A0A087YK02_POEFO Loading...

Bardet-Biedl syndrome 9

AlphaFold DB , UniProt , Accession A0A087YK02, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 892 aa.

						>A0A087YK02_POEFO|A0A087YK02
MSLFKARDWWSAALGEGEEFDQGCLCVGDVDNSGTGHDKIVVGSYMGMLRIFSPNANKLSDGGMADAQLLEVQLQNAIIQVEVGKFVSCSDLLHLAVLHPRKLSVYSVTGTSGNVEHGDQYQLKLVYEHNQHNLQRTACNMTYGTFGGVTGHHSLCIQSMDGMLMFFEQDSYSFGRFLPGFLLPGPLVYNPRTDSFLTVSSARQLEGYKYETLAVATDAESRQDSDLLPKTGGKRLTPDWTFVLGEQALDISVPSFSHSSSSILVLGERNLFCLRDNGQIRFMKKLEFNPSCFLPYISVKDGTTNLLLGNHNNMLLVYQDVTLKWAAQLPLVPVAVRVANLPELKGVVVSLSSDGHLLCSYMGTDPSFFSTPKVDAREADYEQIDAEMKKLQKFIREATRTQDILPKSDAVDDLSVKATVSSCLDTPSQALIQDIDGLPVPSVTVQVKVKANSVLQSAKLSICVQPPLAVTQDQFVLEPMGVGSTKEVAFSAFLNGQYPPADLTGDIVMSYSAPTELNPKGVPRVLQSRFSLPLALVCVPSSPAKNTKFKITVDTNQPPVDLSSIFREFSTKTEDKDGNSLAFQFLSGAKVTVLASKTSQRYRIQSDSFEDMWLVVKELVQRFDQHFSKLGIKDFKKSFSGPMPLQEYFLSVDNHFQLRVSAQQYQDLLSERAVQFRAIQRRLLTRFKDKTPAPLQNLDKLLDATYNQVIALAEAAEENRALLEQAFVRLRSSTHLLVLLLSLWQGLTPDQTAILEATLLPLLQDTPQLGWEESCDAAVSHLLRSCLSRSPKDQATSLAQAGGPVLGLPQDTTRLKKHIALLCDRIGKGGRLTLASEANVQIPAQIQNLAAPGGVEPIAEVSGDGEELEPAQEMTKFIKKKPSKKVKKGRNM
					

Structure Viewer

Loading PAE data...

(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	69.3	Low	85.2	Confident	161 Å²	161	66.8 Å²	66.8	79%	0.793	33%	0.325	S	S	*	.				0	82.1	0	-58.4	-64.7	-94.4	0	0	109.7	R7	M1-R7 VanDerWaalsContact C-NH2 3.27Å; M1-R7 PolarHBondContact O-NH2 2.83Å
2	S	77.2	Confident	85.5	Confident	3 Å²	3	62.2 Å²	62.2	2%	0.021	31%	0.305	C	S	.	.			trans	-132.1	-14.7	-163.9	68	0	0	0	0	116.9	F4 K5 R7 G363 T364 D365	S2-F4 PolarHBondContact O-N 2.71Å; S2-K5 PolarHBondContact O-N 2.93Å; S2-K5 VanDerWaalsContact O-N 3.09Å; S2-R7 VanDerWaalsContact CB-NH2 3.29Å; S2-G363 CarbonylContact O-C 3.56Å; S2-G363 VanDerWaalsContact O-CA 3.31Å; S2-G363 WeakPolarHBondContact O-CA 3.01Å; S2-T364 PolarHBondContact OG-N 3.01Å; S2-D365 PolarHBondContact N-O 2.93Å; S2-D365 WeakPolarHBondContact OG-CA 3.48Å; S2-D365 WeakPolarHBondContact OG-CB 3.22Å; S2-D365 PolarHBondContact OG-N 3.41Å; S2-D365 PolarHBondContact OG-OD2 3.02Å
3	L	86.1	Confident	85.9	Confident	58 Å²	58	61.7 Å²	61.7	30%	0.304	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	132.7	-174.6	-167.2	69.3	0	0	0	112.7	K5 W325 G363 D365 P366	L3-K5 PolarHBondContact O-N 3.43Å; L3-W325 HydrophobicContact CD1-CH2 3.84Å; L3-W325 HydrophobicContact CD1-CZ2 4.17Å; L3-G363 WeakPolarHBondContact CA-O 3.18Å; L3-D365 WeakPolarHBondContact CB-O 2.99Å; L3-D365 PolarHBondContact N-O 3.05Å; L3-P366 HydrophobicContact CD2-CB 4.11Å
4	F	88.9	Confident	86	Confident	110 Å²	110	57.3 Å²	57.3	48%	0.482	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	26.4	-179	-50.6	-51.5	0	0	0	114.5	S2 W325 A326 A327 Q328 G363	S2-F4 PolarHBondContact O-N 2.71Å; F4-W325 HydrophobicContact CD1-CH2 4.33Å; F4-W325 AromaticContact CD1-CZ2 3.99Å; F4-W325 HydrophobicContact CD1-CZ2 3.99Å; F4-W325 HydrophobicContact CE1-CE3 4.48Å; F4-W325 HydrophobicContact CE1-CH2 4.03Å; F4-W325 HydrophobicContact CE1-CZ2 4.16Å; F4-W325 HydrophobicContact CE1-CZ3 4.2Å; F4-A326 WeakPolarHBondContact CB-O 3.48Å; F4-A326 WeakPolarHBondContact CD1-O 3.29Å; F4-A327 CarbonylContact O-C 3.57Å; F4-A327 WeakPolarHBondContact O-CA 3.23Å; F4-Q328 PolarHBondContact O-N 3.48Å; F4-G363 PolarHBondContact N-O 3.18Å
5	K	89.5	Confident	85.6	Confident	99 Å²	99	56.1 Å²	56.1	43%	0.43	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-119.8	136.8	169.8	-61.6	-171	175.8	-171.6	0	110.3	S2 L3 R7 G363	S2-K5 PolarHBondContact O-N 2.93Å; S2-K5 VanDerWaalsContact O-N 3.09Å; L3-K5 PolarHBondContact O-N 3.43Å; K5-R7 PolarHBondContact O-N 3.01Å; K5-G363 WeakPolarHBondContact O-CA 3.48Å; K5-G363 PolarHBondContact O-N 2.78Å
6	A	88.3	Confident	85.3	Confident	13 Å²	13	64.6 Å²	64.6	11%	0.107	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	117.8	166	0	0	0	0	0	107.5	A327 Q328 L329	A6-A327 HydrophobicContact CB-CB 4.44Å; A6-Q328 WeakPolarHBondContact CB-O 3.49Å; A6-Q328 PolarHBondContact N-O 2.89Å; A6-L329 HydrophobicContact CB-CD2 3.59Å; A6-L329 HydrophobicContact CB-CG 4.45Å
7	R	88	Confident	85.3	Confident	84 Å²	84	65.2 Å²	65.2	32%	0.317	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	130.6	-179.1	-71.3	-58.3	-167.7	150.8	42	109.8	M1 S2 K5 W9 S360 Y361	M1-R7 VanDerWaalsContact C-NH2 3.27Å; M1-R7 PolarHBondContact O-NH2 2.83Å; S2-R7 VanDerWaalsContact CB-NH2 3.29Å; K5-R7 PolarHBondContact O-N 3.01Å; R7-W9 PolarHBondContact O-N 3.49Å; R7-S360 WeakPolarHBondContact O-CA 3.34Å; R7-S360 WeakPolarHBondContact O-CB 3.41Å; R7-Y361 HydrophobicContact CB-CD1 4.16Å; R7-Y361 HydrophobicContact CB-CD2 4.06Å; R7-Y361 HydrophobicContact CB-CE1 3.69Å; R7-Y361 HydrophobicContact CB-CE2 3.58Å; R7-Y361 HydrophobicContact CB-CG 4.33Å; R7-Y361 HydrophobicContact CG-CE2 4.04Å; R7-Y361 PolarHBondContact N-O 2.99Å; R7-Y361 PolarHBondContact O-N 3.42Å
8	D	86.4	Confident	85.6	Confident	84 Å²	84	62.6 Å²	62.6	45%	0.449	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	128.1	176.5	-167.6	4.5	0	0	0	109.8	W10 S11 L358	D8-W10 PolarHBondContact OD1-N 3.07Å; D8-W10 VanDerWaalsContact OD1-N 3.13Å; D8-S11 PolarHBondContact OD1-N 2.97Å; D8-S11 WeakPolarHBondContact OD2-CB 3.37Å; D8-S11 PolarHBondContact OD2-OG 2.71Å; D8-L358 HydrophobicContact CB-CD1 3.98Å; D8-L358 WeakPolarHBondContact OD1-CD1 3.47Å
9	W	86.3	Confident	86.1	Confident	39 Å²	39	66.1 Å²	66.1	15%	0.148	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-39.6	170.6	177.1	84.9	0	0	0	110.4	R7 P54 A56 L341 C359 Y361	R7-W9 PolarHBondContact O-N 3.49Å; W9-P54 HydrophobicContact CH2-CB 4.09Å; W9-P54 HydrophobicContact CZ3-CB 3.7Å; W9-A56 HydrophobicContact CZ2-CB 3.94Å; W9-L341 HydrophobicContact CE3-CD1 4.01Å; W9-L341 HydrophobicContact CH2-CB 4.12Å; W9-L341 HydrophobicContact CH2-CD1 3.59Å; W9-L341 HydrophobicContact CH2-CG 4.48Å; W9-L341 HydrophobicContact CZ3-CD1 3.21Å; W9-L341 HydrophobicContact CZ3-CG 4.48Å; W9-C359 WeakPolarHBondContact CB-O 3.48Å; W9-C359 HydrophobicContact CE3-CB 3.77Å; W9-C359 HydrophobicContact CZ3-CB 4.29Å; W9-C359 PolarHBondContact N-O 3.48Å; W9-Y361 HydrophobicContact CB-CD1 3.95Å; W9-Y361 HydrophobicContact CB-CE1 4.14Å
10	W	89	Confident	86.5	Confident	21 Å²	21	63.2 Å²	63.2	8%	0.08	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	137.3	167.6	176.4	86.7	0	0	0	109.1	D8 A12 F52 P54 G63 A67 L357 C359	D8-W10 PolarHBondContact OD1-N 3.07Å; D8-W10 VanDerWaalsContact OD1-N 3.13Å; W10-A12 HydrophobicContact CH2-CB 3.59Å; W10-A12 HydrophobicContact CZ2-CB 3.74Å; W10-A12 HydrophobicContact CZ3-CB 4.22Å; W10-F52 HydrophobicContact CH2-CB 4.24Å; W10-F52 AromaticContact CH2-CD1 3.77Å; W10-F52 HydrophobicContact CH2-CD1 3.77Å; W10-F52 HydrophobicContact CH2-CD2 4.45Å; W10-F52 HydrophobicContact CH2-CE1 4.23Å; W10-F52 AromaticContact CH2-CG 3.9Å; W10-F52 HydrophobicContact CH2-CG 3.9Å; W10-F52 HydrophobicContact CZ2-CD1 4.05Å; W10-P54 HydrophobicContact CB-CB 4.18Å; W10-P54 HydrophobicContact CD2-CB 3.77Å; W10-P54 HydrophobicContact CD2-CG 3.84Å; W10-P54 HydrophobicContact CE3-CB 4.14Å; W10-P54 HydrophobicContact CE3-CG 3.74Å; W10-P54 HydrophobicContact CG-CB 3.78Å; W10-P54 HydrophobicContact CG-CG 4.38Å; W10-P54 HydrophobicContact CH2-CG 4.36Å; W10-P54 HydrophobicContact CZ2-CG 4.47Å; W10-P54 HydrophobicContact CZ3-CG 4Å; W10-G63 PolarHBondContact NE1-O 3.25Å; W10-A67 HydrophobicContact CZ2-CB 3.98Å; W10-L357 HydrophobicContact CH2-CD2 3.9Å; W10-L357 HydrophobicContact CZ3-CD2 3.57Å; W10-L357 HydrophobicContact CZ3-CG 3.94Å; W10-C359 HydrophobicContact CB-CB 4.21Å; W10-C359 HydrophobicContact CE3-CB 4.42Å; W10-C359 PolarHBondContact N-O 2.86Å; W10-C359 WeakPolarHBondContact O-CA 3.39Å; W10-C359 WeakPolarHBondContact O-CB 3.29Å; W10-C359 PolarHBondContact O-N 3.47Å
11	S	88.6	Confident	86.9	Confident	63 Å²	63	63.3 Å²	63.3	44%	0.441	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	150.1	177.2	57.2	0	0	0	0	111.6	D8 L357	D8-S11 PolarHBondContact OD1-N 2.97Å; D8-S11 WeakPolarHBondContact OD2-CB 3.37Å; D8-S11 PolarHBondContact OD2-OG 2.71Å; S11-L357 CarbonylContact C-O 3.56Å; S11-L357 VanDerWaalsContact CA-O 3.26Å; S11-L357 WeakPolarHBondContact CA-O 3.34Å
12	A	88.9	Confident	88	Confident	11 Å²	11	58.4 Å²	58.4	9%	0.091	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	144.4	175.2	0	0	0	0	0	110.1	W10 L14 M64 L357	W10-A12 HydrophobicContact CH2-CB 3.59Å; W10-A12 HydrophobicContact CZ2-CB 3.74Å; W10-A12 HydrophobicContact CZ3-CB 4.22Å; A12-L14 HydrophobicContact CB-CD2 4.35Å; A12-M64 HydrophobicContact CB-CE 4.28Å; A12-M64 HydrophobicContact CB-CG 4.42Å; A12-M64 HydrophobicContact CB-SD 4.4Å; A12-L357 PolarHBondContact N-O 2.91Å; A12-L357 PolarHBondContact O-N 3.23Å
13	A	89.6	Confident	88.7	Confident	56 Å²	56	58.9 Å²	58.9	46%	0.463	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	120.1	167.6	0	0	0	0	0	108.3
14	L	87.8	Confident	89.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.312	C	S	.	.			trans	-94.2	105.7	-172.5	-57.1	-179.2	0	0	0	110.8	A12 F20 V42 F52 M64 L351 G355 L357	A12-L14 HydrophobicContact CB-CD2 4.35Å; L14-F20 HydrophobicContact CB-CE2 4.41Å; L14-F20 HydrophobicContact CB-CZ 3.93Å; L14-F20 HydrophobicContact CD1-CE1 4.44Å; L14-F20 HydrophobicContact CD1-CZ 4.33Å; L14-V42 HydrophobicContact CD1-CB 4.07Å; L14-V42 HydrophobicContact CD1-CG1 3.68Å; L14-V42 HydrophobicContact CD1-CG2 4.12Å; L14-F52 HydrophobicContact CD2-CE1 4.47Å; L14-F52 HydrophobicContact CD2-CE2 3.8Å; L14-F52 HydrophobicContact CD2-CZ 3.46Å; L14-F52 VanDerWaalsContact CD2-CZ 3.46Å; L14-M64 HydrophobicContact CD2-CE 3.81Å; L14-L351 HydrophobicContact CD1-CD1 4.15Å; L14-G355 VanDerWaalsContact CB-O 3.32Å; L14-G355 WeakPolarHBondContact CB-O 3.2Å; L14-G355 VanDerWaalsContact CG-O 3.3Å; L14-G355 WeakPolarHBondContact CG-O 3.19Å; L14-G355 PolarHBondContact N-O 3.36Å; L14-L357 HydrophobicContact CD1-CB 4.04Å; L14-L357 HydrophobicContact CD1-CD2 4.28Å; L14-L357 HydrophobicContact CG-CB 4.2Å
15	G	79.9	Confident	89.5	Confident	39 Å²	39	51 Å²	51	40%	0.402	29%	0.29	S	S	.	.	S	Bend	trans	67.3	177.9	175.5	0	0	0	0	0	114.6	E18	G15-E18 WeakPolarHBondContact CA-OE1 3.44Å
16	E	81.3	Confident	89.7	Confident	193 Å²	193	47.1 Å²	47.1	90%	0.902	28%	0.275	S	S	*	.	S	Bend	trans	-116.2	119.5	173.4	-69.1	-173.3	175.3	0	0	109.3	E18	E16-E18 VanDerWaalsContact C-N 3.3Å; E16-E18 PolarHBondContact O-N 3.08Å
17	G	84.6	Confident	90	Very high	75 Å²	75	47.9 Å²	47.9	77%	0.773	28%	0.279	S	S	*	.	S	Bend	trans	73.3	17.5	179.8	0	0	0	0	0	115
18	E	92.1	Very high	90.1	Very high	17 Å²	17	44.3 Å²	44.3	8%	0.079	27%	0.268	C	S	.	.			trans	-77.4	150.6	171	-66.9	-170.5	-142.5	0	0	111.4	G15 E16 F20 S44 M46 R50	G15-E18 WeakPolarHBondContact CA-OE1 3.44Å; E16-E18 VanDerWaalsContact C-N 3.3Å; E16-E18 PolarHBondContact O-N 3.08Å; E18-F20 HydrophobicContact CB-CE2 3.63Å; E18-F20 HydrophobicContact CB-CZ 3.76Å; E18-F20 WeakPolarHBondContact OE2-CZ 3.26Å; E18-S44 WeakPolarHBondContact OE2-CB 3.4Å; E18-S44 PolarHBondContact OE2-OG 2.89Å; E18-M46 HydrophobicContact CG-CB 4.48Å; E18-M46 HydrophobicContact CG-CG 4.17Å; E18-M46 HydrophobicContact CG-SD 3.92Å; E18-R50 IonicContact OE1-CZ 3.98Å; E18-R50 IonicContact OE1-NH1 3.95Å; E18-R50 PolarHBondContact OE1-NH1 2.79Å; E18-R50 VanDerWaalsContact OE1-NH1 3.1Å; E18-R50 IonicContact OE1-NH2 2.94Å; E18-R50 PolarHBondContact OE1-NH2 2.85Å; E18-R50 IonicContact OE2-CZ 3.61Å; E18-R50 IonicContact OE2-NH1 3.56Å; E18-R50 PolarHBondContact OE2-NH1 2.8Å; E18-R50 IonicContact OE2-NH2 3.36Å
19	E	93.9	Very high	90.3	Very high	129 Å²	129	41.5 Å²	41.5	60%	0.603	25%	0.253	S	S	*	.			trans	-121.3	142.1	178	-68.9	-176.4	174.2	0	0	111.2	Y45 S353	E19-Y45 HydrophobicContact CB-CD2 3.93Å; E19-Y45 PolarHBondContact O-N 2.67Å; E19-S353 WeakPolarHBondContact CA-O 3.34Å
20	F	95.1	Very high	90.5	Very high	8 Å²	8	39.6 Å²	39.6	4%	0.035	25%	0.246	C	C	.	.			trans	-135.2	151.2	-176.3	-54.5	-90.4	0	0	0	111.9	L14 E18 C24 V42 G43 L351 S353 G355	L14-F20 HydrophobicContact CB-CE2 4.41Å; L14-F20 HydrophobicContact CB-CZ 3.93Å; L14-F20 HydrophobicContact CD1-CE1 4.44Å; L14-F20 HydrophobicContact CD1-CZ 4.33Å; E18-F20 HydrophobicContact CB-CE2 3.63Å; E18-F20 HydrophobicContact CB-CZ 3.76Å; E18-F20 WeakPolarHBondContact OE2-CZ 3.26Å; F20-C24 HydrophobicContact CB-CB 4.25Å; F20-C24 HydrophobicContact CD1-CB 4.27Å; F20-V42 HydrophobicContact CD1-CG1 3.81Å; F20-V42 HydrophobicContact CE1-CG1 3.66Å; F20-G43 WeakPolarHBondContact CD1-O 3.33Å; F20-L351 HydrophobicContact CB-CD2 3.91Å; F20-L351 HydrophobicContact CB-CG 4.27Å; F20-L351 HydrophobicContact CD1-CD2 4.14Å; F20-L351 HydrophobicContact CG-CD1 4.39Å; F20-L351 HydrophobicContact CG-CD2 4.18Å; F20-S353 PolarHBondContact N-O 3.47Å; F20-G355 VanDerWaalsContact CD2-CA 3.47Å
21	D	94.3	Very high	90.4	Very high	67 Å²	67	39.8 Å²	39.8	36%	0.358	25%	0.248	S	C	.	.			trans	-134.2	-177.6	177.5	-160.8	3	0	0	0	112.1	G23 C24 Y45	D21-G23 PolarHBondContact O-N 3.48Å; D21-C24 PolarHBondContact N-SG 3.44Å; D21-C24 WeakPolarHBondContact O-CB 3.48Å; D21-C24 PolarHBondContact O-N 2.86Å; D21-Y45 HydrophobicContact CB-CE1 4.49Å; D21-Y45 HydrophobicContact CB-CE2 4.26Å; D21-Y45 WeakPolarHBondContact CB-OH 3.07Å; D21-Y45 PolarHBondContact OD2-OH 3.24Å
22	Q	92.4	Very high	90.4	Very high	57 Å²	57	38.9 Å²	38.9	27%	0.266	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-58.5	-32.1	-172.9	64.7	-179.8	12.1	0	0	114.1	C24 L249	Q22-C24 VanDerWaalsContact C-N 3.3Å; Q22-L249 PolarHBondContact NE2-O 3.08Å; Q22-L249 PolarHBondContact OE1-O 2.94Å
23	G	91.8	Very high	90.1	Very high	13 Å²	13	40.7 Å²	40.7	13%	0.134	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-78.9	-9.9	179	0	0	0	0	0	114.3	D21 L25 Q80 V81	D21-G23 PolarHBondContact O-N 3.48Å; G23-L25 PolarHBondContact O-N 3.27Å; G23-Q80 WeakPolarHBondContact O-CA 3.25Å; G23-V81 PolarHBondContact O-N 3.23Å
24	C	95.2	Very high	89.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-79.4	-15.2	-173.5	-67.9	0	0	0	0	114	F20 D21 Q22 V42 G43 L351	F20-C24 HydrophobicContact CB-CB 4.25Å; F20-C24 HydrophobicContact CD1-CB 4.27Å; D21-C24 PolarHBondContact N-SG 3.44Å; D21-C24 WeakPolarHBondContact O-CB 3.48Å; D21-C24 PolarHBondContact O-N 2.86Å; Q22-C24 VanDerWaalsContact C-N 3.3Å; C24-V42 VanDerWaalsContact O-CA 3.28Å; C24-V42 WeakPolarHBondContact O-CA 3.43Å; C24-G43 WeakPolarHBondContact CB-O 3.22Å; C24-G43 PolarHBondContact O-N 3.2Å; C24-G43 PolarHBondContact SG-O 2.79Å; C24-L351 HydrophobicContact CB-CD2 4.11Å
25	L	96	Very high	89.1	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	119.5	-176.9	-178.4	65.9	0	0	0	111.8	G23 I40 V42 A335 R337 V349 L351 L357	G23-L25 PolarHBondContact O-N 3.27Å; L25-I40 HydrophobicContact CD1-CG2 3.72Å; L25-V42 HydrophobicContact CD1-CG2 3.99Å; L25-A335 HydrophobicContact CB-CB 3.65Å; L25-A335 HydrophobicContact CD2-CB 3.86Å; L25-A335 HydrophobicContact CG-CB 4.39Å; L25-R337 HydrophobicContact CD2-CB 4.24Å; L25-R337 HydrophobicContact CD2-CG 3.84Å; L25-R337 HydrophobicContact CG-CG 3.89Å; L25-R337 PolarHBondContact O-NE 3.05Å; L25-V349 HydrophobicContact CD1-CG1 4.11Å; L25-V349 HydrophobicContact CD2-CG1 4.17Å; L25-L351 HydrophobicContact CB-CB 4.38Å; L25-L351 HydrophobicContact CB-CD2 3.99Å; L25-L351 HydrophobicContact CD2-CB 3.99Å; L25-L357 HydrophobicContact CD1-CD1 4.2Å
26	C	94.5	Very high	89.1	Confident	18 Å²	18	45.8 Å²	45.8	12%	0.122	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	151.8	173.2	-162.6	0	0	0	0	110.8	V41 V81	C26-V41 HydrophobicContact CB-CB 4.36Å; C26-V41 PolarHBondContact N-O 3.15Å; C26-V41 PolarHBondContact O-N 3.38Å; C26-V81 HydrophobicContact CB-CG1 4.4Å
27	V	93.6	Very high	89.3	Confident	29 Å²	29	39.4 Å²	39.4	18%	0.176	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	129.4	179.8	172.8	0	0	0	0	108.5	D38 K39 R337 A339	V27-D38 HydrophobicContact CG1-CB 3.44Å; V27-D38 VanDerWaalsContact CG1-CB 3.44Å; V27-K39 WeakPolarHBondContact CA-O 3.41Å; V27-R337 HydrophobicContact CB-CB 4.22Å; V27-R337 HydrophobicContact CG2-CB 3.54Å; V27-R337 HydrophobicContact CG2-CG 4.04Å; V27-A339 HydrophobicContact CG1-CB 3.56Å; V27-A339 HydrophobicContact CG2-CB 4.47Å
28	G	90.8	Very high	89.7	Confident	9 Å²	9	37.3 Å²	37.3	9%	0.093	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.9	169	175	0	0	0	0	0	113.1	V30 K39	G28-V30 PolarHBondContact O-N 2.96Å; G28-K39 PolarHBondContact N-O 3.27Å; G28-K39 VanDerWaalsContact N-O 3.13Å; G28-K39 PolarHBondContact O-N 3.36Å
29	D	90.9	Very high	89.7	Confident	25 Å²	25	37 Å²	37	13%	0.134	23%	0.232	C	C	.	.			trans	-76.1	63.5	177.1	-170.5	25.1	0	0	0	111.1	D31 N32 S33 G34 K39	D29-D31 PolarHBondContact O-N 2.99Å; D29-N32 PolarHBondContact O-N 2.86Å; D29-S33 PolarHBondContact OD1-N 2.82Å; D29-S33 VanDerWaalsContact OD1-N 3.14Å; D29-S33 PolarHBondContact OD1-OG 2.84Å; D29-S33 PolarHBondContact OD2-N 2.79Å; D29-G34 PolarHBondContact OD2-N 2.8Å; D29-K39 IonicContact OD1-NZ 2.93Å
30	V	89.9	Confident	89.7	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-26.3	-174.6	70.8	0	0	0	0	113.3	G28 N32 K39 V41 I51 V83 L95 V108	G28-V30 PolarHBondContact O-N 2.96Å; V30-N32 VanDerWaalsContact C-N 3.29Å; V30-N32 PolarHBondContact O-ND2 3.26Å; V30-K39 HydrophobicContact CG1-CB 4.09Å; V30-K39 HydrophobicContact CG1-CG 4.33Å; V30-V41 HydrophobicContact CG1-CG2 4.22Å; V30-I51 HydrophobicContact CG1-CD1 4.04Å; V30-I51 HydrophobicContact CG1-CG2 4.07Å; V30-V83 HydrophobicContact CB-CG2 4.29Å; V30-V83 HydrophobicContact CG2-CG2 4.16Å; V30-L95 HydrophobicContact CG2-CB 3.99Å; V30-L95 HydrophobicContact CG2-CD1 4.22Å; V30-V108 HydrophobicContact CG2-CB 4.27Å; V30-V108 HydrophobicContact CG2-CG2 3.79Å
31	D	87.6	Confident	89.7	Confident	24 Å²	24	30.4 Å²	30.4	13%	0.128	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-2.8	175.5	57.3	-37.9	0	0	0	113.1	D29 S33 K39 Y121	D29-D31 PolarHBondContact O-N 2.99Å; D31-S33 PolarHBondContact O-N 3.47Å; D31-K39 VanDerWaalsContact CG-NZ 3.29Å; D31-K39 VanDerWaalsContact OD1-CG 3.31Å; D31-K39 WeakPolarHBondContact OD1-CG 3.4Å; D31-K39 IonicContact OD1-NZ 3.9Å; D31-K39 PolarHBondContact OD1-NZ 3.05Å; D31-K39 WeakPolarHBondContact OD2-CE 3.44Å; D31-K39 IonicContact OD2-NZ 3.92Å; D31-K39 PolarHBondContact OD2-NZ 3.23Å; D31-Y121 HydrophobicContact CB-CE1 4.08Å
32	N	87.9	Confident	89.8	Confident	45 Å²	45	27.3 Å²	27.3	24%	0.241	19%	0.185	C	C	.	.			trans	50.9	39.6	-179.9	-60	-85.8	0	0	0	112.6	D29 V30 G34 L92 L93	D29-N32 PolarHBondContact O-N 2.86Å; V30-N32 VanDerWaalsContact C-N 3.29Å; V30-N32 PolarHBondContact O-ND2 3.26Å; N32-G34 PolarHBondContact O-N 2.83Å; N32-G34 VanDerWaalsContact O-N 3.15Å; N32-L92 HydrophobicContact CB-CD2 4.02Å; N32-L93 PolarHBondContact ND2-O 3.3Å; N32-L93 PolarHBondContact OD1-N 3.28Å
33	S	82.9	Confident	89.9	Confident	48 Å²	48	24.6 Å²	24.6	34%	0.336	17%	0.172	S	C	.	.			trans	-65.5	-19.4	-172.8	64.2	0	0	0	0	113.2	D29 D31 T35	D29-S33 PolarHBondContact OD1-N 2.82Å; D29-S33 VanDerWaalsContact OD1-N 3.14Å; D29-S33 PolarHBondContact OD1-OG 2.84Å; D29-S33 PolarHBondContact OD2-N 2.79Å; D31-S33 PolarHBondContact O-N 3.47Å; S33-T35 PolarHBondContact O-N 3.08Å; S33-T35 PolarHBondContact OG-N 2.94Å; S33-T35 PolarHBondContact OG-OG1 2.92Å
34	G	78.3	Confident	90.1	Very high	73 Å²	73	24 Å²	24	75%	0.753	17%	0.165	S	C	*	.	S	Bend	trans	73.2	1.9	-176.8	0	0	0	0	0	113.6	D29 N32 G36	D29-G34 PolarHBondContact OD2-N 2.8Å; N32-G34 PolarHBondContact O-N 2.83Å; N32-G34 VanDerWaalsContact O-N 3.15Å; G34-G36 VanDerWaalsContact C-N 3.34Å
35	T	78.8	Confident	90	Very high	82 Å²	82	27.7 Å²	27.7	50%	0.503	18%	0.18	S	C	.	.	S	Bend	trans	-79.2	-19.1	178	63.6	0	0	0	0	112.7	S33 H37	S33-T35 PolarHBondContact O-N 3.08Å; S33-T35 PolarHBondContact OG-N 2.94Å; S33-T35 PolarHBondContact OG-OG1 2.92Å; T35-H37 VanDerWaalsContact C-N 3.28Å; T35-H37 PolarHBondContact OG1-CD2 3.2Å; T35-H37 PolarHBondContact OG1-N 3.03Å
36	G	78.7	Confident	89.8	Confident	48 Å²	48	33 Å²	33	50%	0.495	21%	0.206	S	C	.	.			trans	75	15.3	-175.9	0	0	0	0	0	113.9	G34	G34-G36 VanDerWaalsContact C-N 3.34Å
37	H	87.3	Confident	89.7	Confident	58 Å²	58	32.1 Å²	32.1	27%	0.269	20%	0.2	S	C	.	.			trans	-96.5	127.1	174.2	-61.8	-50.4	0	0	0	111.4	T35 K39 N340 P342	T35-H37 VanDerWaalsContact C-N 3.28Å; T35-H37 PolarHBondContact OG1-CD2 3.2Å; T35-H37 PolarHBondContact OG1-N 3.03Å; H37-K39 PolarHBondContact O-NZ 3.27Å; H37-N340 WeakPolarHBondContact CA-O 3.39Å; H37-P342 HydrophobicContact CB-CG 4.32Å; H37-P342 VanDerWaalsContact CE1-CA 3.48Å; H37-P342 WeakPolarHBondContact CE1-CA 3.36Å
38	D	90.9	Very high	89.8	Confident	32 Å²	32	31.9 Å²	31.9	17%	0.171	20%	0.197	C	C	.	.			trans	-75.6	146	-178.6	-58.5	-48.6	0	0	0	111.4	V27 A339 N340 L341	V27-D38 HydrophobicContact CG1-CB 3.44Å; V27-D38 VanDerWaalsContact CG1-CB 3.44Å; D38-A339 HydrophobicContact CB-CB 4.4Å; D38-N340 PolarHBondContact N-O 2.59Å; D38-N340 PolarHBondContact OD2-N 3.02Å; D38-L341 WeakPolarHBondContact O-CD2 3.45Å
39	K	92.2	Very high	90	Very high	9 Å²	9	31.4 Å²	31.4	4%	0.039	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	150.2	168.8	-52	-51.7	-171.7	-58	0	109.8	V27 G28 D29 V30 D31 H37 I51 F52 S53 L69	V27-K39 WeakPolarHBondContact CA-O 3.41Å; G28-K39 PolarHBondContact N-O 3.27Å; G28-K39 VanDerWaalsContact N-O 3.13Å; G28-K39 PolarHBondContact O-N 3.36Å; D29-K39 IonicContact OD1-NZ 2.93Å; V30-K39 HydrophobicContact CG1-CB 4.09Å; V30-K39 HydrophobicContact CG1-CG 4.33Å; D31-K39 VanDerWaalsContact CG-NZ 3.29Å; D31-K39 VanDerWaalsContact OD1-CG 3.31Å; D31-K39 WeakPolarHBondContact OD1-CG 3.4Å; D31-K39 IonicContact OD1-NZ 3.9Å; D31-K39 PolarHBondContact OD1-NZ 3.05Å; D31-K39 WeakPolarHBondContact OD2-CE 3.44Å; D31-K39 IonicContact OD2-NZ 3.92Å; D31-K39 PolarHBondContact OD2-NZ 3.23Å; H37-K39 PolarHBondContact O-NZ 3.27Å; K39-I51 HydrophobicContact CB-CG2 3.91Å; K39-F52 WeakPolarHBondContact CA-O 3.37Å; K39-S53 WeakPolarHBondContact CE-OG 3.39Å; K39-L69 HydrophobicContact CD-CD1 4.07Å; K39-L69 HydrophobicContact CG-CD1 4.22Å
40	I	94.6	Very high	90.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.5	178.9	-54.7	170.8	0	0	0	107.8	L25 V42 I51 F52 P54 V349 L357 C359	L25-I40 HydrophobicContact CD1-CG2 3.72Å; I40-V42 HydrophobicContact CG2-CG2 4.06Å; I40-I51 CarbonylContact O-C 3.55Å; I40-I51 WeakPolarHBondContact O-CA 3.31Å; I40-F52 HydrophobicContact CB-CB 4.32Å; I40-F52 PolarHBondContact N-O 3.49Å; I40-F52 PolarHBondContact O-N 2.77Å; I40-P54 HydrophobicContact CD1-CG 3.87Å; I40-V349 HydrophobicContact CD1-CG1 4.03Å; I40-V349 HydrophobicContact CD1-CG2 4Å; I40-V349 HydrophobicContact CG1-CG1 4.46Å; I40-V349 HydrophobicContact CG1-CG2 4.36Å; I40-V349 HydrophobicContact CG2-CG1 4.11Å; I40-L357 HydrophobicContact CG2-CD1 4.29Å; I40-L357 HydrophobicContact CG2-CD2 4.15Å; I40-C359 WeakPolarHBondContact CD1-SG 3.38Å
41	V	95.3	Very high	90.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.1	176.3	-172	0	0	0	0	109.2	C26 V30 L49 R50 I51 V81 L95	C26-V41 HydrophobicContact CB-CB 4.36Å; C26-V41 PolarHBondContact N-O 3.15Å; C26-V41 PolarHBondContact O-N 3.38Å; V30-V41 HydrophobicContact CG1-CG2 4.22Å; V41-L49 HydrophobicContact CG1-CD1 3.77Å; V41-R50 WeakPolarHBondContact CA-O 3.49Å; V41-I51 HydrophobicContact CG1-CG1 4.14Å; V41-I51 HydrophobicContact CG2-CD1 4.3Å; V41-I51 HydrophobicContact CG2-CG1 4.13Å; V41-I51 HydrophobicContact CG2-CG2 4.25Å; V41-V81 HydrophobicContact CB-CG1 4.48Å; V41-V81 HydrophobicContact CG1-CG1 3.76Å; V41-L95 HydrophobicContact CG1-CD1 4.05Å; V41-L95 HydrophobicContact CG1-CD2 4.25Å; V41-L95 HydrophobicContact CG2-CD1 4.38Å
42	V	96.1	Very high	90.5	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	125.7	177.9	-171.1	0	0	0	0	110.5	L14 F20 C24 L25 I40 R50 F52 L351 L357	L14-V42 HydrophobicContact CD1-CB 4.07Å; L14-V42 HydrophobicContact CD1-CG1 3.68Å; L14-V42 HydrophobicContact CD1-CG2 4.12Å; F20-V42 HydrophobicContact CD1-CG1 3.81Å; F20-V42 HydrophobicContact CE1-CG1 3.66Å; C24-V42 VanDerWaalsContact O-CA 3.28Å; C24-V42 WeakPolarHBondContact O-CA 3.43Å; L25-V42 HydrophobicContact CD1-CG2 3.99Å; I40-V42 HydrophobicContact CG2-CG2 4.06Å; V42-R50 PolarHBondContact N-O 2.84Å; V42-R50 PolarHBondContact O-N 2.94Å; V42-F52 HydrophobicContact CG2-CE2 4.47Å; V42-L351 HydrophobicContact CG1-CD1 4.35Å; V42-L351 HydrophobicContact CG1-CD2 3.91Å; V42-L357 HydrophobicContact CG2-CD1 4.36Å; V42-L357 HydrophobicContact CG2-CD2 4.05Å
43	G	95.3	Very high	90.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	137	172.7	0	0	0	0	0	111.7	F20 C24	F20-G43 WeakPolarHBondContact CD1-O 3.33Å; C24-G43 WeakPolarHBondContact CB-O 3.22Å; C24-G43 PolarHBondContact O-N 3.2Å; C24-G43 PolarHBondContact SG-O 2.79Å
44	S	95.2	Very high	90.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.162	C	C	.	.			trans	-106.6	152.1	-178.7	175.1	0	0	0	0	112.6	E18 M46 G47 M48 I78	E18-S44 WeakPolarHBondContact OE2-CB 3.4Å; E18-S44 PolarHBondContact OE2-OG 2.89Å; S44-M46 PolarHBondContact O-N 3.31Å; S44-M46 PolarHBondContact OG-N 2.8Å; S44-M46 VanDerWaalsContact OG-N 3.14Å; S44-G47 PolarHBondContact O-N 3.22Å; S44-M48 WeakPolarHBondContact CB-O 3.41Å; S44-M48 PolarHBondContact N-O 2.96Å; S44-I78 WeakPolarHBondContact O-CB 3.36Å; S44-I78 PolarHBondContact O-N 2.74Å
