG 3.42Å
867	Q	83.7	Confident	84.7	Confident	91 Å²	91	68.5 Å²	68.5	43%	0.425	37%	0.365	S	S	.	.	H	α-helix	trans	-78.2	-31.8	179.7	-67.3	177.3	-25.1	0	0	112.1	F830 H864 S870	F830-Q867 HydrophobicContact CD2-CB 3.97Å; F830-Q867 HydrophobicContact CE1-CB 4.44Å; F830-Q867 HydrophobicContact CE2-CB 3.48Å; F830-Q867 VanDerWaalsContact CE2-CB 3.48Å; F830-Q867 HydrophobicContact CZ-CB 3.75Å; H864-Q867 PolarHBondContact ND1-OE1 2.81Å; H864-Q867 PolarHBondContact O-N 2.91Å; Q867-S870 WeakPolarHBondContact CA-OG 3.15Å; Q867-S870 PolarHBondContact O-OG 3.24Å
868	I	84.7	Confident	84.6	Confident	10 Å²	10	71 Å²	71	5%	0.051	38%	0.378	C	S	.	.	H	α-helix	trans	-74.3	-43	177.6	-67.8	173.9	0	0	0	110.3	F830 L837 L861 H864 S870 N871 L874 I878	F830-I868 HydrophobicContact CE2-CG1 4.31Å; L837-I868 HydrophobicContact CD1-CD1 4.2Å; L861-I868 HydrophobicContact CD2-CD1 3.94Å; H864-I868 HydrophobicContact CB-CD1 3.78Å; H864-I868 HydrophobicContact CB-CG1 3.92Å; H864-I868 WeakPolarHBondContact O-CB 3.2Å; H864-I868 VanDerWaalsContact O-CG1 3.27Å; H864-I868 WeakPolarHBondContact O-CG1 3.21Å; H864-I868 PolarHBondContact O-N 2.91Å; I868-S870 VanDerWaalsContact C-N 3.28Å; I868-S870 PolarHBondContact O-N 2.92Å; I868-N871 PolarHBondContact O-N 2.77Å; I868-L874 HydrophobicContact CB-CD1 4.39Å; I868-L874 HydrophobicContact CG1-CD1 4.17Å; I868-L874 HydrophobicContact CG2-CD1 4.14Å; I868-I878 HydrophobicContact CG2-CD1 3.39Å
869	T	84.1	Confident	84.7	Confident	93 Å²	93	69.9 Å²	69.9	57%	0.571	38%	0.378	S	S	*	.	H	α-helix	trans	-65.6	-29.3	178.6	47.4	0	0	0	0	113.4	F865 G866	F865-T869 HydrophobicContact CD1-CG2 4.5Å; F865-T869 HydrophobicContact CD2-CG2 4.22Å; F865-T869 HydrophobicContact CE1-CG2 4.15Å; F865-T869 HydrophobicContact CE2-CG2 3.85Å; F865-T869 HydrophobicContact CZ-CG2 3.82Å; F865-T869 WeakPolarHBondContact O-CB 3.44Å; F865-T869 VanDerWaalsContact O-CG2 3.25Å; F865-T869 WeakPolarHBondContact O-CG2 3.32Å; F865-T869 PolarHBondContact O-N 3.34Å; F865-T869 PolarHBondContact O-OG1 3.05Å; G866-T869 WeakPolarHBondContact CA-OG1 3.48Å; G866-T869 PolarHBondContact O-OG1 3.12Å; G866-T869 VanDerWaalsContact O-OG1 3.11Å
870	S	86.7	Confident	84.7	Confident	92 Å²	92	73.3 Å²	73.3	64%	0.643	39%	0.394	S	S	*	.	H	α-helix	trans	-77.3	-19.8	175.8	46.9	0	0	0	0	113.9	G866 Q867 I868	G866-S870 PolarHBondContact O-N 2.73Å; G866-S870 PolarHBondContact O-OG 3.42Å; Q867-S870 WeakPolarHBondContact CA-OG 3.15Å; Q867-S870 PolarHBondContact O-OG 3.24Å; I868-S870 VanDerWaalsContact C-N 3.28Å; I868-S870 PolarHBondContact O-N 2.92Å
871	N	85.2	Confident	84.7	Confident	54 Å²	54	73.6 Å²	73.6	29%	0.289	40%	0.396	S	S	.	.			trans	-95.2	106.6	-177.4	-170.7	-11.9	0	0	0	112.4	I868 M873 L874	I868-N871 PolarHBondContact O-N 2.77Å; N871-M873 VanDerWaalsContact C-N 3.26Å; N871-M873 PolarHBondContact O-N 3.06Å; N871-M873 PolarHBondContact OD1-N 3.38Å; N871-M873 VanDerWaalsContact OD1-N 3.11Å; N871-L874 HydrophobicContact CB-CD1 4.05Å; N871-L874 HydrophobicContact CB-CG 4.3Å; N871-L874 PolarHBondContact O-N 2.83Å
872	Q	83.3	Confident	84.8	Confident	173 Å²	173	77.2 Å²	77.2	81%	0.808	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-26.3	-179	-66.1	-177.4	-5.8	0	0	114.1	L874 V875	Q872-L874 VanDerWaalsContact C-N 3.25Å; Q872-L874 PolarHBondContact O-N 3.47Å; Q872-V875 WeakPolarHBondContact O-CG2 3.15Å; Q872-V875 PolarHBondContact O-N 3.05Å
873	M	80.3	Confident	85	Confident	152 Å²	152	74.2 Å²	74.2	75%	0.749	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-18.5	-178.7	-64	-60.6	-65.3	0	0	113.2	N871	N871-M873 VanDerWaalsContact C-N 3.26Å; N871-M873 PolarHBondContact O-N 3.06Å; N871-M873 PolarHBondContact OD1-N 3.38Å; N871-M873 VanDerWaalsContact OD1-N 3.11Å
874	L	80.8	Confident	85.3	Confident	7 Å²	7	74.8 Å²	74.8	4%	0.037	41%	0.406	C	S	.	.	H	α-helix	trans	-84	-12	179.1	-70.7	177	0	0	0	113	P834 I868 N871 Q872 S876 V877 I878	P834-L874 HydrophobicContact CB-CD2 3.95Å; P834-L874 HydrophobicContact CG-CD1 4.49Å; P834-L874 HydrophobicContact CG-CD2 4.4Å; I868-L874 HydrophobicContact CB-CD1 4.39Å; I868-L874 HydrophobicContact CG1-CD1 4.17Å; I868-L874 HydrophobicContact CG2-CD1 4.14Å; N871-L874 HydrophobicContact CB-CD1 4.05Å; N871-L874 HydrophobicContact CB-CG 4.3Å; N871-L874 PolarHBondContact O-N 2.83Å; Q872-L874 VanDerWaalsContact C-N 3.25Å; Q872-L874 PolarHBondContact O-N 3.47Å; L874-S876 PolarHBondContact O-N 2.92Å; L874-V877 PolarHBondContact O-N 3.24Å; L874-I878 HydrophobicContact CB-CD1 4.2Å; L874-I878 WeakPolarHBondContact O-CD1 3.24Å; L874-I878 VanDerWaalsContact O-CG1 3.24Å; L874-I878 WeakPolarHBondContact O-CG1 3.49Å; L874-I878 PolarHBondContact O-N 3.19Å
875	V	84.8	Confident	85.4	Confident	96 Å²	96	74.5 Å²	74.5	58%	0.582	41%	0.406	S	S	*	.	H	α-helix	trans	-61.2	-44.4	-175.6	177.2	0	0	0	0	111.7	Q872 I878 D879	Q872-V875 WeakPolarHBondContact O-CG2 3.15Å; Q872-V875 PolarHBondContact O-N 3.05Å; V875-I878 PolarHBondContact O-N 3.33Å; V875-D879 PolarHBondContact O-N 2.89Å