45	Y	94.3	Very high	90.5	Very high	79 Å²	79	26.1 Å²	26.1	31%	0.31	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-16.6	169.2	-71.2	-15.3	0	0	0	113.6	E19 D21 G47 A77 I78	E19-Y45 HydrophobicContact CB-CD2 3.93Å; E19-Y45 PolarHBondContact O-N 2.67Å; D21-Y45 HydrophobicContact CB-CE1 4.49Å; D21-Y45 HydrophobicContact CB-CE2 4.26Å; D21-Y45 WeakPolarHBondContact CB-OH 3.07Å; D21-Y45 PolarHBondContact OD2-OH 3.24Å; Y45-G47 PolarHBondContact O-N 2.95Å; Y45-A77 WeakPolarHBondContact O-CA 3.38Å; Y45-A77 WeakPolarHBondContact O-CB 2.96Å; Y45-I78 VanDerWaalsContact CD1-O 3.28Å; Y45-I78 WeakPolarHBondContact CD1-O 3.26Å
46	M	91.9	Very high	89.7	Confident	112 Å²	112	23.3 Å²	23.3	55%	0.552	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-1	170.6	-60	-157.7	78	0	0	113.6	E18 S44 Q73	E18-M46 HydrophobicContact CG-CB 4.48Å; E18-M46 HydrophobicContact CG-CG 4.17Å; E18-M46 HydrophobicContact CG-SD 3.92Å; S44-M46 PolarHBondContact O-N 3.31Å; S44-M46 PolarHBondContact OG-N 2.8Å; S44-M46 VanDerWaalsContact OG-N 3.14Å; M46-Q73 PolarHBondContact O-NE2 2.67Å
47	G	91.7	Very high	88.5	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	89	7	-179.5	0	0	0	0	0	114.5	S44 Y45 L74 N76	S44-G47 PolarHBondContact O-N 3.22Å; Y45-G47 PolarHBondContact O-N 2.95Å; G47-L74 WeakPolarHBondContact O-CA 3.45Å; G47-L74 WeakPolarHBondContact O-CB 3.47Å; G47-L74 PolarHBondContact O-N 3.14Å; G47-N76 WeakPolarHBondContact CA-O 3.31Å
48	M	94.5	Very high	86.8	Confident	24 Å²	24	30.5 Å²	30.5	12%	0.118	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	122.4	176.5	-68.3	-63	-83.6	0	0	111.2	S44 R50 E71 Q73	S44-M48 WeakPolarHBondContact CB-O 3.41Å; S44-M48 PolarHBondContact N-O 2.96Å; M48-R50 VanDerWaalsContact CE-NH2 3.33Å; M48-E71 HydrophobicContact CE-CG 3.52Å; M48-E71 WeakPolarHBondContact CE-OE1 3.37Å; M48-Q73 HydrophobicContact SD-CB 3.59Å; M48-Q73 VanDerWaalsContact SD-CB 3.59Å; M48-Q73 HydrophobicContact SD-CG 4.06Å; M48-Q73 PolarHBondContact SD-OE1 3.27Å
49	L	95.1	Very high	84.8	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.3	174	-179.1	68.2	0	0	0	109.6	V41 E71 V72 L74 I78 V81 L95 V97 L123	V41-L49 HydrophobicContact CG1-CD1 3.77Å; L49-E71 WeakPolarHBondContact O-CA 3.32Å; L49-V72 PolarHBondContact N-O 2.88Å; L49-V72 PolarHBondContact O-N 3.07Å; L49-L74 HydrophobicContact CB-CD1 4.43Å; L49-I78 HydrophobicContact CB-CD1 3.88Å; L49-I78 HydrophobicContact CD1-CD1 4.4Å; L49-V81 HydrophobicContact CD1-CG2 4.36Å; L49-L95 HydrophobicContact CD1-CD2 4.31Å; L49-L95 HydrophobicContact CD2-CD2 3.79Å; L49-V97 HydrophobicContact CD2-CG2 4.26Å; L49-L123 HydrophobicContact CD2-CD1 4.44Å; L49-L123 HydrophobicContact CD2-CD2 3.84Å
50	R	93.9	Very high	82.2	Confident	9 Å²	9	40.4 Å²	40.4	3%	0.034	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.9	-178.6	-59.2	-177.4	-178.9	95.2	-1.1	110.7	E18 V41 V42 M48 F52 L70 E71	E18-R50 IonicContact OE1-CZ 3.98Å; E18-R50 IonicContact OE1-NH1 3.95Å; E18-R50 PolarHBondContact OE1-NH1 2.79Å; E18-R50 VanDerWaalsContact OE1-NH1 3.1Å; E18-R50 IonicContact OE1-NH2 2.94Å; E18-R50 PolarHBondContact OE1-NH2 2.85Å; E18-R50 IonicContact OE2-CZ 3.61Å; E18-R50 IonicContact OE2-NH1 3.56Å; E18-R50 PolarHBondContact OE2-NH1 2.8Å; E18-R50 IonicContact OE2-NH2 3.36Å; V41-R50 WeakPolarHBondContact CA-O 3.49Å; V42-R50 PolarHBondContact N-O 2.84Å; V42-R50 PolarHBondContact O-N 2.94Å; M48-R50 VanDerWaalsContact CE-NH2 3.33Å; R50-F52 HydrophobicContact CB-CD2 4.37Å; R50-F52 HydrophobicContact CB-CE2 3.5Å; R50-F52 HydrophobicContact CB-CZ 3.73Å; R50-F52 HydrophobicContact CG-CZ 4.37Å; R50-L70 WeakPolarHBondContact CA-O 3.37Å; R50-E71 HydrophobicContact CG-CB 4.24Å; R50-E71 HydrophobicContact CG-CG 4.03Å; R50-E71 IonicContact CZ-OE1 2.77Å; R50-E71 VanDerWaalsContact CZ-OE1 3.3Å; R50-E71 IonicContact NE-OE1 2.7Å; R50-E71 PolarHBondContact NE-OE1 2.86Å; R50-E71 IonicContact NH2-OE1 2.72Å; R50-E71 PolarHBondContact NH2-OE1 2.85Å
51	I	93.6	Very high	79.7	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.1	172.9	-51.8	-173.7	0	0	0	108.8	V30 K39 I40 V41 L69 L70 L95 V108	V30-I51 HydrophobicContact CG1-CD1 4.04Å; V30-I51 HydrophobicContact CG1-CG2 4.07Å; K39-I51 HydrophobicContact CB-CG2 3.91Å; I40-I51 CarbonylContact O-C 3.55Å; I40-I51 WeakPolarHBondContact O-CA 3.31Å; V41-I51 HydrophobicContact CG1-CG1 4.14Å; V41-I51 HydrophobicContact CG2-CD1 4.3Å; V41-I51 HydrophobicContact CG2-CG1 4.13Å; V41-I51 HydrophobicContact CG2-CG2 4.25Å; I51-L69 HydrophobicContact CB-CB 4.49Å; I51-L69 HydrophobicContact CG2-CB 4.5Å; I51-L69 HydrophobicContact CG2-CD1 4.12Å; I51-L69 PolarHBondContact O-N 2.79Å; I51-L70 HydrophobicContact CB-CD2 4.41Å; I51-L70 HydrophobicContact CB-CG 3.97Å; I51-L70 HydrophobicContact CD1-CD1 4.17Å; I51-L70 HydrophobicContact CD1-CD2 3.6Å; I51-L70 HydrophobicContact CD1-CG 3.94Å; I51-L70 HydrophobicContact CG1-CD1 3.94Å; I51-L70 HydrophobicContact CG1-CD2 4.08Å; I51-L70 HydrophobicContact CG1-CG 3.82Å; I51-L70 PolarHBondContact N-O 3.41Å; I51-L70 PolarHBondContact O-N 2.84Å; I51-L95 HydrophobicContact CD1-CD2 4.39Å; I51-V108 HydrophobicContact CD1-CG1 4.27Å; I51-V108 HydrophobicContact CD1-CG2 3.84Å
52	F	91.3	Very high	77.1	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	143.3	-179.3	-57.1	-85	0	0	0	111.6	W10 L14 K39 I40 V42 R50 P54 A67 Q68 L357	W10-F52 HydrophobicContact CH2-CB 4.24Å; W10-F52 AromaticContact CH2-CD1 3.77Å; W10-F52 HydrophobicContact CH2-CD1 3.77Å; W10-F52 HydrophobicContact CH2-CD2 4.45Å; W10-F52 HydrophobicContact CH2-CE1 4.23Å; W10-F52 AromaticContact CH2-CG 3.9Å; W10-F52 HydrophobicContact CH2-CG 3.9Å; W10-F52 HydrophobicContact CZ2-CD1 4.05Å; L14-F52 HydrophobicContact CD2-CE1 4.47Å; L14-F52 HydrophobicContact CD2-CE2 3.8Å; L14-F52 HydrophobicContact CD2-CZ 3.46Å; L14-F52 VanDerWaalsContact CD2-CZ 3.46Å; K39-F52 WeakPolarHBondContact CA-O 3.37Å; I40-F52 HydrophobicContact CB-CB 4.32Å; I40-F52 PolarHBondContact N-O 3.49Å; I40-F52 PolarHBondContact O-N 2.77Å; V42-F52 HydrophobicContact CG2-CE2 4.47Å; R50-F52 HydrophobicContact CB-CD2 4.37Å; R50-F52 HydrophobicContact CB-CE2 3.5Å; R50-F52 HydrophobicContact CB-CZ 3.73Å; R50-F52 HydrophobicContact CG-CZ 4.37Å; F52-P54 HydrophobicContact CB-CG 4.32Å; F52-A67 CarbonylContact C-O 3.52Å; F52-A67 VanDerWaalsContact CA-O 3.28Å; F52-A67 WeakPolarHBondContact CA-O 3.44Å; F52-Q68 HydrophobicContact CD1-CB 3.9Å; F52-Q68 HydrophobicContact CD1-CG 4.18Å; F52-Q68 HydrophobicContact CE1-CB 3.81Å; F52-Q68 HydrophobicContact CE1-CG 3.83Å; F52-L357 HydrophobicContact CD2-CD2 3.95Å; F52-L357 HydrophobicContact CE2-CD2 4.05Å
53	S	88.9	Confident	75	Confident	20 Å²	20	53.3 Å²	53.3	14%	0.14	30%	0.303	C	S	.	.			trans	-125.8	78.6	166	-170.2	0	0	0	0	109.2	K39 A67	K39-S53 WeakPolarHBondContact CE-OG 3.39Å; S53-A67 PolarHBondContact N-O 3.28Å
54	P	84.6	Confident	73.1	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.319	C	S	.	.			trans	-65.2	140.6	-176.9	-19.8	33	0	0	0	112.4	W9 W10 I40 F52	W9-P54 HydrophobicContact CH2-CB 4.09Å; W9-P54 HydrophobicContact CZ3-CB 3.7Å; W10-P54 HydrophobicContact CB-CB 4.18Å; W10-P54 HydrophobicContact CD2-CB 3.77Å; W10-P54 HydrophobicContact CD2-CG 3.84Å; W10-P54 HydrophobicContact CE3-CB 4.14Å; W10-P54 HydrophobicContact CE3-CG 3.74Å; W10-P54 HydrophobicContact CG-CB 3.78Å; W10-P54 HydrophobicContact CG-CG 4.38Å; W10-P54 HydrophobicContact CH2-CG 4.36Å; W10-P54 HydrophobicContact CZ2-CG 4.47Å; W10-P54 HydrophobicContact CZ3-CG 4Å; I40-P54 HydrophobicContact CD1-CG 3.87Å; F52-P54 HydrophobicContact CB-CG 4.32Å
55	N	77.1	Confident	71.3	Confident	74 Å²	74	60.3 Å²	60.3	40%	0.396	35%	0.351	S	S	.	.			trans	-132.5	138.2	175.2	-80.7	-29.2	0	0	0	110.1	N57 P342	N55-N57 PolarHBondContact O-N 3.14Å; N55-P342 WeakPolarHBondContact OD1-CG 3.36Å
56	A	62.2	Low	69.9	Low	23 Å²	23	61.3 Å²	61.3	19%	0.19	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-73.3	-26.8	-172.3	0	0	0	0	0	114	W9 K58 L59 E343	W9-A56 HydrophobicContact CZ2-CB 3.94Å; A56-K58 PolarHBondContact O-N 2.85Å; A56-K58 VanDerWaalsContact O-N 3.1Å; A56-L59 WeakPolarHBondContact O-CD1 3.44Å; A56-E343 WeakPolarHBondContact CB-OE2 3.22Å
57	N	52.2	Low	69.2	Low	148 Å²	148	56.3 Å²	56.3	79%	0.791	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-76.8	8	-171.2	-91.6	-23.7	0	0	0	116.2	N55	N55-N57 PolarHBondContact O-N 3.14Å
58	K	52.7	Low	68.9	Low	109 Å²	109	58.6 Å²	58.6	47%	0.474	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-124.2	33.7	-174.2	-62.8	-170.3	168.9	-164.9	0	114.5	A56 S60 D66	A56-K58 PolarHBondContact O-N 2.85Å; A56-K58 VanDerWaalsContact O-N 3.1Å; K58-S60 PolarHBondContact O-N 3.02Å; K58-D66 HydrophobicContact CD-CB 3.85Å; K58-D66 VanDerWaalsContact CD-OD2 3.24Å; K58-D66 WeakPolarHBondContact CD-OD2 3.38Å; K58-D66 WeakPolarHBondContact CE-OD2 3.45Å; K58-D66 IonicContact NZ-OD2 2.76Å; K58-D66 PolarHBondContact NZ-OD2 3.22Å
59	L	47.8	Very low	68.5	Low	144 Å²	144	59.1 Å²	59.1	75%	0.754	35%	0.352	S	S	*	.			trans	-76.2	13	179.5	-91.8	144.6	0	0	0	115.1	A56	A56-L59 WeakPolarHBondContact O-CD1 3.44Å
60	S	38.1	Very low	68.1	Low	105 Å²	105	59.8 Å²	59.8	73%	0.734	36%	0.355	S	S	*	.	S	Bend	trans	-95.9	105	174	59.6	0	0	0	0	111.5	K58 G62	K58-S60 PolarHBondContact O-N 3.02Å; S60-G62 PolarHBondContact O-N 2.83Å
61	D	41.3	Very low	68	Low	186 Å²	186	63.3 Å²	63.3	100%	0.995	37%	0.372	S	S	*	.	S	Bend	trans	53.9	2	161.6	-100.7	-5.4	0	0	0	120.5
62	G	42.2	Very low	67.9	Low	39 Å²	39	65.6 Å²	65.6	40%	0.402	39%	0.386	S	S	.	.			trans	-129.9	26.5	178.5	0	0	0	0	0	115.3	S60 M64 A65	S60-G62 PolarHBondContact O-N 2.83Å; G62-M64 VanDerWaalsContact C-N 3.28Å; G62-M64 PolarHBondContact O-N 2.86Å; G62-A65 PolarHBondContact O-N 3.39Å
63	G	51	Low	68	Low	46 Å²	46	71.2 Å²	71.2	47%	0.474	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-9.3	-155.3	0	0	0	0	0	120	W10	W10-G63 PolarHBondContact NE1-O 3.25Å
64	M	56.4	Low	68.1	Low	68 Å²	68	71 Å²	71	34%	0.335	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-35.7	180	-159.2	172.1	172.7	0	0	113.2	A12 L14 G62 D66 Q68	A12-M64 HydrophobicContact CB-CE 4.28Å; A12-M64 HydrophobicContact CB-CG 4.42Å; A12-M64 HydrophobicContact CB-SD 4.4Å; L14-M64 HydrophobicContact CD2-CE 3.81Å; G62-M64 VanDerWaalsContact C-N 3.28Å; G62-M64 PolarHBondContact O-N 2.86Å; M64-D66 PolarHBondContact O-N 2.85Å; M64-Q68 WeakPolarHBondContact O-CB 3.26Å; M64-Q68 PolarHBondContact O-N 2.89Å
65	A	57.2	Low	68.2	Low	80 Å²	80	79.9 Å²	79.9	66%	0.661	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-31.9	-174.3	0	0	0	0	0	113.2	G62	G62-A65 PolarHBondContact O-N 3.39Å
66	D	63.6	Low	68.9	Low	100 Å²	100	79.5 Å²	79.5	54%	0.535	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-18.5	-176.5	-87.4	27.1	0	0	0	114	K58 M64	K58-D66 HydrophobicContact CD-CB 3.85Å; K58-D66 VanDerWaalsContact CD-OD2 3.24Å; K58-D66 WeakPolarHBondContact CD-OD2 3.38Å; K58-D66 WeakPolarHBondContact CE-OD2 3.45Å; K58-D66 IonicContact NZ-OD2 2.76Å; K58-D66 PolarHBondContact NZ-OD2 3.22Å; M64-D66 PolarHBondContact O-N 2.85Å
67	A	77.1	Confident	70.4	Confident	7 Å²	7	80 Å²	80	6%	0.058	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-18	178.1	0	0	0	0	0	112.3	W10 F52 S53	W10-A67 HydrophobicContact CZ2-CB 3.98Å; F52-A67 CarbonylContact C-O 3.52Å; F52-A67 VanDerWaalsContact CA-O 3.28Å; F52-A67 WeakPolarHBondContact CA-O 3.44Å; S53-A67 PolarHBondContact N-O 3.28Å
68	Q	85.3	Confident	72.5	Confident	48 Å²	48	72.9 Å²	72.9	22%	0.224	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	118.3	179.9	-172.1	171.6	-68.8	0	0	110.4	F52 M64 E71	F52-Q68 HydrophobicContact CD1-CB 3.9Å; F52-Q68 HydrophobicContact CD1-CG 4.18Å; F52-Q68 HydrophobicContact CE1-CB 3.81Å; F52-Q68 HydrophobicContact CE1-CG 3.83Å; M64-Q68 WeakPolarHBondContact O-CB 3.26Å; M64-Q68 PolarHBondContact O-N 2.89Å; Q68-E71 PolarHBondContact NE2-OE2 2.67Å
69	L	86.4	Confident	74.5	Confident	35 Å²	35	69.1 Å²	69.1	18%	0.183	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-44.1	177.8	-60.5	-172.9	0	0	0	111.6	K39 I51 Y121	K39-L69 HydrophobicContact CD-CD1 4.07Å; K39-L69 HydrophobicContact CG-CD1 4.22Å; I51-L69 HydrophobicContact CB-CB 4.49Å; I51-L69 HydrophobicContact CG2-CB 4.5Å; I51-L69 HydrophobicContact CG2-CD1 4.12Å; I51-L69 PolarHBondContact O-N 2.79Å; L69-Y121 HydrophobicContact CB-CD1 4.41Å; L69-Y121 HydrophobicContact CB-CD2 3.92Å; L69-Y121 HydrophobicContact CB-CE2 4.15Å; L69-Y121 HydrophobicContact CB-CG 4.07Å; L69-Y121 HydrophobicContact CD1-CD1 4.39Å; L69-Y121 HydrophobicContact CD1-CE1 3.93Å; L69-Y121 HydrophobicContact CD1-CE2 4.37Å; L69-Y121 HydrophobicContact CD2-CD2 4.26Å; L69-Y121 HydrophobicContact CD2-CE2 3.66Å; L69-Y121 HydrophobicContact CG-CE2 4.27Å
70	L	88.1	Confident	76.8	Confident	13 Å²	13	63.5 Å²	63.5	7%	0.068	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	151.4	176.9	71.2	89.7	0	0	0	111.3	R50 I51 V72 V108	R50-L70 WeakPolarHBondContact CA-O 3.37Å; I51-L70 HydrophobicContact CB-CD2 4.41Å; I51-L70 HydrophobicContact CB-CG 3.97Å; I51-L70 HydrophobicContact CD1-CD1 4.17Å; I51-L70 HydrophobicContact CD1-CD2 3.6Å; I51-L70 HydrophobicContact CD1-CG 3.94Å; I51-L70 HydrophobicContact CG1-CD1 3.94Å; I51-L70 HydrophobicContact CG1-CD2 4.08Å; I51-L70 HydrophobicContact CG1-CG 3.82Å; I51-L70 PolarHBondContact N-O 3.41Å; I51-L70 PolarHBondContact O-N 2.84Å; L70-V72 HydrophobicContact CD1-CG2 3.9Å; L70-V108 HydrophobicContact CD2-CG1 3.98Å
71	E	90.7	Very high	79.6	Confident	84 Å²	84	58.7 Å²	58.7	39%	0.393	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	123.2	168.8	172	169.7	-155.8	0	0	108.3	M48 L49 R50 Q68	M48-E71 HydrophobicContact CE-CG 3.52Å; M48-E71 WeakPolarHBondContact CE-OE1 3.37Å; L49-E71 WeakPolarHBondContact O-CA 3.32Å; R50-E71 HydrophobicContact CG-CB 4.24Å; R50-E71 HydrophobicContact CG-CG 4.03Å; R50-E71 IonicContact CZ-OE1 2.77Å; R50-E71 VanDerWaalsContact CZ-OE1 3.3Å; R50-E71 IonicContact NE-OE1 2.7Å; R50-E71 PolarHBondContact NE-OE1 2.86Å; R50-E71 IonicContact NH2-OE1 2.72Å; R50-E71 PolarHBondContact NH2-OE1 2.85Å; Q68-E71 PolarHBondContact NE2-OE2 2.67Å
72	V	92.7	Very high	82.2	Confident	48 Å²	48	50.9 Å²	50.9	29%	0.291	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	125.1	-176	178.3	0	0	0	0	109	L49 L70 L74 L123	L49-V72 PolarHBondContact N-O 2.88Å; L49-V72 PolarHBondContact O-N 3.07Å; L70-V72 HydrophobicContact CD1-CG2 3.9Å; V72-L74 HydrophobicContact CG1-CD2 3.94Å; V72-L74 PolarHBondContact O-N 3.29Å; V72-L123 HydrophobicContact CB-CD2 4.46Å; V72-L123 HydrophobicContact CG1-CD2 4.38Å; V72-L123 HydrophobicContact CG2-CD2 4.41Å
73	Q	92.3	Very high	84.7	Confident	118 Å²	118	49.6 Å²	49.6	55%	0.551	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	111.1	170.2	178.7	69.6	71.5	0	0	109.5	M46 M48	M46-Q73 PolarHBondContact O-NE2 2.67Å; M48-Q73 HydrophobicContact SD-CB 3.59Å; M48-Q73 VanDerWaalsContact SD-CB 3.59Å; M48-Q73 HydrophobicContact SD-CG 4.06Å; M48-Q73 PolarHBondContact SD-OE1 3.27Å
74	L	91.8	Very high	86.6	Confident	16 Å²	16	47.5 Å²	47.5	8%	0.084	26%	0.255	C	S	.	.			trans	-86.7	154.5	168.2	-55.3	179.6	0	0	0	109.6	G47 L49 V72 N76 I78 V97 Y106	G47-L74 WeakPolarHBondContact O-CA 3.45Å; G47-L74 WeakPolarHBondContact O-CB 3.47Å; G47-L74 PolarHBondContact O-N 3.14Å; L49-L74 HydrophobicContact CB-CD1 4.43Å; V72-L74 HydrophobicContact CG1-CD2 3.94Å; V72-L74 PolarHBondContact O-N 3.29Å; L74-N76 VanDerWaalsContact C-N 3.28Å; L74-N76 PolarHBondContact O-N 3.19Å; L74-I78 HydrophobicContact CD1-CD1 4.02Å; L74-I78 HydrophobicContact CD1-CG1 4.3Å; L74-V97 HydrophobicContact CD1-CG1 3.97Å; L74-Y106 HydrophobicContact CD1-CE2 4.48Å
75	Q	87.1	Confident	88.4	Confident	186 Å²	186	46.9 Å²	46.9	87%	0.869	25%	0.251	S	S	*	.	S	Bend	trans	-71.2	-20.6	-174.6	-68.2	178.6	-15.2	0	0	114.2
76	N	90.8	Very high	90	Very high	67 Å²	67	43 Å²	43	36%	0.358	22%	0.219	S	C	.	.	S	Bend	trans	-123.6	153.4	-172.9	-65.4	-26.2	0	0	0	110.8	G47 L74 H99	G47-N76 WeakPolarHBondContact CA-O 3.31Å; L74-N76 VanDerWaalsContact C-N 3.28Å; L74-N76 PolarHBondContact O-N 3.19Å; N76-H99 HydrophobicContact CB-CB 4.06Å; N76-H99 PolarHBondContact O-CE1 2.68Å; N76-H99 PolarHBondContact O-ND1 3.21Å
77	A	93.2	Very high	91.3	Very high	32 Å²	32	39.7 Å²	39.7	26%	0.264	20%	0.203	S	C	.	.			trans	-51.8	139.2	171.9	0	0	0	0	0	112.2	Y45 H99 P100	Y45-A77 WeakPolarHBondContact O-CA 3.38Å; Y45-A77 WeakPolarHBondContact O-CB 2.96Å; A77-H99 WeakPolarHBondContact O-CA 3.09Å; A77-H99 PolarHBondContact O-ND1 2.92Å; A77-P100 HydrophobicContact CB-CG 4.4Å; A77-P100 VanDerWaalsContact O-CD 3.29Å; A77-P100 WeakPolarHBondContact O-CD 3.22Å
78	I	96.1	Very high	91.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.			trans	-99.5	111.1	176.8	-60.8	164.9	0	0	0	108.4	S44 Y45 L49 L74 V81 V97	S44-I78 WeakPolarHBondContact O-CB 3.36Å; S44-I78 PolarHBondContact O-N 2.74Å; Y45-I78 VanDerWaalsContact CD1-O 3.28Å; Y45-I78 WeakPolarHBondContact CD1-O 3.26Å; L49-I78 HydrophobicContact CB-CD1 3.88Å; L49-I78 HydrophobicContact CD1-CD1 4.4Å; L74-I78 HydrophobicContact CD1-CD1 4.02Å; L74-I78 HydrophobicContact CD1-CG1 4.3Å; I78-V81 HydrophobicContact CG2-CG2 3.41Å; I78-V81 VanDerWaalsContact CG2-CG2 3.41Å; I78-V97 HydrophobicContact CB-CG1 4.4Å; I78-V97 HydrophobicContact CD1-CG1 4.31Å; I78-V97 HydrophobicContact CG1-CG1 3.86Å; I78-V97 HydrophobicContact CG2-CG1 3.79Å
79	I	94.6	Very high	91.2	Very high	29 Å²	29	46.5 Å²	46.5	15%	0.149	25%	0.253	C	S	.	.			trans	-80.7	-45.1	-179	-61.3	178.4	0	0	0	110.8	L98 P100 A138 C139	I79-L98 HydrophobicContact CB-CD2 4.47Å; I79-L98 HydrophobicContact CG2-CD2 4.44Å; I79-L98 PolarHBondContact N-O 2.97Å; I79-P100 HydrophobicContact CD1-CB 4.17Å; I79-P100 HydrophobicContact CD1-CG 3.88Å; I79-P100 HydrophobicContact CG1-CG 4.3Å; I79-A138 WeakPolarHBondContact CD1-O 3.37Å; I79-C139 WeakPolarHBondContact CG2-O 3.39Å
80	Q	96.5	Very high	91.1	Very high	26 Å²	26	46.2 Å²	46.2	12%	0.121	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	145	-175.4	-173.6	171.6	-12	0	0	110.8	G23 E82 L98 M141	G23-Q80 WeakPolarHBondContact O-CA 3.25Å; Q80-E82 HydrophobicContact CG-CG 4.28Å; Q80-E82 PolarHBondContact NE2-OE1 2.84Å; Q80-L98 HydrophobicContact CB-CB 4.26Å; Q80-L98 HydrophobicContact CB-CD2 4.29Å; Q80-L98 PolarHBondContact O-N 2.87Å; Q80-M141 HydrophobicContact CG-CE 4.31Å; Q80-M141 HydrophobicContact CG-CG 4.28Å; Q80-M141 PolarHBondContact NE2-O 2.99Å; Q80-M141 PolarHBondContact OE1-O 2.57Å
81	V	96.8	Very high	90.9	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.03	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.5	177.2	-175.7	0	0	0	0	109.9	G23 C26 V41 L49 I78 L95 A96	G23-V81 PolarHBondContact O-N 3.23Å; C26-V81 HydrophobicContact CB-CG1 4.4Å; V41-V81 HydrophobicContact CB-CG1 4.48Å; V41-V81 HydrophobicContact CG1-CG1 3.76Å; L49-V81 HydrophobicContact CD1-CG2 4.36Å; I78-V81 HydrophobicContact CG2-CG2 3.41Å; I78-V81 VanDerWaalsContact CG2-CG2 3.41Å; V81-L95 HydrophobicContact CG1-CD1 3.35Å; V81-L95 HydrophobicContact CG1-CG 4.12Å; V81-A96 WeakPolarHBondContact CA-O 3.44Å
82	E	95.8	Very high	90.9	Very high	21 Å²	21	51.5 Å²	51.5	10%	0.098	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	147.9	178.4	-64.5	-175.8	147	0	0	111.6	Q80 F86 A96 M141 Y143	Q80-E82 HydrophobicContact CG-CG 4.28Å; Q80-E82 PolarHBondContact NE2-OE1 2.84Å; E82-F86 HydrophobicContact CB-CZ 4.2Å; E82-A96 PolarHBondContact N-O 3.02Å; E82-A96 PolarHBondContact O-N 3.47Å; E82-M141 HydrophobicContact CB-CE 3.86Å; E82-M141 HydrophobicContact CG-CE 3.67Å; E82-Y143 HydrophobicContact CB-CD1 4.22Å; E82-Y143 HydrophobicContact CB-CE1 4.23Å; E82-Y143 VanDerWaalsContact CD-CD1 3.41Å; E82-Y143 HydrophobicContact CG-CD1 4.28Å; E82-Y143 HydrophobicContact CG-CE1 4.34Å; E82-Y143 WeakPolarHBondContact OE2-CD1 3.49Å
83	V	94.7	Very high	90.8	Very high	13 Å²	13	51.5 Å²	51.5	8%	0.079	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126	176.4	177	0	0	0	0	108.7	V30 L93 H94 L95	V30-V83 HydrophobicContact CB-CG2 4.29Å; V30-V83 HydrophobicContact CG2-CG2 4.16Å; V83-L93 HydrophobicContact CG1-CB 3.9Å; V83-L93 HydrophobicContact CG1-CD1 4.09Å; V83-L93 HydrophobicContact CG1-CG 4.42Å; V83-H94 WeakPolarHBondContact CA-O 3.48Å; V83-L95 HydrophobicContact CG2-CD1 3.74Å
84	G	92.3	Very high	90.9	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.7	177.2	-175.1	0	0	0	0	0	113.9	F86 H94	G84-F86 VanDerWaalsContact C-N 3.35Å; G84-F86 VanDerWaalsContact N-CE2 3.28Å; G84-F86 WeakPolarHBondContact O-CD2 3.07Å; G84-F86 PolarHBondContact O-N 3.29Å; G84-F86 VanDerWaalsContact O-N 3.07Å; G84-H94 PolarHBondContact N-O 3.31Å; G84-H94 PolarHBondContact O-N 3.27Å
85	K	92.8	Very high	91.1	Very high	55 Å²	55	45.6 Å²	45.6	24%	0.239	26%	0.255	C	S	.	.			trans	-83.4	73.2	179.4	-65.7	-171.3	174.8	-166.1	0	111.4	D91 L93 H153	K85-D91 VanDerWaalsContact CE-O 3.32Å; K85-D91 WeakPolarHBondContact CE-O 3.42Å; K85-D91 IonicContact NZ-OD1 2.89Å; K85-D91 PolarHBondContact NZ-OD1 3.3Å; K85-L93 HydrophobicContact CG-CD2 4.17Å; K85-H153 PolarHBondContact N-ND1 3.33Å; K85-H153 PolarHBondContact O-N 2.92Å
86	F	92.5	Very high	91.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.213	C	C	.	.			trans	-89.7	4.6	-171.2	-56.1	-52	0	0	0	115.5	E82 G84 H94 A96 V105 Y127 Y143 H153 L155 Q169	E82-F86 HydrophobicContact CB-CZ 4.2Å; G84-F86 VanDerWaalsContact C-N 3.35Å; G84-F86 VanDerWaalsContact N-CE2 3.28Å; G84-F86 WeakPolarHBondContact O-CD2 3.07Å; G84-F86 PolarHBondContact O-N 3.29Å; G84-F86 VanDerWaalsContact O-N 3.07Å; F86-H94 HydrophobicContact CB-CB 4.36Å; F86-H94 HydrophobicContact CD2-CB 4.18Å; F86-H94 WeakPolarHBondContact CD2-O 3.47Å; F86-H94 WeakPolarHBondContact CE2-O 3.4Å; F86-A96 HydrophobicContact CD2-CB 3.7Å; F86-A96 HydrophobicContact CE2-CB 3.36Å; F86-A96 HydrophobicContact CG-CB 4.47Å; F86-A96 HydrophobicContact CZ-CB 3.9Å; F86-V105 HydrophobicContact CB-CG1 3.88Å; F86-V105 HydrophobicContact CB-CG2 4.45Å; F86-V105 HydrophobicContact CD2-CG1 4.47Å; F86-Y127 WeakPolarHBondContact O-CE1 3.35Å; F86-Y127 PolarHBondContact O-OH 3.42Å; F86-Y143 HydrophobicContact CE1-CD2 4.27Å; F86-Y143 HydrophobicContact CE1-CG 4.06Å; F86-Y143 HydrophobicContact CZ-CG 4.26Å; F86-H153 HydrophobicContact CD1-CB 4.05Å; F86-H153 HydrophobicContact CE1-CB 4.05Å; F86-L155 HydrophobicContact CD1-CD1 3.98Å; F86-L155 HydrophobicContact CD1-CD2 4.24Å; F86-L155 HydrophobicContact CD1-CG 3.99Å; F86-L155 HydrophobicContact CE1-CD1 4.25Å; F86-L155 HydrophobicContact CE1-CD2 3.7Å; F86-L155 HydrophobicContact CE1-CG 3.95Å; F86-L155 HydrophobicContact CG-CD1 4.38Å; F86-L155 HydrophobicContact CZ-CD2 4.15Å; F86-Q169 WeakPolarHBondContact O-CG 3.32Å
87	V	89.1	Confident	91.8	Very high	30 Å²	30	33.5 Å²	33.5	18%	0.182	20%	0.196	C	C	.	.	S	Bend	trans	-121.9	131.5	-177.2	179.4	0	0	0	0	110.1	S90 H94 V126 Y127	V87-S90 PolarHBondContact O-N 3.33Å; V87-H94 VanDerWaalsContact CG2-CD2 3.48Å; V87-H94 WeakPolarHBondContact CG2-CD2 3.15Å; V87-H94 WeakPolarHBondContact CG2-NE2 3.35Å; V87-V126 HydrophobicContact CG2-CG1 3.89Å; V87-Y127 HydrophobicContact CG2-CE1 4.2Å
88	S	83.1	Confident	91.9	Very high	54 Å²	54	32 Å²	32	38%	0.378	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	140.7	-179.9	-58.6	0	0	0	0	111.6	S90 Q169	S88-S90 PolarHBondContact O-N 2.61Å; S88-S90 VanDerWaalsContact O-N 3.13Å; S88-Q169 VanDerWaalsContact OG-CD 3.28Å; S88-Q169 VanDerWaalsContact OG-CG 3.26Å; S88-Q169 WeakPolarHBondContact OG-CG 3.44Å; S88-Q169 PolarHBondContact OG-OE1 3.32Å; S88-Q169 VanDerWaalsContact OG-OE1 3.05Å
89	C	78.8	Confident	91.9	Very high	143 Å²	143	32 Å²	32	97%	0.966	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	16.6	178.2	-53.4	0	0	0	0	115.2
90	S	84.1	Confident	91.8	Very high	29 Å²	29	32.6 Å²	32.6	20%	0.203	19%	0.19	C	C	.	.			trans	-120.2	131.5	173	-176.8	0	0	0	0	110.1	V87 S88 L92	V87-S90 PolarHBondContact O-N 3.33Å; S88-S90 PolarHBondContact O-N 2.61Å; S88-S90 VanDerWaalsContact O-N 3.13Å; S90-L92 VanDerWaalsContact C-N 3.27Å; S90-L92 PolarHBondContact OG-N 3.41Å
91	D	83.9	Confident	91.5	Very high	122 Å²	122	37 Å²	37	65%	0.652	21%	0.205	S	C	*	.			trans	-85.5	-1.7	173.7	-85.1	-47.2	0	0	0	113.4	K85	K85-D91 VanDerWaalsContact CE-O 3.32Å; K85-D91 WeakPolarHBondContact CE-O 3.42Å; K85-D91 IonicContact NZ-OD1 2.89Å; K85-D91 PolarHBondContact NZ-OD1 3.3Å
92	L	89.6	Confident	91.3	Very high	87 Å²	87	38.1 Å²	38.1	46%	0.455	21%	0.209	S	C	.	.	S	Bend	trans	-75.2	147.7	-178.8	-57.5	177.7	0	0	0	111.7	N32 S90 H94	N32-L92 HydrophobicContact CB-CD2 4.02Å; S90-L92 VanDerWaalsContact C-N 3.27Å; S90-L92 PolarHBondContact OG-N 3.41Å; L92-H94 PolarHBondContact O-CE1 3.46Å; L92-H94 PolarHBondContact O-ND1 3.38Å
93	L	91.8	Very high	91.2	Very high	48 Å²	48	37.1 Å²	37.1	25%	0.251	21%	0.205	S	C	.	.			trans	-77.2	135.6	170.1	-61.8	178.7	0	0	0	110	N32 V83 K85	N32-L93 PolarHBondContact ND2-O 3.3Å; N32-L93 PolarHBondContact OD1-N 3.28Å; V83-L93 HydrophobicContact CG1-CB 3.9Å; V83-L93 HydrophobicContact CG1-CD1 4.09Å; V83-L93 HydrophobicContact CG1-CG 4.42Å; K85-L93 HydrophobicContact CG-CD2 4.17Å
94	H	94.3	Very high	91.1	Very high	9 Å²	9	36.5 Å²	36.5	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	157.7	178.6	-60.6	78.6	0	0	0	109.1	V83 G84 F86 V87 L92 V105	V83-H94 WeakPolarHBondContact CA-O 3.48Å; G84-H94 PolarHBondContact N-O 3.31Å; G84-H94 PolarHBondContact O-N 3.27Å; F86-H94 HydrophobicContact CB-CB 4.36Å; F86-H94 HydrophobicContact CD2-CB 4.18Å; F86-H94 WeakPolarHBondContact CD2-O 3.47Å; F86-H94 WeakPolarHBondContact CE2-O 3.4Å; V87-H94 VanDerWaalsContact CG2-CD2 3.48Å; V87-H94 WeakPolarHBondContact CG2-CD2 3.15Å; V87-H94 WeakPolarHBondContact CG2-NE2 3.35Å; L92-H94 PolarHBondContact O-CE1 3.46Å; L92-H94 PolarHBondContact O-ND1 3.38Å; H94-V105 HydrophobicContact CB-CG1 3.98Å
95	L	95.5	Very high	91.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	113.4	-179.3	-173	66.5	0	0	0	110.3	V30 V41 L49 I51 V81 V83 V97 V105 Y106 L123	V30-L95 HydrophobicContact CG2-CB 3.99Å; V30-L95 HydrophobicContact CG2-CD1 4.22Å; V41-L95 HydrophobicContact CG1-CD1 4.05Å; V41-L95 HydrophobicContact CG1-CD2 4.25Å; V41-L95 HydrophobicContact CG2-CD1 4.38Å; L49-L95 HydrophobicContact CD1-CD2 4.31Å; L49-L95 HydrophobicContact CD2-CD2 3.79Å; I51-L95 HydrophobicContact CD1-CD2 4.39Å; V81-L95 HydrophobicContact CG1-CD1 3.35Å; V81-L95 HydrophobicContact CG1-CG 4.12Å; V83-L95 HydrophobicContact CG2-CD1 3.74Å; L95-V97 HydrophobicContact CD2-CG2 4.19Å; L95-V97 HydrophobicContact CG-CG2 4.09Å; L95-V105 WeakPolarHBondContact O-CA 3.49Å; L95-Y106 PolarHBondContact N-O 3.48Å; L95-Y106 PolarHBondContact O-N 2.94Å; L95-L123 HydrophobicContact CD2-CD1 4.39Å
96	A	95.6	Very high	91.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.9	170	0	0	0	0	0	109.8	V81 E82 F86 L103 V105 M141 L155	V81-A96 WeakPolarHBondContact CA-O 3.44Å; E82-A96 PolarHBondContact N-O 3.02Å; E82-A96 PolarHBondContact O-N 3.47Å; F86-A96 HydrophobicContact CD2-CB 3.7Å; F86-A96 HydrophobicContact CE2-CB 3.36Å; F86-A96 HydrophobicContact CG-CB 4.47Å; F86-A96 HydrophobicContact CZ-CB 3.9Å; A96-L103 HydrophobicContact CB-CD1 4.37Å; A96-V105 HydrophobicContact CB-CG2 4.27Å; A96-M141 HydrophobicContact CB-CE 3.92Å; A96-L155 HydrophobicContact CB-CD1 4.27Å
97	V	96.4	Very high	91.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	115.7	177.9	-177.3	0	0	0	0	108.6	L49 L74 I78 L95 S104 Y106	L49-V97 HydrophobicContact CD2-CG2 4.26Å; L74-V97 HydrophobicContact CD1-CG1 3.97Å; I78-V97 HydrophobicContact CB-CG1 4.4Å; I78-V97 HydrophobicContact CD1-CG1 4.31Å; I78-V97 HydrophobicContact CG1-CG1 3.86Å; I78-V97 HydrophobicContact CG2-CG1 3.79Å; L95-V97 HydrophobicContact CD2-CG2 4.19Å; L95-V97 HydrophobicContact CG-CG2 4.09Å; V97-S104 PolarHBondContact N-O 3.11Å; V97-S104 PolarHBondContact O-N 2.85Å; V97-Y106 HydrophobicContact CB-CD2 4.36Å; V97-Y106 HydrophobicContact CB-CE2 4.07Å; V97-Y106 HydrophobicContact CG2-CD2 3.8Å; V97-Y106 HydrophobicContact CG2-CE2 3.9Å
98	L	95.9	Very high	91.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	126.4	177.3	-175.6	66.3	0	0	0	110.6	I79 Q80 L103 A138 M141 I157	I79-L98 HydrophobicContact CB-CD2 4.47Å; I79-L98 HydrophobicContact CG2-CD2 4.44Å; I79-L98 PolarHBondContact N-O 2.97Å; Q80-L98 HydrophobicContact CB-CB 4.26Å; Q80-L98 HydrophobicContact CB-CD2 4.29Å; Q80-L98 PolarHBondContact O-N 2.87Å; L98-L103 HydrophobicContact CD1-CB 4.5Å; L98-L103 HydrophobicContact CD1-CD1 4.49Å; L98-A138 HydrophobicContact CD1-CB 3.95Å; L98-A138 HydrophobicContact CD2-CB 4.12Å; L98-A138 HydrophobicContact CG-CB 4.26Å; L98-M141 HydrophobicContact CB-CE 4.07Å; L98-M141 HydrophobicContact CB-SD 3.79Å; L98-M141 HydrophobicContact CD1-SD 4.46Å; L98-M141 HydrophobicContact CD2-CB 4Å; L98-M141 HydrophobicContact CD2-CG 4.03Å; L98-M141 HydrophobicContact CD2-SD 4.24Å; L98-M141 HydrophobicContact CG-SD 4.39Å; L98-I157 HydrophobicContact CD1-CD1 3.77Å; L98-I157 HydrophobicContact CD1-CG1 4.27Å; L98-I157 HydrophobicContact CD1-CG2 4.3Å
99	H	94.8	Very high	91.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	168.6	169.4	-56.3	-78.4	0	0	0	110	N76 A77 R101 K102	N76-H99 HydrophobicContact CB-CB 4.06Å; N76-H99 PolarHBondContact O-CE1 2.68Å; N76-H99 PolarHBondContact O-ND1 3.21Å; A77-H99 WeakPolarHBondContact O-CA 3.09Å; A77-H99 PolarHBondContact O-ND1 2.92Å; H99-R101 PolarHBondContact O-N 3.48Å; H99-K102 WeakPolarHBondContact CA-O 3.22Å; H99-K102 HydrophobicContact CB-CB 4.04Å; H99-K102 VanDerWaalsContact CB-O 3.3Å; H99-K102 WeakPolarHBondContact CB-O 3.33Å; H99-K102 WeakPolarHBondContact CD2-CE 3.06Å; H99-K102 PolarHBondContact N-O 3.02Å; H99-K102 PolarHBondContact O-N 2.88Å
100	P	92.6	Very high	91.8	Very high	42 Å²	42	29.8 Å²	29.8	27%	0.273	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-35.4	-179.5	-28.8	32.6	0	0	0	115.1	A77 I79 T137 A138	A77-P100 HydrophobicContact CB-CG 4.4Å; A77-P100 VanDerWaalsContact O-CD 3.29Å; A77-P100 WeakPolarHBondContact O-CD 3.22Å; I79-P100 HydrophobicContact CD1-CB 4.17Å; I79-P100 HydrophobicContact CD1-CG 3.88Å; I79-P100 HydrophobicContact CG1-CG 4.3Å; P100-T137 HydrophobicContact CB-CG2 4.06Å; P100-T137 CarbonylContact O-C 3.59Å; P100-T137 WeakPolarHBondContact O-CA 3.13Å; P100-A138 PolarHBondContact O-N 3.49Å
101	R	91.5	Very high	91.5	Very high	119 Å²	119	32.5 Å²	32.5	45%	0.449	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.8	22.9	-177.8	-66.3	-170.7	171.5	-163	-3.5	113.8	H99 T137	H99-R101 PolarHBondContact O-N 3.48Å; R101-T137 PolarHBondContact NE-OG1 3.36Å
102	K	92	Very high	90.8	Very high	28 Å²	28	30.9 Å²	30.9	12%	0.122	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	132.6	-170.3	-174.6	-176.9	98.8	134.3	0	110.3	H99 S104 E128 H129 N130	H99-K102 WeakPolarHBondContact CA-O 3.22Å; H99-K102 HydrophobicContact CB-CB 4.04Å; H99-K102 VanDerWaalsContact CB-O 3.3Å; H99-K102 WeakPolarHBondContact CB-O 3.33Å; H99-K102 WeakPolarHBondContact CD2-CE 3.06Å; H99-K102 PolarHBondContact N-O 3.02Å; H99-K102 PolarHBondContact O-N 2.88Å; K102-S104 VanDerWaalsContact CE-OG 3.26Å; K102-S104 WeakPolarHBondContact CE-OG 3.5Å; K102-S104 PolarHBondContact NZ-OG 3.5Å; K102-E128 HydrophobicContact CD-CG 4.45Å; K102-E128 WeakPolarHBondContact CD-OE1 3.08Å; K102-E128 WeakPolarHBondContact CE-OE1 3.35Å; K102-E128 HydrophobicContact CG-CG 3.96Å; K102-E128 WeakPolarHBondContact CG-OE1 3.39Å; K102-E128 IonicContact NZ-OE1 3.94Å; K102-E128 PolarHBondContact NZ-OE1 2.82Å; K102-H129 WeakPolarHBondContact CA-O 3.33Å; K102-N130 WeakPolarHBondContact CD-OD1 3.39Å; K102-N130 WeakPolarHBondContact CG-OD1 3.45Å
103	L	93.8	Very high	89.6	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.9	170.2	169.4	71.1	0	0	0	107.8	A96 L98 E128 H129 L134 M141 L155 I157	A96-L103 HydrophobicContact CB-CD1 4.37Å; L98-L103 HydrophobicContact CD1-CB 4.5Å; L98-L103 HydrophobicContact CD1-CD1 4.49Å; L103-E128 WeakPolarHBondContact O-CA 3.3Å; L103-H129 HydrophobicContact CB-CB 4.31Å; L103-H129 PolarHBondContact N-O 2.69Å; L103-H129 PolarHBondContact O-N 2.89Å; L103-L134 HydrophobicContact CB-CD1 4.32Å; L103-M141 HydrophobicContact CD1-SD 4Å; L103-L155 HydrophobicContact CD1-CD1 4.3Å; L103-L155 HydrophobicContact CD2-CD1 3.7Å; L103-I157 HydrophobicContact CB-CD1 4.08Å; L103-I157 HydrophobicContact CD2-CD1 4.03Å; L103-I157 HydrophobicContact CG-CD1 4.47Å
104	S	93.6	Very high	87.9	Confident	0 Å²	0	34 Å²	34	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129	-179.8	-55.5	0	0	0	0	109.4	V97 K102 E128	V97-S104 PolarHBondContact N-O 3.11Å; V97-S104 PolarHBondContact O-N 2.85Å; K102-S104 VanDerWaalsContact CE-OG 3.26Å; K102-S104 WeakPolarHBondContact CE-OG 3.5Å; K102-S104 PolarHBondContact NZ-OG 3.5Å; S104-E128 PolarHBondContact OG-OE1 2.93Å
105	V	94.6	Very high	85.8	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.4	176.8	177.2	0	0	0	0	109.5	F86 H94 L95 A96 V126 Y127	F86-V105 HydrophobicContact CB-CG1 3.88Å; F86-V105 HydrophobicContact CB-CG2 4.45Å; F86-V105 HydrophobicContact CD2-CG1 4.47Å; H94-V105 HydrophobicContact CB-CG1 3.98Å; L95-V105 WeakPolarHBondContact O-CA 3.49Å; A96-V105 HydrophobicContact CB-CG2 4.27Å; V105-V126 PolarHBondContact O-N 3.06Å; V105-Y127 HydrophobicContact CB-CD1 4.28Å; V105-Y127 HydrophobicContact CB-CD2 4.3Å; V105-Y127 HydrophobicContact CB-CE1 3.89Å; V105-Y127 HydrophobicContact CB-CE2 3.91Å; V105-Y127 HydrophobicContact CB-CG 4.48Å; V105-Y127 HydrophobicContact CG1-CE1 3.94Å; V105-Y127 HydrophobicContact CG2-CD2 4.3Å; V105-Y127 HydrophobicContact CG2-CE1 4.19Å; V105-Y127 HydrophobicContact CG2-CE2 3.53Å; V105-Y127 VanDerWaalsContact CG2-CZ 3.47Å; V105-Y127 PolarHBondContact N-O 3.49Å
106	Y	94.4	Very high	83.4	Confident	18 Å²	18	48.4 Å²	48.4	7%	0.071	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	145.2	-175	-60.2	-83.9	0	0	0	111.7	L74 L95 V97 L123 K124 L125	L74-Y106 HydrophobicContact CD1-CE2 4.48Å; L95-Y106 PolarHBondContact N-O 3.48Å; L95-Y106 PolarHBondContact O-N 2.94Å; V97-Y106 HydrophobicContact CB-CD2 4.36Å; V97-Y106 HydrophobicContact CB-CE2 4.07Å; V97-Y106 HydrophobicContact CG2-CD2 3.8Å; V97-Y106 HydrophobicContact CG2-CE2 3.9Å; Y106-L123 VanDerWaalsContact CB-CD1 3.47Å; Y106-L123 HydrophobicContact CD1-CD1 4.22Å; Y106-L123 HydrophobicContact CD1-CD2 3.88Å; Y106-L123 HydrophobicContact CD1-CG 3.64Å; Y106-L123 HydrophobicContact CD2-CD2 4.4Å; Y106-L123 HydrophobicContact CE1-CD2 4.1Å; Y106-L123 HydrophobicContact CE1-CG 4.31Å; Y106-L123 HydrophobicContact CG-CD1 3.86Å; Y106-L123 HydrophobicContact CG-CD2 4.04Å; Y106-L123 HydrophobicContact CG-CG 3.8Å; Y106-K124 CarbonylContact C-O 3.54Å; Y106-K124 VanDerWaalsContact CA-O 3.32Å; Y106-K124 WeakPolarHBondContact CA-O 3.3Å; Y106-L125 HydrophobicContact CD1-CB 4Å; Y106-L125 HydrophobicContact CD1-CD1 3.92Å; Y106-L125 HydrophobicContact CE1-CB 3.87Å; Y106-L125 HydrophobicContact CE1-CD1 3.54Å; Y106-L125 HydrophobicContact CE1-CG 4.29Å
107	S	93	Very high	81.1	Confident	21 Å²	21	56.3 Å²	56.3	15%	0.147	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125.7	164.7	-175.3	0	0	0	0	108.2	K124	S107-K124 PolarHBondContact N-O 3.41Å; S107-K124 PolarHBondContact O-N 2.83Å
108	V	91.1	Very high	79.4	Confident	3 Å²	3	59 Å²	59	2%	0.018	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	121.6	174	-178.8	0	0	0	0	107.9	V30 I51 L70 Y121 L123	V30-V108 HydrophobicContact CG2-CB 4.27Å; V30-V108 HydrophobicContact CG2-CG2 3.79Å; I51-V108 HydrophobicContact CD1-CG1 4.27Å; I51-V108 HydrophobicContact CD1-CG2 3.84Å; L70-V108 HydrophobicContact CD2-CG1 3.98Å; V108-Y121 HydrophobicContact CG1-CD1 4.26Å; V108-L123 HydrophobicContact CG2-CD1 3.72Å
109	T	86.4	Confident	78.2	Confident	59 Å²	59	63.6 Å²	63.6	36%	0.362	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	123.3	178.8	53.9	0	0	0	0	110.2	Q122	T109-Q122 PolarHBondContact N-O 3Å; T109-Q122 VanDerWaalsContact N-O 3.07Å; T109-Q122 PolarHBondContact O-N 2.89Å
110	G	82.7	Confident	77.4	Confident	41 Å²	41	69.4 Å²	69.4	42%	0.423	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.1	171.1	0	0	0	0	0	111.1
111	T	78.2	Confident	77	Confident	85 Å²	85	69.8 Å²	69.8	52%	0.521	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	118.7	170.5	-53.4	0	0	0	0	108.6	G113 Q120	T111-G113 PolarHBondContact O-N 3.46Å; T111-Q120 PolarHBondContact N-O 2.92Å; T111-Q120 PolarHBondContact O-N 3.28Å
112	S	69.5	Low	76.8	Confident	88 Å²	88	69.5 Å²	69.5	62%	0.615	40%	0.396	S	S	*	.			trans	-67.3	125.6	179.9	54.3	0	0	0	0	111.3	D119	S112-D119 VanDerWaalsContact CA-OD1 3.31Å; S112-D119 WeakPolarHBondContact CA-OD1 3.23Å
113	G	63.4	Low	76.7	Confident	39 Å²	39	70 Å²	70	40%	0.402	40%	0.4	S	S	.	.			trans	-78.3	142.1	178.8	0	0	0	0	0	112.3	T111 D119	T111-G113 PolarHBondContact O-N 3.46Å; G113-D119 PolarHBondContact N-OD1 3.14Å
114	N	56.4	Low	76.6	Confident	163 Å²	163	77 Å²	77	87%	0.872	43%	0.43	S	S	*	.	S	Bend	trans	-86.9	-9.2	-178.9	-83	-13	0	0	0	114.8
115	V	50.5	Low	76.6	Confident	117 Å²	117	80.6 Å²	80.6	71%	0.709	45%	0.449	S	S	*	.	S	Bend	trans	-153.8	151.6	177.5	-166.5	0	0	0	0	110.2	H117	V115-H117 CarbonylContact O-C 3.59Å; V115-H117 PolarHBondContact O-N 3.01Å
116	E	45.6	Very low	76.5	Confident	193 Å²	193	83.7 Å²	83.7	90%	0.902	47%	0.468	S	S	*	.	S	Bend	trans	2.7	-15.3	173.3	-65.6	-174.6	166	0	0	123.6
117	H	47.8	Very low	76.3	Confident	167 Å²	167	84.3 Å²	84.3	77%	0.773	47%	0.471	S	S	*	.	S	Bend	trans	-100	102.7	161.7	-60	-53.7	0	0	0	107.8	V115	V115-H117 CarbonylContact O-C 3.59Å; V115-H117 PolarHBondContact O-N 3.01Å
118	G	60.2	Low	76.2	Confident	55 Å²	55	85.9 Å²	85.9	57%	0.567	48%	0.476	S	S	*	.			trans	-57	-172.7	-166.6	0	0	0	0	0	117.6	Q120	G118-Q120 PolarHBondContact O-N 3.08Å
119	D	69.4	Low	76	Confident	97 Å²	97	85.8 Å²	85.8	52%	0.519	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-49.2	127	-174.9	-59.5	-24.2	0	0	0	112.7	S112 G113 Y121	S112-D119 VanDerWaalsContact CA-OD1 3.31Å; S112-D119 WeakPolarHBondContact CA-OD1 3.23Å; G113-D119 PolarHBondContact N-OD1 3.14Å; D119-Y121 HydrophobicContact CB-CE2 3.89Å
120	Q	78.1	Confident	75.5	Confident	122 Å²	122	86.5 Å²	86.5	57%	0.57	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	121	179.2	-68.7	-174.1	-4.8	0	0	110.2	T111 G118	T111-Q120 PolarHBondContact N-O 2.92Å; T111-Q120 PolarHBondContact O-N 3.28Å; G118-Q120 PolarHBondContact O-N 3.08Å
121	Y	85.1	Confident	74.4	Confident	50 Å²	50	90.8 Å²	90.8	20%	0.196	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	131.7	173.7	-70.4	-97	0	0	0	110.5	D31 L69 V108 D119	D31-Y121 HydrophobicContact CB-CE1 4.08Å; L69-Y121 HydrophobicContact CB-CD1 4.41Å; L69-Y121 HydrophobicContact CB-CD2 3.92Å; L69-Y121 HydrophobicContact CB-CE2 4.15Å; L69-Y121 HydrophobicContact CB-CG 4.07Å; L69-Y121 HydrophobicContact CD1-CD1 4.39Å; L69-Y121 HydrophobicContact CD1-CE1 3.93Å; L69-Y121 HydrophobicContact CD1-CE2 4.37Å; L69-Y121 HydrophobicContact CD2-CD2 4.26Å; L69-Y121 HydrophobicContact CD2-CE2 3.66Å; L69-Y121 HydrophobicContact CG-CE2 4.27Å; V108-Y121 HydrophobicContact CG1-CD1 4.26Å; D119-Y121 HydrophobicContact CB-CE2 3.89Å
122	Q	86.3	Confident	73.3	Confident	114 Å²	114	94.4 Å²	94.4	53%	0.533	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136.7	176.4	-65.3	-175.9	-1.4	0	0	110.3	T109	T109-Q122 PolarHBondContact N-O 3Å; T109-Q122 VanDerWaalsContact N-O 3.07Å; T109-Q122 PolarHBondContact O-N 2.89Å
123	L	91.2	Very high	73	Confident	39 Å²	39	92.9 Å²	92.9	20%	0.204	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	104.3	174.3	-170.6	73.6	0	0	0	108.9	L49 V72 L95 Y106 V108	L49-L123 HydrophobicContact CD2-CD1 4.44Å; L49-L123 HydrophobicContact CD2-CD2 3.84Å; V72-L123 HydrophobicContact CB-CD2 4.46Å; V72-L123 HydrophobicContact CG1-CD2 4.38Å; V72-L123 HydrophobicContact CG2-CD2 4.41Å; L95-L123 HydrophobicContact CD2-CD1 4.39Å; Y106-L123 VanDerWaalsContact CB-CD1 3.47Å; Y106-L123 HydrophobicContact CD1-CD1 4.22Å; Y106-L123 HydrophobicContact CD1-CD2 3.88Å; Y106-L123 HydrophobicContact CD1-CG 3.64Å; Y106-L123 HydrophobicContact CD2-CD2 4.4Å; Y106-L123 HydrophobicContact CE1-CD2 4.1Å; Y106-L123 HydrophobicContact CE1-CG 4.31Å; Y106-L123 HydrophobicContact CG-CD1 3.86Å; Y106-L123 HydrophobicContact CG-CD2 4.04Å; Y106-L123 HydrophobicContact CG-CG 3.8Å; V108-L123 HydrophobicContact CG2-CD1 3.72Å
124	K	92.2	Very high	73.6	Confident	146 Å²	146	91 Å²	91	64%	0.635	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	120.3	-178.4	-173.4	179.2	179.2	-177.2	0	110.7	Y106 S107 V126	Y106-K124 CarbonylContact C-O 3.54Å; Y106-K124 VanDerWaalsContact CA-O 3.32Å; Y106-K124 WeakPolarHBondContact CA-O 3.3Å; S107-K124 PolarHBondContact N-O 3.41Å; S107-K124 PolarHBondContact O-N 2.83Å; K124-V126 PolarHBondContact O-N 2.75Å
125	L	92.3	Very high	74.5	Confident	76 Å²	76	90.4 Å²	90.4	40%	0.398	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	125.4	173.4	-175.7	68.2	0	0	0	109.9	Y106 Y127 E128	Y106-L125 HydrophobicContact CD1-CB 4Å; Y106-L125 HydrophobicContact CD1-CD1 3.92Å; Y106-L125 HydrophobicContact CE1-CB 3.87Å; Y106-L125 HydrophobicContact CE1-CD1 3.54Å; Y106-L125 HydrophobicContact CE1-CG 4.29Å; L125-Y127 WeakPolarHBondContact CD1-O 3.41Å; L125-E128 HydrophobicContact CD1-CB 4.35Å; L125-E128 HydrophobicContact CD2-CB 4.35Å
126	V	92.1	Very high	76.3	Confident	65 Å²	65	88.1 Å²	88.1	39%	0.394	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-55.7	177.1	-173	0	0	0	0	109.9	V87 V105 K124	V87-V126 HydrophobicContact CG2-CG1 3.89Å; V105-V126 PolarHBondContact O-N 3.06Å; K124-V126 PolarHBondContact O-N 2.75Å
127	Y	91.5	Very high	78.6	Confident	31 Å²	31	81.2 Å²	81.2	12%	0.122	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	164.9	174.3	63	-97.5	0	0	0	110.3	F86 V87 V105 L125 H129 Q169 D170	F86-Y127 WeakPolarHBondContact O-CE1 3.35Å; F86-Y127 PolarHBondContact O-OH 3.42Å; V87-Y127 HydrophobicContact CG2-CE1 4.2Å; V105-Y127 HydrophobicContact CB-CD1 4.28Å; V105-Y127 HydrophobicContact CB-CD2 4.3Å; V105-Y127 HydrophobicContact CB-CE1 3.89Å; V105-Y127 HydrophobicContact CB-CE2 3.91Å; V105-Y127 HydrophobicContact CB-CG 4.48Å; V105-Y127 HydrophobicContact CG1-CE1 3.94Å; V105-Y127 HydrophobicContact CG2-CD2 4.3Å; V105-Y127 HydrophobicContact CG2-CE1 4.19Å; V105-Y127 HydrophobicContact CG2-CE2 3.53Å; V105-Y127 VanDerWaalsContact CG2-CZ 3.47Å; V105-Y127 PolarHBondContact N-O 3.49Å; L125-Y127 WeakPolarHBondContact CD1-O 3.41Å; Y127-H129 AromaticContact CD2-CD2 3.9Å; Y127-H129 AromaticContact CD2-NE2 3.65Å; Y127-H129 AromaticContact CE2-CD2 3.83Å; Y127-H129 AromaticContact CE2-NE2 3.54Å; Y127-Q169 WeakPolarHBondContact CE2-O 3.22Å; Y127-Q169 PolarHBondContact OH-O 3.06Å; Y127-D170 HydrophobicContact CD1-CB 4.15Å; Y127-D170 HydrophobicContact CD2-CB 4.2Å; Y127-D170 HydrophobicContact CG-CB 3.92Å
128	E	90	Very high	80.7	Confident	54 Å²	54	73.3 Å²	73.3	25%	0.252	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	134.5	-179	-175.8	172.3	-128.8	0	0	111	K102 L103 S104 L125 N130	K102-E128 HydrophobicContact CD-CG 4.45Å; K102-E128 WeakPolarHBondContact CD-OE1 3.08Å; K102-E128 WeakPolarHBondContact CE-OE1 3.35Å; K102-E128 HydrophobicContact CG-CG 3.96Å; K102-E128 WeakPolarHBondContact CG-OE1 3.39Å; K102-E128 IonicContact NZ-OE1 3.94Å; K102-E128 PolarHBondContact NZ-OE1 2.82Å; L103-E128 WeakPolarHBondContact O-CA 3.3Å; S104-E128 PolarHBondContact OG-OE1 2.93Å; L125-E128 HydrophobicContact CD1-CB 4.35Å; L125-E128 HydrophobicContact CD2-CB 4.35Å; E128-N130 WeakPolarHBondContact CG-OD1 3.45Å; E128-N130 PolarHBondContact OE1-OD1 3.4Å; E128-N130 PolarHBondContact OE2-ND2 3.27Å; E128-N130 PolarHBondContact OE2-OD1 2.99Å
129	H	86.6	Confident	82.4	Confident	1 Å²	1	72.4 Å²	72.4	1%	0.005	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	97.9	167.2	-63	-82.8	0	0	0	108.7	K102 L103 Y127 N133 L134 F167 Q169 D170	K102-H129 WeakPolarHBondContact CA-O 3.33Å; L103-H129 HydrophobicContact CB-CB 4.31Å; L103-H129 PolarHBondContact N-O 2.69Å; L103-H129 PolarHBondContact O-N 2.89Å; Y127-H129 AromaticContact CD2-CD2 3.9Å; Y127-H129 AromaticContact CD2-NE2 3.65Å; Y127-H129 AromaticContact CE2-CD2 3.83Å; Y127-H129 AromaticContact CE2-NE2 3.54Å; H129-N133 HydrophobicContact CB-CB 3.85Å; H129-N133 PolarHBondContact ND1-ND2 2.67Å; H129-L134 HydrophobicContact CB-CD1 4.12Å; H129-F167 HydrophobicContact CB-CE1 4.1Å; H129-F167 AromaticContact CD2-CD1 3.98Å; H129-F167 AromaticContact CE1-CD1 3.71Å; H129-F167 AromaticContact CG-CD1 3.81Å; H129-F167 AromaticContact CG-CE1 3.82Å; H129-F167 AromaticContact ND1-CD1 3.64Å; H129-F167 AromaticContact ND1-CE1 3.75Å; H129-F167 AromaticContact NE2-CD1 3.93Å; H129-Q169 PolarHBondContact NE2-O 3.31Å; H129-D170 PolarHBondContact CE1-O 2.91Å
130	N	76.1	Confident	83.6	Confident	74 Å²	74	68.8 Å²	68.8	40%	0.396	33%	0.333	S	S	.	.			trans	-81.8	-174.6	179.9	-80.5	-43.7	0	0	0	112.5	K102 E128 H132 N133 L134	K102-N130 WeakPolarHBondContact CD-OD1 3.39Å; K102-N130 WeakPolarHBondContact CG-OD1 3.45Å; E128-N130 WeakPolarHBondContact CG-OD1 3.45Å; E128-N130 PolarHBondContact OE1-OD1 3.4Å; E128-N130 PolarHBondContact OE2-ND2 3.27Å; E128-N130 PolarHBondContact OE2-OD1 2.99Å; N130-H132 PolarHBondContact O-N 3.1Å; N130-N133 WeakPolarHBondContact O-CA 3.36Å; N130-N133 PolarHBondContact O-N 3.28Å; N130-L134 PolarHBondContact O-N 2.9Å
131	Q	59.9	Low	84.4	Confident	130 Å²	130	63.1 Å²	63.1	61%	0.607	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-18.6	-177.1	-164.5	170.6	-4.6	0	0	115.4
132	H	55.9	Low	84.9	Confident	161 Å²	161	61.3 Å²	61.3	75%	0.745	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-31.4	171.5	-168.9	-81.6	0	0	0	112.7	N130	N130-H132 PolarHBondContact O-N 3.1Å
133	N	61.8	Low	85.3	Confident	56 Å²	56	60 Å²	60	30%	0.299	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-33.7	-177.8	-64.7	-11.3	0	0	0	112.2	H129 N130 F167	H129-N133 HydrophobicContact CB-CB 3.85Å; H129-N133 PolarHBondContact ND1-ND2 2.67Å; N130-N133 WeakPolarHBondContact O-CA 3.36Å; N130-N133 PolarHBondContact O-N 3.28Å; N133-F167 HydrophobicContact CB-CE1 4.42Å
134	L	76.8	Confident	85.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.285	C	S	.	.			trans	-100.9	83.1	167	-98.8	84.9	0	0	0	110.2	L103 H129 N130 R136 A138 I157 M165 F167	L103-L134 HydrophobicContact CB-CD1 4.32Å; H129-L134 HydrophobicContact CB-CD1 4.12Å; N130-L134 PolarHBondContact O-N 2.9Å; L134-R136 PolarHBondContact O-N 3.29Å; L134-A138 HydrophobicContact CD2-CB 4.13Å; L134-I157 HydrophobicContact CD1-CD1 3.9Å; L134-I157 HydrophobicContact CD2-CD1 4.17Å; L134-I157 HydrophobicContact CG-CD1 4.44Å; L134-M165 HydrophobicContact CG-CE 4.31Å; L134-F167 HydrophobicContact CD1-CE1 4.2Å; L134-F167 HydrophobicContact CD1-CE2 4.23Å; L134-F167 HydrophobicContact CD1-CZ 3.57Å; L134-F167 HydrophobicContact CG-CZ 4.5Å
135	Q	76.4	Confident	85.3	Confident	151 Å²	151	53.6 Å²	53.6	71%	0.706	27%	0.267	S	S	*	.			trans	-69.4	-21.9	177.7	-63.4	-178.1	-3.8	0	0	112.7
136	R	86.9	Confident	85.3	Confident	68 Å²	68	50.2 Å²	50.2	26%	0.257	25%	0.249	S	C	.	.	S	Bend	trans	-116.8	152.3	-174.8	-59.9	178.8	-173.9	-81.3	-4.9	110.7	L134 A138 D161 M163 F177 E220	L134-R136 PolarHBondContact O-N 3.29Å; R136-A138 PolarHBondContact O-N 2.98Å; R136-D161 WeakPolarHBondContact CD-OD1 3.49Å; R136-D161 WeakPolarHBondContact CD-OD2 3.33Å; R136-D161 IonicContact CZ-OD2 3.8Å; R136-D161 IonicContact NE-OD2 3.3Å; R136-D161 IonicContact NH1-OD2 3.34Å; R136-D161 PolarHBondContact NH1-OD2 3.45Å; R136-M163 PolarHBondContact NE-SD 3.47Å; R136-M163 VanDerWaalsContact NE-SD 3.43Å; R136-F177 VanDerWaalsContact CZ-CZ 3.48Å; R136-E220 IonicContact NH2-OE2 2.7Å
137	T	93.3	Very high	85	Confident	48 Å²	48	49.1 Å²	49.1	29%	0.294	25%	0.251	S	S	.	.			trans	-71.5	127.3	176.9	-59.9	0	0	0	0	109.9	P100 R101 S159 M160	P100-T137 HydrophobicContact CB-CG2 4.06Å; P100-T137 CarbonylContact O-C 3.59Å; P100-T137 WeakPolarHBondContact O-CA 3.13Å; R101-T137 PolarHBondContact NE-OG1 3.36Å; T137-S159 CarbonylContact O-C 3.6Å; T137-S159 VanDerWaalsContact O-CA 3.29Å; T137-S159 WeakPolarHBondContact O-CA 3.4Å; T137-S159 WeakPolarHBondContact O-CB 3.31Å; T137-M160 HydrophobicContact CG2-CG 3.96Å; T137-M160 PolarHBondContact O-N 2.97Å
138	A	93.7	Very high	84.6	Confident	2 Å²	2	50.3 Å²	50.3	2%	0.017	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	148.3	179.1	0	0	0	0	0	112.5	I79 L98 P100 L134 R136 I157	I79-A138 WeakPolarHBondContact CD1-O 3.37Å; L98-A138 HydrophobicContact CD1-CB 3.95Å; L98-A138 HydrophobicContact CD2-CB 4.12Å; L98-A138 HydrophobicContact CG-CB 4.26Å; P100-A138 PolarHBondContact O-N 3.49Å; L134-A138 HydrophobicContact CD2-CB 4.13Å; R136-A138 PolarHBondContact O-N 2.98Å; A138-I157 HydrophobicContact CB-CG2 3.56Å
139	C	94.1	Very high	84.2	Confident	36 Å²	36	50.9 Å²	50.9	24%	0.243	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-47.6	172.2	-173.5	0	0	0	0	112	I79 Q158 M160 P184	I79-C139 WeakPolarHBondContact CG2-O 3.39Å; C139-Q158 PolarHBondContact N-O 3.03Å; C139-M160 HydrophobicContact CB-CG 4.37Å; C139-M160 HydrophobicContact CB-SD 3.52Å; C139-M160 VanDerWaalsContact CB-SD 3.52Å; C139-P184 HydrophobicContact CB-CB 3.91Å; C139-P184 HydrophobicContact CB-CG 4.06Å; C139-P184 VanDerWaalsContact SG-CB 3.55Å; C139-P184 WeakPolarHBondContact SG-CG 3.45Å
140	N	95.3	Very high	83.8	Confident	21 Å²	21	57 Å²	57	11%	0.112	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	174.1	179.1	60.9	42.5	0	0	0	109.4	Q158 G185	N140-Q158 PolarHBondContact ND2-OE1 3.37Å; N140-Q158 PolarHBondContact O-N 3.05Å; N140-Q158 VanDerWaalsContact OD1-CB 3.23Å; N140-Q158 WeakPolarHBondContact OD1-CB 3.39Å; N140-Q158 PolarHBondContact OD1-OE1 3.21Å; N140-G185 PolarHBondContact ND2-O 3.25Å
141	M	95.6	Very high	83.9	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.015	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	164.8	171.6	67.8	-176.7	-178.8	0	0	111.9	Q80 E82 A96 L98 L103 L155 C156 I157	Q80-M141 HydrophobicContact CG-CE 4.31Å; Q80-M141 HydrophobicContact CG-CG 4.28Å; Q80-M141 PolarHBondContact NE2-O 2.99Å; Q80-M141 PolarHBondContact OE1-O 2.57Å; E82-M141 HydrophobicContact CB-CE 3.86Å; E82-M141 HydrophobicContact CG-CE 3.67Å; A96-M141 HydrophobicContact CB-CE 3.92Å; L98-M141 HydrophobicContact CB-CE 4.07Å; L98-M141 HydrophobicContact CB-SD 3.79Å; L98-M141 HydrophobicContact CD1-SD 4.46Å; L98-M141 HydrophobicContact CD2-CB 4Å; L98-M141 HydrophobicContact CD2-CG 4.03Å; L98-M141 HydrophobicContact CD2-SD 4.24Å; L98-M141 HydrophobicContact CG-SD 4.39Å; L103-M141 HydrophobicContact CD1-SD 4Å; M141-L155 HydrophobicContact SD-CD2 4.09Å; M141-C156 CarbonylContact C-O 3.37Å; M141-C156 WeakPolarHBondContact CA-O 3.36Å; M141-C156 WeakPolarHBondContact CB-O 3.42Å; M141-I157 HydrophobicContact CB-CG1 4.02Å