876	S	86.3	Confident	85.6	Confident	73 Å²	73	72.6 Å²	72.6	51%	0.51	40%	0.401	S	S	.	.	H	α-helix	trans	-64.2	-42.9	177.6	55.1	0	0	0	0	112.1	L874 I878 D879 E880	L874-S876 PolarHBondContact O-N 2.92Å; S876-I878 VanDerWaalsContact C-N 3.32Å; S876-I878 PolarHBondContact O-N 2.71Å; S876-D879 PolarHBondContact O-N 3.4Å; S876-E880 WeakPolarHBondContact O-CG 3.34Å; S876-E880 PolarHBondContact O-N 2.91Å
877	V	84.2	Confident	85.9	Confident	12 Å²	12	72.7 Å²	72.7	7%	0.073	39%	0.394	C	S	.	.	H	α-helix	trans	-63.7	-38.7	178.6	-177	0	0	0	0	111	L837 K838 L874 L881	L837-V877 HydrophobicContact CB-CG1 4.37Å; K838-V877 HydrophobicContact CG-CG1 4.02Å; K838-V877 HydrophobicContact CG-CG2 4.11Å; L874-V877 PolarHBondContact O-N 3.24Å; V877-L881 HydrophobicContact CG1-CD1 4.06Å; V877-L881 WeakPolarHBondContact O-CB 3.43Å; V877-L881 WeakPolarHBondContact O-CD1 3.45Å; V877-L881 VanDerWaalsContact O-CG 3.24Å; V877-L881 WeakPolarHBondContact O-CG 3.36Å; V877-L881 PolarHBondContact O-N 2.97Å
878	I	86.6	Confident	86.1	Confident	57 Å²	57	70.8 Å²	70.8	29%	0.292	38%	0.384	S	S	.	.	H	α-helix	trans	-69.2	-37.3	177.7	-67.6	164.2	0	0	0	111.5	I868 L874 V875 S876 L881 K882	I868-I878 HydrophobicContact CG2-CD1 3.39Å; L874-I878 HydrophobicContact CB-CD1 4.2Å; L874-I878 WeakPolarHBondContact O-CD1 3.24Å; L874-I878 VanDerWaalsContact O-CG1 3.24Å; L874-I878 WeakPolarHBondContact O-CG1 3.49Å; L874-I878 PolarHBondContact O-N 3.19Å; V875-I878 PolarHBondContact O-N 3.33Å; S876-I878 VanDerWaalsContact C-N 3.32Å; S876-I878 PolarHBondContact O-N 2.71Å; I878-L881 PolarHBondContact O-N 2.99Å; I878-K882 WeakPolarHBondContact O-CB 3.27Å; I878-K882 PolarHBondContact O-N 2.81Å
879	D	88.4	Confident	86.2	Confident	100 Å²	100	73.6 Å²	73.6	54%	0.535	40%	0.402	S	S	.	.	H	α-helix	trans	-68	-41	177.3	-162.4	44.1	0	0	0	111.6	V875 S876 K882 T883	V875-D879 PolarHBondContact O-N 2.89Å; S876-D879 PolarHBondContact O-N 3.4Å; D879-K882 PolarHBondContact O-N 2.92Å; D879-T883 WeakPolarHBondContact O-CG2 3.2Å; D879-T883 PolarHBondContact O-N 3.37Å; D879-T883 PolarHBondContact O-OG1 3.22Å
880	E	86.5	Confident	86.4	Confident	106 Å²	106	71.4 Å²	71.4	50%	0.495	39%	0.39	S	S	.	.	H	α-helix	trans	-59.9	-45.6	169.5	-72.3	178.1	-171.2	0	0	111.8	S876 K882 T883 N884	S876-E880 WeakPolarHBondContact O-CG 3.34Å; S876-E880 PolarHBondContact O-N 2.91Å; E880-K882 PolarHBondContact O-N 2.88Å; E880-T883 PolarHBondContact O-N 3.13Å; E880-T883 PolarHBondContact O-OG1 3.15Å; E880-N884 VanDerWaalsContact O-CB 3.23Å; E880-N884 WeakPolarHBondContact O-CB 3.44Å; E880-N884 VanDerWaalsContact O-CG 3.22Å; E880-N884 PolarHBondContact O-N 2.89Å; E880-N884 PolarHBondContact O-ND2 2.92Å
881	L	87.4	Confident	86.5	Confident	6 Å²	6	72 Å²	72	3%	0.031	38%	0.382	C	S	.	.	H	α-helix	trans	-61.2	-44	176.7	-79.7	165.5	0	0	0	111.5	L837 F840 I844 L857 V877 I878 T885	L837-L881 HydrophobicContact CB-CD1 4.17Å; L837-L881 HydrophobicContact CD2-CD1 4.2Å; F840-L881 HydrophobicContact CB-CD2 4.16Å; I844-L881 HydrophobicContact CD1-CD2 4.04Å; L857-L881 HydrophobicContact CD1-CD1 3.97Å; L857-L881 HydrophobicContact CD1-CD2 4.34Å; L857-L881 HydrophobicContact CD2-CD2 4.19Å; V877-L881 HydrophobicContact CG1-CD1 4.06Å; V877-L881 WeakPolarHBondContact O-CB 3.43Å; V877-L881 WeakPolarHBondContact O-CD1 3.45Å; V877-L881 VanDerWaalsContact O-CG 3.24Å; V877-L881 WeakPolarHBondContact O-CG 3.36Å; V877-L881 PolarHBondContact O-N 2.97Å; I878-L881 PolarHBondContact O-N 2.99Å; L881-T885 VanDerWaalsContact O-CB 3.25Å; L881-T885 WeakPolarHBondContact O-CB 3.41Å; L881-T885 WeakPolarHBondContact O-CG2 3.44Å; L881-T885 PolarHBondContact O-N 3.04Å; L881-T885 PolarHBondContact O-OG1 3.18Å
882	K	89	Confident	86.6	Confident	126 Å²	126	72.1 Å²	72.1	55%	0.548	38%	0.383	S	S	.	.	H	α-helix	trans	-61.8	-47.6	179.7	-180	-175	174.5	-172.5	0	111.5	I878 D879 E880 T885 L886	I878-K882 WeakPolarHBondContact O-CB 3.27Å; I878-K882 PolarHBondContact O-N 2.81Å; D879-K882 PolarHBondContact O-N 2.92Å; E880-K882 PolarHBondContact O-N 2.88Å; K882-T885 WeakPolarHBondContact CA-OG1 3.47Å; K882-T885 PolarHBondContact O-OG1 2.91Å; K882-T885 VanDerWaalsContact O-OG1 3.05Å; K882-L886 HydrophobicContact CG-CD1 3.98Å; K882-L886 WeakPolarHBondContact O-CB 3.33Å; K882-L886 WeakPolarHBondContact O-CD1 3.13Å; K882-L886 VanDerWaalsContact O-CG 3.26Å; K882-L886 WeakPolarHBondContact O-CG 3.27Å; K882-L886 PolarHBondContact O-N 3.22Å; K882-L886 VanDerWaalsContact O-N 3.11Å
883	T	89.9	Confident	86.9	Confident	77 Å²	77	71 Å²	71	47%	0.472	37%	0.371	S	S	.	.	H	α-helix	trans	-66	-45.6	179.9	51.3	0	0	0	0	111.5	D879 E880 S887	D879-T883 WeakPolarHBondContact O-CG2 3.2Å; D879-T883 PolarHBondContact O-N 3.37Å; D879-T883 PolarHBondContact O-OG1 3.22Å; E880-T883 PolarHBondContact O-N 3.13Å; E880-T883 PolarHBondContact O-OG1 3.15Å; T883-S887 WeakPolarHBondContact O-CB 3.31Å; T883-S887 PolarHBondContact O-N 2.68Å; T883-S887 VanDerWaalsContact O-N 3.09Å; T883-S887 PolarHBondContact O-OG 2.8Å
884	N	88.3	Confident	87.5	Confident	33 Å²	33	68 Å²	68	18%	0.176	36%	0.358	C	S	.	.	H	α-helix	trans	-64.7	-48.4	178.9	-72.4	-25.1	0	0	0	112.1	S841 I844 E880 S887 K888	S841-N884 PolarHBondContact OG-ND2 2.74Å; I844-N884 HydrophobicContact CG2-CB 3.92Å; E880-N884 VanDerWaalsContact O-CB 3.23Å; E880-N884 WeakPolarHBondContact O-CB 3.44Å; E880-N884 VanDerWaalsContact O-CG 3.22Å; E880-N884 PolarHBondContact O-N 2.89Å; E880-N884 PolarHBondContact O-ND2 2.92Å; N884-S887 PolarHBondContact O-N 3Å; N884-S887 PolarHBondContact O-OG 3.14Å; N884-K888 WeakPolarHBondContact O-CG 3.17Å; N884-K888 PolarHBondContact O-N 3.09Å; N884-K888 VanDerWaalsContact O-N 3.09Å