142	T	95.7	Very high	85.1	Confident	11 Å²	11	51.3 Å²	51.3	7%	0.067	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	158.6	168.5	-166.6	0	0	0	0	109.1	C156 L187 Y189 F196	T142-C156 HydrophobicContact CG2-CB 4.03Å; T142-C156 PolarHBondContact N-O 3.07Å; T142-C156 PolarHBondContact O-N 3.46Å; T142-L187 HydrophobicContact CG2-CD2 4.03Å; T142-L187 HydrophobicContact CG2-CG 4.05Å; T142-Y189 PolarHBondContact OG1-N 3.34Å; T142-F196 HydrophobicContact CG2-CD1 4.21Å; T142-F196 HydrophobicContact CG2-CE1 3.96Å
143	Y	94.3	Very high	86.8	Confident	88 Å²	88	45.8 Å²	45.8	35%	0.345	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	159.9	-179	71.8	-82.9	0	0	0	112.4	E82 F86 H153 S154	E82-Y143 HydrophobicContact CB-CD1 4.22Å; E82-Y143 HydrophobicContact CB-CE1 4.23Å; E82-Y143 VanDerWaalsContact CD-CD1 3.41Å; E82-Y143 HydrophobicContact CG-CD1 4.28Å; E82-Y143 HydrophobicContact CG-CE1 4.34Å; E82-Y143 WeakPolarHBondContact OE2-CD1 3.49Å; F86-Y143 HydrophobicContact CE1-CD2 4.27Å; F86-Y143 HydrophobicContact CE1-CG 4.06Å; F86-Y143 HydrophobicContact CZ-CG 4.26Å; Y143-H153 HydrophobicContact CD2-CB 4.04Å; Y143-H153 AromaticContact CD2-CG 3.83Å; Y143-H153 AromaticContact CD2-ND1 3.33Å; Y143-H153 VanDerWaalsContact CD2-ND1 3.33Å; Y143-H153 WeakPolarHBondContact CD2-ND1 3.09Å; Y143-H153 AromaticContact CE2-CE1 3.78Å; Y143-H153 AromaticContact CE2-ND1 3.44Å; Y143-H153 WeakPolarHBondContact CE2-ND1 3.25Å; Y143-S154 VanDerWaalsContact CA-O 3.28Å; Y143-S154 WeakPolarHBondContact CA-O 3.29Å
144	G	92.3	Very high	88.3	Confident	8 Å²	8	43.5 Å²	43.5	8%	0.082	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168	-173.5	170.8	0	0	0	0	0	113.4	F146 S154	G144-F146 VanDerWaalsContact C-N 3.33Å; G144-F146 PolarHBondContact O-N 3.25Å; G144-F146 VanDerWaalsContact O-N 3.16Å; G144-S154 PolarHBondContact N-O 2.99Å; G144-S154 VanDerWaalsContact N-O 3.09Å; G144-S154 PolarHBondContact O-N 3.47Å
145	T	91.4	Very high	89.2	Confident	42 Å²	42	43.6 Å²	43.6	26%	0.258	26%	0.263	S	S	.	.			trans	-85.8	72.8	176.2	52.4	0	0	0	0	109.9	G148 V149 Y189	T145-G148 PolarHBondContact O-N 3.16Å; T145-V149 WeakPolarHBondContact CB-O 3.22Å; T145-V149 WeakPolarHBondContact CG2-O 3.29Å; T145-Y189 PolarHBondContact O-OH 3.06Å
146	F	91.7	Very high	90	Very high	5 Å²	5	36.4 Å²	36.4	2%	0.022	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-61.5	135.8	-178.7	-53.6	-20.4	0	0	0	110.3	G144 G148 V149 S154 C156 F166 Y189 F196 Y210	G144-F146 VanDerWaalsContact C-N 3.33Å; G144-F146 PolarHBondContact O-N 3.25Å; G144-F146 VanDerWaalsContact O-N 3.16Å; F146-G148 PolarHBondContact O-N 3.39Å; F146-V149 WeakPolarHBondContact O-CG2 3.35Å; F146-S154 VanDerWaalsContact CD2-CB 3.43Å; F146-S154 WeakPolarHBondContact CZ-O 3.21Å; F146-C156 HydrophobicContact CE2-CB 3.79Å; F146-C156 HydrophobicContact CZ-CB 3.67Å; F146-F166 HydrophobicContact CD2-CD1 4.02Å; F146-F166 AromaticContact CE2-CD1 3.97Å; F146-F166 HydrophobicContact CE2-CD1 3.97Å; F146-F166 HydrophobicContact CE2-CE1 4.44Å; F146-Y189 AromaticContact CD1-CD1 3.88Å; F146-Y189 HydrophobicContact CD1-CD1 3.88Å; F146-Y189 AromaticContact CD1-CD2 3.79Å; F146-Y189 HydrophobicContact CD1-CD2 3.79Å; F146-Y189 AromaticContact CD1-CE1 3.87Å; F146-Y189 HydrophobicContact CD1-CE1 3.87Å; F146-Y189 AromaticContact CD1-CE2 3.81Å; F146-Y189 HydrophobicContact CD1-CE2 3.81Å; F146-Y189 AromaticContact CD1-CG 3.83Å; F146-Y189 HydrophobicContact CD1-CG 3.83Å; F146-Y189 AromaticContact CD1-CZ 3.85Å; F146-Y189 AromaticContact CE1-CD1 3.88Å; F146-Y189 HydrophobicContact CE1-CD1 3.88Å; F146-Y189 AromaticContact CE1-CD2 3.98Å; F146-Y189 HydrophobicContact CE1-CD2 3.98Å; F146-Y189 HydrophobicContact CE1-CE1 4.34Å; F146-Y189 HydrophobicContact CE1-CE2 4.45Å; F146-Y189 AromaticContact CE1-CG 3.66Å; F146-Y189 HydrophobicContact CE1-CG 3.66Å; F146-F196 HydrophobicContact CD1-CE1 4.36Å; F146-F196 HydrophobicContact CD1-CE2 4.38Å; F146-F196 AromaticContact CD1-CZ 3.56Å; F146-F196 HydrophobicContact CD1-CZ 3.56Å; F146-F196 HydrophobicContact CD2-CZ 4.1Å; F146-F196 AromaticContact CE1-CE1 3.8Å; F146-F196 HydrophobicContact CE1-CE1 3.8Å; F146-F196 AromaticContact CE1-CZ 3.45Å; F146-F196 HydrophobicContact CE1-CZ 3.45Å; F146-F196 VanDerWaalsContact CE1-CZ 3.45Å; F146-F196 HydrophobicContact CE2-CE1 4.43Å; F146-F196 AromaticContact CE2-CZ 3.99Å; F146-F196 HydrophobicContact CE2-CZ 3.99Å; F146-F196 AromaticContact CG-CZ 3.91Å; F146-F196 HydrophobicContact CG-CZ 3.91Å; F146-F196 AromaticContact CZ-CE1 3.85Å; F146-F196 HydrophobicContact CZ-CE1 3.85Å; F146-F196 AromaticContact CZ-CZ 3.69Å; F146-F196 HydrophobicContact CZ-CZ 3.69Å; F146-Y210 HydrophobicContact CB-CD1 4.33Å; F146-Y210 HydrophobicContact CB-CD2 4.1Å; F146-Y210 HydrophobicContact CB-CE1 4.13Å; F146-Y210 HydrophobicContact CB-CE2 3.86Å; F146-Y210 HydrophobicContact CB-CG 4.31Å; F146-Y210 HydrophobicContact CD2-CE2 4.32Å; F146-Y210 HydrophobicContact CG-CE2 4.39Å
147	G	85.9	Confident	90.5	Very high	42 Å²	42	33.2 Å²	33.2	43%	0.433	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	70.7	11	-177.9	0	0	0	0	0	114.6	D194	G147-D194 WeakPolarHBondContact CA-OD2 3.44Å; G147-D194 PolarHBondContact N-OD1 3.35Å
148	G	82.3	Confident	90.6	Very high	56 Å²	56	31 Å²	31	58%	0.577	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	77.9	18.4	178.2	0	0	0	0	0	115.1	T145 F146	T145-G148 PolarHBondContact O-N 3.16Å; F146-G148 PolarHBondContact O-N 3.39Å
149	V	83.3	Confident	90.6	Very high	65 Å²	65	30.9 Å²	30.9	39%	0.394	20%	0.203	S	C	.	.			trans	-68.6	132.7	179.6	-172.1	0	0	0	0	111.2	T145 F146 H152	T145-V149 WeakPolarHBondContact CB-O 3.22Å; T145-V149 WeakPolarHBondContact CG2-O 3.29Å; F146-V149 WeakPolarHBondContact O-CG2 3.35Å; V149-H152 WeakPolarHBondContact CG1-CE1 3.41Å; V149-H152 WeakPolarHBondContact CG1-NE2 3.5Å
150	T	78.4	Confident	90.5	Very high	129 Å²	129	33.8 Å²	33.8	79%	0.791	21%	0.214	S	C	*	.	S	Bend	trans	-97.4	133.3	-178.8	56.7	0	0	0	0	111.8
151	G	77.8	Confident	90.2	Very high	42 Å²	42	35.7 Å²	35.7	43%	0.433	22%	0.224	S	C	.	.	S	Bend	trans	107.7	-10.9	167	0	0	0	0	0	115.9
152	H	85.2	Confident	89.9	Confident	44 Å²	44	35.5 Å²	35.5	20%	0.204	22%	0.223	C	C	.	.			trans	-147.5	158.7	174.6	53.3	-102.5	0	0	0	111.3	V149 Q169	V149-H152 WeakPolarHBondContact CG1-CE1 3.41Å; V149-H152 WeakPolarHBondContact CG1-NE2 3.5Å; H152-Q169 PolarHBondContact CD2-NE2 3.49Å
153	H	91.5	Very high	89.7	Confident	45 Å²	45	35.8 Å²	35.8	21%	0.208	22%	0.224	C	C	.	.			trans	-106.6	132.4	176.8	-60	167.8	0	0	0	109.7	K85 F86 Y143	K85-H153 PolarHBondContact N-ND1 3.33Å; K85-H153 PolarHBondContact O-N 2.92Å; F86-H153 HydrophobicContact CD1-CB 4.05Å; F86-H153 HydrophobicContact CE1-CB 4.05Å; Y143-H153 HydrophobicContact CD2-CB 4.04Å; Y143-H153 AromaticContact CD2-CG 3.83Å; Y143-H153 AromaticContact CD2-ND1 3.33Å; Y143-H153 VanDerWaalsContact CD2-ND1 3.33Å; Y143-H153 WeakPolarHBondContact CD2-ND1 3.09Å; Y143-H153 AromaticContact CE2-CE1 3.78Å; Y143-H153 AromaticContact CE2-ND1 3.44Å; Y143-H153 WeakPolarHBondContact CE2-ND1 3.25Å
154	S	93.1	Very high	89.7	Confident	7 Å²	7	31.6 Å²	31.6	5%	0.049	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	157.9	169.2	-61.6	0	0	0	0	109.7	Y143 G144 F146 F167	Y143-S154 VanDerWaalsContact CA-O 3.28Å; Y143-S154 WeakPolarHBondContact CA-O 3.29Å; G144-S154 PolarHBondContact N-O 2.99Å; G144-S154 VanDerWaalsContact N-O 3.09Å; G144-S154 PolarHBondContact O-N 3.47Å; F146-S154 VanDerWaalsContact CD2-CB 3.43Å; F146-S154 WeakPolarHBondContact CZ-O 3.21Å; S154-F167 WeakPolarHBondContact CB-O 3.3Å
155	L	94.4	Very high	89.7	Confident	3 Å²	3	31.4 Å²	31.4	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	136.4	-176.2	-75.5	162.2	0	0	0	110.5	F86 A96 L103 M141 F167	F86-L155 HydrophobicContact CD1-CD1 3.98Å; F86-L155 HydrophobicContact CD1-CD2 4.24Å; F86-L155 HydrophobicContact CD1-CG 3.99Å; F86-L155 HydrophobicContact CE1-CD1 4.25Å; F86-L155 HydrophobicContact CE1-CD2 3.7Å; F86-L155 HydrophobicContact CE1-CG 3.95Å; F86-L155 HydrophobicContact CG-CD1 4.38Å; F86-L155 HydrophobicContact CZ-CD2 4.15Å; A96-L155 HydrophobicContact CB-CD1 4.27Å; L103-L155 HydrophobicContact CD1-CD1 4.3Å; L103-L155 HydrophobicContact CD2-CD1 3.7Å; M141-L155 HydrophobicContact SD-CD2 4.09Å; L155-F167 HydrophobicContact CB-CB 4.34Å; L155-F167 PolarHBondContact N-O 3.18Å; L155-F167 PolarHBondContact O-N 2.84Å
156	C	95.1	Very high	89.8	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.4	172.2	176.3	0	0	0	0	108.7	M141 T142 F146 M165 F166 F196	M141-C156 CarbonylContact C-O 3.37Å; M141-C156 WeakPolarHBondContact CA-O 3.36Å; M141-C156 WeakPolarHBondContact CB-O 3.42Å; T142-C156 HydrophobicContact CG2-CB 4.03Å; T142-C156 PolarHBondContact N-O 3.07Å; T142-C156 PolarHBondContact O-N 3.46Å; F146-C156 HydrophobicContact CE2-CB 3.79Å; F146-C156 HydrophobicContact CZ-CB 3.67Å; C156-M165 CarbonylContact C-O 3.58Å; C156-M165 WeakPolarHBondContact CA-O 3.43Å; C156-F166 HydrophobicContact CB-CD1 3.99Å; C156-F166 HydrophobicContact CB-CE1 3.87Å; C156-F166 VanDerWaalsContact SG-CE1 3.57Å; C156-F196 HydrophobicContact CB-CD1 4.48Å; C156-F196 HydrophobicContact CB-CE1 3.65Å; C156-F196 HydrophobicContact CB-CZ 4.31Å
157	I	95.6	Very high	89.7	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.9	179.4	-61.5	176.3	0	0	0	109	L98 L103 L134 A138 M141 L164 M165 F167	L98-I157 HydrophobicContact CD1-CD1 3.77Å; L98-I157 HydrophobicContact CD1-CG1 4.27Å; L98-I157 HydrophobicContact CD1-CG2 4.3Å; L103-I157 HydrophobicContact CB-CD1 4.08Å; L103-I157 HydrophobicContact CD2-CD1 4.03Å; L103-I157 HydrophobicContact CG-CD1 4.47Å; L134-I157 HydrophobicContact CD1-CD1 3.9Å; L134-I157 HydrophobicContact CD2-CD1 4.17Å; L134-I157 HydrophobicContact CG-CD1 4.44Å; A138-I157 HydrophobicContact CB-CG2 3.56Å; M141-I157 HydrophobicContact CB-CG1 4.02Å; I157-L164 CarbonylContact O-C 3.59Å; I157-L164 WeakPolarHBondContact O-CA 3.44Å; I157-M165 HydrophobicContact CB-CB 4.49Å; I157-M165 HydrophobicContact CB-CE 4.09Å; I157-M165 HydrophobicContact CG2-CE 3.7Å; I157-M165 PolarHBondContact N-O 3.18Å; I157-M165 PolarHBondContact O-N 2.93Å; I157-F167 HydrophobicContact CB-CE2 4.32Å; I157-F167 HydrophobicContact CD1-CD2 4.07Å; I157-F167 HydrophobicContact CD1-CE2 3.65Å; I157-F167 HydrophobicContact CD1-CZ 4.35Å; I157-F167 HydrophobicContact CG1-CD2 4.29Å; I157-F167 HydrophobicContact CG1-CE2 4.08Å
158	Q	95.4	Very high	89.8	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.8	168.9	-167.6	-178.9	37.8	0	0	109.5	C139 N140 L164 G185 L187	C139-Q158 PolarHBondContact N-O 3.03Å; N140-Q158 PolarHBondContact ND2-OE1 3.37Å; N140-Q158 PolarHBondContact O-N 3.05Å; N140-Q158 VanDerWaalsContact OD1-CB 3.23Å; N140-Q158 WeakPolarHBondContact OD1-CB 3.39Å; N140-Q158 PolarHBondContact OD1-OE1 3.21Å; Q158-L164 HydrophobicContact CB-CD2 4.07Å; Q158-L164 HydrophobicContact CG-CD2 3.97Å; Q158-G185 PolarHBondContact OE1-O 3.43Å; Q158-L187 HydrophobicContact CB-CD2 4.01Å
159	S	93.8	Very high	89.9	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	159.1	171.3	69.7	0	0	0	0	112.3	T137 D161 G162 M163	T137-S159 CarbonylContact O-C 3.6Å; T137-S159 VanDerWaalsContact O-CA 3.29Å; T137-S159 WeakPolarHBondContact O-CA 3.4Å; T137-S159 WeakPolarHBondContact O-CB 3.31Å; S159-D161 WeakPolarHBondContact CB-OD1 3.28Å; S159-D161 PolarHBondContact O-N 3.46Å; S159-D161 VanDerWaalsContact O-N 3.16Å; S159-D161 PolarHBondContact OG-OD1 3.47Å; S159-G162 PolarHBondContact O-N 3.13Å; S159-G162 PolarHBondContact OG-N 3.18Å; S159-M163 PolarHBondContact N-O 3.5Å; S159-M163 WeakPolarHBondContact OG-CA 3.33Å; S159-M163 VanDerWaalsContact OG-CB 3.27Å; S159-M163 WeakPolarHBondContact OG-CB 3.26Å; S159-M163 PolarHBondContact OG-N 3.44Å; S159-M163 PolarHBondContact OG-O 3.39Å
160	M	92.9	Very high	89.9	Confident	97 Å²	97	31.6 Å²	31.6	48%	0.478	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-22.8	177.5	-71.8	-62.3	-63.2	0	0	113.7	T137 C139 F181 P184	T137-M160 HydrophobicContact CG2-CG 3.96Å; T137-M160 PolarHBondContact O-N 2.97Å; C139-M160 HydrophobicContact CB-CG 4.37Å; C139-M160 HydrophobicContact CB-SD 3.52Å; C139-M160 VanDerWaalsContact CB-SD 3.52Å; M160-F181 VanDerWaalsContact O-CE1 3.26Å; M160-F181 WeakPolarHBondContact O-CE1 3.32Å; M160-P184 HydrophobicContact CE-CG 4.25Å; M160-P184 HydrophobicContact SD-CG 4.15Å
161	D	89.5	Confident	90.3	Very high	61 Å²	61	28 Å²	28	33%	0.326	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	8.3	177.4	62.2	-25.1	0	0	0	113.7	R136 S159 F181	R136-D161 WeakPolarHBondContact CD-OD1 3.49Å; R136-D161 WeakPolarHBondContact CD-OD2 3.33Å; R136-D161 IonicContact CZ-OD2 3.8Å; R136-D161 IonicContact NE-OD2 3.3Å; R136-D161 IonicContact NH1-OD2 3.34Å; R136-D161 PolarHBondContact NH1-OD2 3.45Å; S159-D161 WeakPolarHBondContact CB-OD1 3.28Å; S159-D161 PolarHBondContact O-N 3.46Å; S159-D161 VanDerWaalsContact O-N 3.16Å; S159-D161 PolarHBondContact OG-OD1 3.47Å; D161-F181 VanDerWaalsContact C-CD1 3.43Å; D161-F181 VanDerWaalsContact O-CD1 3.29Å; D161-F181 WeakPolarHBondContact O-CD1 3.3Å
162	G	89.3	Confident	90.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	90.8	20.5	166.4	0	0	0	0	0	116.3	S159 L178 F181	S159-G162 PolarHBondContact O-N 3.13Å; S159-G162 PolarHBondContact OG-N 3.18Å; G162-L178 WeakPolarHBondContact O-CB 3.43Å; G162-L178 WeakPolarHBondContact O-CG 3.27Å; G162-L178 PolarHBondContact O-N 3.41Å; G162-F181 VanDerWaalsContact N-CE1 3.28Å; G162-F181 VanDerWaalsContact N-CZ 3.27Å
163	M	91.4	Very high	90.9	Very high	16 Å²	16	30.4 Å²	30.4	8%	0.079	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129.2	169.7	-163.4	-179	-160.5	0	0	110	R136 S159 M165 R176 F177	R136-M163 PolarHBondContact NE-SD 3.47Å; R136-M163 VanDerWaalsContact NE-SD 3.43Å; S159-M163 PolarHBondContact N-O 3.5Å; S159-M163 WeakPolarHBondContact OG-CA 3.33Å; S159-M163 VanDerWaalsContact OG-CB 3.27Å; S159-M163 WeakPolarHBondContact OG-CB 3.26Å; S159-M163 PolarHBondContact OG-N 3.44Å; S159-M163 PolarHBondContact OG-O 3.39Å; M163-M165 HydrophobicContact CG-CG 4.37Å; M163-M165 HydrophobicContact SD-CG 4.36Å; M163-R176 CarbonylContact C-O 3.59Å; M163-R176 WeakPolarHBondContact CA-O 3.5Å; M163-F177 HydrophobicContact CB-CD1 3.99Å; M163-F177 HydrophobicContact CB-CE1 3.92Å; M163-F177 HydrophobicContact CB-CG 4.46Å; M163-F177 HydrophobicContact CB-CZ 4.35Å; M163-F177 HydrophobicContact CE-CD2 4.42Å; M163-F177 HydrophobicContact CE-CE2 4.16Å; M163-F177 HydrophobicContact CG-CD1 4.42Å; M163-F177 HydrophobicContact CG-CD2 4.39Å; M163-F177 HydrophobicContact CG-CE1 4.43Å; M163-F177 HydrophobicContact CG-CE2 4.41Å; M163-F177 HydrophobicContact CG-CG 4.43Å; M163-F177 HydrophobicContact CG-CZ 4.45Å; M163-F177 HydrophobicContact SD-CE2 4.17Å; M163-F177 HydrophobicContact SD-CZ 4.25Å
164	L	93.3	Very high	90.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	122.1	167.1	-60	-173.4	0	0	0	108.8	I157 Q158 F166 G175 R176 L178 L187 L213	I157-L164 CarbonylContact O-C 3.59Å; I157-L164 WeakPolarHBondContact O-CA 3.44Å; Q158-L164 HydrophobicContact CB-CD2 4.07Å; Q158-L164 HydrophobicContact CG-CD2 3.97Å; L164-F166 HydrophobicContact CB-CE2 3.82Å; L164-F166 HydrophobicContact CB-CZ 4.05Å; L164-F166 HydrophobicContact CD1-CZ 4.36Å; L164-G175 CarbonylContact O-C 3.56Å; L164-G175 WeakPolarHBondContact O-CA 3.5Å; L164-R176 PolarHBondContact N-O 3.11Å; L164-R176 PolarHBondContact O-N 3.47Å; L164-L178 HydrophobicContact CD1-CD2 3.9Å; L164-L178 HydrophobicContact CD1-CG 4.38Å; L164-L178 HydrophobicContact CD2-CD1 4.22Å; L164-L178 HydrophobicContact CG-CD1 4.3Å; L164-L178 HydrophobicContact CG-CD2 4.19Å; L164-L178 HydrophobicContact CG-CG 4.13Å; L164-L187 HydrophobicContact CD2-CD1 4.21Å; L164-L187 HydrophobicContact CD2-CD2 3.69Å; L164-L213 HydrophobicContact CD1-CD1 4.37Å
165	M	92.6	Very high	90.7	Very high	5 Å²	5	29.4 Å²	29.4	3%	0.025	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.9	-180	-63.8	175.3	-68.8	0	0	109.5	L134 C156 I157 M163 F167 Y172	L134-M165 HydrophobicContact CG-CE 4.31Å; C156-M165 CarbonylContact C-O 3.58Å; C156-M165 WeakPolarHBondContact CA-O 3.43Å; I157-M165 HydrophobicContact CB-CB 4.49Å; I157-M165 HydrophobicContact CB-CE 4.09Å; I157-M165 HydrophobicContact CG2-CE 3.7Å; I157-M165 PolarHBondContact N-O 3.18Å; I157-M165 PolarHBondContact O-N 2.93Å; M163-M165 HydrophobicContact CG-CG 4.37Å; M163-M165 HydrophobicContact SD-CG 4.36Å; M165-F167 HydrophobicContact CB-CE2 3.66Å; M165-F167 HydrophobicContact CB-CZ 4.22Å; M165-Y172 HydrophobicContact CB-CE2 4.22Å
166	F	92.7	Very high	90.5	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.009	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	131.2	-175.3	-64	-87.3	0	0	0	111.2	F146 C156 L164 S173 F174 F196 Y210 L213	F146-F166 HydrophobicContact CD2-CD1 4.02Å; F146-F166 AromaticContact CE2-CD1 3.97Å; F146-F166 HydrophobicContact CE2-CD1 3.97Å; F146-F166 HydrophobicContact CE2-CE1 4.44Å; C156-F166 HydrophobicContact CB-CD1 3.99Å; C156-F166 HydrophobicContact CB-CE1 3.87Å; C156-F166 VanDerWaalsContact SG-CE1 3.57Å; L164-F166 HydrophobicContact CB-CE2 3.82Å; L164-F166 HydrophobicContact CB-CZ 4.05Å; L164-F166 HydrophobicContact CD1-CZ 4.36Å; F166-S173 PolarHBondContact O-N 3.23Å; F166-F174 HydrophobicContact CB-CD1 4.4Å; F166-F174 HydrophobicContact CB-CE1 4.21Å; F166-F174 HydrophobicContact CB-CZ 4.3Å; F166-F174 HydrophobicContact CD1-CZ 4.43Å; F166-F174 AromaticContact CD2-CD2 3.68Å; F166-F174 HydrophobicContact CD2-CD2 3.68Å; F166-F174 HydrophobicContact CD2-CE1 4.24Å; F166-F174 AromaticContact CD2-CE2 3.22Å; F166-F174 HydrophobicContact CD2-CE2 3.22Å; F166-F174 HydrophobicContact CD2-CG 4.35Å; F166-F174 AromaticContact CD2-CZ 3.53Å; F166-F174 HydrophobicContact CD2-CZ 3.53Å; F166-F174 HydrophobicContact CE2-CD2 4.24Å; F166-F174 AromaticContact CE2-CE2 3.5Å; F166-F174 HydrophobicContact CE2-CE2 3.5Å; F166-F174 VanDerWaalsContact CE2-CE2 3.5Å; F166-F174 AromaticContact CE2-CZ 3.96Å; F166-F174 HydrophobicContact CE2-CZ 3.96Å; F166-F174 HydrophobicContact CG-CE1 4.22Å; F166-F174 AromaticContact CG-CE2 3.99Å; F166-F174 HydrophobicContact CG-CE2 3.99Å; F166-F174 AromaticContact CG-CZ 3.81Å; F166-F174 HydrophobicContact CG-CZ 3.81Å; F166-F174 HydrophobicContact CZ-CE2 4.44Å; F166-F174 PolarHBondContact N-O 3.41Å; F166-F196 HydrophobicContact CD1-CZ 4.3Å; F166-F196 HydrophobicContact CE1-CD2 4.33Å; F166-F196 AromaticContact CE1-CE1 3.86Å; F166-F196 HydrophobicContact CE1-CE1 3.86Å; F166-F196 AromaticContact CE1-CE2 3.7Å; F166-F196 HydrophobicContact CE1-CE2 3.7Å; F166-F196 AromaticContact CE1-CZ 3.44Å; F166-F196 HydrophobicContact CE1-CZ 3.44Å; F166-F196 VanDerWaalsContact CE1-CZ 3.44Å; F166-F196 HydrophobicContact CZ-CD2 4.49Å; F166-F196 HydrophobicContact CZ-CE2 4.26Å; F166-F196 HydrophobicContact CZ-CZ 4.31Å; F166-Y210 HydrophobicContact CD1-CD2 4.41Å; F166-Y210 AromaticContact CD1-CE2 3.92Å; F166-Y210 HydrophobicContact CD1-CE2 3.92Å; F166-Y210 HydrophobicContact CE1-CD2 4.14Å; F166-Y210 HydrophobicContact CE1-CE2 4.11Å; F166-L213 HydrophobicContact CZ-CD1 3.98Å
167	F	90.8	Very high	90.3	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.009	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.8	-179.6	-61.9	-93.2	0	0	0	109.9	H129 N133 L134 S154 L155 I157 M165 S171 Y172	H129-F167 HydrophobicContact CB-CE1 4.1Å; H129-F167 AromaticContact CD2-CD1 3.98Å; H129-F167 AromaticContact CE1-CD1 3.71Å; H129-F167 AromaticContact CG-CD1 3.81Å; H129-F167 AromaticContact CG-CE1 3.82Å; H129-F167 AromaticContact ND1-CD1 3.64Å; H129-F167 AromaticContact ND1-CE1 3.75Å; H129-F167 AromaticContact NE2-CD1 3.93Å; N133-F167 HydrophobicContact CB-CE1 4.42Å; L134-F167 HydrophobicContact CD1-CE1 4.2Å; L134-F167 HydrophobicContact CD1-CE2 4.23Å; L134-F167 HydrophobicContact CD1-CZ 3.57Å; L134-F167 HydrophobicContact CG-CZ 4.5Å; S154-F167 WeakPolarHBondContact CB-O 3.3Å; L155-F167 HydrophobicContact CB-CB 4.34Å; L155-F167 PolarHBondContact N-O 3.18Å; L155-F167 PolarHBondContact O-N 2.84Å; I157-F167 HydrophobicContact CB-CE2 4.32Å; I157-F167 HydrophobicContact CD1-CD2 4.07Å; I157-F167 HydrophobicContact CD1-CE2 3.65Å; I157-F167 HydrophobicContact CD1-CZ 4.35Å; I157-F167 HydrophobicContact CG1-CD2 4.29Å; I157-F167 HydrophobicContact CG1-CE2 4.08Å; M165-F167 HydrophobicContact CB-CE2 3.66Å; M165-F167 HydrophobicContact CB-CZ 4.22Å; F167-S171 CarbonylContact C-O 3.47Å; F167-S171 WeakPolarHBondContact CA-O 3.2Å; F167-Y172 HydrophobicContact CD1-CD2 4.15Å; F167-Y172 AromaticContact CE1-CD2 3.63Å; F167-Y172 HydrophobicContact CE1-CD2 3.63Å; F167-Y172 HydrophobicContact CE1-CG 4.34Å; F167-Y172 HydrophobicContact CE2-CD2 4.42Å; F167-Y172 AromaticContact CZ-CD2 3.78Å; F167-Y172 HydrophobicContact CZ-CD2 3.78Å; F167-Y172 HydrophobicContact CZ-CE2 4.37Å
168	E	87.7	Confident	90	Very high	78 Å²	78	34.4 Å²	34.4	36%	0.364	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	93.1	168.5	-78.8	165.6	-129.6	0	0	107.8	D170 S171 S173	E168-D170 PolarHBondContact O-N 2.85Å; E168-D170 VanDerWaalsContact O-N 3.16Å; E168-S171 PolarHBondContact N-O 2.98Å; E168-S171 PolarHBondContact O-N 3.43Å; E168-S171 PolarHBondContact O-OG 3.24Å; E168-S173 VanDerWaalsContact CG-OG 3.24Å; E168-S173 WeakPolarHBondContact CG-OG 3.35Å; E168-S173 WeakPolarHBondContact OE1-CB 3.2Å; E168-S173 PolarHBondContact OE1-OG 3.4Å
169	Q	84.2	Confident	89.6	Confident	19 Å²	19	36.3 Å²	36.3	9%	0.089	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	-112.4	-175.7	-55.9	83.7	39.3	0	0	112.8	F86 S88 Y127 H129 H152 S171	F86-Q169 WeakPolarHBondContact O-CG 3.32Å; S88-Q169 VanDerWaalsContact OG-CD 3.28Å; S88-Q169 VanDerWaalsContact OG-CG 3.26Å; S88-Q169 WeakPolarHBondContact OG-CG 3.44Å; S88-Q169 PolarHBondContact OG-OE1 3.32Å; S88-Q169 VanDerWaalsContact OG-OE1 3.05Å; Y127-Q169 WeakPolarHBondContact CE2-O 3.22Å; Y127-Q169 PolarHBondContact OH-O 3.06Å; H129-Q169 PolarHBondContact NE2-O 3.31Å; H152-Q169 PolarHBondContact CD2-NE2 3.49Å; Q169-S171 VanDerWaalsContact C-N 3.29Å
170	D	83.6	Confident	89	Confident	112 Å²	112	39.5 Å²	39.5	60%	0.599	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	1.9	-177.7	67.5	-21.9	0	0	0	113.4	Y127 H129 E168	Y127-D170 HydrophobicContact CD1-CB 4.15Å; Y127-D170 HydrophobicContact CD2-CB 4.2Å; Y127-D170 HydrophobicContact CG-CB 3.92Å; H129-D170 PolarHBondContact CE1-O 2.91Å; E168-D170 PolarHBondContact O-N 2.85Å; E168-D170 VanDerWaalsContact O-N 3.16Å
171	S	86.3	Confident	88.8	Confident	54 Å²	54	37.5 Å²	37.5	38%	0.378	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	140.4	-179.5	74.4	0	0	0	0	112.8	F167 E168 Q169	F167-S171 CarbonylContact C-O 3.47Å; F167-S171 WeakPolarHBondContact CA-O 3.2Å; E168-S171 PolarHBondContact N-O 2.98Å; E168-S171 PolarHBondContact O-N 3.43Å; E168-S171 PolarHBondContact O-OG 3.24Å; Q169-S171 VanDerWaalsContact C-N 3.29Å
172	Y	89	Confident	88.9	Confident	96 Å²	96	40.9 Å²	40.9	38%	0.376	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	123.9	169.8	170.6	-96.7	0	0	0	109.3	M165 F167 F174 G175	M165-Y172 HydrophobicContact CB-CE2 4.22Å; F167-Y172 HydrophobicContact CD1-CD2 4.15Å; F167-Y172 AromaticContact CE1-CD2 3.63Å; F167-Y172 HydrophobicContact CE1-CD2 3.63Å; F167-Y172 HydrophobicContact CE1-CG 4.34Å; F167-Y172 HydrophobicContact CE2-CD2 4.42Å; F167-Y172 AromaticContact CZ-CD2 3.78Å; F167-Y172 HydrophobicContact CZ-CD2 3.78Å; F167-Y172 HydrophobicContact CZ-CE2 4.37Å; Y172-F174 VanDerWaalsContact CZ-C 3.49Å; Y172-G175 PolarHBondContact OH-N 2.86Å
173	S	88	Confident	89.1	Confident	40 Å²	40	46.3 Å²	46.3	28%	0.28	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-65	-177.8	-54.1	0	0	0	0	111.7	F166 E168	F166-S173 PolarHBondContact O-N 3.23Å; E168-S173 VanDerWaalsContact CG-OG 3.24Å; E168-S173 WeakPolarHBondContact CG-OG 3.35Å; E168-S173 WeakPolarHBondContact OE1-CB 3.2Å; E168-S173 PolarHBondContact OE1-OG 3.4Å
174	F	90	Very high	89.2	Confident	29 Å²	29	47.2 Å²	47.2	13%	0.127	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	172.9	-179.4	64.1	-88.1	0	0	0	111	F166 Y172 R176 Y210 L213 A214	F166-F174 HydrophobicContact CB-CD1 4.4Å; F166-F174 HydrophobicContact CB-CE1 4.21Å; F166-F174 HydrophobicContact CB-CZ 4.3Å; F166-F174 HydrophobicContact CD1-CZ 4.43Å; F166-F174 AromaticContact CD2-CD2 3.68Å; F166-F174 HydrophobicContact CD2-CD2 3.68Å; F166-F174 HydrophobicContact CD2-CE1 4.24Å; F166-F174 AromaticContact CD2-CE2 3.22Å; F166-F174 HydrophobicContact CD2-CE2 3.22Å; F166-F174 HydrophobicContact CD2-CG 4.35Å; F166-F174 AromaticContact CD2-CZ 3.53Å; F166-F174 HydrophobicContact CD2-CZ 3.53Å; F166-F174 HydrophobicContact CE2-CD2 4.24Å; F166-F174 AromaticContact CE2-CE2 3.5Å; F166-F174 HydrophobicContact CE2-CE2 3.5Å; F166-F174 VanDerWaalsContact CE2-CE2 3.5Å; F166-F174 AromaticContact CE2-CZ 3.96Å; F166-F174 HydrophobicContact CE2-CZ 3.96Å; F166-F174 HydrophobicContact CG-CE1 4.22Å; F166-F174 AromaticContact CG-CE2 3.99Å; F166-F174 HydrophobicContact CG-CE2 3.99Å; F166-F174 AromaticContact CG-CZ 3.81Å; F166-F174 HydrophobicContact CG-CZ 3.81Å; F166-F174 HydrophobicContact CZ-CE2 4.44Å; F166-F174 PolarHBondContact N-O 3.41Å; Y172-F174 VanDerWaalsContact CZ-C 3.49Å; F174-R176 HydrophobicContact CD2-CG 4.02Å; F174-R176 HydrophobicContact CE2-CG 4.08Å; F174-Y210 HydrophobicContact CE1-CE2 4.14Å; F174-Y210 AromaticContact CZ-CE2 3.84Å; F174-Y210 HydrophobicContact CZ-CE2 3.84Å; F174-L213 HydrophobicContact CE2-CB 4.33Å; F174-A214 HydrophobicContact CE1-CB 3.94Å; F174-A214 HydrophobicContact CE2-CB 4.43Å; F174-A214 VanDerWaalsContact CZ-CA 3.46Å; F174-A214 HydrophobicContact CZ-CB 3.74Å
175	G	88.9	Confident	89.2	Confident	2 Å²	2	47.7 Å²	47.7	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	155.2	169.8	0	0	0	0	0	113.3	L164 Y172	L164-G175 CarbonylContact O-C 3.56Å; L164-G175 WeakPolarHBondContact O-CA 3.5Å; Y172-G175 PolarHBondContact OH-N 2.86Å
176	R	90.8	Very high	89.3	Confident	41 Å²	41	47.9 Å²	47.9	16%	0.155	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	136.9	-176	-61.3	-63.2	173.3	-116.4	5.5	112	M163 L164 F174 L213 A214 A216	M163-R176 CarbonylContact C-O 3.59Å; M163-R176 WeakPolarHBondContact CA-O 3.5Å; L164-R176 PolarHBondContact N-O 3.11Å; L164-R176 PolarHBondContact O-N 3.47Å; F174-R176 HydrophobicContact CD2-CG 4.02Å; F174-R176 HydrophobicContact CE2-CG 4.08Å; R176-L213 HydrophobicContact CB-CD2 4.22Å; R176-L213 WeakPolarHBondContact CD-O 3.47Å; R176-L213 HydrophobicContact CG-CD2 4.45Å; R176-L213 VanDerWaalsContact CG-O 3.24Å; R176-L213 WeakPolarHBondContact CG-O 3.31Å; R176-L213 PolarHBondContact NE-O 2.96Å; R176-A214 PolarHBondContact NH2-O 3.07Å; R176-A216 PolarHBondContact NE-O 3.22Å; R176-A216 PolarHBondContact NH2-O 3.09Å
177	F	89.8	Confident	89.5	Confident	54 Å²	54	48.6 Å²	48.6	24%	0.237	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	133.1	172.3	-77.7	-81	0	0	0	112.6	R136 M163 L236	R136-F177 VanDerWaalsContact CZ-CZ 3.48Å; M163-F177 HydrophobicContact CB-CD1 3.99Å; M163-F177 HydrophobicContact CB-CE1 3.92Å; M163-F177 HydrophobicContact CB-CG 4.46Å; M163-F177 HydrophobicContact CB-CZ 4.35Å; M163-F177 HydrophobicContact CE-CD2 4.42Å; M163-F177 HydrophobicContact CE-CE2 4.16Å; M163-F177 HydrophobicContact CG-CD1 4.42Å; M163-F177 HydrophobicContact CG-CD2 4.39Å; M163-F177 HydrophobicContact CG-CE1 4.43Å; M163-F177 HydrophobicContact CG-CE2 4.41Å; M163-F177 HydrophobicContact CG-CG 4.43Å; M163-F177 HydrophobicContact CG-CZ 4.45Å; M163-F177 HydrophobicContact SD-CE2 4.17Å; M163-F177 HydrophobicContact SD-CZ 4.25Å; F177-L236 WeakPolarHBondContact O-CD2 3.48Å
178	L	90.4	Very high	89.7	Confident	14 Å²	14	49.5 Å²	49.5	7%	0.073	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-71.1	134.3	169.8	-66.6	173.5	0	0	0	110.3	G162 L164 F181 T198 Y208	G162-L178 WeakPolarHBondContact O-CB 3.43Å; G162-L178 WeakPolarHBondContact O-CG 3.27Å; G162-L178 PolarHBondContact O-N 3.41Å; L164-L178 HydrophobicContact CD1-CD2 3.9Å; L164-L178 HydrophobicContact CD1-CG 4.38Å; L164-L178 HydrophobicContact CD2-CD1 4.22Å; L164-L178 HydrophobicContact CG-CD1 4.3Å; L164-L178 HydrophobicContact CG-CD2 4.19Å; L164-L178 HydrophobicContact CG-CG 4.13Å; L178-F181 HydrophobicContact CB-CD2 4.4Å; L178-F181 HydrophobicContact CD1-CD2 4.39Å; L178-T198 HydrophobicContact CD1-CG2 4.13Å; L178-Y208 HydrophobicContact CD2-CD2 4.09Å; L178-Y208 HydrophobicContact CD2-CE2 3.75Å
179	P	86.9	Confident	90.1	Very high	40 Å²	40	46.3 Å²	46.3	26%	0.26	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	143.1	177.3	30.2	-34.8	0	0	0	111.3	F181 Y208	P179-F181 VanDerWaalsContact C-N 3.3Å; P179-F181 PolarHBondContact O-N 2.87Å; P179-Y208 WeakPolarHBondContact CD-OH 3.36Å; P179-Y208 HydrophobicContact CG-CE1 4.3Å; P179-Y208 WeakPolarHBondContact CG-OH 3.4Å
180	G	82.1	Confident	90.5	Very high	68 Å²	68	45.5 Å²	45.5	70%	0.701	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	25.9	172.6	0	0	0	0	0	114.8
181	F	88.6	Confident	90.8	Very high	55 Å²	55	43.3 Å²	43.3	24%	0.241	25%	0.248	C	C	.	.			trans	-74.6	142.2	-177.6	-170.3	-88.5	0	0	0	113	M160 D161 G162 L178 P179 L183 P184	M160-F181 VanDerWaalsContact O-CE1 3.26Å; M160-F181 WeakPolarHBondContact O-CE1 3.32Å; D161-F181 VanDerWaalsContact C-CD1 3.43Å; D161-F181 VanDerWaalsContact O-CD1 3.29Å; D161-F181 WeakPolarHBondContact O-CD1 3.3Å; G162-F181 VanDerWaalsContact N-CE1 3.28Å; G162-F181 VanDerWaalsContact N-CZ 3.27Å; L178-F181 HydrophobicContact CB-CD2 4.4Å; L178-F181 HydrophobicContact CD1-CD2 4.39Å; P179-F181 VanDerWaalsContact C-N 3.3Å; P179-F181 PolarHBondContact O-N 2.87Å; F181-L183 WeakPolarHBondContact CE2-O 3.45Å; F181-P184 HydrophobicContact CE2-CB 4.27Å; F181-P184 VanDerWaalsContact CZ-CA 3.46Å; F181-P184 HydrophobicContact CZ-CB 3.84Å; F181-P184 HydrophobicContact CZ-CG 4.38Å
182	L	90.8	Very high	90.9	Very high	131 Å²	131	45 Å²	45	69%	0.686	25%	0.247	S	C	*	.	S	Bend	trans	-138.6	-46.4	172.9	-179.7	66.3	0	0	0	111	S201	L182-S201 WeakPolarHBondContact CB-OG 3.33Å
183	L	92.7	Very high	90.9	Very high	115 Å²	115	42.7 Å²	42.7	60%	0.602	24%	0.242	S	C	*	.	S	Bend	trans	-133.1	145.7	175.9	-68.3	173.9	0	0	0	109.5	F181	F181-L183 WeakPolarHBondContact CE2-O 3.45Å
184	P	93.8	Very high	91.1	Very high	34 Å²	34	42.7 Å²	42.7	22%	0.221	24%	0.239	C	C	.	.			trans	-69.2	138	173.7	28.6	-32.5	0	0	0	110.3	C139 M160 F181	C139-P184 HydrophobicContact CB-CB 3.91Å; C139-P184 HydrophobicContact CB-CG 4.06Å; C139-P184 VanDerWaalsContact SG-CB 3.55Å; C139-P184 WeakPolarHBondContact SG-CG 3.45Å; M160-P184 HydrophobicContact CE-CG 4.25Å; M160-P184 HydrophobicContact SD-CG 4.15Å; F181-P184 HydrophobicContact CE2-CB 4.27Å; F181-P184 VanDerWaalsContact CZ-CA 3.46Å; F181-P184 HydrophobicContact CZ-CB 3.84Å; F181-P184 HydrophobicContact CZ-CG 4.38Å
185	G	93.7	Very high	91.3	Very high	10 Å²	10	41.6 Å²	41.6	10%	0.103	24%	0.235	C	C	.	.			trans	-116.4	175.3	169.9	0	0	0	0	0	110.8	N140 Q158 V199	N140-G185 PolarHBondContact ND2-O 3.25Å; Q158-G185 PolarHBondContact OE1-O 3.43Å; G185-V199 WeakPolarHBondContact CA-O 3.47Å
186	P	95.4	Very high	91.6	Very high	10 Å²	10	41.5 Å²	41.5	7%	0.065	23%	0.234	C	C	.	.			trans	-56.8	145.5	177.3	22	-32.1	0	0	0	111.7	T198 A248 I251	P186-T198 VanDerWaalsContact O-CA 3.27Å; P186-T198 WeakPolarHBondContact O-CA 3.46Å; P186-T198 PolarHBondContact O-OG1 3.34Å; P186-A248 WeakPolarHBondContact CD-O 3.48Å; P186-A248 HydrophobicContact CG-CB 3.87Å; P186-I251 HydrophobicContact CB-CB 4.44Å; P186-I251 HydrophobicContact CB-CD1 4Å; P186-I251 HydrophobicContact CB-CG1 3.84Å; P186-I251 HydrophobicContact CG-CD1 3.78Å; P186-I251 HydrophobicContact CG-CG1 3.66Å
187	L	96.1	Very high	91.9	Very high	17 Å²	17	39.5 Å²	39.5	9%	0.089	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.2	-177.8	179.4	71.2	0	0	0	109.7	T142 Q158 L164 F196 L197	T142-L187 HydrophobicContact CG2-CD2 4.03Å; T142-L187 HydrophobicContact CG2-CG 4.05Å; Q158-L187 HydrophobicContact CB-CD2 4.01Å; L164-L187 HydrophobicContact CD2-CD1 4.21Å; L164-L187 HydrophobicContact CD2-CD2 3.69Å; L187-F196 HydrophobicContact CD1-CB 4.38Å; L187-F196 HydrophobicContact CD1-CD1 4.39Å; L187-L197 WeakPolarHBondContact CA-O 3.49Å
188	V	95.8	Very high	92.2	Very high	21 Å²	21	37.1 Å²	37.1	13%	0.127	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	146.2	175.6	68.6	0	0	0	0	111.5	L197 I251 V253	V188-L197 HydrophobicContact CG1-CB 3.95Å; V188-L197 HydrophobicContact CG1-CD1 4.35Å; V188-L197 PolarHBondContact N-O 2.99Å; V188-L197 PolarHBondContact O-N 3.43Å; V188-I251 HydrophobicContact CG1-CB 3.91Å; V188-I251 HydrophobicContact CG1-CG2 3.46Å; V188-I251 VanDerWaalsContact CG1-CG2 3.46Å; V188-V253 HydrophobicContact CG1-CG2 3.76Å; V188-V253 HydrophobicContact CG2-CB 4.48Å; V188-V253 HydrophobicContact CG2-CG2 4.16Å
189	Y	94.9	Very high	92.4	Very high	11 Å²	11	36.5 Å²	36.5	4%	0.043	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	131.8	173.2	174.8	-111.5	0	0	0	111.7	T142 T145 F146 P191 D194 F196	T142-Y189 PolarHBondContact OG1-N 3.34Å; T145-Y189 PolarHBondContact O-OH 3.06Å; F146-Y189 AromaticContact CD1-CD1 3.88Å; F146-Y189 HydrophobicContact CD1-CD1 3.88Å; F146-Y189 AromaticContact CD1-CD2 3.79Å; F146-Y189 HydrophobicContact CD1-CD2 3.79Å; F146-Y189 AromaticContact CD1-CE1 3.87Å; F146-Y189 HydrophobicContact CD1-CE1 3.87Å; F146-Y189 AromaticContact CD1-CE2 3.81Å; F146-Y189 HydrophobicContact CD1-CE2 3.81Å; F146-Y189 AromaticContact CD1-CG 3.83Å; F146-Y189 HydrophobicContact CD1-CG 3.83Å; F146-Y189 AromaticContact CD1-CZ 3.85Å; F146-Y189 AromaticContact CE1-CD1 3.88Å; F146-Y189 HydrophobicContact CE1-CD1 3.88Å; F146-Y189 AromaticContact CE1-CD2 3.98Å; F146-Y189 HydrophobicContact CE1-CD2 3.98Å; F146-Y189 HydrophobicContact CE1-CE1 4.34Å; F146-Y189 HydrophobicContact CE1-CE2 4.45Å; F146-Y189 AromaticContact CE1-CG 3.66Å; F146-Y189 HydrophobicContact CE1-CG 3.66Å; Y189-P191 HydrophobicContact CD1-CB 4.44Å; Y189-P191 HydrophobicContact CE1-CB 3.85Å; Y189-P191 WeakPolarHBondContact O-CD 3.49Å; Y189-D194 WeakPolarHBondContact CE2-OD1 3.5Å; Y189-D194 PolarHBondContact OH-OD1 3.48Å; Y189-F196 HydrophobicContact CD2-CD1 4.4Å; Y189-F196 HydrophobicContact CD2-CD2 4.18Å; Y189-F196 AromaticContact CD2-CE1 3.98Å; Y189-F196 HydrophobicContact CD2-CE1 3.98Å; Y189-F196 AromaticContact CD2-CE2 3.69Å; Y189-F196 HydrophobicContact CD2-CE2 3.69Å; Y189-F196 HydrophobicContact CD2-CG 4.48Å; Y189-F196 AromaticContact CD2-CZ 3.57Å; Y189-F196 HydrophobicContact CD2-CZ 3.57Å; Y189-F196 HydrophobicContact CE2-CE2 4.07Å; Y189-F196 HydrophobicContact CE2-CZ 4.21Å; Y189-F196 HydrophobicContact CG-CE1 4.34Å; Y189-F196 HydrophobicContact CG-CZ 4.24Å
190	N	93.1	Very high	92.7	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.011	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	103.8	173.5	-178.7	0.3	0	0	0	110.2	R192 T193 D194 S195 L197 V253 D276	N190-R192 PolarHBondContact O-N 3.47Å; N190-R192 WeakPolarHBondContact OD1-CB 3.41Å; N190-R192 PolarHBondContact OD1-N 3.27Å; N190-R192 VanDerWaalsContact OD1-N 3.11Å; N190-T193 VanDerWaalsContact CG-OG1 3.31Å; N190-T193 PolarHBondContact ND2-OG1 2.82Å; N190-T193 PolarHBondContact O-N 2.98Å; N190-D194 PolarHBondContact O-N 2.97Å; N190-S195 PolarHBondContact N-O 3.23Å; N190-S195 PolarHBondContact O-N 3.18Å; N190-L197 HydrophobicContact CB-CD1 4.12Å; N190-V253 HydrophobicContact CB-CG1 4.15Å; N190-V253 HydrophobicContact CB-CG2 4.36Å; N190-D276 PolarHBondContact ND2-OD1 3.42Å
191	P	89.1	Confident	93.1	Very high	65 Å²	65	33.6 Å²	33.6	42%	0.422	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-19.8	-177.2	26.8	-34.8	0	0	0	113.7	Y189	Y189-P191 HydrophobicContact CD1-CB 4.44Å; Y189-P191 HydrophobicContact CE1-CB 3.85Å; Y189-P191 WeakPolarHBondContact O-CD 3.49Å
192	R	88.4	Confident	93.2	Very high	91 Å²	91	33.7 Å²	33.7	34%	0.343	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-34.4	-179.5	-164	-176.1	-53.3	93	5.2	112.3	N190 S260 S261 D276	N190-R192 PolarHBondContact O-N 3.47Å; N190-R192 WeakPolarHBondContact OD1-CB 3.41Å; N190-R192 PolarHBondContact OD1-N 3.27Å; N190-R192 VanDerWaalsContact OD1-N 3.11Å; R192-S260 PolarHBondContact NH2-O 3.45Å; R192-S260 VanDerWaalsContact NH2-O 3.09Å; R192-S261 VanDerWaalsContact NH1-CA 3.29Å; R192-S261 VanDerWaalsContact NH1-CB 3.25Å; R192-S261 PolarHBondContact NH1-OG 3.42Å; R192-D276 VanDerWaalsContact CD-OD2 3.29Å; R192-D276 WeakPolarHBondContact CD-OD2 3.32Å; R192-D276 IonicContact CZ-OD2 2.83Å; R192-D276 IonicContact NE-OD2 2.77Å; R192-D276 IonicContact NH1-OD1 2.85Å; R192-D276 PolarHBondContact NH1-OD1 3.43Å; R192-D276 IonicContact NH1-OD2 3.2Å; R192-D276 PolarHBondContact NH1-OD2 3.17Å
193	T	89.4	Confident	93.4	Very high	46 Å²	46	33.6 Å²	33.6	28%	0.282	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-1.5	-176.3	52.5	0	0	0	0	113.4	N190 S195 D276	N190-T193 VanDerWaalsContact CG-OG1 3.31Å; N190-T193 PolarHBondContact ND2-OG1 2.82Å; N190-T193 PolarHBondContact O-N 2.98Å; T193-S195 VanDerWaalsContact C-N 3.3Å; T193-S195 PolarHBondContact O-N 2.96Å; T193-S195 PolarHBondContact OG1-OG 3.41Å; T193-D276 HydrophobicContact CG2-CB 3.59Å; T193-D276 VanDerWaalsContact CG2-CG 3.47Å
194	D	92.7	Very high	93.4	Very high	41 Å²	41	30.9 Å²	30.9	22%	0.219	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	51	-173.1	-169.7	30.7	0	0	0	111.5	G147 Y189 N190 Y210	G147-D194 WeakPolarHBondContact CA-OD2 3.44Å; G147-D194 PolarHBondContact N-OD1 3.35Å; Y189-D194 WeakPolarHBondContact CE2-OD1 3.5Å; Y189-D194 PolarHBondContact OH-OD1 3.48Å; N190-D194 PolarHBondContact O-N 2.97Å; D194-Y210 PolarHBondContact O-N 3.46Å; D194-Y210 WeakPolarHBondContact OD1-CB 3.49Å
195	S	94	Very high	93.5	Very high	5 Å²	5	29.3 Å²	29.3	4%	0.035	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	146.7	-175.7	70.1	0	0	0	0	113.4	N190 T193 Y208	N190-S195 PolarHBondContact N-O 3.23Å; N190-S195 PolarHBondContact O-N 3.18Å; T193-S195 VanDerWaalsContact C-N 3.3Å; T193-S195 PolarHBondContact O-N 2.96Å; T193-S195 PolarHBondContact OG1-OG 3.41Å; S195-Y208 CarbonylContact C-O 3.53Å; S195-Y208 VanDerWaalsContact CA-O 3.29Å; S195-Y208 WeakPolarHBondContact CA-O 3.35Å
196	F	95.7	Very high	93.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	127.3	172.5	-70.1	-92.4	0	0	0	109.2	T142 F146 C156 F166 L187 Y189 G207 Y208 Y210 L213	T142-F196 HydrophobicContact CG2-CD1 4.21Å; T142-F196 HydrophobicContact CG2-CE1 3.96Å; F146-F196 HydrophobicContact CD1-CE1 4.36Å; F146-F196 HydrophobicContact CD1-CE2 4.38Å; F146-F196 AromaticContact CD1-CZ 3.56Å; F146-F196 HydrophobicContact CD1-CZ 3.56Å; F146-F196 HydrophobicContact CD2-CZ 4.1Å; F146-F196 AromaticContact CE1-CE1 3.8Å; F146-F196 HydrophobicContact CE1-CE1 3.8Å; F146-F196 AromaticContact CE1-CZ 3.45Å; F146-F196 HydrophobicContact CE1-CZ 3.45Å; F146-F196 VanDerWaalsContact CE1-CZ 3.45Å; F146-F196 HydrophobicContact CE2-CE1 4.43Å; F146-F196 AromaticContact CE2-CZ 3.99Å; F146-F196 HydrophobicContact CE2-CZ 3.99Å; F146-F196 AromaticContact CG-CZ 3.91Å; F146-F196 HydrophobicContact CG-CZ 3.91Å; F146-F196 AromaticContact CZ-CE1 3.85Å; F146-F196 HydrophobicContact CZ-CE1 3.85Å; F146-F196 AromaticContact CZ-CZ 3.69Å; F146-F196 HydrophobicContact CZ-CZ 3.69Å; C156-F196 HydrophobicContact CB-CD1 4.48Å; C156-F196 HydrophobicContact CB-CE1 3.65Å; C156-F196 HydrophobicContact CB-CZ 4.31Å; F166-F196 HydrophobicContact CD1-CZ 4.3Å; F166-F196 HydrophobicContact CE1-CD2 4.33Å; F166-F196 AromaticContact CE1-CE1 3.86Å; F166-F196 HydrophobicContact CE1-CE1 3.86Å; F166-F196 AromaticContact CE1-CE2 3.7Å; F166-F196 HydrophobicContact CE1-CE2 3.7Å; F166-F196 AromaticContact CE1-CZ 3.44Å; F166-F196 HydrophobicContact CE1-CZ 3.44Å; F166-F196 VanDerWaalsContact CE1-CZ 3.44Å; F166-F196 HydrophobicContact CZ-CD2 4.49Å; F166-F196 HydrophobicContact CZ-CE2 4.26Å; F166-F196 HydrophobicContact CZ-CZ 4.31Å; L187-F196 HydrophobicContact CD1-CB 4.38Å; L187-F196 HydrophobicContact CD1-CD1 4.39Å; Y189-F196 HydrophobicContact CD2-CD1 4.4Å; Y189-F196 HydrophobicContact CD2-CD2 4.18Å; Y189-F196 AromaticContact CD2-CE1 3.98Å; Y189-F196 HydrophobicContact CD2-CE1 3.98Å; Y189-F196 AromaticContact CD2-CE2 3.69Å; Y189-F196 HydrophobicContact CD2-CE2 3.69Å; Y189-F196 HydrophobicContact CD2-CG 4.48Å; Y189-F196 AromaticContact CD2-CZ 3.57Å; Y189-F196 HydrophobicContact CD2-CZ 3.57Å; Y189-F196 HydrophobicContact CE2-CE2 4.07Å; Y189-F196 HydrophobicContact CE2-CZ 4.21Å; Y189-F196 HydrophobicContact CG-CE1 4.34Å; Y189-F196 HydrophobicContact CG-CZ 4.24Å; F196-G207 CarbonylContact O-C 3.51Å; F196-G207 WeakPolarHBondContact O-CA 3.41Å; F196-Y208 PolarHBondContact N-O 3.41Å; F196-Y208 PolarHBondContact O-N 3.12Å; F196-Y210 AromaticContact CE2-CD2 3.7Å; F196-Y210 HydrophobicContact CE2-CD2 3.7Å; F196-Y210 HydrophobicContact CE2-CG 4.27Å; F196-Y210 HydrophobicContact CZ-CD2 4.39Å; F196-L213 HydrophobicContact CB-CD1 4.32Å; F196-L213 HydrophobicContact CD2-CD1 3.73Å; F196-L213 HydrophobicContact CG-CD1 4.22Å
197	L	96.1	Very high	93.5	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128	-179.5	-56.5	174.2	0	0	0	108.5	L187 V188 N190 L205 E206 W240 V253 I263	L187-L197 WeakPolarHBondContact CA-O 3.49Å; V188-L197 HydrophobicContact CG1-CB 3.95Å; V188-L197 HydrophobicContact CG1-CD1 4.35Å; V188-L197 PolarHBondContact N-O 2.99Å; V188-L197 PolarHBondContact O-N 3.43Å; N190-L197 HydrophobicContact CB-CD1 4.12Å; L197-L205 HydrophobicContact CB-CD1 4.46Å; L197-E206 WeakPolarHBondContact CA-O 3.3Å; L197-W240 HydrophobicContact CD2-CH2 4.16Å; L197-W240 HydrophobicContact CD2-CZ2 3.68Å; L197-V253 HydrophobicContact CD1-CG2 3.81Å; L197-I263 HydrophobicContact CD1-CB 4.36Å; L197-I263 HydrophobicContact CD1-CD1 3.59Å; L197-I263 HydrophobicContact CD1-CG1 3.76Å; L197-I263 HydrophobicContact CD1-CG2 3.67Å; L197-I263 HydrophobicContact CD2-CD1 4.41Å
198	T	95.8	Very high	93.4	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.025	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	154.6	175.7	-168.7	0	0	0	0	111.2	L178 P186 E206 Y208	L178-T198 HydrophobicContact CD1-CG2 4.13Å; P186-T198 VanDerWaalsContact O-CA 3.27Å; P186-T198 WeakPolarHBondContact O-CA 3.46Å; P186-T198 PolarHBondContact O-OG1 3.34Å; T198-E206 PolarHBondContact N-O 2.91Å; T198-E206 PolarHBondContact O-N 2.89Å; T198-Y208 HydrophobicContact CG2-CD2 4.47Å; T198-Y208 HydrophobicContact CG2-CE2 4.11Å
199	V	95.5	Very high	93.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.3	174.8	172.8	0	0	0	0	109.3	G185 Q204 L205 L244 A248 I251 V265	G185-V199 WeakPolarHBondContact CA-O 3.47Å; V199-Q204 CarbonylContact C-O 3.57Å; V199-Q204 VanDerWaalsContact CA-O 3.31Å; V199-Q204 WeakPolarHBondContact CA-O 3.42Å; V199-L205 HydrophobicContact CG2-CB 4.15Å; V199-L205 HydrophobicContact CG2-CD1 3.6Å; V199-L205 HydrophobicContact CG2-CG 4.49Å; V199-L244 HydrophobicContact CB-CD1 4.46Å; V199-L244 HydrophobicContact CG1-CD1 3.9Å; V199-L244 HydrophobicContact CG2-CD1 3.61Å; V199-A248 HydrophobicContact CB-CB 3.96Å; V199-A248 HydrophobicContact CG1-CB 4.01Å; V199-A248 HydrophobicContact CG2-CB 3.75Å; V199-I251 HydrophobicContact CB-CD1 4.46Å; V199-I251 HydrophobicContact CG2-CD1 3.74Å; V199-I251 HydrophobicContact CG2-CG1 4.39Å; V199-V265 HydrophobicContact CG2-CG1 4.37Å
200	S	92.8	Very high	93.2	Very high	13 Å²	13	32.2 Å²	32.2	9%	0.091	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	162.2	-178.3	70.4	0	0	0	0	112.7	A202 R203 Q204 E206 Q247	S200-A202 PolarHBondContact O-N 3.45Å; S200-R203 PolarHBondContact O-N 3.24Å; S200-Q204 PolarHBondContact N-O 2.85Å; S200-E206 WeakPolarHBondContact CB-OE1 3.33Å; S200-E206 PolarHBondContact OG-OE1 2.92Å; S200-Q247 PolarHBondContact O-NE2 3.45Å; S200-Q247 PolarHBondContact O-OE1 2.9Å
201	S	90.8	Very high	93.1	Very high	34 Å²	34	38.9 Å²	38.9	24%	0.238	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-20.5	173.8	69.4	0	0	0	0	114	L182 R203 Q247	L182-S201 WeakPolarHBondContact CB-OG 3.33Å; S201-R203 PolarHBondContact O-N 2.82Å; S201-Q247 VanDerWaalsContact C-NE2 3.29Å; S201-Q247 VanDerWaalsContact CA-NE2 3.27Å; S201-Q247 PolarHBondContact O-NE2 3.01Å
202	A	91.5	Very high	93.1	Very high	56 Å²	56	38.7 Å²	38.7	46%	0.463	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	2.6	173.2	0	0	0	0	0	113.9	S200 Q204	S200-A202 PolarHBondContact O-N 3.45Å; A202-Q204 HydrophobicContact CB-CG 4.23Å
203	R	94	Very high	93.2	Very high	130 Å²	130	34.3 Å²	34.3	49%	0.491	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	40.3	-178.4	-58.8	173.2	-78	-172.7	-11	112.1	S200 S201 L244 G245 E246 Q247	S200-R203 PolarHBondContact O-N 3.24Å; S201-R203 PolarHBondContact O-N 2.82Å; R203-L244 PolarHBondContact O-N 2.71Å; R203-G245 WeakPolarHBondContact CD-O 3.45Å; R203-G245 PolarHBondContact NH1-O 2.73Å; R203-E246 WeakPolarHBondContact CB-O 3.49Å; R203-Q247 HydrophobicContact CG-CG 4.3Å
204	Q	94	Very high	93.1	Very high	58 Å²	58	33.8 Å²	33.8	27%	0.271	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.4	-179.5	-57.5	-172	-8.6	0	0	109.5	V199 S200 A202 E206 F242 V243	V199-Q204 CarbonylContact C-O 3.57Å; V199-Q204 VanDerWaalsContact CA-O 3.31Å; V199-Q204 WeakPolarHBondContact CA-O 3.42Å; S200-Q204 PolarHBondContact N-O 2.85Å; A202-Q204 HydrophobicContact CB-CG 4.23Å; Q204-E206 HydrophobicContact CB-CG 4.35Å; Q204-F242 CarbonylContact C-O 3.6Å; Q204-F242 VanDerWaalsContact CA-O 3.29Å; Q204-F242 WeakPolarHBondContact CA-O 3.46Å; Q204-V243 HydrophobicContact CG-CG2 4.2Å
205	L	95.4	Very high	92.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	125.1	165	-179.8	71.7	0	0	0	108.4	L197 V199 W240 T241 F242 L244 I251 I263 V265 L274	L197-L205 HydrophobicContact CB-CD1 4.46Å; V199-L205 HydrophobicContact CG2-CB 4.15Å; V199-L205 HydrophobicContact CG2-CD1 3.6Å; V199-L205 HydrophobicContact CG2-CG 4.49Å; L205-W240 HydrophobicContact CD2-CH2 3.59Å; L205-W240 HydrophobicContact CD2-CZ3 3.81Å; L205-W240 HydrophobicContact CG-CH2 4.06Å; L205-W240 HydrophobicContact CG-CZ3 4.08Å; L205-T241 CarbonylContact O-C 3.53Å; L205-T241 VanDerWaalsContact O-CA 3.28Å; L205-T241 WeakPolarHBondContact O-CA 3.39Å; L205-F242 HydrophobicContact CB-CB 4.46Å; L205-F242 PolarHBondContact N-O 3.19Å; L205-F242 PolarHBondContact O-N 3.02Å; L205-L244 HydrophobicContact CB-CD1 4.2Å; L205-L244 HydrophobicContact CB-CG 4.39Å; L205-I251 HydrophobicContact CD1-CD1 3.93Å; L205-I263 HydrophobicContact CD2-CG2 4.4Å; L205-V265 HydrophobicContact CD1-CG2 4.26Å; L205-V265 HydrophobicContact CD2-CG2 4.01Å; L205-L274 HydrophobicContact CD2-CD1 3.32Å
206	E	94.7	Very high	92.2	Very high	15 Å²	15	37.6 Å²	37.6	7%	0.07	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	131.5	-174.6	-61.3	171.4	-172.6	0	0	109.3	L197 T198 S200 Q204 Y208 P238 T241	L197-E206 WeakPolarHBondContact CA-O 3.3Å; T198-E206 PolarHBondContact N-O 2.91Å; T198-E206 PolarHBondContact O-N 2.89Å; S200-E206 WeakPolarHBondContact CB-OE1 3.33Å; S200-E206 PolarHBondContact OG-OE1 2.92Å; Q204-E206 HydrophobicContact CB-CG 4.35Å; E206-Y208 HydrophobicContact CB-CD2 4.34Å; E206-Y208 HydrophobicContact CB-CE2 3.53Å; E206-Y208 WeakPolarHBondContact OE2-CE2 3.46Å; E206-Y208 PolarHBondContact OE2-OH 2.96Å; E206-P238 HydrophobicContact CB-CB 4.26Å; E206-T241 HydrophobicContact CG-CG2 4.1Å
207	G	94.3	Very high	90.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.9	175.4	0	0	0	0	0	112.1	F196 D239 W240	F196-G207 CarbonylContact O-C 3.51Å; F196-G207 WeakPolarHBondContact O-CA 3.41Å; G207-D239 WeakPolarHBondContact O-CB 3.45Å; G207-D239 PolarHBondContact O-N 3.22Å; G207-W240 PolarHBondContact N-O 3.22Å; G207-W240 VanDerWaalsContact N-O 3.08Å
208	Y	94.1	Very high	89.3	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.016	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.6	179.9	-63.7	-85.8	0	0	0	110.4	L178 P179 S195 F196 T198 E206 L236 P238	L178-Y208 HydrophobicContact CD2-CD2 4.09Å; L178-Y208 HydrophobicContact CD2-CE2 3.75Å; P179-Y208 WeakPolarHBondContact CD-OH 3.36Å; P179-Y208 HydrophobicContact CG-CE1 4.3Å; P179-Y208 WeakPolarHBondContact CG-OH 3.4Å; S195-Y208 CarbonylContact C-O 3.53Å; S195-Y208 VanDerWaalsContact CA-O 3.29Å; S195-Y208 WeakPolarHBondContact CA-O 3.35Å; F196-Y208 PolarHBondContact N-O 3.41Å; F196-Y208 PolarHBondContact O-N 3.12Å; T198-Y208 HydrophobicContact CG2-CD2 4.47Å; T198-Y208 HydrophobicContact CG2-CE2 4.11Å; E206-Y208 HydrophobicContact CB-CD2 4.34Å; E206-Y208 HydrophobicContact CB-CE2 3.53Å; E206-Y208 WeakPolarHBondContact OE2-CE2 3.46Å; E206-Y208 PolarHBondContact OE2-OH 2.96Å; Y208-L236 HydrophobicContact CD1-CD1 4.12Å; Y208-L236 HydrophobicContact CD1-CD2 4.34Å; Y208-L236 HydrophobicContact CD1-CG 4.17Å; Y208-L236 HydrophobicContact CE1-CD2 4.3Å; Y208-L236 HydrophobicContact CE1-CG 4.12Å; Y208-P238 HydrophobicContact CD1-CB 4.34Å; Y208-P238 HydrophobicContact CE1-CB 3.82Å; Y208-P238 HydrophobicContact CE1-CG 4.47Å; Y208-P238 HydrophobicContact CE2-CB 4.48Å
209	K	93.3	Very high	87.1	Confident	80 Å²	80	48.7 Å²	48.7	35%	0.348	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	139.3	174.9	-73.9	176.4	176	144.4	0	111.1	E211 T212 L213 D239	K209-E211 VanDerWaalsContact C-N 3.34Å; K209-E211 PolarHBondContact O-N 3.17Å; K209-T212 WeakPolarHBondContact O-CB 3.08Å; K209-T212 PolarHBondContact O-N 2.82Å; K209-T212 VanDerWaalsContact O-N 3.1Å; K209-L213 PolarHBondContact O-N 3.36Å; K209-L213 VanDerWaalsContact O-N 3.1Å; K209-D239 WeakPolarHBondContact CE-OD2 3.41Å; K209-D239 HydrophobicContact CG-CB 4.47Å; K209-D239 IonicContact NZ-OD1 2.71Å; K209-D239 PolarHBondContact NZ-OD1 3.44Å; K209-D239 IonicContact NZ-OD2 3.85Å; K209-D239 PolarHBondContact NZ-OD2 2.96Å