885	T	87	Confident	87.9	Confident	15 Å²	15	71.8 Å²	71.8	9%	0.092	38%	0.381	C	S	.	.	H	α-helix	trans	-59.6	-49.8	178.5	49.4	0	0	0	0	111.9	I844 L857 L881 K882 S887 K888 V889	I844-T885 HydrophobicContact CD1-CG2 3.49Å; I844-T885 VanDerWaalsContact CD1-CG2 3.49Å; I844-T885 HydrophobicContact CG2-CG2 4.45Å; L857-T885 HydrophobicContact CD2-CG2 3.7Å; L881-T885 VanDerWaalsContact O-CB 3.25Å; L881-T885 WeakPolarHBondContact O-CB 3.41Å; L881-T885 WeakPolarHBondContact O-CG2 3.44Å; L881-T885 PolarHBondContact O-N 3.04Å; L881-T885 PolarHBondContact O-OG1 3.18Å; K882-T885 WeakPolarHBondContact CA-OG1 3.47Å; K882-T885 PolarHBondContact O-OG1 2.91Å; K882-T885 VanDerWaalsContact O-OG1 3.05Å; T885-S887 VanDerWaalsContact C-N 3.33Å; T885-S887 PolarHBondContact O-N 3.48Å; T885-K888 PolarHBondContact O-N 2.9Å; T885-V889 WeakPolarHBondContact O-CB 3.39Å; T885-V889 VanDerWaalsContact O-CG2 3.25Å; T885-V889 WeakPolarHBondContact O-CG2 3.26Å; T885-V889 PolarHBondContact O-N 3.04Å
886	L	88.1	Confident	88.1	Confident	102 Å²	102	72.1 Å²	72.1	53%	0.534	38%	0.379	S	S	.	.	H	α-helix	trans	-60.8	-42.8	179.9	-74.2	171.4	0	0	0	111.9	K882 K888 C890	K882-L886 HydrophobicContact CG-CD1 3.98Å; K882-L886 WeakPolarHBondContact O-CB 3.33Å; K882-L886 WeakPolarHBondContact O-CD1 3.13Å; K882-L886 VanDerWaalsContact O-CG 3.26Å; K882-L886 WeakPolarHBondContact O-CG 3.27Å; K882-L886 PolarHBondContact O-N 3.22Å; K882-L886 VanDerWaalsContact O-N 3.11Å; L886-K888 PolarHBondContact O-N 3.27Å; L886-C890 VanDerWaalsContact O-CB 3.26Å; L886-C890 WeakPolarHBondContact O-CB 3.48Å; L886-C890 PolarHBondContact O-N 3.28Å; L886-C890 PolarHBondContact O-SG 3.48Å
887	S	88.6	Confident	88.5	Confident	51 Å²	51	70.6 Å²	70.6	36%	0.357	38%	0.375	S	S	.	.	H	α-helix	trans	-62.1	-44	179.2	75.7	0	0	0	0	111.9	T883 N884 T885 Q891	T883-S887 WeakPolarHBondContact O-CB 3.31Å; T883-S887 PolarHBondContact O-N 2.68Å; T883-S887 VanDerWaalsContact O-N 3.09Å; T883-S887 PolarHBondContact O-OG 2.8Å; N884-S887 PolarHBondContact O-N 3Å; N884-S887 PolarHBondContact O-OG 3.14Å; T885-S887 VanDerWaalsContact C-N 3.33Å; T885-S887 PolarHBondContact O-N 3.48Å; S887-Q891 WeakPolarHBondContact O-CG 3.46Å; S887-Q891 PolarHBondContact O-N 3.47Å; S887-Q891 VanDerWaalsContact O-N 3.11Å
888	K	87.5	Confident	89	Confident	52 Å²	52	77.2 Å²	77.2	23%	0.226	40%	0.403	C	S	.	.	H	α-helix	trans	-78.6	-39.6	-175.9	-70.2	-67.4	178.9	-173.6	0	113.3	I844 V850 N884 T885 L886 C890 Q891 I892	I844-K888 HydrophobicContact CG2-CB 4.15Å; I844-K888 HydrophobicContact CG2-CG 3.95Å; I844-K888 WeakPolarHBondContact O-CG 3.34Å; V850-K888 HydrophobicContact CG1-CB 4.47Å; N884-K888 WeakPolarHBondContact O-CG 3.17Å; N884-K888 PolarHBondContact O-N 3.09Å; N884-K888 VanDerWaalsContact O-N 3.09Å; T885-K888 PolarHBondContact O-N 2.9Å; L886-K888 PolarHBondContact O-N 3.27Å; K888-C890 VanDerWaalsContact C-N 3.31Å; K888-C890 PolarHBondContact O-N 2.84Å; K888-Q891 VanDerWaalsContact NZ-OE1 3.08Å; K888-Q891 WeakPolarHBondContact O-CB 3.46Å; K888-Q891 PolarHBondContact O-N 2.84Å; K888-I892 WeakPolarHBondContact O-CG1 3.38Å; K888-I892 PolarHBondContact O-N 2.88Å
889	V	87.1	Confident	89.3	Confident	69 Å²	69	78.2 Å²	78.2	42%	0.418	41%	0.409	S	S	.	.	H	α-helix	trans	-63.9	-39.9	174.1	173.4	0	0	0	0	110.3	T885 I892 R893	T885-V889 WeakPolarHBondContact O-CB 3.39Å; T885-V889 VanDerWaalsContact O-CG2 3.25Å; T885-V889 WeakPolarHBondContact O-CG2 3.26Å; T885-V889 PolarHBondContact O-N 3.04Å; V889-I892 PolarHBondContact O-N 3.09Å; V889-R893 VanDerWaalsContact O-CB 3.26Å; V889-R893 WeakPolarHBondContact O-CB 3.47Å; V889-R893 PolarHBondContact O-N 3.24Å
890	C	88.8	Confident	89.4	Confident	47 Å²	47	76.2 Å²	76.2	32%	0.318	40%	0.403	S	S	.	.	H	α-helix	trans	-60.6	-45.5	172.1	-74.3	0	0	0	0	111.7	L886 K888 I892 R893 D894	L886-C890 VanDerWaalsContact O-CB 3.26Å; L886-C890 WeakPolarHBondContact O-CB 3.48Å; L886-C890 PolarHBondContact O-N 3.28Å; L886-C890 PolarHBondContact O-SG 3.48Å; K888-C890 VanDerWaalsContact C-N 3.31Å; K888-C890 PolarHBondContact O-N 2.84Å; C890-I892 PolarHBondContact O-N 2.93Å; C890-R893 PolarHBondContact O-N 3.32Å; C890-D894 WeakPolarHBondContact O-CB 3.38Å; C890-D894 PolarHBondContact O-N 2.95Å
891	Q	88.8	Confident	89.7	Confident	103 Å²	103	73.7 Å²	73.7	48%	0.481	40%	0.401	S	S	.	.	H	α-helix	trans	-57.1	-47.1	175.8	-75	172.3	9.8	0	0	112	S887 K888 D894 V895	S887-Q891 WeakPolarHBondContact O-CG 3.46Å; S887-Q891 PolarHBondContact O-N 3.47Å; S887-Q891 VanDerWaalsContact O-N 3.11Å; K888-Q891 VanDerWaalsContact NZ-OE1 3.08Å; K888-Q891 WeakPolarHBondContact O-CB 3.46Å; K888-Q891 PolarHBondContact O-N 2.84Å; Q891-D894 PolarHBondContact O-N 2.95Å; Q891-V895 VanDerWaalsContact O-CG2 3.29Å; Q891-V895 WeakPolarHBondContact O-CG2 3.5Å; Q891-V895 PolarHBondContact O-N 2.97Å