210	Y	92.4	Very high	84.7	Confident	32 Å²	32	54.7 Å²	54.7	13%	0.125	31%	0.305	C	S	.	.	H	α-helix	trans	-58.3	-44.9	179.9	177.8	-113.2	0	0	0	112.2	F146 F166 F174 D194 F196 T212 L213 A214	F146-Y210 HydrophobicContact CB-CD1 4.33Å; F146-Y210 HydrophobicContact CB-CD2 4.1Å; F146-Y210 HydrophobicContact CB-CE1 4.13Å; F146-Y210 HydrophobicContact CB-CE2 3.86Å; F146-Y210 HydrophobicContact CB-CG 4.31Å; F146-Y210 HydrophobicContact CD2-CE2 4.32Å; F146-Y210 HydrophobicContact CG-CE2 4.39Å; F166-Y210 HydrophobicContact CD1-CD2 4.41Å; F166-Y210 AromaticContact CD1-CE2 3.92Å; F166-Y210 HydrophobicContact CD1-CE2 3.92Å; F166-Y210 HydrophobicContact CE1-CD2 4.14Å; F166-Y210 HydrophobicContact CE1-CE2 4.11Å; F174-Y210 HydrophobicContact CE1-CE2 4.14Å; F174-Y210 AromaticContact CZ-CE2 3.84Å; F174-Y210 HydrophobicContact CZ-CE2 3.84Å; D194-Y210 PolarHBondContact O-N 3.46Å; D194-Y210 WeakPolarHBondContact OD1-CB 3.49Å; F196-Y210 AromaticContact CE2-CD2 3.7Å; F196-Y210 HydrophobicContact CE2-CD2 3.7Å; F196-Y210 HydrophobicContact CE2-CG 4.27Å; F196-Y210 HydrophobicContact CZ-CD2 4.39Å; Y210-T212 VanDerWaalsContact C-N 3.26Å; Y210-T212 PolarHBondContact O-N 3.34Å; Y210-L213 WeakPolarHBondContact O-CB 3.48Å; Y210-L213 PolarHBondContact O-N 2.94Å; Y210-L213 VanDerWaalsContact O-N 3.08Å; Y210-A214 PolarHBondContact O-N 2.78Å
211	E	90.3	Very high	82.1	Confident	142 Å²	142	59 Å²	59	66%	0.664	34%	0.335	S	S	*	.	H	α-helix	trans	-55.8	-41.1	175.7	-174.1	-173.4	177.9	0	0	112.3	K209 A214 V215	K209-E211 VanDerWaalsContact C-N 3.34Å; K209-E211 PolarHBondContact O-N 3.17Å; E211-A214 PolarHBondContact O-N 2.83Å; E211-V215 WeakPolarHBondContact O-CG2 3.46Å; E211-V215 PolarHBondContact O-N 3.36Å
212	T	90.1	Very high	79.8	Confident	60 Å²	60	68.3 Å²	68.3	37%	0.368	37%	0.365	S	S	.	.	H	α-helix	trans	-68.1	-37.9	179.4	-56.7	0	0	0	0	111.3	K209 Y210 A216 L236	K209-T212 WeakPolarHBondContact O-CB 3.08Å; K209-T212 PolarHBondContact O-N 2.82Å; K209-T212 VanDerWaalsContact O-N 3.1Å; Y210-T212 VanDerWaalsContact C-N 3.26Å; Y210-T212 PolarHBondContact O-N 3.34Å; T212-A216 VanDerWaalsContact O-CB 3.26Å; T212-A216 WeakPolarHBondContact O-CB 3.24Å; T212-A216 PolarHBondContact O-N 2.97Å; T212-L236 HydrophobicContact CG2-CD1 4.03Å
213	L	90	Very high	77.2	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-66.6	-43.4	174.8	-69.9	165	0	0	0	111.3	L164 F166 F174 R176 F196 K209 Y210 V215 L236	L164-L213 HydrophobicContact CD1-CD1 4.37Å; F166-L213 HydrophobicContact CZ-CD1 3.98Å; F174-L213 HydrophobicContact CE2-CB 4.33Å; R176-L213 HydrophobicContact CB-CD2 4.22Å; R176-L213 WeakPolarHBondContact CD-O 3.47Å; R176-L213 HydrophobicContact CG-CD2 4.45Å; R176-L213 VanDerWaalsContact CG-O 3.24Å; R176-L213 WeakPolarHBondContact CG-O 3.31Å; R176-L213 PolarHBondContact NE-O 2.96Å; F196-L213 HydrophobicContact CB-CD1 4.32Å; F196-L213 HydrophobicContact CD2-CD1 3.73Å; F196-L213 HydrophobicContact CG-CD1 4.22Å; K209-L213 PolarHBondContact O-N 3.36Å; K209-L213 VanDerWaalsContact O-N 3.1Å; Y210-L213 WeakPolarHBondContact O-CB 3.48Å; Y210-L213 PolarHBondContact O-N 2.94Å; Y210-L213 VanDerWaalsContact O-N 3.08Å; L213-V215 PolarHBondContact O-N 3.39Å; L213-L236 HydrophobicContact CD2-CD1 3.78Å; L213-L236 HydrophobicContact CD2-CD2 3.63Å; L213-L236 HydrophobicContact CD2-CG 4.36Å; L213-L236 HydrophobicContact CG-CD1 4.45Å
214	A	87.4	Confident	74.2	Confident	35 Å²	35	76.1 Å²	76.1	29%	0.289	40%	0.403	S	S	.	.	H	α-helix	trans	-61.6	-45.1	179	0	0	0	0	0	112.3	F174 R176 Y210 E211	F174-A214 HydrophobicContact CE1-CB 3.94Å; F174-A214 HydrophobicContact CE2-CB 4.43Å; F174-A214 VanDerWaalsContact CZ-CA 3.46Å; F174-A214 HydrophobicContact CZ-CB 3.74Å; R176-A214 PolarHBondContact NH2-O 3.07Å; Y210-A214 PolarHBondContact O-N 2.78Å; E211-A214 PolarHBondContact O-N 2.83Å
215	V	86.3	Confident	71.7	Confident	113 Å²	113	78.4 Å²	78.4	69%	0.685	43%	0.425	S	S	*	.	H	α-helix	trans	-81.8	-22.9	-175.3	178.6	0	0	0	0	113.5	E211 L213 T217	E211-V215 WeakPolarHBondContact O-CG2 3.46Å; E211-V215 PolarHBondContact O-N 3.36Å; L213-V215 PolarHBondContact O-N 3.39Å; V215-T217 PolarHBondContact O-N 2.9Å
216	A	81.4	Confident	69	Low	12 Å²	12	85.8 Å²	85.8	10%	0.099	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-58.1	138.2	179.8	0	0	0	0	0	111.7	R176 T212 L236	R176-A216 PolarHBondContact NE-O 3.22Å; R176-A216 PolarHBondContact NH2-O 3.09Å; T212-A216 VanDerWaalsContact O-CB 3.26Å; T212-A216 WeakPolarHBondContact O-CB 3.24Å; T212-A216 PolarHBondContact O-N 2.97Å; A216-L236 HydrophobicContact CB-CB 4.46Å; A216-L236 HydrophobicContact CB-CD1 4.27Å
217	T	69.7	Low	66.3	Low	90 Å²	90	93.3 Å²	93.3	55%	0.552	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-88.9	139.4	174.9	42.6	0	0	0	0	110.9	V215 G233	V215-T217 PolarHBondContact O-N 2.9Å; T217-G233 WeakPolarHBondContact OG1-CA 3.48Å
218	D	61.5	Low	63.4	Low	59 Å²	59	100.7 Å²	100.7	32%	0.316	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-58.4	137	175.2	-112	-24.1	0	0	0	111.5	E220	D218-E220 PolarHBondContact O-N 3.29Å
219	A	50.7	Low	60.7	Low	89 Å²	89	106.7 Å²	106.7	74%	0.736	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-13.1	173.7	0	0	0	0	0	112.5
220	E	43.1	Very low	57.9	Low	126 Å²	126	112 Å²	112	59%	0.589	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	3	-171.2	-70.9	-162.1	150.6	0	0	116	R136 D218 R222	R136-E220 IonicContact NH2-OE2 2.7Å; D218-E220 PolarHBondContact O-N 3.29Å; E220-R222 PolarHBondContact O-N 2.79Å
221	S	39.7	Very low	55.1	Low	103 Å²	103	117.1 Å²	117.1	72%	0.72	64%	0.641	S	S	*	*			trans	-76	39	165.6	58	0	0	0	0	112.8
222	R	41.3	Very low	52.8	Low	230 Å²	230	114.4 Å²	114.4	87%	0.868	65%	0.651	S	S	*	*			trans	-112.4	43	175.5	-77.1	-170.3	174	179.8	-0	112.2	E220	E220-R222 PolarHBondContact O-N 2.79Å
223	Q	36.7	Very low	50.6	Low	187 Å²	187	113.7 Å²	113.7	87%	0.874	66%	0.655	S	S	*	*			trans	-111.4	1.6	168.3	-89.4	-170.9	0.5	0	0	115.4
224	D	31.6	Very low	49.1	Very low	163 Å²	163	122.8 Å²	122.8	87%	0.872	70%	0.695	S	S	*	*			trans	-103.3	96.3	164.5	-80.4	-29.4	0	0	0	110.3	D226	D224-D226 PolarHBondContact O-N 3.38Å
225	S	42.1	Very low	48.1	Very low	106 Å²	106	131.1 Å²	131.1	74%	0.741	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	103.1	161.3	56.1	0	0	0	0	108.4
226	D	37.4	Very low	48	Very low	155 Å²	155	126.7 Å²	126.7	83%	0.829	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	167.7	18.9	141.4	-85.9	-12.2	0	0	0	116.3	D224	D224-D226 PolarHBondContact O-N 3.38Å
227	L	38.8	Very low	48.2	Very low	173 Å²	173	130.4 Å²	130.4	91%	0.906	71%	0.713	S	S	*	*	S	Bend	trans	-127.7	132.8	170	-69.9	169.4	0	0	0	113.5
228	L	34.4	Very low	49.2	Very low	156 Å²	156	128 Å²	128	82%	0.817	70%	0.699	S	S	*	*			trans	-47.9	142.8	-177.7	-74.3	147.9	0	0	0	113.5	K230	L228-K230 PolarHBondContact O-N 3.23Å
229	P	36.7	Very low	50.6	Low	130 Å²	130	129.3 Å²	129.3	84%	0.844	71%	0.706	S	S	*	*			trans	-72.9	97.7	-177.1	30.7	-32.4	0	0	0	110
230	K	34	Very low	52.6	Low	191 Å²	191	126.8 Å²	126.8	83%	0.83	68%	0.677	S	S	*	*			trans	-91.5	128	164	-76.9	-175.9	176.8	177.4	0	109.1	L228	L228-K230 PolarHBondContact O-N 3.23Å
231	T	34.8	Very low	55	Low	140 Å²	140	124.2 Å²	124.2	86%	0.859	67%	0.67	S	S	*	*	S	Bend	trans	65.7	109.7	170	43.3	0	0	0	0	117.3	G233	T231-G233 PolarHBondContact O-N 3Å
232	G	40.3	Very low	57.7	Low	85 Å²	85	121.4 Å²	121.4	88%	0.876	65%	0.645	S	S	*	*			trans	-65.9	110.1	175.8	0	0	0	0	0	112.5
233	G	45.4	Very low	60.2	Low	45 Å²	45	114.7 Å²	114.7	46%	0.464	63%	0.629	S	S	.	*	P	Polyproline II helix	trans	-71.6	137.9	165.8	0	0	0	0	0	111.2	T217 T231	T217-G233 WeakPolarHBondContact OG1-CA 3.48Å; T231-G233 PolarHBondContact O-N 3Å
234	K	57.3	Low	62.9	Low	190 Å²	190	106.5 Å²	106.5	83%	0.826	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-72.2	126.7	175.6	-71.7	178.7	178.9	176.6	0	109.1	L236	K234-L236 PolarHBondContact O-N 2.98Å
235	R	67.6	Low	65.8	Low	210 Å²	210	100.9 Å²	100.9	79%	0.792	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-59.3	134	171.4	-172.4	176.8	-176.4	-177.5	0.8	109	T237	R235-T237 PolarHBondContact O-N 3Å
236	L	83.5	Confident	68.2	Low	21 Å²	21	96.7 Å²	96.7	11%	0.11	54%	0.541	C	S	.	.	P	Polyproline II helix	trans	-58.4	123.4	177.1	-177.8	65.1	0	0	0	109.7	F177 Y208 T212 L213 A216 K234	F177-L236 WeakPolarHBondContact O-CD2 3.48Å; Y208-L236 HydrophobicContact CD1-CD1 4.12Å; Y208-L236 HydrophobicContact CD1-CD2 4.34Å; Y208-L236 HydrophobicContact CD1-CG 4.17Å; Y208-L236 HydrophobicContact CE1-CD2 4.3Å; Y208-L236 HydrophobicContact CE1-CG 4.12Å; T212-L236 HydrophobicContact CG2-CD1 4.03Å; L213-L236 HydrophobicContact CD2-CD1 3.78Å; L213-L236 HydrophobicContact CD2-CD2 3.63Å; L213-L236 HydrophobicContact CD2-CG 4.36Å; L213-L236 HydrophobicContact CG-CD1 4.45Å; A216-L236 HydrophobicContact CB-CB 4.46Å; A216-L236 HydrophobicContact CB-CD1 4.27Å; K234-L236 PolarHBondContact O-N 2.98Å
237	T	85.9	Confident	70.9	Confident	90 Å²	90	91.9 Å²	91.9	55%	0.552	51%	0.513	S	S	*	.			trans	-128.8	141.5	175.7	52.9	0	0	0	0	109.2	R235	R235-T237 PolarHBondContact O-N 3Å
238	P	89.9	Confident	73.6	Confident	39 Å²	39	84.1 Å²	84.1	25%	0.253	47%	0.474	S	S	.	.			trans	-62.5	145.9	173.5	26.6	-33.6	0	0	0	110.7	E206 Y208 W240 T241	E206-P238 HydrophobicContact CB-CB 4.26Å; Y208-P238 HydrophobicContact CD1-CB 4.34Å; Y208-P238 HydrophobicContact CE1-CB 3.82Å; Y208-P238 HydrophobicContact CE1-CG 4.47Å; Y208-P238 HydrophobicContact CE2-CB 4.48Å; P238-W240 VanDerWaalsContact C-N 3.33Å; P238-T241 HydrophobicContact CB-CG2 3.79Å; P238-T241 HydrophobicContact CG-CG2 3.38Å
239	D	90.4	Very high	76.5	Confident	86 Å²	86	79.5 Å²	79.5	46%	0.46	45%	0.45	S	S	.	.	S	Bend	trans	-67.2	-38.8	175.5	-170.3	56	0	0	0	110.4	G207 K209	G207-D239 WeakPolarHBondContact O-CB 3.45Å; G207-D239 PolarHBondContact O-N 3.22Å; K209-D239 WeakPolarHBondContact CE-OD2 3.41Å; K209-D239 HydrophobicContact CG-CB 4.47Å; K209-D239 IonicContact NZ-OD1 2.71Å; K209-D239 PolarHBondContact NZ-OD1 3.44Å; K209-D239 IonicContact NZ-OD2 3.85Å; K209-D239 PolarHBondContact NZ-OD2 2.96Å
240	W	93.5	Very high	79.3	Confident	37 Å²	37	74.9 Å²	74.9	14%	0.14	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	158.1	170.4	57.6	-92.1	0	0	0	110.5	L197 L205 G207 P238 F242 I263 D276	L197-W240 HydrophobicContact CD2-CH2 4.16Å; L197-W240 HydrophobicContact CD2-CZ2 3.68Å; L205-W240 HydrophobicContact CD2-CH2 3.59Å; L205-W240 HydrophobicContact CD2-CZ3 3.81Å; L205-W240 HydrophobicContact CG-CH2 4.06Å; L205-W240 HydrophobicContact CG-CZ3 4.08Å; G207-W240 PolarHBondContact N-O 3.22Å; G207-W240 VanDerWaalsContact N-O 3.08Å; P238-W240 VanDerWaalsContact C-N 3.33Å; W240-F242 HydrophobicContact CE3-CB 4.43Å; W240-F242 HydrophobicContact CZ3-CB 4.08Å; W240-I263 HydrophobicContact CH2-CD1 4.34Å; W240-I263 HydrophobicContact CZ2-CD1 4.1Å; W240-D276 PolarHBondContact NE1-O 3.35Å
241	T	94	Very high	82.2	Confident	71 Å²	71	66.1 Å²	66.1	44%	0.436	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	141.6	177.6	60.4	0	0	0	0	110.3	L205 E206 P238	L205-T241 CarbonylContact O-C 3.53Å; L205-T241 VanDerWaalsContact O-CA 3.28Å; L205-T241 WeakPolarHBondContact O-CA 3.39Å; E206-T241 HydrophobicContact CG-CG2 4.1Å; P238-T241 HydrophobicContact CB-CG2 3.79Å; P238-T241 HydrophobicContact CG-CG2 3.38Å
242	F	95.3	Very high	85	Confident	45 Å²	45	60.8 Å²	60.8	20%	0.197	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127	174.2	179.9	-93.1	0	0	0	110.8	Q204 L205 W240 L244 F272 L274 I280	Q204-F242 CarbonylContact C-O 3.6Å; Q204-F242 VanDerWaalsContact CA-O 3.29Å; Q204-F242 WeakPolarHBondContact CA-O 3.46Å; L205-F242 HydrophobicContact CB-CB 4.46Å; L205-F242 PolarHBondContact N-O 3.19Å; L205-F242 PolarHBondContact O-N 3.02Å; W240-F242 HydrophobicContact CE3-CB 4.43Å; W240-F242 HydrophobicContact CZ3-CB 4.08Å; F242-L244 HydrophobicContact CD1-CD2 3.79Å; F242-L244 HydrophobicContact CD1-CG 4.28Å; F242-L244 HydrophobicContact CE1-CD2 3.88Å; F242-L244 PolarHBondContact O-N 2.98Å; F242-F272 HydrophobicContact CE1-CD1 4.48Å; F242-L274 HydrophobicContact CD1-CD1 4.47Å; F242-L274 HydrophobicContact CD1-CD2 4.01Å; F242-L274 HydrophobicContact CD2-CD2 4.2Å; F242-L274 HydrophobicContact CE1-CD2 4.28Å; F242-L274 HydrophobicContact CE2-CD2 4.47Å; F242-L274 HydrophobicContact CG-CD2 3.99Å; F242-I280 HydrophobicContact CE1-CD1 4.27Å; F242-I280 HydrophobicContact CE1-CG1 4.28Å; F242-I280 HydrophobicContact CE2-CD1 3.72Å; F242-I280 HydrophobicContact CE2-CG1 3.64Å; F242-I280 HydrophobicContact CZ-CD1 3.3Å; F242-I280 HydrophobicContact CZ-CG1 3.51Å
243	V	95.1	Very high	87.5	Confident	89 Å²	89	57.7 Å²	57.7	54%	0.539	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	112.2	-179.3	-176.2	0	0	0	0	110	Q204	Q204-V243 HydrophobicContact CG-CG2 4.2Å
244	L	92.6	Very high	89.4	Confident	15 Å²	15	56.2 Å²	56.2	8%	0.079	30%	0.295	C	S	.	.			trans	-80	-32.2	178.8	-64.4	168.3	0	0	0	112.1	V199 R203 L205 F242 E246 V265 F272	V199-L244 HydrophobicContact CB-CD1 4.46Å; V199-L244 HydrophobicContact CG1-CD1 3.9Å; V199-L244 HydrophobicContact CG2-CD1 3.61Å; R203-L244 PolarHBondContact O-N 2.71Å; L205-L244 HydrophobicContact CB-CD1 4.2Å; L205-L244 HydrophobicContact CB-CG 4.39Å; F242-L244 HydrophobicContact CD1-CD2 3.79Å; F242-L244 HydrophobicContact CD1-CG 4.28Å; F242-L244 HydrophobicContact CE1-CD2 3.88Å; F242-L244 PolarHBondContact O-N 2.98Å; L244-E246 PolarHBondContact O-N 3.33Å; L244-V265 HydrophobicContact CD1-CG1 4.01Å; L244-V265 HydrophobicContact CD2-CG1 4.46Å; L244-F272 HydrophobicContact CB-CE2 4.37Å; L244-F272 HydrophobicContact CB-CZ 4.49Å; L244-F272 HydrophobicContact CD2-CB 4.45Å; L244-F272 HydrophobicContact CD2-CD1 4.21Å; L244-F272 HydrophobicContact CD2-CD2 3.64Å; L244-F272 HydrophobicContact CD2-CE1 4.36Å; L244-F272 HydrophobicContact CD2-CE2 3.8Å; L244-F272 HydrophobicContact CD2-CG 3.85Å; L244-F272 HydrophobicContact CD2-CZ 4.16Å
245	G	92.2	Very high	90.2	Very high	45 Å²	45	51.8 Å²	51.8	46%	0.464	29%	0.288	S	S	.	.	S	Bend	trans	84.5	-8.9	-175.4	0	0	0	0	0	114.5	R203	R203-G245 WeakPolarHBondContact CD-O 3.45Å; R203-G245 PolarHBondContact NH1-O 2.73Å
246	E	93.8	Very high	90.3	Very high	18 Å²	18	46.2 Å²	46.2	8%	0.084	27%	0.27	C	S	.	.	S	Bend	trans	-143.5	171	175.4	64.7	-174.5	172.5	0	0	111.2	R203 L244 R269 N270	R203-E246 WeakPolarHBondContact CB-O 3.49Å; L244-E246 PolarHBondContact O-N 3.33Å; E246-R269 VanDerWaalsContact OE2-CB 3.32Å; E246-R269 WeakPolarHBondContact OE2-CB 3.33Å; E246-R269 PolarHBondContact OE2-N 3.48Å; E246-N270 VanDerWaalsContact CD-ND2 3.27Å; E246-N270 WeakPolarHBondContact OE1-CA 3.38Å; E246-N270 WeakPolarHBondContact OE1-CB 3.43Å; E246-N270 PolarHBondContact OE1-N 3.01Å; E246-N270 PolarHBondContact OE1-ND2 3.21Å; E246-N270 PolarHBondContact OE2-ND2 2.88Å
247	Q	94.3	Very high	89.4	Confident	53 Å²	53	47.5 Å²	47.5	25%	0.248	28%	0.28	C	S	.	.			trans	-78.9	158.3	171.6	-71.5	-60	-25.8	0	0	111	S200 S201 R203 G267 E268	S200-Q247 PolarHBondContact O-NE2 3.45Å; S200-Q247 PolarHBondContact O-OE1 2.9Å; S201-Q247 VanDerWaalsContact C-NE2 3.29Å; S201-Q247 VanDerWaalsContact CA-NE2 3.27Å; S201-Q247 PolarHBondContact O-NE2 3.01Å; R203-Q247 HydrophobicContact CG-CG 4.3Å; Q247-G267 WeakPolarHBondContact O-CA 3.06Å; Q247-E268 PolarHBondContact O-N 3.27Å
248	A	95.4	Very high	88.2	Confident	10 Å²	10	52.4 Å²	52.4	8%	0.083	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	135.9	175.1	0	0	0	0	0	110.8	P186 V199 V265 L266	P186-A248 WeakPolarHBondContact CD-O 3.48Å; P186-A248 HydrophobicContact CG-CB 3.87Å; V199-A248 HydrophobicContact CB-CB 3.96Å; V199-A248 HydrophobicContact CG1-CB 4.01Å; V199-A248 HydrophobicContact CG2-CB 3.75Å; A248-V265 HydrophobicContact CB-CG1 3.54Å; A248-L266 CarbonylContact C-O 3.57Å; A248-L266 WeakPolarHBondContact CA-O 3.33Å
249	L	94.2	Very high	86.8	Confident	59 Å²	59	55.9 Å²	55.9	31%	0.309	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	-47.8	171.5	-61.3	176.5	0	0	0	109.9	Q22 L266 E268 P290	Q22-L249 PolarHBondContact NE2-O 3.08Å; Q22-L249 PolarHBondContact OE1-O 2.94Å; L249-L266 HydrophobicContact CB-CD2 4.35Å; L249-L266 HydrophobicContact CD1-CD2 4.19Å; L249-L266 PolarHBondContact N-O 3.02Å; L249-E268 HydrophobicContact CD2-CG 4.49Å; L249-P290 HydrophobicContact CD1-CG 4.14Å; L249-P290 WeakPolarHBondContact CD1-O 3.17Å
250	D	95.5	Very high	85.8	Confident	33 Å²	33	53.4 Å²	53.4	18%	0.176	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	154.1	-174.7	-169.2	16	0	0	0	111.6	L266 F293	D250-L266 PolarHBondContact O-N 2.95Å; D250-F293 HydrophobicContact CB-CD1 4Å; D250-F293 HydrophobicContact CB-CE1 3.62Å
251	I	96	Very high	85.1	Confident	7 Å²	7	52.7 Å²	52.7	4%	0.036	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	131.6	177.7	-51.9	167.6	0	0	0	108.4	P186 V188 V199 L205 I263 L264 V265	P186-I251 HydrophobicContact CB-CB 4.44Å; P186-I251 HydrophobicContact CB-CD1 4Å; P186-I251 HydrophobicContact CB-CG1 3.84Å; P186-I251 HydrophobicContact CG-CD1 3.78Å; P186-I251 HydrophobicContact CG-CG1 3.66Å; V188-I251 HydrophobicContact CG1-CB 3.91Å; V188-I251 HydrophobicContact CG1-CG2 3.46Å; V188-I251 VanDerWaalsContact CG1-CG2 3.46Å; V199-I251 HydrophobicContact CB-CD1 4.46Å; V199-I251 HydrophobicContact CG2-CD1 3.74Å; V199-I251 HydrophobicContact CG2-CG1 4.39Å; L205-I251 HydrophobicContact CD1-CD1 3.93Å; I251-I263 HydrophobicContact CG2-CG2 4.3Å; I251-L264 WeakPolarHBondContact CA-O 3.31Å; I251-L264 WeakPolarHBondContact CG2-O 3.35Å; I251-V265 HydrophobicContact CG1-CG1 4.27Å; I251-V265 HydrophobicContact CG1-CG2 4.34Å; I251-V265 HydrophobicContact CG2-CG2 4.1Å
252	S	93.5	Very high	84.8	Confident	28 Å²	28	49.4 Å²	49.4	20%	0.196	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135.4	178	-171	0	0	0	0	111.7	P254 L264 P295	S252-P254 WeakPolarHBondContact O-CD 3.49Å; S252-L264 PolarHBondContact N-O 3.47Å; S252-L264 PolarHBondContact O-N 3.17Å; S252-P295 WeakPolarHBondContact OG-CD 3.37Å; S252-P295 WeakPolarHBondContact OG-CG 3.18Å
253	V	91.8	Very high	84.8	Confident	20 Å²	20	47.3 Å²	47.3	12%	0.121	28%	0.283	C	S	.	.			trans	-114.7	91	176.1	-175.6	0	0	0	0	108.7	V188 N190 L197 S255 I263	V188-V253 HydrophobicContact CG1-CG2 3.76Å; V188-V253 HydrophobicContact CG2-CB 4.48Å; V188-V253 HydrophobicContact CG2-CG2 4.16Å; N190-V253 HydrophobicContact CB-CG1 4.15Å; N190-V253 HydrophobicContact CB-CG2 4.36Å; L197-V253 HydrophobicContact CD1-CG2 3.81Å; V253-S255 PolarHBondContact O-N 3.31Å; V253-I263 HydrophobicContact CG2-CG1 4.34Å; V253-I263 HydrophobicContact CG2-CG2 4.46Å
254	P	85.3	Confident	84.7	Confident	14 Å²	14	43.2 Å²	43.2	9%	0.091	26%	0.258	C	S	.	.			trans	-66.5	133.9	178.6	24.3	-34.1	0	0	0	112.4	S252 F256 S262 L264 P295 T304	S252-P254 WeakPolarHBondContact O-CD 3.49Å; P254-F256 HydrophobicContact CB-CD2 3.53Å; P254-F256 HydrophobicContact CB-CE2 3.18Å; P254-F256 HydrophobicContact CB-CG 4.32Å; P254-F256 HydrophobicContact CB-CZ 3.72Å; P254-F256 HydrophobicContact CG-CE2 4.25Å; P254-S262 WeakPolarHBondContact CD-O 3.38Å; P254-L264 HydrophobicContact CG-CD1 4.21Å; P254-P295 HydrophobicContact CB-CB 4.22Å; P254-P295 HydrophobicContact CB-CG 4.25Å; P254-P295 HydrophobicContact CG-CB 4.15Å; P254-P295 HydrophobicContact CG-CG 4.25Å; P254-T304 HydrophobicContact CG-CG2 4.4Å
255	S	73.9	Confident	84.9	Confident	97 Å²	97	42.5 Å²	42.5	68%	0.678	25%	0.254	S	S	*	.			trans	-105.9	36.6	178.5	62.2	0	0	0	0	113.2	V253	V253-S255 PolarHBondContact O-N 3.31Å
256	F	70.3	Confident	85.2	Confident	93 Å²	93	40.3 Å²	40.3	41%	0.408	23%	0.232	S	C	.	.	S	Bend	trans	-74.2	-26.4	-174.9	-52.4	-49.1	0	0	0	114.5	P254 P295 Y296 I297	P254-F256 HydrophobicContact CB-CD2 3.53Å; P254-F256 HydrophobicContact CB-CE2 3.18Å; P254-F256 HydrophobicContact CB-CG 4.32Å; P254-F256 HydrophobicContact CB-CZ 3.72Å; P254-F256 HydrophobicContact CG-CE2 4.25Å; F256-P295 HydrophobicContact CE2-CB 4.37Å; F256-P295 WeakPolarHBondContact CZ-O 3.39Å; F256-Y296 WeakPolarHBondContact CE2-O 3.09Å; F256-Y296 VanDerWaalsContact CZ-C 3.45Å; F256-Y296 VanDerWaalsContact CZ-CA 3.44Å; F256-I297 HydrophobicContact CB-CG1 4.38Å; F256-I297 HydrophobicContact CD1-CB 4.12Å; F256-I297 HydrophobicContact CD1-CG1 4.45Å; F256-I297 HydrophobicContact CE1-CB 4.44Å; F256-I297 HydrophobicContact CG-CB 4.33Å; F256-I297 HydrophobicContact CG-CG1 4.38Å
257	S	64.3	Low	85.3	Confident	48 Å²	48	39.5 Å²	39.5	34%	0.336	23%	0.228	S	C	.	.			trans	-146.5	137.4	179.6	174.7	0	0	0	0	111.3	S259	S257-S259 PolarHBondContact O-N 2.81Å; S257-S259 PolarHBondContact OG-N 2.99Å; S257-S259 VanDerWaalsContact OG-N 3.14Å; S257-S259 PolarHBondContact OG-OG 3.31Å
258	H	61.2	Low	85.2	Confident	193 Å²	193	41.4 Å²	41.4	89%	0.894	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-17.8	173.8	-64.6	-74.1	0	0	0	112.9
259	S	60.8	Low	85.2	Confident	112 Å²	112	48.6 Å²	48.6	78%	0.783	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-16.7	-172.4	65.2	0	0	0	0	115.1	S257	S257-S259 PolarHBondContact O-N 2.81Å; S257-S259 PolarHBondContact OG-N 2.99Å; S257-S259 VanDerWaalsContact OG-N 3.14Å; S257-S259 PolarHBondContact OG-OG 3.31Å
260	S	69.5	Low	85.3	Confident	34 Å²	34	47.2 Å²	47.2	24%	0.238	26%	0.255	C	S	.	.			trans	-132.3	124.3	-176.8	62.7	0	0	0	0	112.5	R192	R192-S260 PolarHBondContact NH2-O 3.45Å; R192-S260 VanDerWaalsContact NH2-O 3.09Å
261	S	78	Confident	85.3	Confident	23 Å²	23	45.7 Å²	45.7	16%	0.161	25%	0.247	C	C	.	.			trans	-85.4	129.3	172.4	165.2	0	0	0	0	111.3	R192 D276	R192-S261 VanDerWaalsContact NH1-CA 3.29Å; R192-S261 VanDerWaalsContact NH1-CB 3.25Å; R192-S261 PolarHBondContact NH1-OG 3.42Å; S261-D276 VanDerWaalsContact CB-CG 3.44Å; S261-D276 WeakPolarHBondContact CB-OD2 3.36Å; S261-D276 PolarHBondContact OG-N 3.44Å; S261-D276 PolarHBondContact OG-OD1 2.94Å; S261-D276 PolarHBondContact OG-OD2 3.24Å; S261-D276 VanDerWaalsContact OG-OD2 3.11Å
262	S	88.6	Confident	85.3	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.014	25%	0.247	C	C	.	.			trans	-145.2	116.3	171.7	-57.4	0	0	0	0	109.1	P254 L274 R281	P254-S262 WeakPolarHBondContact CD-O 3.38Å; S262-L274 CarbonylContact C-O 3.54Å; S262-L274 WeakPolarHBondContact CA-O 3.42Å; S262-R281 PolarHBondContact OG-NH1 3.23Å
263	I	93.8	Very high	85.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	112.4	168.7	-62.6	164.5	0	0	0	105.5	L197 L205 W240 I251 V253 V265 C273 L274	L197-I263 HydrophobicContact CD1-CB 4.36Å; L197-I263 HydrophobicContact CD1-CD1 3.59Å; L197-I263 HydrophobicContact CD1-CG1 3.76Å; L197-I263 HydrophobicContact CD1-CG2 3.67Å; L197-I263 HydrophobicContact CD2-CD1 4.41Å; L205-I263 HydrophobicContact CD2-CG2 4.4Å; W240-I263 HydrophobicContact CH2-CD1 4.34Å; W240-I263 HydrophobicContact CZ2-CD1 4.1Å; I251-I263 HydrophobicContact CG2-CG2 4.3Å; V253-I263 HydrophobicContact CG2-CG1 4.34Å; V253-I263 HydrophobicContact CG2-CG2 4.46Å; I263-V265 HydrophobicContact CG2-CG2 4.34Å; I263-C273 CarbonylContact O-C 3.58Å; I263-C273 WeakPolarHBondContact O-CA 3.4Å; I263-L274 HydrophobicContact CB-CB 4.21Å; I263-L274 PolarHBondContact N-O 2.94Å; I263-L274 PolarHBondContact O-N 2.83Å
264	L	94.9	Very high	85.4	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.016	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.9	-179.6	-69.4	161.1	0	0	0	110	I251 S252 P254 F272 C273 F282 F293 P295 T304	I251-L264 WeakPolarHBondContact CA-O 3.31Å; I251-L264 WeakPolarHBondContact CG2-O 3.35Å; S252-L264 PolarHBondContact N-O 3.47Å; S252-L264 PolarHBondContact O-N 3.17Å; P254-L264 HydrophobicContact CG-CD1 4.21Å; L264-F272 CarbonylContact C-O 3.58Å; L264-F272 WeakPolarHBondContact CA-O 3.28Å; L264-C273 HydrophobicContact CD2-CB 3.56Å; L264-F282 HydrophobicContact CD2-CZ 4.25Å; L264-F293 HydrophobicContact CB-CE2 3.81Å; L264-F293 HydrophobicContact CB-CZ 4.25Å; L264-P295 HydrophobicContact CD1-CB 3.53Å; L264-P295 HydrophobicContact CD1-CG 3.94Å; L264-T304 HydrophobicContact CD1-CG2 4.01Å
265	V	96.8	Very high	85.7	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122.6	178.8	-177.1	0	0	0	0	108.1	V199 L205 L244 A248 I251 I263 F272 L274	V199-V265 HydrophobicContact CG2-CG1 4.37Å; L205-V265 HydrophobicContact CD1-CG2 4.26Å; L205-V265 HydrophobicContact CD2-CG2 4.01Å; L244-V265 HydrophobicContact CD1-CG1 4.01Å; L244-V265 HydrophobicContact CD2-CG1 4.46Å; A248-V265 HydrophobicContact CB-CG1 3.54Å; I251-V265 HydrophobicContact CG1-CG1 4.27Å; I251-V265 HydrophobicContact CG1-CG2 4.34Å; I251-V265 HydrophobicContact CG2-CG2 4.1Å; I263-V265 HydrophobicContact CG2-CG2 4.34Å; V265-F272 HydrophobicContact CB-CB 4.27Å; V265-F272 PolarHBondContact N-O 3.02Å; V265-F272 PolarHBondContact O-N 3.44Å; V265-L274 HydrophobicContact CG2-CD1 4.11Å
266	L	96.8	Very high	86.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	106.8	172.2	-175.3	71.4	0	0	0	109	A248 L249 D250 L271 L286 P290 F293 L308	A248-L266 CarbonylContact C-O 3.57Å; A248-L266 WeakPolarHBondContact CA-O 3.33Å; L249-L266 HydrophobicContact CB-CD2 4.35Å; L249-L266 HydrophobicContact CD1-CD2 4.19Å; L249-L266 PolarHBondContact N-O 3.02Å; D250-L266 PolarHBondContact O-N 2.95Å; L266-L271 HydrophobicContact CD1-CD1 4.25Å; L266-L286 HydrophobicContact CD1-CD1 4.22Å; L266-P290 HydrophobicContact CD1-CB 3.81Å; L266-P290 HydrophobicContact CD1-CG 3.89Å; L266-P290 HydrophobicContact CD2-CB 4.1Å; L266-P290 HydrophobicContact CD2-CG 4.37Å; L266-P290 HydrophobicContact CG-CB 4.25Å; L266-P290 HydrophobicContact CG-CG 4.13Å; L266-F293 HydrophobicContact CB-CD1 3.66Å; L266-F293 HydrophobicContact CB-CD2 3.98Å; L266-F293 HydrophobicContact CB-CE1 3.72Å; L266-F293 HydrophobicContact CB-CE2 4.04Å; L266-F293 HydrophobicContact CB-CG 3.83Å; L266-F293 HydrophobicContact CB-CZ 3.93Å; L266-F293 HydrophobicContact CD1-CB 4.35Å; L266-F293 HydrophobicContact CD1-CD2 4.43Å; L266-F293 HydrophobicContact CD1-CG 4.31Å; L266-F293 HydrophobicContact CD2-CB 3.86Å; L266-F293 HydrophobicContact CD2-CD1 3.75Å; L266-F293 HydrophobicContact CD2-CG 3.85Å; L266-F293 HydrophobicContact CG-CD1 4.27Å; L266-F293 HydrophobicContact CG-CG 4.22Å; L266-L308 HydrophobicContact CD1-CD1 4.01Å
267	G	96	Very high	87.2	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	173.9	168.6	0	0	0	0	0	112.6	Q247 R269 N270 P290	Q247-G267 WeakPolarHBondContact O-CA 3.06Å; G267-R269 PolarHBondContact O-N 3.36Å; G267-N270 VanDerWaalsContact CA-O 3.28Å; G267-N270 WeakPolarHBondContact CA-O 3.23Å; G267-N270 PolarHBondContact N-O 3.29Å; G267-P290 WeakPolarHBondContact O-CG 3.44Å
268	E	93.6	Very high	88.2	Confident	92 Å²	92	43.7 Å²	43.7	43%	0.43	22%	0.218	S	C	.	.	S	Bend	trans	-62.7	-27.3	172.7	-65.4	176.6	-176	0	0	112.9	Q247 L249 P290	Q247-E268 PolarHBondContact O-N 3.27Å; L249-E268 HydrophobicContact CD2-CG 4.49Å; E268-P290 WeakPolarHBondContact O-CD 3.2Å
269	R	95	Very high	89.7	Confident	162 Å²	162	39.9 Å²	39.9	61%	0.611	20%	0.201	S	C	*	.	S	Bend	trans	-135.9	-13.2	-177.7	-52.1	-178.1	-171.8	-153.3	-0.7	114.4	E246 G267 L286	E246-R269 VanDerWaalsContact OE2-CB 3.32Å; E246-R269 WeakPolarHBondContact OE2-CB 3.33Å; E246-R269 PolarHBondContact OE2-N 3.48Å; G267-R269 PolarHBondContact O-N 3.36Å; R269-L286 WeakPolarHBondContact O-CA 3.47Å; R269-L286 VanDerWaalsContact O-CB 3.3Å; R269-L286 WeakPolarHBondContact O-CB 3.5Å; R269-L286 PolarHBondContact O-N 2.99Å
270	N	95.7	Very high	91.2	Very high	29 Å²	29	37.9 Å²	37.9	16%	0.155	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	148.7	179.6	-49.2	-79.6	0	0	0	111.5	E246 G267 F272 K284 K285	E246-N270 VanDerWaalsContact CD-ND2 3.27Å; E246-N270 WeakPolarHBondContact OE1-CA 3.38Å; E246-N270 WeakPolarHBondContact OE1-CB 3.43Å; E246-N270 PolarHBondContact OE1-N 3.01Å; E246-N270 PolarHBondContact OE1-ND2 3.21Å; E246-N270 PolarHBondContact OE2-ND2 2.88Å; G267-N270 VanDerWaalsContact CA-O 3.28Å; G267-N270 WeakPolarHBondContact CA-O 3.23Å; G267-N270 PolarHBondContact N-O 3.29Å; N270-F272 HydrophobicContact CB-CD2 4.32Å; N270-F272 HydrophobicContact CB-CE2 3.62Å; N270-F272 HydrophobicContact CB-CZ 3.75Å; N270-K284 CarbonylContact C-O 3.52Å; N270-K284 WeakPolarHBondContact CA-O 3.42Å; N270-K285 WeakPolarHBondContact OD1-CA 3.2Å
271	L	96.1	Very high	92.2	Very high	2 Å²	2	40 Å²	40	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.5	167.7	174.4	73.3	0	0	0	108.5	L266 M283 K284 F293 L306	L266-L271 HydrophobicContact CD1-CD1 4.25Å; L271-M283 CarbonylContact O-C 3.57Å; L271-M283 VanDerWaalsContact O-CA 3.3Å; L271-M283 WeakPolarHBondContact O-CA 3.38Å; L271-K284 HydrophobicContact CB-CB 4.36Å; L271-K284 PolarHBondContact N-O 2.95Å; L271-K284 PolarHBondContact O-N 3.24Å; L271-F293 HydrophobicContact CD1-CD2 3.92Å; L271-F293 HydrophobicContact CD1-CE2 4Å; L271-L306 HydrophobicContact CD1-CD2 3.82Å; L271-L306 HydrophobicContact CD2-CD2 3.4Å; L271-L306 HydrophobicContact CG-CD2 4.26Å
272	F	95.8	Very high	92.9	Very high	7 Å²	7	40.3 Å²	40.3	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140	176.2	-57.8	-91.3	0	0	0	110.6	F242 L244 L264 V265 N270 L274 M283	F242-F272 HydrophobicContact CE1-CD1 4.48Å; L244-F272 HydrophobicContact CB-CE2 4.37Å; L244-F272 HydrophobicContact CB-CZ 4.49Å; L244-F272 HydrophobicContact CD2-CB 4.45Å; L244-F272 HydrophobicContact CD2-CD1 4.21Å; L244-F272 HydrophobicContact CD2-CD2 3.64Å; L244-F272 HydrophobicContact CD2-CE1 4.36Å; L244-F272 HydrophobicContact CD2-CE2 3.8Å; L244-F272 HydrophobicContact CD2-CG 3.85Å; L244-F272 HydrophobicContact CD2-CZ 4.16Å; L264-F272 CarbonylContact C-O 3.58Å; L264-F272 WeakPolarHBondContact CA-O 3.28Å; V265-F272 HydrophobicContact CB-CB 4.27Å; V265-F272 PolarHBondContact N-O 3.02Å; V265-F272 PolarHBondContact O-N 3.44Å; N270-F272 HydrophobicContact CB-CD2 4.32Å; N270-F272 HydrophobicContact CB-CE2 3.62Å; N270-F272 HydrophobicContact CB-CZ 3.75Å; F272-L274 HydrophobicContact CB-CD1 4.44Å; F272-M283 HydrophobicContact CD1-CB 4.04Å; F272-M283 HydrophobicContact CE1-CB 4.41Å; F272-M283 HydrophobicContact CE1-CE 3.96Å
273	C	94.2	Very high	93.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	117.2	166	-176.6	0	0	0	0	108.1	I263 L264 R281 F282	I263-C273 CarbonylContact O-C 3.58Å; I263-C273 WeakPolarHBondContact O-CA 3.4Å; L264-C273 HydrophobicContact CD2-CB 3.56Å; C273-R281 HydrophobicContact CB-CB 4.41Å; C273-R281 WeakPolarHBondContact O-CA 3.38Å; C273-R281 WeakPolarHBondContact O-CB 3.14Å; C273-R281 PolarHBondContact O-N 3.25Å; C273-F282 HydrophobicContact CB-CD1 3.75Å; C273-F282 HydrophobicContact CB-CD2 3.64Å; C273-F282 HydrophobicContact CB-CE1 3.49Å; C273-F282 VanDerWaalsContact CB-CE1 3.49Å; C273-F282 HydrophobicContact CB-CE2 3.38Å; C273-F282 HydrophobicContact CB-CG 3.82Å; C273-F282 HydrophobicContact CB-CZ 3.3Å; C273-F282 PolarHBondContact N-O 3.33Å; C273-F282 PolarHBondContact O-N 2.79Å; C273-F282 VanDerWaalsContact SG-CE1 3.56Å
274	L	93.5	Very high	93.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	155.6	-176.5	-65.3	144.7	0	0	0	109.9	L205 F242 S262 I263 V265 F272 G278 Q279 I280	L205-L274 HydrophobicContact CD2-CD1 3.32Å; F242-L274 HydrophobicContact CD1-CD1 4.47Å; F242-L274 HydrophobicContact CD1-CD2 4.01Å; F242-L274 HydrophobicContact CD2-CD2 4.2Å; F242-L274 HydrophobicContact CE1-CD2 4.28Å; F242-L274 HydrophobicContact CE2-CD2 4.47Å; F242-L274 HydrophobicContact CG-CD2 3.99Å; S262-L274 CarbonylContact C-O 3.54Å; S262-L274 WeakPolarHBondContact CA-O 3.42Å; I263-L274 HydrophobicContact CB-CB 4.21Å; I263-L274 PolarHBondContact N-O 2.94Å; I263-L274 PolarHBondContact O-N 2.83Å; V265-L274 HydrophobicContact CG2-CD1 4.11Å; F272-L274 HydrophobicContact CB-CD1 4.44Å; L274-G278 WeakPolarHBondContact CD2-O 3.36Å; L274-Q279 CarbonylContact C-O 3.5Å; L274-Q279 WeakPolarHBondContact CA-O 3.46Å; L274-I280 HydrophobicContact CD2-CB 4.41Å; L274-I280 HydrophobicContact CD2-CG1 3.81Å
275	R	91.2	Very high	93.3	Very high	127 Å²	127	54.5 Å²	54.5	48%	0.479	25%	0.246	S	C	.	.			trans	-89	166.4	168.8	-63.7	-176.9	-179.9	-172.7	0	109.7	N277 G278 Q279 R281	R275-N277 WeakPolarHBondContact CB-OD1 3.31Å; R275-N277 PolarHBondContact O-N 3.42Å; R275-G278 PolarHBondContact O-N 3.36Å; R275-Q279 PolarHBondContact N-O 3.19Å; R275-R281 HydrophobicContact CG-CB 4.3Å
276	D	88.4	Confident	93.2	Very high	34 Å²	34	55 Å²	55	18%	0.182	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-21.9	178	-74.7	-14.3	0	0	0	114.3	N190 R192 T193 W240 S261 G278	N190-D276 PolarHBondContact ND2-OD1 3.42Å; R192-D276 VanDerWaalsContact CD-OD2 3.29Å; R192-D276 WeakPolarHBondContact CD-OD2 3.32Å; R192-D276 IonicContact CZ-OD2 2.83Å; R192-D276 IonicContact NE-OD2 2.77Å; R192-D276 IonicContact NH1-OD1 2.85Å; R192-D276 PolarHBondContact NH1-OD1 3.43Å; R192-D276 IonicContact NH1-OD2 3.2Å; R192-D276 PolarHBondContact NH1-OD2 3.17Å; T193-D276 HydrophobicContact CG2-CB 3.59Å; T193-D276 VanDerWaalsContact CG2-CG 3.47Å; W240-D276 PolarHBondContact NE1-O 3.35Å; S261-D276 VanDerWaalsContact CB-CG 3.44Å; S261-D276 WeakPolarHBondContact CB-OD2 3.36Å; S261-D276 PolarHBondContact OG-N 3.44Å; S261-D276 PolarHBondContact OG-OD1 2.94Å; S261-D276 PolarHBondContact OG-OD2 3.24Å; S261-D276 VanDerWaalsContact OG-OD2 3.11Å; D276-G278 VanDerWaalsContact C-N 3.35Å
277	N	86.9	Confident	93	Very high	87 Å²	87	63.9 Å²	63.9	47%	0.465	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	9.3	176.7	69.2	-7.4	0	0	0	113.9	R275 Q279	R275-N277 WeakPolarHBondContact CB-OD1 3.31Å; R275-N277 PolarHBondContact O-N 3.42Å; N277-Q279 VanDerWaalsContact C-N 3.3Å; N277-Q279 PolarHBondContact ND2-OE1 3.43Å; N277-Q279 PolarHBondContact O-N 2.93Å; N277-Q279 VanDerWaalsContact OD1-CB 3.3Å; N277-Q279 WeakPolarHBondContact OD1-CB 3.35Å; N277-Q279 WeakPolarHBondContact OD1-CG 3.38Å; N277-Q279 PolarHBondContact OD1-N 3.44Å; N277-Q279 VanDerWaalsContact OD1-N 3.1Å
278	G	86.7	Confident	92.9	Very high	10 Å²	10	65.8 Å²	65.8	10%	0.103	30%	0.298	C	S	.	.	S	Bend	trans	77.5	5.3	-178.8	0	0	0	0	0	115.3	L274 R275 D276	L274-G278 WeakPolarHBondContact CD2-O 3.36Å; R275-G278 PolarHBondContact O-N 3.36Å; D276-G278 VanDerWaalsContact C-N 3.35Å
279	Q	91	Very high	92.9	Very high	112 Å²	112	66.4 Å²	66.4	52%	0.523	30%	0.304	S	S	.	.			trans	-82.2	139.8	175.4	-66.7	178.6	-21	0	0	111.6	L274 R275 N277 R281	L274-Q279 CarbonylContact C-O 3.5Å; L274-Q279 WeakPolarHBondContact CA-O 3.46Å; R275-Q279 PolarHBondContact N-O 3.19Å; N277-Q279 VanDerWaalsContact C-N 3.3Å; N277-Q279 PolarHBondContact ND2-OE1 3.43Å; N277-Q279 PolarHBondContact O-N 2.93Å; N277-Q279 VanDerWaalsContact OD1-CB 3.3Å; N277-Q279 WeakPolarHBondContact OD1-CB 3.35Å; N277-Q279 WeakPolarHBondContact OD1-CG 3.38Å; N277-Q279 PolarHBondContact OD1-N 3.44Å; N277-Q279 VanDerWaalsContact OD1-N 3.1Å; Q279-R281 PolarHBondContact O-N 3.27Å
280	I	92.8	Very high	93	Very high	70 Å²	70	58.8 Å²	58.8	36%	0.359	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	123.7	176	-54.4	172.7	0	0	0	109.4	F242 L274 F282 M283	F242-I280 HydrophobicContact CE1-CD1 4.27Å; F242-I280 HydrophobicContact CE1-CG1 4.28Å; F242-I280 HydrophobicContact CE2-CD1 3.72Å; F242-I280 HydrophobicContact CE2-CG1 3.64Å; F242-I280 HydrophobicContact CZ-CD1 3.3Å; F242-I280 HydrophobicContact CZ-CG1 3.51Å; L274-I280 HydrophobicContact CD2-CB 4.41Å; L274-I280 HydrophobicContact CD2-CG1 3.81Å; I280-F282 VanDerWaalsContact CG2-C 3.49Å; I280-F282 WeakPolarHBondContact CG2-O 3.31Å; I280-M283 HydrophobicContact CG2-CB 4.33Å
281	R	91	Very high	93	Very high	78 Å²	78	58.2 Å²	58.2	29%	0.294	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-49.8	167	-173	-178.3	-179.1	-177.2	-2.2	110.5	S262 C273 R275 Q279 G302	S262-R281 PolarHBondContact OG-NH1 3.23Å; C273-R281 HydrophobicContact CB-CB 4.41Å; C273-R281 WeakPolarHBondContact O-CA 3.38Å; C273-R281 WeakPolarHBondContact O-CB 3.14Å; C273-R281 PolarHBondContact O-N 3.25Å; R275-R281 HydrophobicContact CG-CB 4.3Å; Q279-R281 PolarHBondContact O-N 3.27Å; R281-G302 PolarHBondContact NH2-O 2.62Å
282	F	92.5	Very high	92.9	Very high	30 Å²	30	58.3 Å²	58.3	13%	0.132	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	162.1	170.6	60.9	-104.2	0	0	0	110.5	L264 C273 I280 D320 V321	L264-F282 HydrophobicContact CD2-CZ 4.25Å; C273-F282 HydrophobicContact CB-CD1 3.75Å; C273-F282 HydrophobicContact CB-CD2 3.64Å; C273-F282 HydrophobicContact CB-CE1 3.49Å; C273-F282 VanDerWaalsContact CB-CE1 3.49Å; C273-F282 HydrophobicContact CB-CE2 3.38Å; C273-F282 HydrophobicContact CB-CG 3.82Å; C273-F282 HydrophobicContact CB-CZ 3.3Å; C273-F282 PolarHBondContact N-O 3.33Å; C273-F282 PolarHBondContact O-N 2.79Å; C273-F282 VanDerWaalsContact SG-CE1 3.56Å; I280-F282 VanDerWaalsContact CG2-C 3.49Å; I280-F282 WeakPolarHBondContact CG2-O 3.31Å; F282-D320 HydrophobicContact CD1-CB 4.23Å; F282-D320 HydrophobicContact CE1-CB 3.71Å; F282-D320 HydrophobicContact CZ-CB 3.88Å; F282-V321 HydrophobicContact CB-CG2 3.83Å; F282-V321 HydrophobicContact CD2-CG2 3.44Å; F282-V321 VanDerWaalsContact CD2-CG2 3.44Å; F282-V321 HydrophobicContact CE2-CG2 4.08Å; F282-V321 HydrophobicContact CG-CG2 3.71Å
283	M	94.4	Very high	92.9	Very high	98 Å²	98	58.1 Å²	58.1	48%	0.483	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	146.3	171	64.2	178	-63.6	0	0	110.3	L271 F272 I280	L271-M283 CarbonylContact O-C 3.57Å; L271-M283 VanDerWaalsContact O-CA 3.3Å; L271-M283 WeakPolarHBondContact O-CA 3.38Å; F272-M283 HydrophobicContact CD1-CB 4.04Å; F272-M283 HydrophobicContact CE1-CB 4.41Å; F272-M283 HydrophobicContact CE1-CE 3.96Å; I280-M283 HydrophobicContact CG2-CB 4.33Å
284	K	94.9	Very high	93	Very high	58 Å²	58	59.5 Å²	59.5	25%	0.252	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	121.6	174.4	177.4	79.8	-178.2	82.1	0	108.7	N270 L271 L286 V321	N270-K284 CarbonylContact C-O 3.52Å; N270-K284 WeakPolarHBondContact CA-O 3.42Å; L271-K284 HydrophobicContact CB-CB 4.36Å; L271-K284 PolarHBondContact N-O 2.95Å; L271-K284 PolarHBondContact O-N 3.24Å; K284-L286 HydrophobicContact CG-CD2 4.01Å; K284-V321 HydrophobicContact CB-CG1 4.22Å; K284-V321 HydrophobicContact CD-CG1 3.55Å; K284-V321 HydrophobicContact CG-CG1 4.41Å
285	K	96.3	Very high	92.9	Very high	148 Å²	148	59.9 Å²	59.9	64%	0.643	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	126.3	164.8	-177.4	175.2	179.5	178.2	0	109.7	N270	N270-K285 WeakPolarHBondContact OD1-CA 3.2Å
286	L	94.6	Very high	92.8	Very high	9 Å²	9	56.6 Å²	56.6	5%	0.047	27%	0.272	C	S	.	.			trans	-92.2	135	177.2	-52	173.5	0	0	0	108.3	L266 R269 K284 F288 P290 L308	L266-L286 HydrophobicContact CD1-CD1 4.22Å; R269-L286 WeakPolarHBondContact O-CA 3.47Å; R269-L286 VanDerWaalsContact O-CB 3.3Å; R269-L286 WeakPolarHBondContact O-CB 3.5Å; R269-L286 PolarHBondContact O-N 2.99Å; K284-L286 HydrophobicContact CG-CD2 4.01Å; L286-F288 VanDerWaalsContact C-N 3.25Å; L286-F288 HydrophobicContact CB-CD2 4.35Å; L286-F288 HydrophobicContact CB-CE2 4.03Å; L286-F288 HydrophobicContact CB-CZ 4.23Å; L286-F288 HydrophobicContact CD1-CE2 4.18Å; L286-F288 HydrophobicContact CD2-CE2 4.08Å; L286-F288 HydrophobicContact CD2-CZ 3.81Å; L286-F288 HydrophobicContact CG-CE2 4.32Å; L286-F288 HydrophobicContact CG-CZ 4.46Å; L286-P290 HydrophobicContact CD1-CB 3.95Å; L286-P290 HydrophobicContact CD1-CG 3.72Å; L286-L308 HydrophobicContact CD1-CD1 3.99Å; L286-L308 HydrophobicContact CD2-CD1 4.19Å
287	E	93.2	Very high	92.4	Very high	187 Å²	187	60.4 Å²	60.4	87%	0.874	29%	0.291	S	S	*	.	S	Bend	trans	-92.4	8.7	176.5	-64.2	-176.5	171.5	0	0	112
288	F	93.1	Very high	92	Very high	42 Å²	42	57.4 Å²	57.4	18%	0.184	28%	0.277	C	S	.	.	S	Bend	trans	-137.7	163	179	52.2	-102.3	0	0	0	108.6	L286 P290 L308 N310 L316	L286-F288 VanDerWaalsContact C-N 3.25Å; L286-F288 HydrophobicContact CB-CD2 4.35Å; L286-F288 HydrophobicContact CB-CE2 4.03Å; L286-F288 HydrophobicContact CB-CZ 4.23Å; L286-F288 HydrophobicContact CD1-CE2 4.18Å; L286-F288 HydrophobicContact CD2-CE2 4.08Å; L286-F288 HydrophobicContact CD2-CZ 3.81Å; L286-F288 HydrophobicContact CG-CE2 4.32Å; L286-F288 HydrophobicContact CG-CZ 4.46Å; F288-P290 WeakPolarHBondContact O-CD 3.45Å; F288-L308 HydrophobicContact CD2-CD2 4.37Å; F288-L308 HydrophobicContact CE2-CD1 4.45Å; F288-L308 HydrophobicContact CE2-CD2 3.38Å; F288-L308 HydrophobicContact CZ-CD2 3.93Å; F288-N310 HydrophobicContact CD2-CB 3.76Å; F288-N310 HydrophobicContact CE2-CB 4.3Å; F288-N310 HydrophobicContact CG-CB 4.38Å; F288-L316 HydrophobicContact CD1-CD1 4.29Å; F288-L316 HydrophobicContact CE1-CD1 3.41Å; F288-L316 VanDerWaalsContact CE1-CD1 3.41Å; F288-L316 HydrophobicContact CE2-CD1 3.85Å; F288-L316 HydrophobicContact CZ-CD1 3.14Å
289	N	94.2	Very high	91.3	Very high	104 Å²	104	63.8 Å²	63.8	56%	0.556	31%	0.313	S	S	*	.			trans	-84.1	115.4	175	-61.7	-18.7	0	0	0	109	N310 H311	N289-N310 WeakPolarHBondContact O-CA 3.45Å; N289-N310 WeakPolarHBondContact O-CB 3.4Å; N289-H311 PolarHBondContact O-CD2 2.93Å; N289-H311 PolarHBondContact O-N 2.93Å
290	P	95.9	Very high	90.5	Very high	3 Å²	3	64.6 Å²	64.6	2%	0.019	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	149.2	173.4	35	-35	0	0	0	109.8	L249 L266 G267 E268 L286 F288 L308 G309	L249-P290 HydrophobicContact CD1-CG 4.14Å; L249-P290 WeakPolarHBondContact CD1-O 3.17Å; L266-P290 HydrophobicContact CD1-CB 3.81Å; L266-P290 HydrophobicContact CD1-CG 3.89Å; L266-P290 HydrophobicContact CD2-CB 4.1Å; L266-P290 HydrophobicContact CD2-CG 4.37Å; L266-P290 HydrophobicContact CG-CB 4.25Å; L266-P290 HydrophobicContact CG-CG 4.13Å; G267-P290 WeakPolarHBondContact O-CG 3.44Å; E268-P290 WeakPolarHBondContact O-CD 3.2Å; L286-P290 HydrophobicContact CD1-CB 3.95Å; L286-P290 HydrophobicContact CD1-CG 3.72Å; F288-P290 WeakPolarHBondContact O-CD 3.45Å; P290-L308 HydrophobicContact CB-CD1 4.39Å; P290-L308 HydrophobicContact CB-CD2 4.06Å; P290-L308 HydrophobicContact CB-CG 4.34Å; P290-G309 WeakPolarHBondContact CA-O 3.49Å
291	S	95.7	Very high	89.4	Confident	16 Å²	16	69.5 Å²	69.5	11%	0.112	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-46.7	175	59.3	0	0	0	0	111.4	G309 P333	S291-G309 PolarHBondContact N-O 3.3Å; S291-G309 VanDerWaalsContact OG-C 3.26Å; S291-G309 PolarHBondContact OG-O 3.43Å; S291-P333 WeakPolarHBondContact CB-O 3.35Å; S291-P333 PolarHBondContact OG-O 3.05Å
292	C	95.3	Very high	88.6	Confident	5 Å²	5	67.6 Å²	67.6	3%	0.034	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	165.4	177.9	60.1	0	0	0	0	110.9	G309 P333 V334 V336	C292-G309 PolarHBondContact O-N 2.96Å; C292-P333 PolarHBondContact SG-O 3.06Å; C292-V334 VanDerWaalsContact CB-O 3.22Å; C292-V334 WeakPolarHBondContact CB-O 3.29Å; C292-V336 VanDerWaalsContact SG-CG2 3.56Å
293	F	96.1	Very high	88.1	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.009	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	159.4	175	82.9	-38.8	0	0	0	112.3	D250 L264 L266 L271 L306 L307	D250-F293 HydrophobicContact CB-CD1 4Å; D250-F293 HydrophobicContact CB-CE1 3.62Å; L264-F293 HydrophobicContact CB-CE2 3.81Å; L264-F293 HydrophobicContact CB-CZ 4.25Å; L266-F293 HydrophobicContact CB-CD1 3.66Å; L266-F293 HydrophobicContact CB-CD2 3.98Å; L266-F293 HydrophobicContact CB-CE1 3.72Å; L266-F293 HydrophobicContact CB-CE2 4.04Å; L266-F293 HydrophobicContact CB-CG 3.83Å; L266-F293 HydrophobicContact CB-CZ 3.93Å; L266-F293 HydrophobicContact CD1-CB 4.35Å; L266-F293 HydrophobicContact CD1-CD2 4.43Å; L266-F293 HydrophobicContact CD1-CG 4.31Å; L266-F293 HydrophobicContact CD2-CB 3.86Å; L266-F293 HydrophobicContact CD2-CD1 3.75Å; L266-F293 HydrophobicContact CD2-CG 3.85Å; L266-F293 HydrophobicContact CG-CD1 4.27Å; L266-F293 HydrophobicContact CG-CG 4.22Å; L271-F293 HydrophobicContact CD1-CD2 3.92Å; L271-F293 HydrophobicContact CD1-CE2 4Å; F293-L306 HydrophobicContact CB-CD1 4.05Å; F293-L306 HydrophobicContact CD2-CD1 3.3Å; F293-L306 HydrophobicContact CD2-CD2 4.06Å; F293-L306 HydrophobicContact CD2-CG 4.23Å; F293-L306 HydrophobicContact CE2-CD1 4.02Å; F293-L306 HydrophobicContact CG-CD1 4.04Å; F293-L307 CarbonylContact C-O 3.55Å; F293-L307 WeakPolarHBondContact CA-O 3.29Å; F293-L307 WeakPolarHBondContact CB-O 3.31Å
294	L	94.6	Very high	87.7	Confident	29 Å²	29	63.8 Å²	63.8	15%	0.152	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	117.5	175.4	-177.3	78.6	0	0	0	110.3	L307 V338	L294-L307 PolarHBondContact N-O 3.42Å; L294-L307 PolarHBondContact O-N 3.05Å; L294-V338 HydrophobicContact CD2-CB 4.38Å; L294-V338 HydrophobicContact CD2-CG2 3.88Å
295	P	92.5	Very high	87.5	Confident	8 Å²	8	61.9 Å²	61.9	5%	0.052	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	136.3	166.7	28.5	-30.5	0	0	0	110.4	S252 P254 F256 L264 T304 N305 L306	S252-P295 WeakPolarHBondContact OG-CD 3.37Å; S252-P295 WeakPolarHBondContact OG-CG 3.18Å; P254-P295 HydrophobicContact CB-CB 4.22Å; P254-P295 HydrophobicContact CB-CG 4.25Å; P254-P295 HydrophobicContact CG-CB 4.15Å; P254-P295 HydrophobicContact CG-CG 4.25Å; F256-P295 HydrophobicContact CE2-CB 4.37Å; F256-P295 WeakPolarHBondContact CZ-O 3.39Å; L264-P295 HydrophobicContact CD1-CB 3.53Å; L264-P295 HydrophobicContact CD1-CG 3.94Å; P295-T304 HydrophobicContact CB-CG2 4.06Å; P295-N305 WeakPolarHBondContact CA-O 3.35Å; P295-L306 HydrophobicContact CB-CD1 4.28Å
296	Y	88.4	Confident	87.3	Confident	58 Å²	58	55 Å²	55	23%	0.227	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	166.7	176.4	71.8	-82.1	0	0	0	110.7	F256 S298 N305 L307 V317	F256-Y296 WeakPolarHBondContact CE2-O 3.09Å; F256-Y296 VanDerWaalsContact CZ-C 3.45Å; F256-Y296 VanDerWaalsContact CZ-CA 3.44Å; Y296-S298 PolarHBondContact O-N 2.76Å; Y296-N305 HydrophobicContact CD1-CB 3.92Å; Y296-N305 HydrophobicContact CD2-CB 4.15Å; Y296-N305 HydrophobicContact CE1-CB 3.46Å; Y296-N305 VanDerWaalsContact CE1-CB 3.46Å; Y296-N305 HydrophobicContact CE2-CB 3.74Å; Y296-N305 HydrophobicContact CG-CB 4.25Å; Y296-N305 PolarHBondContact N-O 2.84Å; Y296-L307 HydrophobicContact CD1-CD1 4.42Å; Y296-L307 HydrophobicContact CD1-CD2 4.4Å; Y296-L307 HydrophobicContact CD1-CG 3.78Å; Y296-L307 HydrophobicContact CE1-CD2 3.79Å; Y296-L307 HydrophobicContact CE1-CG 3.67Å; Y296-V317 HydrophobicContact CE1-CG1 4.37Å; Y296-V317 WeakPolarHBondContact OH-CG1 3.33Å
297	I	81	Confident	87.3	Confident	115 Å²	115	54.8 Å²	54.8	59%	0.59	29%	0.293	S	S	*	.			trans	-58.4	130.7	-173.1	-165	163.8	0	0	0	111.2	F256	F256-I297 HydrophobicContact CB-CG1 4.38Å; F256-I297 HydrophobicContact CD1-CB 4.12Å; F256-I297 HydrophobicContact CD1-CG1 4.45Å; F256-I297 HydrophobicContact CE1-CB 4.44Å; F256-I297 HydrophobicContact CG-CB 4.33Å; F256-I297 HydrophobicContact CG-CG1 4.38Å
298	S	77.6	Confident	87.4	Confident	24 Å²	24	45.9 Å²	45.9	17%	0.168	25%	0.252	C	S	.	.			trans	-88.5	149.2	174.8	-164.4	0	0	0	0	111.3	Y296 K300 T303 N305	Y296-S298 PolarHBondContact O-N 2.76Å; S298-K300 VanDerWaalsContact C-N 3.35Å; S298-K300 PolarHBondContact OG-N 3.22Å; S298-T303 WeakPolarHBondContact CB-O 3.23Å; S298-T303 PolarHBondContact OG-OG1 2.89Å; S298-N305 PolarHBondContact OG-OD1 3.4Å
299	V	72.5	Confident	87.5	Confident	144 Å²	144	43.9 Å²	43.9	87%	0.873	24%	0.243	S	C	*	.	S	Bend	trans	-82.9	-16.8	175.4	-168.8	0	0	0	0	111.2
300	K	74.6	Confident	87.5	Confident	129 Å²	129	39 Å²	39	56%	0.561	22%	0.217	S	C	*	.	S	Bend	trans	-106.9	129.7	177.4	-64.5	-168.1	-176.2	-178	0	111.1	S298 G302 T303	S298-K300 VanDerWaalsContact C-N 3.35Å; S298-K300 PolarHBondContact OG-N 3.22Å; K300-G302 PolarHBondContact O-N 2.67Å; K300-T303 PolarHBondContact O-N 2.85Å; K300-T303 PolarHBondContact O-OG1 2.95Å
301	D	69	Low	87.5	Confident	173 Å²	173	43.8 Å²	43.8	93%	0.925	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	130.6	177.2	-73.1	-28.2	0	0	0	111.8	T303	D301-T303 VanDerWaalsContact C-N 3.31Å; D301-T303 PolarHBondContact O-N 2.97Å
302	G	74.1	Confident	87.3	Confident	38 Å²	38	48.9 Å²	48.9	39%	0.392	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	-5.3	176.7	0	0	0	0	0	115.8	R281 K300	R281-G302 PolarHBondContact NH2-O 2.62Å; K300-G302 PolarHBondContact O-N 2.67Å
303	T	83.1	Confident	87.2	Confident	36 Å²	36	51.1 Å²	51.1	22%	0.221	28%	0.276	C	S	.	.			trans	-101.5	157.4	173.9	64.5	0	0	0	0	111.6	S298 K300 D301 Q319	S298-T303 WeakPolarHBondContact CB-O 3.23Å; S298-T303 PolarHBondContact OG-OG1 2.89Å; K300-T303 PolarHBondContact O-N 2.85Å; K300-T303 PolarHBondContact O-OG1 2.95Å; D301-T303 VanDerWaalsContact C-N 3.31Å; D301-T303 PolarHBondContact O-N 2.97Å; T303-Q319 PolarHBondContact OG1-NE2 3.44Å
304	T	84.1	Confident	87.1	Confident	11 Å²	11	54.3 Å²	54.3	7%	0.067	29%	0.292	C	S	.	.			trans	-118.1	128.9	174.4	-54.7	0	0	0	0	109.5	P254 L264 P295 D320	P254-T304 HydrophobicContact CG-CG2 4.4Å; L264-T304 HydrophobicContact CD1-CG2 4.01Å; P295-T304 HydrophobicContact CB-CG2 4.06Å; T304-D320 PolarHBondContact N-OD1 2.96Å; T304-D320 PolarHBondContact O-N 3.16Å
305	N	90.6	Very high	87.1	Confident	18 Å²	18	53 Å²	53	10%	0.096	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	145.2	172.7	-68.2	-7.1	0	0	0	109.5	P295 Y296 S298 Y318	P295-N305 WeakPolarHBondContact CA-O 3.35Å; Y296-N305 HydrophobicContact CD1-CB 3.92Å; Y296-N305 HydrophobicContact CD2-CB 4.15Å; Y296-N305 HydrophobicContact CE1-CB 3.46Å; Y296-N305 VanDerWaalsContact CE1-CB 3.46Å; Y296-N305 HydrophobicContact CE2-CB 3.74Å; Y296-N305 HydrophobicContact CG-CB 4.25Å; Y296-N305 PolarHBondContact N-O 2.84Å; S298-N305 PolarHBondContact OG-OD1 3.4Å; N305-Y318 CarbonylContact C-O 3.39Å; N305-Y318 VanDerWaalsContact CA-O 3.28Å; N305-Y318 WeakPolarHBondContact CA-O 3.47Å
306	L	92.6	Very high	87.3	Confident	5 Å²	5	52.9 Å²	52.9	3%	0.026	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	129.5	-177.1	-179.1	75.8	0	0	0	110.1	L271 F293 P295 L308 V317 Y318	L271-L306 HydrophobicContact CD1-CD2 3.82Å; L271-L306 HydrophobicContact CD2-CD2 3.4Å; L271-L306 HydrophobicContact CG-CD2 4.26Å; F293-L306 HydrophobicContact CB-CD1 4.05Å; F293-L306 HydrophobicContact CD2-CD1 3.3Å; F293-L306 HydrophobicContact CD2-CD2 4.06Å; F293-L306 HydrophobicContact CD2-CG 4.23Å; F293-L306 HydrophobicContact CE2-CD1 4.02Å; F293-L306 HydrophobicContact CG-CD1 4.04Å; P295-L306 HydrophobicContact CB-CD1 4.28Å; L306-L308 HydrophobicContact CD2-CB 4.46Å; L306-L308 HydrophobicContact CD2-CD1 4.42Å; L306-V317 CarbonylContact O-C 3.59Å; L306-V317 WeakPolarHBondContact O-CA 3.46Å; L306-Y318 PolarHBondContact N-O 3.19Å; L306-Y318 PolarHBondContact O-N 2.91Å