892	I	86.3	Confident	89.9	Confident	58 Å²	58	75.2 Å²	75.2	30%	0.297	41%	0.414	S	S	.	.	H	α-helix	trans	-64.8	-45.9	178.8	-67.1	168.7	0	0	0	110.7	V850 K888 V889 C890 D894 V895 L896	V850-I892 HydrophobicContact CB-CD1 3.78Å; V850-I892 HydrophobicContact CG1-CD1 3.91Å; V850-I892 HydrophobicContact CG2-CD1 4.12Å; K888-I892 WeakPolarHBondContact O-CG1 3.38Å; K888-I892 PolarHBondContact O-N 2.88Å; V889-I892 PolarHBondContact O-N 3.09Å; C890-I892 PolarHBondContact O-N 2.93Å; I892-D894 VanDerWaalsContact C-N 3.3Å; I892-D894 PolarHBondContact O-N 3.46Å; I892-V895 PolarHBondContact O-N 3.13Å; I892-L896 HydrophobicContact CG2-CD1 3.84Å; I892-L896 HydrophobicContact CG2-CG 4.27Å; I892-L896 WeakPolarHBondContact O-CB 3.23Å; I892-L896 WeakPolarHBondContact O-CG 3.4Å; I892-L896 PolarHBondContact O-N 2.95Å
893	R	90.3	Very high	90	Very high	148 Å²	148	74.8 Å²	74.8	56%	0.558	42%	0.417	S	S	*	.	H	α-helix	trans	-58.3	-43.4	177.1	-177.1	-161.2	67.2	-167.2	-4.4	111.4	V889 C890 L896 G897	V889-R893 VanDerWaalsContact O-CB 3.26Å; V889-R893 WeakPolarHBondContact O-CB 3.47Å; V889-R893 PolarHBondContact O-N 3.24Å; C890-R893 PolarHBondContact O-N 3.32Å; R893-L896 PolarHBondContact O-N 3.26Å; R893-G897 PolarHBondContact O-N 2.55Å
894	D	92.5	Very high	90	Very high	89 Å²	89	75.5 Å²	75.5	48%	0.476	42%	0.415	S	S	.	.	H	α-helix	trans	-69.6	-37.5	-178.1	-63.5	-11.3	0	0	0	110.8	C890 Q891 I892 G897 F898	C890-D894 WeakPolarHBondContact O-CB 3.38Å; C890-D894 PolarHBondContact O-N 2.95Å; Q891-D894 PolarHBondContact O-N 2.95Å; I892-D894 VanDerWaalsContact C-N 3.3Å; I892-D894 PolarHBondContact O-N 3.46Å; D894-G897 PolarHBondContact O-N 3.17Å; D894-F898 WeakPolarHBondContact O-CB 3.46Å; D894-F898 PolarHBondContact O-N 2.79Å
895	V	90.1	Very high	90.1	Very high	88 Å²	88	80.2 Å²	80.2	53%	0.533	43%	0.434	S	S	.	.	H	α-helix	trans	-64	-46	171.6	171.8	0	0	0	0	111.4	Q891 I892 G897 F898 N899	Q891-V895 VanDerWaalsContact O-CG2 3.29Å; Q891-V895 WeakPolarHBondContact O-CG2 3.5Å; Q891-V895 PolarHBondContact O-N 2.97Å; I892-V895 PolarHBondContact O-N 3.13Å; V895-G897 VanDerWaalsContact C-N 3.34Å; V895-F898 PolarHBondContact O-N 3.17Å; V895-N899 WeakPolarHBondContact O-CB 3.31Å; V895-N899 VanDerWaalsContact O-CG 3.23Å; V895-N899 PolarHBondContact O-N 2.84Å
896	L	89.2	Confident	90.2	Very high	102 Å²	102	83.5 Å²	83.5	53%	0.534	45%	0.451	S	S	.	.	H	α-helix	trans	-63.9	-40.7	176.7	-72.1	173.6	0	0	0	111.7	I892 R893 N899 S900	I892-L896 HydrophobicContact CG2-CD1 3.84Å; I892-L896 HydrophobicContact CG2-CG 4.27Å; I892-L896 WeakPolarHBondContact O-CB 3.23Å; I892-L896 WeakPolarHBondContact O-CG 3.4Å; I892-L896 PolarHBondContact O-N 2.95Å; R893-L896 PolarHBondContact O-N 3.26Å; L896-N899 PolarHBondContact O-N 3.02Å; L896-S900 VanDerWaalsContact O-CB 3.29Å; L896-S900 WeakPolarHBondContact O-CB 3.23Å; L896-S900 PolarHBondContact O-N 2.91Å
897	G	93.7	Very high	90.1	Very high	42 Å²	42	83.7 Å²	83.7	43%	0.433	45%	0.449	S	S	.	.	H	α-helix	trans	-62.1	-44.1	175.8	0	0	0	0	0	111.8	R893 D894 V895 A901	R893-G897 PolarHBondContact O-N 2.55Å; D894-G897 PolarHBondContact O-N 3.17Å; V895-G897 VanDerWaalsContact C-N 3.34Å; G897-A901 WeakPolarHBondContact O-CB 3.4Å; G897-A901 PolarHBondContact O-N 3.41Å
898	F	94.6	Very high	90	Very high	150 Å²	150	89.2 Å²	89.2	66%	0.658	46%	0.462	S	S	*	.	H	α-helix	trans	-62	-47.4	174.2	-175.7	-94.3	0	0	0	111.9	D894 V895 S900 A901 A902	D894-F898 WeakPolarHBondContact O-CB 3.46Å; D894-F898 PolarHBondContact O-N 2.79Å; V895-F898 PolarHBondContact O-N 3.17Å; F898-S900 PolarHBondContact O-N 2.86Å; F898-A901 PolarHBondContact O-N 3.16Å; F898-A902 WeakPolarHBondContact O-CB 3.2Å; F898-A902 PolarHBondContact O-N 3.12Å
899	N	93.6	Very high	89.9	Confident	78 Å²	78	90 Å²	90	42%	0.417	47%	0.466	S	S	.	.	H	α-helix	trans	-63.5	-42.2	179.1	-70.9	-12	0	0	0	112.2	V895 L896 A902 L903	V895-N899 WeakPolarHBondContact O-CB 3.31Å; V895-N899 VanDerWaalsContact O-CG 3.23Å; V895-N899 PolarHBondContact O-N 2.84Å; L896-N899 PolarHBondContact O-N 3.02Å; N899-A902 PolarHBondContact O-N 3.35Å; N899-L903 WeakPolarHBondContact O-CB 3.5Å; N899-L903 WeakPolarHBondContact O-CG 3.26Å; N899-L903 PolarHBondContact O-N 3.09Å
900	S	91.2	Very high	89.6	Confident	58 Å²	58	90.8 Å²	90.8	41%	0.406	47%	0.467	S	S	.	.	H	α-helix	trans	-63	-45.7	176.4	-179.7	0	0	0	0	111.4	L896 F898 A902 L903 Q904	L896-S900 VanDerWaalsContact O-CB 3.29Å; L896-S900 WeakPolarHBondContact O-CB 3.23Å; L896-S900 PolarHBondContact O-N 2.91Å; F898-S900 PolarHBondContact O-N 2.86Å; S900-A902 VanDerWaalsContact C-N 3.33Å; S900-A902 PolarHBondContact O-N 2.97Å; S900-L903 PolarHBondContact O-N 2.87Å; S900-Q904 WeakPolarHBondContact O-CG 3.5Å; S900-Q904 PolarHBondContact O-N 3.25Å
901	A	92	Very high	89.2	Confident	54 Å²	54	92 Å²	92	45%	0.446	47%	0.468	S	S	.	.	H	α-helix	trans	-62.4	-40.2	175.6	0	0	0	0	0	112.1	G897 F898 Q904 F905	G897-A901 WeakPolarHBondContact O-CB 3.4Å; G897-A901 PolarHBondContact O-N 3.41Å; F898-A901 PolarHBondContact O-N 3.16Å; A901-Q904 PolarHBondContact O-N 3.32Å; A901-F905 WeakPolarHBondContact O-CB 3.36Å; A901-F905 PolarHBondContact O-N 3.28Å
902	A	91.8	Very high	88.8	Confident	37 Å²	37	90.8 Å²	90.8	31%	0.306	47%	0.471	S	S	.	.	H	α-helix	trans	-65.3	-42.1	175.7	0	0	0	0	0	112.2	F898 N899 S900 F905 L906	F898-A902 WeakPolarHBondContact O-CB 3.2Å; F898-A902 PolarHBondContact O-N 3.12Å; N899-A902 PolarHBondContact O-N 3.35Å; S900-A902 VanDerWaalsContact C-N 3.33Å; S900-A902 PolarHBondContact O-N 2.97Å; A902-F905 WeakPolarHBondContact O-CB 3.26Å; A902-F905 PolarHBondContact O-N 3.23Å; A902-L906 WeakPolarHBondContact O-CB 3.45Å; A902-L906 WeakPolarHBondContact O-CG 3.37Å; A902-L906 PolarHBondContact O-N 2.97Å
903	L	90.3	Very high	88.6	Confident	117 Å²	117	95 Å²	95	61%	0.613	49%	0.487	S	S	*	.	H	α-helix	trans	-65.4	-41.8	175.9	-75.8	171	0	0	0	112	N899 S900 F905 L906 Q907	N899-L903 WeakPolarHBondContact O-CB 3.5Å; N899-L903 WeakPolarHBondContact O-CG 3.26Å; N899-L903 PolarHBondContact O-N 3.09Å; S900-L903 PolarHBondContact O-N 2.87Å; L903-F905 VanDerWaalsContact C-N 3.3Å; L903-F905 PolarHBondContact O-N 2.87Å; L903-L906 PolarHBondContact O-N 2.97Å; L903-Q907 VanDerWaalsContact O-CB 3.3Å; L903-Q907 WeakPolarHBondContact O-CB 3.14Å; L903-Q907 PolarHBondContact O-N 2.86Å
904	Q	89.9	Confident	87.9	Confident	93 Å²	93	94.3 Å²	94.3	44%	0.435	49%	0.49	S	S	.	.	H	α-helix	trans	-63.6	-38.6	174.3	-72.8	177.2	10.1	0	0	111.7	S900 A901 R908	S900-Q904 WeakPolarHBondContact O-CG 3.5Å; S900-Q904 PolarHBondContact O-N 3.25Å; A901-Q904 PolarHBondContact O-N 3.32Å; Q904-R908 VanDerWaalsContact O-CG 3.32Å; Q904-R908 WeakPolarHBondContact O-CG 3.37Å; Q904-R908 PolarHBondContact O-N 2.94Å
905	F	91.5	Very high	86.1	Confident	132 Å²	132	97.4 Å²	97.4	58%	0.579	51%	0.507	S	S	*	.	H	α-helix	trans	-63.4	-48.3	174.4	178.9	-93.4	0	0	0	111.2	A901 A902 L903 Q907 R908 E909	A901-F905 WeakPolarHBondContact O-CB 3.36Å; A901-F905 PolarHBondContact O-N 3.28Å; A902-F905 WeakPolarHBondContact O-CB 3.26Å; A902-F905 PolarHBondContact O-N 3.23Å; L903-F905 VanDerWaalsContact C-N 3.3Å; L903-F905 PolarHBondContact O-N 2.87Å; F905-Q907 VanDerWaalsContact C-N 3.33Å; F905-Q907 PolarHBondContact O-N 3.25Å; F905-R908 PolarHBondContact O-N 2.88Å; F905-E909 WeakPolarHBondContact O-CB 3.07Å; F905-E909 PolarHBondContact O-N 3.26Å
906	L	88.3	Confident	84.4	Confident	84 Å²	84	96.7 Å²	96.7	44%	0.44	50%	0.503	S	S	.	.	H	α-helix	trans	-61.9	-40.5	176.5	-75.4	169.4	0	0	0	112.1	A902 L903 E909 I910	A902-L906 WeakPolarHBondContact O-CB 3.45Å; A902-L906 WeakPolarHBondContact O-CG 3.37Å; A902-L906 PolarHBondContact O-N 2.97Å; L903-L906 PolarHBondContact O-N 2.97Å; L906-E909 PolarHBondContact O-N 2.85Å; L906-I910 WeakPolarHBondContact O-CB 3.45Å; L906-I910 VanDerWaalsContact O-CG1 3.23Å; L906-I910 WeakPolarHBondContact O-CG1 3.34Å; L906-I910 PolarHBondContact O-N 3.25Å
907	Q	85.6	Confident	82.4	Confident	106 Å²	106	98.9 Å²	98.9	50%	0.495	51%	0.512	S	S	.	.	H	α-helix	trans	-58.6	-50.7	174.9	-179.7	-177.7	-6	0	0	110.4	L903 F905 E909 I910 E911	L903-Q907 VanDerWaalsContact O-CB 3.3Å; L903-Q907 WeakPolarHBondContact O-CB 3.14Å; L903-Q907 PolarHBondContact O-N 2.86Å; F905-Q907 VanDerWaalsContact C-N 3.33Å; F905-Q907 PolarHBondContact O-N 3.25Å; Q907-E909 VanDerWaalsContact C-N 3.27Å; Q907-E909 PolarHBondContact O-N 3.31Å; Q907-I910 PolarHBondContact O-N 3.05Å; Q907-E911 HydrophobicContact CG-CG 4.39Å; Q907-E911 VanDerWaalsContact CG-OE1 3.31Å; Q907-E911 WeakPolarHBondContact CG-OE1 3.32Å; Q907-E911 PolarHBondContact NE2-OE1 3.45Å; Q907-E911 WeakPolarHBondContact O-CB 3.33Å; Q907-E911 VanDerWaalsContact O-CG 3.23Å; Q907-E911 WeakPolarHBondContact O-CG 3.43Å; Q907-E911 PolarHBondContact O-N 2.8Å
908	R	85.9	Confident	80.3	Confident	166 Å²	166	103.4 Å²	103.4	63%	0.626	52%	0.52	S	S	*	.	H	α-helix	trans	-60.7	-37.5	176.5	-71.8	175	-173	168	5.6	112.2	Q904 F905 S912	Q904-R908 VanDerWaalsContact O-CG 3.32Å; Q904-R908 WeakPolarHBondContact O-CG 3.37Å; Q904-R908 PolarHBondContact O-N 2.94Å; F905-R908 PolarHBondContact O-N 2.88Å; R908-S912 VanDerWaalsContact O-CB 3.31Å; R908-S912 WeakPolarHBondContact O-CB 3.38Å; R908-S912 PolarHBondContact O-N 2.6Å; R908-S912 PolarHBondContact O-OG 3.08Å
909	E	85.7	Confident	78	Confident	68 Å²	68	103.9 Å²	103.9	32%	0.318	52%	0.522	S	S	.	.	H	α-helix	trans	-68.8	-41.2	178.5	-158.8	-170.4	156.4	0	0	111.5	F905 L906 Q907 S912 K913	F905-E909 WeakPolarHBondContact O-CB 3.07Å; F905-E909 PolarHBondContact O-N 3.26Å; L906-E909 PolarHBondContact O-N 2.85Å; Q907-E909 VanDerWaalsContact C-N 3.27Å; Q907-E909 PolarHBondContact O-N 3.31Å; E909-S912 WeakPolarHBondContact CA-OG 3.32Å; E909-S912 PolarHBondContact O-N 2.99Å; E909-S912 PolarHBondContact O-OG 3.31Å; E909-K913 WeakPolarHBondContact O-CB 3.37Å; E909-K913 WeakPolarHBondContact O-CG 3.46Å; E909-K913 PolarHBondContact O-N 3.23Å; E909-K913 VanDerWaalsContact OE1-CE 3.26Å; E909-K913 WeakPolarHBondContact OE1-CE 3.46Å; E909-K913 IonicContact OE1-NZ 2.66Å; E909-K913 PolarHBondContact OE1-NZ 2.89Å
910	I	81.4	Confident	75.9	Confident	87 Å²	87	103.6 Å²	103.6	45%	0.446	53%	0.531	S	S	.	.	H	α-helix	trans	-66.1	-46.1	175.5	-68.8	164.6	0	0	0	110.1	L906 Q907 S912 K913 E914	L906-I910 WeakPolarHBondContact O-CB 3.45Å; L906-I910 VanDerWaalsContact O-CG1 3.23Å; L906-I910 WeakPolarHBondContact O-CG1 3.34Å; L906-I910 PolarHBondContact O-N 3.25Å; Q907-I910 PolarHBondContact O-N 3.05Å; I910-S912 PolarHBondContact O-N 3.21Å; I910-K913 PolarHBondContact O-N 3.27Å; I910-E914 HydrophobicContact CG2-CG 4.36Å; I910-E914 PolarHBondContact O-N 2.83Å
911	E	79.6	Confident	73.9	Confident	72 Å²	72	105.7 Å²	105.7	34%	0.336	54%	0.537	S	S	.	.	H	α-helix	trans	-57.8	-37.1	174.7	-73.8	170	178.2	0	0	111.5	Q907	Q907-E911 HydrophobicContact CG-CG 4.39Å; Q907-E911 VanDerWaalsContact CG-OE1 3.31Å; Q907-E911 WeakPolarHBondContact CG-OE1 3.32Å; Q907-E911 PolarHBondContact NE2-OE1 3.45Å; Q907-E911 WeakPolarHBondContact O-CB 3.33Å; Q907-E911 VanDerWaalsContact O-CG 3.23Å; Q907-E911 WeakPolarHBondContact O-CG 3.43Å; Q907-E911 PolarHBondContact O-N 2.8Å
912	S	80.8	Confident	71.8	Confident	78 Å²	78	106.3 Å²	106.3	55%	0.545	54%	0.542	S	S	.	.	H	α-helix	trans	-73.9	-27.6	175.4	77.2	0	0	0	0	114.1	R908 E909 I910	R908-S912 VanDerWaalsContact O-CB 3.31Å; R908-S912 WeakPolarHBondContact O-CB 3.38Å; R908-S912 PolarHBondContact O-N 2.6Å; R908-S912 PolarHBondContact O-OG 3.08Å; E909-S912 WeakPolarHBondContact CA-OG 3.32Å; E909-S912 PolarHBondContact O-N 2.99Å; E909-S912 PolarHBondContact O-OG 3.31Å; I910-S912 PolarHBondContact O-N 3.21Å
913	K	82	Confident	69.7	Low	146 Å²	146	108.8 Å²	108.8	64%	0.635	55%	0.554	S	S	*	*	H	α-helix	trans	-84.5	-32.5	-179.3	-80.1	176.2	-175.6	166.4	0	113.1	E909 I910	E909-K913 WeakPolarHBondContact O-CB 3.37Å; E909-K913 WeakPolarHBondContact O-CG 3.46Å; E909-K913 PolarHBondContact O-N 3.23Å; E909-K913 VanDerWaalsContact OE1-CE 3.26Å; E909-K913 WeakPolarHBondContact OE1-CE 3.46Å; E909-K913 IonicContact OE1-NZ 2.66Å; E909-K913 PolarHBondContact OE1-NZ 2.89Å; I910-K913 PolarHBondContact O-N 3.27Å
914	E	75.8	Confident	67.6	Low	133 Å²	133	104.8 Å²	104.8	62%	0.621	54%	0.541	S	S	*	.	H	α-helix	trans	-86.4	-7.1	-178.1	-68.6	-171.3	164.5	0	0	113.2	I910 V916	I910-E914 HydrophobicContact CG2-CG 4.36Å; I910-E914 PolarHBondContact O-N 2.83Å; E914-V916 HydrophobicContact CB-CG2 4.47Å; E914-V916 VanDerWaalsContact O-CG2 3.26Å; E914-V916 WeakPolarHBondContact O-CG2 3.39Å; E914-V916 PolarHBondContact O-N 2.79Å
915	D	56	Low	65.7	Low	155 Å²	155	105.9 Å²	105.9	83%	0.829	55%	0.546	S	S	*	.			trans	51.7	17.9	-176.4	-97.9	-12.5	0	0	0	113.4
916	V	52.9	Low	63.6	Low	72 Å²	72	104.1 Å²	104.1	44%	0.436	54%	0.542	S	S	.	.			trans	-106.9	96.4	175.8	-164	0	0	0	0	108.8	E914 F918	E914-V916 HydrophobicContact CB-CG2 4.47Å; E914-V916 VanDerWaalsContact O-CG2 3.26Å; E914-V916 WeakPolarHBondContact O-CG2 3.39Å; E914-V916 PolarHBondContact O-N 2.79Å; V916-F918 VanDerWaalsContact C-N 3.25Å; V916-F918 HydrophobicContact CB-CD2 4Å; V916-F918 HydrophobicContact CB-CE2 4.26Å; V916-F918 HydrophobicContact CG1-CD2 3.33Å; V916-F918 HydrophobicContact CG1-CE2 3.41Å; V916-F918 VanDerWaalsContact CG1-CE2 3.41Å; V916-F918 HydrophobicContact CG1-CG 4.43Å; V916-F918 PolarHBondContact O-N 3.15Å
917	M	47.4	Very low	61.8	Low	148 Å²	148	106 Å²	106	73%	0.729	55%	0.549	S	S	*	.			trans	-64.7	82.4	169.8	-70	-95.1	-81.9	0	0	110	F919 D921	M917-F919 PolarHBondContact O-N 3.2Å; M917-F919 VanDerWaalsContact O-N 3.09Å; M917-D921 HydrophobicContact CE-CB 4.31Å
918	F	50.1	Low	60.3	Low	137 Å²	137	106.7 Å²	106.7	60%	0.601	55%	0.552	S	S	*	*			trans	-74.9	97.5	174.8	-101.8	-90.4	0	0	0	110.4	V916 A920	V916-F918 VanDerWaalsContact C-N 3.25Å; V916-F918 HydrophobicContact CB-CD2 4Å; V916-F918 HydrophobicContact CB-CE2 4.26Å; V916-F918 HydrophobicContact CG1-CD2 3.33Å; V916-F918 HydrophobicContact CG1-CE2 3.41Å; V916-F918 VanDerWaalsContact CG1-CE2 3.41Å; V916-F918 HydrophobicContact CG1-CG 4.43Å; V916-F918 PolarHBondContact O-N 3.15Å; F918-A920 VanDerWaalsContact C-N 3.35Å; F918-A920 PolarHBondContact O-N 3.48Å
919	F	45.7	Very low	59.1	Low	161 Å²	161	106.4 Å²	106.4	71%	0.706	56%	0.555	S	S	*	*	S	Bend	trans	60.6	-22.8	150.7	-69.3	-91.4	0	0	0	122.4	M917	M917-F919 PolarHBondContact O-N 3.2Å; M917-F919 VanDerWaalsContact O-N 3.09Å
920	A	50.8	Low	57.9	Low	72 Å²	72	109 Å²	109	60%	0.595	57%	0.565	S	S	*	*	H	α-helix	trans	-77	-37	-174.6	0	0	0	0	0	114	F918 T923	F918-A920 VanDerWaalsContact C-N 3.35Å; F918-A920 PolarHBondContact O-N 3.48Å; A920-T923 PolarHBondContact O-OG1 3.5Å
921	D	47.9	Very low	57.1	Low	102 Å²	102	111.6 Å²	111.6	55%	0.545	57%	0.573	S	S	.	*	H	α-helix	trans	-87.5	-18.7	-175.5	-99.1	-2.9	0	0	0	114.4	M917 T923 Q925	M917-D921 HydrophobicContact CE-CB 4.31Å; D921-T923 VanDerWaalsContact C-N 3.33Å; D921-T923 PolarHBondContact O-N 2.82Å; D921-Q925 WeakPolarHBondContact O-CB 3.23Å; D921-Q925 WeakPolarHBondContact O-CG 3.33Å; D921-Q925 PolarHBondContact O-N 2.97Å
922	A	48.2	Very low	56.4	Low	67 Å²	67	116.6 Å²	116.6	55%	0.554	59%	0.589	S	S	*	*	H	α-helix	trans	-69.3	-32.5	176.6	0	0	0	0	0	112	L926	A922-L926 WeakPolarHBondContact O-CB 3.39Å; A922-L926 PolarHBondContact O-N 3.03Å
923	T	47.4	Very low	55.5	Low	88 Å²	88	120.9 Å²	120.9	54%	0.54	59%	0.593	S	S	.	*	H	α-helix	trans	-75.7	-42.3	175.5	47.1	0	0	0	0	111.2	A920 D921 L926 E927	A920-T923 PolarHBondContact O-OG1 3.5Å; D921-T923 VanDerWaalsContact C-N 3.33Å; D921-T923 PolarHBondContact O-N 2.82Å; T923-L926 PolarHBondContact O-N 2.79Å; T923-E927 WeakPolarHBondContact O-CB 3.36Å; T923-E927 WeakPolarHBondContact O-CG 3.45Å; T923-E927 PolarHBondContact O-N 2.86Å
924	G	46.8	Very low	54.7	Low	33 Å²	33	122.6 Å²	122.6	34%	0.34	60%	0.596	S	S	.	*	H	α-helix	trans	-59.4	-48	174.6	0	0	0	0	0	112.9	L926 E927 E928	G924-L926 VanDerWaalsContact C-N 3.3Å; G924-L926 PolarHBondContact O-N 2.82Å; G924-E927 PolarHBondContact O-N 3.38Å; G924-E928 PolarHBondContact O-N 2.95Å
925	Q	49.7	Very low	54	Low	117 Å²	117	123.7 Å²	123.7	55%	0.547	60%	0.598	S	S	.	*	H	α-helix	trans	-67.3	-29.3	177	-70.4	-174.2	13.5	0	0	113.2	D921 K929	D921-Q925 WeakPolarHBondContact O-CB 3.23Å; D921-Q925 WeakPolarHBondContact O-CG 3.33Å; D921-Q925 PolarHBondContact O-N 2.97Å; Q925-K929 WeakPolarHBondContact O-CB 3.47Å; Q925-K929 PolarHBondContact O-N 3.47Å
926	L	47.2	Very low	54.1	Low	94 Å²	94	125.4 Å²	125.4	49%	0.492	59%	0.593	S	S	.	*	H	α-helix	trans	-78.8	-33	177.8	-159.1	141.5	0	0	0	111.7	A922 T923 G924 K930	A922-L926 WeakPolarHBondContact O-CB 3.39Å; A922-L926 PolarHBondContact O-N 3.03Å; T923-L926 PolarHBondContact O-N 2.79Å; G924-L926 VanDerWaalsContact C-N 3.3Å; G924-L926 PolarHBondContact O-N 2.82Å; L926-K930 HydrophobicContact CD2-CD 3.99Å; L926-K930 HydrophobicContact CD2-CG 4.45Å; L926-K930 WeakPolarHBondContact O-CB 3.14Å; L926-K930 VanDerWaalsContact O-CG 3.3Å; L926-K930 WeakPolarHBondContact O-CG 3.41Å; L926-K930 PolarHBondContact O-N 2.85Å
927	E	50.1	Low	54.3	Low	125 Å²	125	126.4 Å²	126.4	58%	0.584	59%	0.593	S	S	*	*	H	α-helix	trans	-68.5	-41	168.9	-76.5	-165.4	166	0	0	112.4	T923 G924 K930 K931	T923-E927 WeakPolarHBondContact O-CB 3.36Å; T923-E927 WeakPolarHBondContact O-CG 3.45Å; T923-E927 PolarHBondContact O-N 2.86Å; G924-E927 PolarHBondContact O-N 3.38Å; E927-K930 CarbonylContact O-C 3.37Å; E927-K930 PolarHBondContact O-N 3.2Å; E927-K931 WeakPolarHBondContact O-CB 3.44Å; E927-K931 PolarHBondContact O-N 3.11Å
928	E	55.2	Low	54.5	Low	120 Å²	120	127.7 Å²	127.7	56%	0.561	59%	0.59	S	S	*	*	H	α-helix	trans	-64.9	-42.1	172.2	-77.9	-156.2	141.2	0	0	112	G924 K930 K931 R932	G924-E928 PolarHBondContact O-N 2.95Å; E928-K930 VanDerWaalsContact C-N 3.33Å; E928-K930 PolarHBondContact O-N 2.74Å; E928-K931 PolarHBondContact O-N 3.14Å; E928-R932 WeakPolarHBondContact O-CB 3.42Å; E928-R932 WeakPolarHBondContact O-CG 3.33Å; E928-R932 PolarHBondContact O-N 2.88Å
929	K	61.5	Low	54.8	Low	159 Å²	159	124.9 Å²	124.9	69%	0.691	58%	0.584	S	S	*	*	H	α-helix	trans	-61.3	-40.7	171.8	-96.5	179.1	175.5	169.7	0	111.7	Q925 R932 R933	Q925-K929 WeakPolarHBondContact O-CB 3.47Å; Q925-K929 PolarHBondContact O-N 3.47Å; K929-R932 PolarHBondContact O-N 3.03Å; K929-R933 VanDerWaalsContact O-CB 3.23Å; K929-R933 WeakPolarHBondContact O-CB 3.39Å; K929-R933 PolarHBondContact O-N 3.08Å
930	K	59.7	Low	55.4	Low	123 Å²	123	122.2 Å²	122.2	54%	0.535	58%	0.581	S	S	.	*	H	α-helix	trans	-67.1	-40.3	175.3	-81.6	176.6	176.7	173.4	0	112.1	L926 E927 E928 R933 R934	L926-K930 HydrophobicContact CD2-CD 3.99Å; L926-K930 HydrophobicContact CD2-CG 4.45Å; L926-K930 WeakPolarHBondContact O-CB 3.14Å; L926-K930 VanDerWaalsContact O-CG 3.3Å; L926-K930 WeakPolarHBondContact O-CG 3.41Å; L926-K930 PolarHBondContact O-N 2.85Å; E927-K930 CarbonylContact O-C 3.37Å; E927-K930 PolarHBondContact O-N 3.2Å; E928-K930 VanDerWaalsContact C-N 3.33Å; E928-K930 PolarHBondContact O-N 2.74Å; K930-R933 PolarHBondContact O-N 2.78Å; K930-R934 WeakPolarHBondContact O-CB 3.17Å; K930-R934 WeakPolarHBondContact O-CG 3.48Å; K930-R934 PolarHBondContact O-N 3.35Å
931	K	64.8	Low	55.3	Low	142 Å²	142	125.2 Å²	125.2	62%	0.617	59%	0.586	S	S	*	*	H	α-helix	trans	-63	-44	173.3	-85.5	-180	176.9	170.8	0	111.3	E927 E928 R934 K935	E927-K931 WeakPolarHBondContact O-CB 3.44Å; E927-K931 PolarHBondContact O-N 3.11Å; E928-K931 PolarHBondContact O-N 3.14Å; K931-R934 PolarHBondContact O-N 2.9Å; K931-K935 WeakPolarHBondContact O-CB 3.46Å; K931-K935 WeakPolarHBondContact O-CG 3.43Å; K931-K935 PolarHBondContact O-N 2.89Å
932	R	64.4	Low	55.3	Low	177 Å²	177	125.6 Å²	125.6	67%	0.668	59%	0.592	S	S	*	*	H	α-helix	trans	-65	-39.4	175.4	-75.7	-178.6	175.9	-166	0.1	112	E928 K929 K935 R936	E928-R932 WeakPolarHBondContact O-CB 3.42Å; E928-R932 WeakPolarHBondContact O-CG 3.33Å; E928-R932 PolarHBondContact O-N 2.88Å; K929-R932 PolarHBondContact O-N 3.03Å; R932-K935 PolarHBondContact O-N 2.88Å; R932-R936 WeakPolarHBondContact O-CG 3.18Å; R932-R936 PolarHBondContact O-N 2.87Å
933	R	62.7	Low	55.3	Low	167 Å²	167	129.6 Å²	129.6	63%	0.63	60%	0.603	S	S	*	*	H	α-helix	trans	-67.4	-44.2	176.2	-170.8	175.4	172.6	169.9	3.9	112	K929 K930 K935 R936 E937	K929-R933 VanDerWaalsContact O-CB 3.23Å; K929-R933 WeakPolarHBondContact O-CB 3.39Å; K929-R933 PolarHBondContact O-N 3.08Å; K930-R933 PolarHBondContact O-N 2.78Å; R933-K935 VanDerWaalsContact C-N 3.34Å; R933-K935 PolarHBondContact O-N 3.09Å; R933-R936 PolarHBondContact O-N 3.37Å; R933-R936 VanDerWaalsContact O-N 3.17Å; R933-E937 WeakPolarHBondContact CG-OE1 3.29Å; R933-E937 IonicContact CZ-OE1 3.88Å; R933-E937 IonicContact NE-OE1 3.01Å; R933-E937 PolarHBondContact NE-OE1 3.39Å; R933-E937 IonicContact NH2-OE1 3.9Å; R933-E937 WeakPolarHBondContact O-CB 3.48Å; R933-E937 WeakPolarHBondContact O-CG 3.44Å; R933-E937 PolarHBondContact O-N 2.88Å
934	R	64.6	Low	54.8	Low	183 Å²	183	132.1 Å²	132.1	69%	0.691	63%	0.633	S	S	*	*	H	α-helix	trans	-62.1	-37.6	173.2	-77.1	178.9	175	-179.2	-1.9	112.7	K930 K931 R938	K930-R934 WeakPolarHBondContact O-CB 3.17Å; K930-R934 WeakPolarHBondContact O-CG 3.48Å; K930-R934 PolarHBondContact O-N 3.35Å; K931-R934 PolarHBondContact O-N 2.9Å; R934-R938 WeakPolarHBondContact O-CB 3.25Å; R934-R938 PolarHBondContact O-N 3.45Å
935	K	61.7	Low	55.2	Low	155 Å²	155	137.1 Å²	137.1	67%	0.674	65%	0.647	S	S	*	*	H	α-helix	trans	-64.4	-43.2	172.5	-81	-174.7	176	-174.9	0	111.6	K931 R932 R933 R938 T939	K931-K935 WeakPolarHBondContact O-CB 3.46Å; K931-K935 WeakPolarHBondContact O-CG 3.43Å; K931-K935 PolarHBondContact O-N 2.89Å; R932-K935 PolarHBondContact O-N 2.88Å; R933-K935 VanDerWaalsContact C-N 3.34Å; R933-K935 PolarHBondContact O-N 3.09Å; K935-R938 PolarHBondContact O-N 2.85Å; K935-T939 WeakPolarHBondContact O-CG2 3.08Å; K935-T939 PolarHBondContact O-N 3.28Å; K935-T939 PolarHBondContact O-OG1 2.62Å
936	R	58	Low	55.5	Low	192 Å²	192	138.2 Å²	138.2	73%	0.725	65%	0.652	S	S	*	*	H	α-helix	trans	-65.7	-42.4	176.3	-77.9	-178.8	176.6	-177	-1.8	112.9	R932 R933 R938 T939 V940	R932-R936 WeakPolarHBondContact O-CG 3.18Å; R932-R936 PolarHBondContact O-N 2.87Å; R933-R936 PolarHBondContact O-N 3.37Å; R933-R936 VanDerWaalsContact O-N 3.17Å; R936-R938 VanDerWaalsContact C-N 3.32Å; R936-R938 PolarHBondContact O-N 2.92Å; R936-T939 VanDerWaalsContact CA-OG1 3.31Å; R936-T939 WeakPolarHBondContact CA-OG1 3.19Å; R936-T939 PolarHBondContact O-N 2.79Å; R936-T939 PolarHBondContact O-OG1 2.95Å; R936-V940 VanDerWaalsContact O-CG2 3.29Å; R936-V940 WeakPolarHBondContact O-CG2 3.04Å; R936-V940 PolarHBondContact O-N 3.08Å
937	E	57.6	Low	56	Low	92 Å²	92	140.6 Å²	140.6	43%	0.43	66%	0.661	S	S	.	*	H	α-helix	trans	-65.2	-36.9	176.7	-74	167.2	-176.6	0	0	111.1	R933 V940 L941	R933-E937 WeakPolarHBondContact CG-OE1 3.29Å; R933-E937 IonicContact CZ-OE1 3.88Å; R933-E937 IonicContact NE-OE1 3.01Å; R933-E937 PolarHBondContact NE-OE1 3.39Å; R933-E937 IonicContact NH2-OE1 3.9Å; R933-E937 WeakPolarHBondContact O-CB 3.48Å; R933-E937 WeakPolarHBondContact O-CG 3.44Å; R933-E937 PolarHBondContact O-N 2.88Å; E937-V940 PolarHBondContact O-N 3.27Å; E937-L941 PolarHBondContact O-N 3.47Å; E937-L941 VanDerWaalsContact O-N 3.15Å
938	R	51.4	Low	56.3	Low	176 Å²	176	141.5 Å²	141.5	66%	0.664	67%	0.666	S	S	*	*	H	α-helix	trans	-64.1	-42.2	170.8	-91.8	-177	168.1	-178.8	-5	113.5	R934 K935 R936 V940 L941 T942	R934-R938 WeakPolarHBondContact O-CB 3.25Å; R934-R938 PolarHBondContact O-N 3.45Å; K935-R938 PolarHBondContact O-N 2.85Å; R936-R938 VanDerWaalsContact C-N 3.32Å; R936-R938 PolarHBondContact O-N 2.92Å; R938-V940 VanDerWaalsContact C-N 3.28Å; R938-V940 PolarHBondContact O-N 3.01Å; R938-L941 PolarHBondContact O-N 3.22Å; R938-T942 PolarHBondContact O-N 2.74Å; R938-T942 PolarHBondContact O-OG1 2.95Å
939	T	55.6	Low	56.4	Low	78 Å²	78	142.9 Å²	142.9	48%	0.479	67%	0.673	S	S	.	*	H	α-helix	trans	-68.7	-27.6	178.6	49.3	0	0	0	0	113.1	K935 R936 T942	K935-T939 WeakPolarHBondContact O-CG2 3.08Å; K935-T939 PolarHBondContact O-N 3.28Å; K935-T939 PolarHBondContact O-OG1 2.62Å; R936-T939 VanDerWaalsContact CA-OG1 3.31Å; R936-T939 WeakPolarHBondContact CA-OG1 3.19Å; R936-T939 PolarHBondContact O-N 2.79Å; R936-T939 PolarHBondContact O-OG1 2.95Å; T939-T942 WeakPolarHBondContact CA-OG1 3.46Å; T939-T942 PolarHBondContact O-OG1 3.27Å
940	V	58.2	Low	56	Low	104 Å²	104	141.8 Å²	141.8	63%	0.63	67%	0.671	S	S	*	*	H	α-helix	trans	-76.8	-32.8	176.2	172	0	0	0	0	111.4	R936 E937 R938 T942 I943	R936-V940 VanDerWaalsContact O-CG2 3.29Å; R936-V940 WeakPolarHBondContact O-CG2 3.04Å; R936-V940 PolarHBondContact O-N 3.08Å; E937-V940 PolarHBondContact O-N 3.27Å; R938-V940 VanDerWaalsContact C-N 3.28Å; R938-V940 PolarHBondContact O-N 3.01Å; V940-T942 VanDerWaalsContact C-N 3.31Å; V940-T942 PolarHBondContact O-N 3.28Å; V940-I943 PolarHBondContact O-N 2.83Å
941	L	49.3	Very low	55.8	Low	136 Å²	136	143.1 Å²	143.1	71%	0.712	68%	0.681	S	S	*	*	H	α-helix	trans	-75.6	-14	175.2	-81.7	158.8	0	0	0	114.3	E937 R938	E937-L941 PolarHBondContact O-N 3.47Å; E937-L941 VanDerWaalsContact O-N 3.15Å; R938-L941 PolarHBondContact O-N 3.22Å
942	T	46.9	Very low	55.1	Low	110 Å²	110	143.2 Å²	143.2	68%	0.675	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-2.2	174.7	43.6	0	0	0	0	113.9	R938 T939 V940	R938-T942 PolarHBondContact O-N 2.74Å; R938-T942 PolarHBondContact O-OG1 2.95Å; T939-T942 WeakPolarHBondContact CA-OG1 3.46Å; T939-T942 PolarHBondContact O-OG1 3.27Å; V940-T942 VanDerWaalsContact C-N 3.31Å; V940-T942 PolarHBondContact O-N 3.28Å
943	I	48.1	Very low	54.3	Low	151 Å²	151	140.4 Å²	140.4	77%	0.774	69%	0.687	S	S	*	*			trans	-117.9	2	-177.8	-63.2	173.4	0	0	0	111.9	V940	V940-I943 PolarHBondContact O-N 2.83Å
944	A	37.8	Very low	53.6	Low	141 Å²	141	138 Å²	138	100%	1.165	69%	0.693	S	S	*	*			trans	-111.5	0	164.8	0	0	0	0	0	108.6

Retrieved 944 of 944 residues in 1050.4 ms (Link to these results)

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