307	L	94.9	Very high	87.6	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	131.7	161.6	-63.6	179.5	0	0	0	108.6	F293 L294 Y296 L315 L316 V317 V336 V338 V348	F293-L307 CarbonylContact C-O 3.55Å; F293-L307 WeakPolarHBondContact CA-O 3.29Å; F293-L307 WeakPolarHBondContact CB-O 3.31Å; L294-L307 PolarHBondContact N-O 3.42Å; L294-L307 PolarHBondContact O-N 3.05Å; Y296-L307 HydrophobicContact CD1-CD1 4.42Å; Y296-L307 HydrophobicContact CD1-CD2 4.4Å; Y296-L307 HydrophobicContact CD1-CG 3.78Å; Y296-L307 HydrophobicContact CE1-CD2 3.79Å; Y296-L307 HydrophobicContact CE1-CG 3.67Å; L307-L315 HydrophobicContact CB-CD1 4.32Å; L307-L316 CarbonylContact C-O 3.58Å; L307-V317 HydrophobicContact CD2-CB 4.46Å; L307-V317 HydrophobicContact CD2-CG1 4.4Å; L307-V317 HydrophobicContact CD2-CG2 3.74Å; L307-V336 HydrophobicContact CB-CG1 4.33Å; L307-V336 HydrophobicContact CD1-CG1 3.89Å; L307-V338 HydrophobicContact CD1-CG2 3.52Å; L307-V348 HydrophobicContact CD1-CG1 4.17Å; L307-V348 HydrophobicContact CD1-CG2 3.99Å
308	L	95.8	Very high	88.2	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	122.2	177.4	-173	155.8	0	0	0	109.2	L266 L286 F288 P290 L306 L316 Y318	L266-L308 HydrophobicContact CD1-CD1 4.01Å; L286-L308 HydrophobicContact CD1-CD1 3.99Å; L286-L308 HydrophobicContact CD2-CD1 4.19Å; F288-L308 HydrophobicContact CD2-CD2 4.37Å; F288-L308 HydrophobicContact CE2-CD1 4.45Å; F288-L308 HydrophobicContact CE2-CD2 3.38Å; F288-L308 HydrophobicContact CZ-CD2 3.93Å; P290-L308 HydrophobicContact CB-CD1 4.39Å; P290-L308 HydrophobicContact CB-CD2 4.06Å; P290-L308 HydrophobicContact CB-CG 4.34Å; L306-L308 HydrophobicContact CD2-CB 4.46Å; L306-L308 HydrophobicContact CD2-CD1 4.42Å; L308-L316 HydrophobicContact CB-CB 4.39Å; L308-L316 HydrophobicContact CD2-CD1 4.13Å; L308-L316 PolarHBondContact N-O 3.04Å; L308-L316 PolarHBondContact O-N 2.85Å; L308-Y318 HydrophobicContact CB-CD2 4.42Å
309	G	95.5	Very high	88.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	147.7	169.8	0	0	0	0	0	111.2	P290 S291 C292	P290-G309 WeakPolarHBondContact CA-O 3.49Å; S291-G309 PolarHBondContact N-O 3.3Å; S291-G309 VanDerWaalsContact OG-C 3.26Å; S291-G309 PolarHBondContact OG-O 3.43Å; C292-G309 PolarHBondContact O-N 2.96Å
310	N	94.1	Very high	89.7	Confident	2 Å²	2	41 Å²	41	1%	0.011	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	166.2	173	72.8	16	0	0	0	112.2	F288 N289 N312 N313 M314	F288-N310 HydrophobicContact CD2-CB 3.76Å; F288-N310 HydrophobicContact CE2-CB 4.3Å; F288-N310 HydrophobicContact CG-CB 4.38Å; N289-N310 WeakPolarHBondContact O-CA 3.45Å; N289-N310 WeakPolarHBondContact O-CB 3.4Å; N310-N312 PolarHBondContact O-N 2.96Å; N310-N312 WeakPolarHBondContact OD1-CA 3.26Å; N310-N312 PolarHBondContact OD1-N 2.8Å; N310-N313 PolarHBondContact O-N 3.11Å; N310-N313 PolarHBondContact OD1-N 2.98Å; N310-M314 PolarHBondContact N-O 3.32Å; N310-M314 WeakPolarHBondContact OD1-CA 3.4Å; N310-M314 WeakPolarHBondContact OD1-CB 3.43Å; N310-M314 PolarHBondContact OD1-N 3.5Å; N310-M314 PolarHBondContact OD1-O 2.72Å
311	H	94.6	Very high	90.5	Very high	103 Å²	103	37.4 Å²	37.4	48%	0.477	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-0.6	176.8	-69.9	-79.5	0	0	0	114.6	N289 N313	N289-H311 PolarHBondContact O-CD2 2.93Å; N289-H311 PolarHBondContact O-N 2.93Å; H311-N313 VanDerWaalsContact C-N 3.34Å
312	N	93.3	Very high	91.6	Very high	122 Å²	122	33 Å²	33	65%	0.652	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.3	22	175.8	-66.2	-3.9	0	0	0	111.8	N310 M314	N310-N312 PolarHBondContact O-N 2.96Å; N310-N312 WeakPolarHBondContact OD1-CA 3.26Å; N310-N312 PolarHBondContact OD1-N 2.8Å; N312-M314 VanDerWaalsContact C-N 3.32Å; N312-M314 PolarHBondContact O-N 2.94Å
313	N	92.8	Very high	92.6	Very high	52 Å²	52	35.1 Å²	35.1	28%	0.278	19%	0.188	S	C	.	.	S	Bend	trans	54.5	43.6	-177.4	-51.3	4.6	0	0	0	112.5	N310 H311 Q328 L329 V332	N310-N313 PolarHBondContact O-N 3.11Å; N310-N313 PolarHBondContact OD1-N 2.98Å; H311-N313 VanDerWaalsContact C-N 3.34Å; N313-Q328 CarbonylContact O-C 3.54Å; N313-L329 WeakPolarHBondContact CB-O 3.37Å; N313-L329 PolarHBondContact O-N 3.24Å; N313-V332 WeakPolarHBondContact OD1-CG2 3.4Å
314	M	94.1	Very high	93.1	Very high	70 Å²	70	38.7 Å²	38.7	35%	0.345	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	142.3	172.5	-59.7	-142.8	-61.1	0	0	111.9	N310 N312 L316 A327	N310-M314 PolarHBondContact N-O 3.32Å; N310-M314 WeakPolarHBondContact OD1-CA 3.4Å; N310-M314 WeakPolarHBondContact OD1-CB 3.43Å; N310-M314 PolarHBondContact OD1-N 3.5Å; N310-M314 PolarHBondContact OD1-O 2.72Å; N312-M314 VanDerWaalsContact C-N 3.32Å; N312-M314 PolarHBondContact O-N 2.94Å; M314-L316 HydrophobicContact CE-CD2 4.16Å; M314-A327 WeakPolarHBondContact CA-O 3.45Å
315	L	95	Very high	93.6	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	120.8	169.7	-173	63.9	0	0	0	109.1	L307 A326 A327 L329 V336 V348 M362	L307-L315 HydrophobicContact CB-CD1 4.32Å; L315-A326 WeakPolarHBondContact O-CA 3.42Å; L315-A327 PolarHBondContact N-O 3.07Å; L315-A327 PolarHBondContact O-N 2.87Å; L315-L329 HydrophobicContact CB-CD1 3.78Å; L315-L329 HydrophobicContact CB-CD2 4.32Å; L315-L329 HydrophobicContact CB-CG 3.87Å; L315-L329 HydrophobicContact CD2-CD2 4.49Å; L315-V336 HydrophobicContact CD1-CG2 4.47Å; L315-V348 HydrophobicContact CD2-CB 4.36Å; L315-V348 HydrophobicContact CD2-CG1 3.76Å; L315-V348 HydrophobicContact CD2-CG2 4.32Å; L315-M362 HydrophobicContact CD2-CE 3.43Å; L315-M362 VanDerWaalsContact CD2-CE 3.43Å; L315-M362 HydrophobicContact CG-CE 4.23Å
316	L	95.3	Very high	93.7	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.6	-176.9	-59.5	172.7	0	0	0	109.3	F288 L307 L308 M314 Y318 L323 A326	F288-L316 HydrophobicContact CD1-CD1 4.29Å; F288-L316 HydrophobicContact CE1-CD1 3.41Å; F288-L316 VanDerWaalsContact CE1-CD1 3.41Å; F288-L316 HydrophobicContact CE2-CD1 3.85Å; F288-L316 HydrophobicContact CZ-CD1 3.14Å; L307-L316 CarbonylContact C-O 3.58Å; L308-L316 HydrophobicContact CB-CB 4.39Å; L308-L316 HydrophobicContact CD2-CD1 4.13Å; L308-L316 PolarHBondContact N-O 3.04Å; L308-L316 PolarHBondContact O-N 2.85Å; M314-L316 HydrophobicContact CE-CD2 4.16Å; L316-Y318 HydrophobicContact CB-CD2 4.15Å; L316-Y318 HydrophobicContact CB-CE2 3.74Å; L316-Y318 HydrophobicContact CD1-CE2 4.1Å; L316-L323 HydrophobicContact CB-CD1 3.9Å; L316-L323 HydrophobicContact CD2-CD1 3.92Å; L316-L323 HydrophobicContact CG-CD1 4.44Å; L316-A326 HydrophobicContact CD2-CB 3.57Å
317	V	94.9	Very high	93.8	Very high	13 Å²	13	41.5 Å²	41.5	8%	0.079	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	110.3	175.9	-172.9	0	0	0	0	108.3	Y296 L306 L307 K324 W325 M362	Y296-V317 HydrophobicContact CE1-CG1 4.37Å; Y296-V317 WeakPolarHBondContact OH-CG1 3.33Å; L306-V317 CarbonylContact O-C 3.59Å; L306-V317 WeakPolarHBondContact O-CA 3.46Å; L307-V317 HydrophobicContact CD2-CB 4.46Å; L307-V317 HydrophobicContact CD2-CG1 4.4Å; L307-V317 HydrophobicContact CD2-CG2 3.74Å; V317-K324 PolarHBondContact O-N 3.44Å; V317-W325 HydrophobicContact CB-CB 3.83Å; V317-W325 HydrophobicContact CG2-CB 3.83Å; V317-W325 PolarHBondContact N-O 2.87Å; V317-W325 PolarHBondContact O-N 3.25Å; V317-M362 HydrophobicContact CG2-CE 3.95Å
318	Y	93.6	Very high	93.8	Very high	15 Å²	15	46.3 Å²	46.3	6%	0.059	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	144.2	175.9	-77.2	-82	0	0	0	111.1	N305 L306 L308 L316 T322 L323	N305-Y318 CarbonylContact C-O 3.39Å; N305-Y318 VanDerWaalsContact CA-O 3.28Å; N305-Y318 WeakPolarHBondContact CA-O 3.47Å; L306-Y318 PolarHBondContact N-O 3.19Å; L306-Y318 PolarHBondContact O-N 2.91Å; L308-Y318 HydrophobicContact CB-CD2 4.42Å; L316-Y318 HydrophobicContact CB-CD2 4.15Å; L316-Y318 HydrophobicContact CB-CE2 3.74Å; L316-Y318 HydrophobicContact CD1-CE2 4.1Å; Y318-T322 WeakPolarHBondContact CA-O 3.45Å; Y318-L323 HydrophobicContact CD1-CB 4.14Å; Y318-L323 HydrophobicContact CD1-CD1 4.35Å; Y318-L323 HydrophobicContact CD2-CD1 4.34Å; Y318-L323 HydrophobicContact CE1-CB 3.68Å; Y318-L323 HydrophobicContact CE1-CD1 3.98Å; Y318-L323 HydrophobicContact CE1-CG 4.42Å; Y318-L323 HydrophobicContact CE2-CD1 3.98Å
319	Q	91.7	Very high	93.6	Very high	27 Å²	27	46.5 Å²	46.5	13%	0.126	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	108.3	160.3	-178.3	172.2	29.8	0	0	107.2	T303 V321 T322 K324	T303-Q319 PolarHBondContact OG1-NE2 3.44Å; Q319-V321 PolarHBondContact O-N 3.27Å; Q319-T322 PolarHBondContact N-O 3.31Å; Q319-T322 PolarHBondContact O-N 3.49Å; Q319-K324 HydrophobicContact CB-CD 4.45Å; Q319-K324 HydrophobicContact CB-CG 3.76Å
320	D	89.4	Confident	93.3	Very high	36 Å²	36	50.9 Å²	50.9	19%	0.193	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	-101.6	-163.6	-59.6	-25.8	0	0	0	111.6	F282 T304	F282-D320 HydrophobicContact CD1-CB 4.23Å; F282-D320 HydrophobicContact CE1-CB 3.71Å; F282-D320 HydrophobicContact CZ-CB 3.88Å; T304-D320 PolarHBondContact N-OD1 2.96Å; T304-D320 PolarHBondContact O-N 3.16Å
321	V	91.9	Very high	93.2	Very high	55 Å²	55	51.5 Å²	51.5	33%	0.333	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-13.6	-179.2	-175.1	0	0	0	0	111.9	F282 K284 Q319	F282-V321 HydrophobicContact CB-CG2 3.83Å; F282-V321 HydrophobicContact CD2-CG2 3.44Å; F282-V321 VanDerWaalsContact CD2-CG2 3.44Å; F282-V321 HydrophobicContact CE2-CG2 4.08Å; F282-V321 HydrophobicContact CG-CG2 3.71Å; K284-V321 HydrophobicContact CB-CG1 4.22Å; K284-V321 HydrophobicContact CD-CG1 3.55Å; K284-V321 HydrophobicContact CG-CG1 4.41Å; Q319-V321 PolarHBondContact O-N 3.27Å
322	T	93.3	Very high	93.2	Very high	79 Å²	79	48.4 Å²	48.4	49%	0.485	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	122.3	-172.3	-53.8	0	0	0	0	110.9	Y318 Q319 K324	Y318-T322 WeakPolarHBondContact CA-O 3.45Å; Q319-T322 PolarHBondContact N-O 3.31Å; Q319-T322 PolarHBondContact O-N 3.49Å; T322-K324 HydrophobicContact CG2-CD 4.37Å; T322-K324 PolarHBondContact O-N 2.97Å
323	L	94.2	Very high	93.3	Very high	84 Å²	84	42.6 Å²	42.6	44%	0.44	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	122.4	172.6	-175.2	66.3	0	0	0	109.5	L316 Y318 W325	L316-L323 HydrophobicContact CB-CD1 3.9Å; L316-L323 HydrophobicContact CD2-CD1 3.92Å; L316-L323 HydrophobicContact CG-CD1 4.44Å; Y318-L323 HydrophobicContact CD1-CB 4.14Å; Y318-L323 HydrophobicContact CD1-CD1 4.35Å; Y318-L323 HydrophobicContact CD2-CD1 4.34Å; Y318-L323 HydrophobicContact CE1-CB 3.68Å; Y318-L323 HydrophobicContact CE1-CD1 3.98Å; Y318-L323 HydrophobicContact CE1-CG 4.42Å; Y318-L323 HydrophobicContact CE2-CD1 3.98Å; L323-W325 VanDerWaalsContact CD1-O 3.32Å; L323-W325 WeakPolarHBondContact CD1-O 3.35Å
324	K	93.6	Very high	93.4	Very high	111 Å²	111	41.5 Å²	41.5	48%	0.483	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-34.7	178.4	-67.7	-55.8	-170.5	-174.7	0	113	V317 Q319 T322	V317-K324 PolarHBondContact O-N 3.44Å; Q319-K324 HydrophobicContact CB-CD 4.45Å; Q319-K324 HydrophobicContact CB-CG 3.76Å; T322-K324 HydrophobicContact CG2-CD 4.37Å; T322-K324 PolarHBondContact O-N 2.97Å
325	W	93.7	Very high	93.5	Very high	69 Å²	69	38.3 Å²	38.3	26%	0.261	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	150.6	-179.8	-160	-102.5	0	0	0	110.8	L3 F4 V317 L323 G363 T364	L3-W325 HydrophobicContact CD1-CH2 3.84Å; L3-W325 HydrophobicContact CD1-CZ2 4.17Å; F4-W325 HydrophobicContact CD1-CH2 4.33Å; F4-W325 AromaticContact CD1-CZ2 3.99Å; F4-W325 HydrophobicContact CD1-CZ2 3.99Å; F4-W325 HydrophobicContact CE1-CE3 4.48Å; F4-W325 HydrophobicContact CE1-CH2 4.03Å; F4-W325 HydrophobicContact CE1-CZ2 4.16Å; F4-W325 HydrophobicContact CE1-CZ3 4.2Å; V317-W325 HydrophobicContact CB-CB 3.83Å; V317-W325 HydrophobicContact CG2-CB 3.83Å; V317-W325 PolarHBondContact N-O 2.87Å; V317-W325 PolarHBondContact O-N 3.25Å; L323-W325 VanDerWaalsContact CD1-O 3.32Å; L323-W325 WeakPolarHBondContact CD1-O 3.35Å; W325-G363 WeakPolarHBondContact CZ2-O 3.36Å; W325-T364 HydrophobicContact CH2-CG2 4.3Å; W325-T364 HydrophobicContact CZ2-CG2 4.26Å
326	A	94.4	Very high	93.5	Very high	24 Å²	24	38.3 Å²	38.3	20%	0.198	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	129.4	171.5	0	0	0	0	0	108.1	F4 L315 L316	F4-A326 WeakPolarHBondContact CB-O 3.48Å; F4-A326 WeakPolarHBondContact CD1-O 3.29Å; L315-A326 WeakPolarHBondContact O-CA 3.42Å; L316-A326 HydrophobicContact CD2-CB 3.57Å
327	A	94.3	Very high	93.4	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.4	179.9	0	0	0	0	0	110.3	F4 A6 M314 L315 L329 M362	F4-A327 CarbonylContact O-C 3.57Å; F4-A327 WeakPolarHBondContact O-CA 3.23Å; A6-A327 HydrophobicContact CB-CB 4.44Å; M314-A327 WeakPolarHBondContact CA-O 3.45Å; L315-A327 PolarHBondContact N-O 3.07Å; L315-A327 PolarHBondContact O-N 2.87Å; A327-L329 PolarHBondContact O-N 2.97Å; A327-M362 HydrophobicContact CB-SD 3.65Å
328	Q	93.7	Very high	93.3	Very high	104 Å²	104	42.6 Å²	42.6	49%	0.486	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	125.9	171.5	-172.1	178.1	24.2	0	0	109.5	F4 A6 N313	F4-Q328 PolarHBondContact O-N 3.48Å; A6-Q328 WeakPolarHBondContact CB-O 3.49Å; A6-Q328 PolarHBondContact N-O 2.89Å; N313-Q328 CarbonylContact O-C 3.54Å
329	L	91.5	Very high	93.2	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	22%	0.222	C	C	.	.			trans	-91.6	154.3	168.9	-71	170.7	0	0	0	109.8	A6 N313 L315 A327 L331 P333 L358	A6-L329 HydrophobicContact CB-CD2 3.59Å; A6-L329 HydrophobicContact CB-CG 4.45Å; N313-L329 WeakPolarHBondContact CB-O 3.37Å; N313-L329 PolarHBondContact O-N 3.24Å; L315-L329 HydrophobicContact CB-CD1 3.78Å; L315-L329 HydrophobicContact CB-CD2 4.32Å; L315-L329 HydrophobicContact CB-CG 3.87Å; L315-L329 HydrophobicContact CD2-CD2 4.49Å; A327-L329 PolarHBondContact O-N 2.97Å; L329-L331 VanDerWaalsContact C-N 3.25Å; L329-L331 WeakPolarHBondContact CB-O 3.11Å; L329-P333 HydrophobicContact CD1-CB 4.36Å; L329-P333 HydrophobicContact CD1-CG 3.67Å; L329-L358 HydrophobicContact CD2-CD2 4.34Å
330	P	90.3	Very high	93.2	Very high	92 Å²	92	43.5 Å²	43.5	60%	0.597	23%	0.231	S	C	*	.	S	Bend	trans	-75.7	-15.1	170.8	31.2	-33.9	0	0	0	112.8	L358	P330-L358 HydrophobicContact CG-CD2 3.53Å
331	L	90.9	Very high	93	Very high	15 Å²	15	42 Å²	42	8%	0.079	22%	0.223	C	C	.	.	S	Bend	trans	-135.5	165.4	-172.8	59.3	80.8	0	0	0	112.3	L329 P333 H356 L358	L329-L331 VanDerWaalsContact C-N 3.25Å; L329-L331 WeakPolarHBondContact CB-O 3.11Å; L331-P333 HydrophobicContact CD1-CB 4.06Å; L331-P333 WeakPolarHBondContact O-CD 3.16Å; L331-H356 HydrophobicContact CD2-CB 3.6Å; L331-L358 HydrophobicContact CD2-CB 4.11Å
332	V	95.1	Very high	92.3	Very high	39 Å²	39	41.8 Å²	41.8	24%	0.236	22%	0.223	C	C	.	.			trans	-87.3	114.4	166.5	179.9	0	0	0	0	108.3	N313 S352	N313-V332 WeakPolarHBondContact OD1-CG2 3.4Å; V332-S352 PolarHBondContact O-OG 2.93Å
333	P	94.9	Very high	91.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.			trans	-79.4	130.1	-179.2	33	-34.9	0	0	0	110.5	S291 C292 L329 L331 V336 L351	S291-P333 WeakPolarHBondContact CB-O 3.35Å; S291-P333 PolarHBondContact OG-O 3.05Å; C292-P333 PolarHBondContact SG-O 3.06Å; L329-P333 HydrophobicContact CD1-CB 4.36Å; L329-P333 HydrophobicContact CD1-CG 3.67Å; L331-P333 HydrophobicContact CD1-CB 4.06Å; L331-P333 WeakPolarHBondContact O-CD 3.16Å; P333-V336 HydrophobicContact CB-CG2 3.76Å; P333-V336 HydrophobicContact CG-CG2 4.2Å; P333-L351 CarbonylContact C-O 3.54Å; P333-L351 WeakPolarHBondContact CA-O 3.41Å
334	V	95.7	Very high	90.9	Very high	29 Å²	29	41.9 Å²	41.9	18%	0.176	22%	0.217	C	C	.	.	S	Bend	trans	-92.6	-27.8	168.8	177.9	0	0	0	0	111.4	C292 L351	C292-V334 VanDerWaalsContact CB-O 3.22Å; C292-V334 WeakPolarHBondContact CB-O 3.29Å; V334-L351 PolarHBondContact N-O 3.22Å
335	A	95.2	Very high	90.6	Very high	2 Å²	2	45 Å²	45	2%	0.017	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	141.9	170.4	0	0	0	0	0	110.9	L25 S350 L351	L25-A335 HydrophobicContact CB-CB 3.65Å; L25-A335 HydrophobicContact CD2-CB 3.86Å; L25-A335 HydrophobicContact CG-CB 4.39Å; A335-S350 WeakPolarHBondContact O-CA 3.31Å; A335-L351 HydrophobicContact CB-CB 4.42Å; A335-L351 PolarHBondContact N-O 2.69Å; A335-L351 PolarHBondContact O-N 3.11Å
336	V	95.5	Very high	90.2	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	133.6	172.8	174.8	0	0	0	0	109.8	C292 L307 L315 P333 V348 V349	C292-V336 VanDerWaalsContact SG-CG2 3.56Å; L307-V336 HydrophobicContact CB-CG1 4.33Å; L307-V336 HydrophobicContact CD1-CG1 3.89Å; L315-V336 HydrophobicContact CD1-CG2 4.47Å; P333-V336 HydrophobicContact CB-CG2 3.76Å; P333-V336 HydrophobicContact CG-CG2 4.2Å; V336-V348 HydrophobicContact CG1-CG1 3.65Å; V336-V349 CarbonylContact C-O 3.56Å; V336-V349 WeakPolarHBondContact CA-O 3.44Å
337	R	94.3	Very high	90.1	Very high	63 Å²	63	42.7 Å²	42.7	24%	0.238	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	159	173.4	-63.8	-63.6	178.1	-104.4	1.8	110.1	L25 V27 V349	L25-R337 HydrophobicContact CD2-CB 4.24Å; L25-R337 HydrophobicContact CD2-CG 3.84Å; L25-R337 HydrophobicContact CG-CG 3.89Å; L25-R337 PolarHBondContact O-NE 3.05Å; V27-R337 HydrophobicContact CB-CB 4.22Å; V27-R337 HydrophobicContact CG2-CB 3.54Å; V27-R337 HydrophobicContact CG2-CG 4.04Å; R337-V349 PolarHBondContact N-O 3.34Å; R337-V349 PolarHBondContact O-N 3.15Å
338	V	93.2	Very high	90.1	Very high	46 Å²	46	43 Å²	43	28%	0.279	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.1	172.4	176.4	0	0	0	0	107.5	L294 L307 V347	L294-V338 HydrophobicContact CD2-CB 4.38Å; L294-V338 HydrophobicContact CD2-CG2 3.88Å; L307-V338 HydrophobicContact CD1-CG2 3.52Å; V338-V347 WeakPolarHBondContact CA-O 3.45Å
339	A	90.9	Very high	90.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	148.6	-176.4	0	0	0	0	0	111.7	V27 D38 L341 G346 V347 V349	V27-A339 HydrophobicContact CG1-CB 3.56Å; V27-A339 HydrophobicContact CG2-CB 4.47Å; D38-A339 HydrophobicContact CB-CB 4.4Å; A339-L341 HydrophobicContact CB-CD2 4.34Å; A339-L341 HydrophobicContact CB-CG 4.3Å; A339-G346 PolarHBondContact O-N 2.8Å; A339-V347 PolarHBondContact N-O 3.44Å; A339-V347 PolarHBondContact O-N 2.75Å; A339-V349 HydrophobicContact CB-CG2 3.8Å
340	N	90.6	Very high	90.3	Very high	61 Å²	61	38 Å²	38	33%	0.326	21%	0.209	S	C	.	.			trans	-102.6	100.6	167.3	-61.8	-56.2	0	0	0	109.6	H37 D38 G346	H37-N340 WeakPolarHBondContact CA-O 3.39Å; D38-N340 PolarHBondContact N-O 2.59Å; D38-N340 PolarHBondContact OD2-N 3.02Å; N340-G346 PolarHBondContact OD1-N 2.61Å
341	L	85.6	Confident	90.6	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.016	18%	0.18	C	C	.	.			trans	-93.6	163.4	179.3	-60.7	179.2	0	0	0	110.4	W9 D38 A339 E343 L344 V347	W9-L341 HydrophobicContact CE3-CD1 4.01Å; W9-L341 HydrophobicContact CH2-CB 4.12Å; W9-L341 HydrophobicContact CH2-CD1 3.59Å; W9-L341 HydrophobicContact CH2-CG 4.48Å; W9-L341 HydrophobicContact CZ3-CD1 3.21Å; W9-L341 HydrophobicContact CZ3-CG 4.48Å; D38-L341 WeakPolarHBondContact O-CD2 3.45Å; A339-L341 HydrophobicContact CB-CD2 4.34Å; A339-L341 HydrophobicContact CB-CG 4.3Å; L341-E343 PolarHBondContact O-N 3.39Å; L341-E343 VanDerWaalsContact O-N 3.08Å; L341-L344 PolarHBondContact N-O 2.88Å; L341-L344 PolarHBondContact O-N 3.13Å; L341-L344 VanDerWaalsContact O-O 3.11Å; L341-V347 HydrophobicContact CB-CG2 4.47Å; L341-V347 HydrophobicContact CD1-CB 4.25Å; L341-V347 HydrophobicContact CD1-CG1 4.22Å; L341-V347 HydrophobicContact CD1-CG2 4.12Å; L341-V347 HydrophobicContact CG-CG2 4.33Å
342	P	77.6	Confident	90.8	Very high	51 Å²	51	33.1 Å²	33.1	33%	0.331	18%	0.178	S	C	.	.	S	Bend	trans	-50.7	-37.8	-171.5	-32.9	39.3	0	0	0	115.9	H37 N55	H37-P342 HydrophobicContact CB-CG 4.32Å; H37-P342 VanDerWaalsContact CE1-CA 3.48Å; H37-P342 WeakPolarHBondContact CE1-CA 3.36Å; N55-P342 WeakPolarHBondContact OD1-CG 3.36Å
343	E	76.6	Confident	90.7	Very high	107 Å²	107	34.2 Å²	34.2	50%	0.5	19%	0.188	S	C	.	.	S	Bend	trans	-104.9	-14.8	-176.4	-63.6	178.7	-169.2	0	0	113.7	A56 L341	A56-E343 WeakPolarHBondContact CB-OE2 3.22Å; L341-E343 PolarHBondContact O-N 3.39Å; L341-E343 VanDerWaalsContact O-N 3.08Å
344	L	82.4	Confident	90.6	Very high	59 Å²	59	38.5 Å²	38.5	31%	0.309	21%	0.211	S	C	.	.			trans	-144.7	124.1	-170.7	-167.6	63	0	0	0	111.6	L341 V347	L341-L344 PolarHBondContact N-O 2.88Å; L341-L344 PolarHBondContact O-N 3.13Å; L341-L344 VanDerWaalsContact O-O 3.11Å; L344-V347 HydrophobicContact CB-CG2 3.73Å; L344-V347 HydrophobicContact CD2-CG2 3.64Å; L344-V347 HydrophobicContact CG-CG2 3.63Å; L344-V347 WeakPolarHBondContact O-CG2 3.21Å
345	K	85.6	Confident	90.4	Very high	176 Å²	176	37.1 Å²	37.1	77%	0.765	20%	0.202	S	C	*	.	S	Bend	trans	-91.6	145.8	172.8	-66.3	-172.8	179.1	-175.5	0	110.6
346	G	86.9	Confident	90.2	Very high	43 Å²	43	41.1 Å²	41.1	44%	0.443	22%	0.22	S	C	.	.	S	Bend	trans	73.1	32.2	176.2	0	0	0	0	0	114.1	A339 N340	A339-G346 PolarHBondContact O-N 2.8Å; N340-G346 PolarHBondContact OD1-N 2.61Å
347	V	92.1	Very high	90.1	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	133	176.3	-174.2	0	0	0	0	109.3	V338 A339 L341 L344 C359	V338-V347 WeakPolarHBondContact CA-O 3.45Å; A339-V347 PolarHBondContact N-O 3.44Å; A339-V347 PolarHBondContact O-N 2.75Å; L341-V347 HydrophobicContact CB-CG2 4.47Å; L341-V347 HydrophobicContact CD1-CB 4.25Å; L341-V347 HydrophobicContact CD1-CG1 4.22Å; L341-V347 HydrophobicContact CD1-CG2 4.12Å; L341-V347 HydrophobicContact CG-CG2 4.33Å; L344-V347 HydrophobicContact CB-CG2 3.73Å; L344-V347 HydrophobicContact CD2-CG2 3.64Å; L344-V347 HydrophobicContact CG-CG2 3.63Å; L344-V347 WeakPolarHBondContact O-CG2 3.21Å; V347-C359 HydrophobicContact CG1-CB 3.85Å
348	V	94.1	Very high	90.1	Very high	8 Å²	8	38.4 Å²	38.4	5%	0.048	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	115.1	175.1	-175.5	0	0	0	0	108.8	L307 L315 V336 S360 M362	L307-V348 HydrophobicContact CD1-CG1 4.17Å; L307-V348 HydrophobicContact CD1-CG2 3.99Å; L315-V348 HydrophobicContact CD2-CB 4.36Å; L315-V348 HydrophobicContact CD2-CG1 3.76Å; L315-V348 HydrophobicContact CD2-CG2 4.32Å; V336-V348 HydrophobicContact CG1-CG1 3.65Å; V348-S360 PolarHBondContact N-O 2.78Å; V348-S360 PolarHBondContact O-N 2.85Å; V348-S360 PolarHBondContact O-OG 3.22Å; V348-M362 HydrophobicContact CG2-CE 4.07Å
349	V	94.4	Very high	90	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	117.4	174.2	-173.2	0	0	0	0	107.9	L25 I40 V336 R337 A339 L357 L358	L25-V349 HydrophobicContact CD1-CG1 4.11Å; L25-V349 HydrophobicContact CD2-CG1 4.17Å; I40-V349 HydrophobicContact CD1-CG1 4.03Å; I40-V349 HydrophobicContact CD1-CG2 4Å; I40-V349 HydrophobicContact CG1-CG1 4.46Å; I40-V349 HydrophobicContact CG1-CG2 4.36Å; I40-V349 HydrophobicContact CG2-CG1 4.11Å; V336-V349 CarbonylContact C-O 3.56Å; V336-V349 WeakPolarHBondContact CA-O 3.44Å; R337-V349 PolarHBondContact N-O 3.34Å; R337-V349 PolarHBondContact O-N 3.15Å; A339-V349 HydrophobicContact CB-CG2 3.8Å; V349-L357 HydrophobicContact CG1-CD1 3.7Å; V349-L358 CarbonylContact C-O 3.52Å; V349-L358 WeakPolarHBondContact CA-O 3.39Å
350	S	95.1	Very high	90	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.007	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.9	176.6	53.2	0	0	0	0	110.6	A335 L358	A335-S350 WeakPolarHBondContact O-CA 3.31Å; S350-L358 PolarHBondContact N-O 3.4Å; S350-L358 PolarHBondContact O-N 2.94Å; S350-L358 PolarHBondContact OG-O 2.93Å
351	L	95.5	Very high	90	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.6	173.9	178.3	65.8	0	0	0	109.4	L14 F20 C24 L25 V42 P333 V334 A335 L357	L14-L351 HydrophobicContact CD1-CD1 4.15Å; F20-L351 HydrophobicContact CB-CD2 3.91Å; F20-L351 HydrophobicContact CB-CG 4.27Å; F20-L351 HydrophobicContact CD1-CD2 4.14Å; F20-L351 HydrophobicContact CG-CD1 4.39Å; F20-L351 HydrophobicContact CG-CD2 4.18Å; C24-L351 HydrophobicContact CB-CD2 4.11Å; L25-L351 HydrophobicContact CB-CB 4.38Å; L25-L351 HydrophobicContact CB-CD2 3.99Å; L25-L351 HydrophobicContact CD2-CB 3.99Å; V42-L351 HydrophobicContact CG1-CD1 4.35Å; V42-L351 HydrophobicContact CG1-CD2 3.91Å; P333-L351 CarbonylContact C-O 3.54Å; P333-L351 WeakPolarHBondContact CA-O 3.41Å; V334-L351 PolarHBondContact N-O 3.22Å; A335-L351 HydrophobicContact CB-CB 4.42Å; A335-L351 PolarHBondContact N-O 2.69Å; A335-L351 PolarHBondContact O-N 3.11Å; L351-L357 HydrophobicContact CB-CD1 4.4Å; L351-L357 HydrophobicContact CD1-CB 4.38Å; L351-L357 HydrophobicContact CD1-CD1 4.34Å
352	S	95.3	Very high	90.2	Very high	5 Å²	5	40.6 Å²	40.6	4%	0.035	21%	0.212	C	C	.	.			trans	-93.4	160.9	172.9	-177.5	0	0	0	0	111.5	V332 D354 G355 H356	V332-S352 PolarHBondContact O-OG 2.93Å; S352-D354 WeakPolarHBondContact CB-OD1 3.46Å; S352-D354 PolarHBondContact O-N 2.83Å; S352-D354 PolarHBondContact OG-OD1 3.34Å; S352-G355 PolarHBondContact O-N 3.17Å; S352-H356 PolarHBondContact N-O 3.35Å
353	S	93.8	Very high	90.7	Very high	62 Å²	62	38.2 Å²	38.2	43%	0.434	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.5	176.9	51.9	0	0	0	0	113.6	E19 F20	E19-S353 WeakPolarHBondContact CA-O 3.34Å; F20-S353 PolarHBondContact N-O 3.47Å
354	D	92.4	Very high	91.2	Very high	90 Å²	90	37.3 Å²	37.3	48%	0.481	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	5.4	-179	61.3	-3.6	0	0	0	113.7	S352 H356	S352-D354 WeakPolarHBondContact CB-OD1 3.46Å; S352-D354 PolarHBondContact O-N 2.83Å; S352-D354 PolarHBondContact OG-OD1 3.34Å; D354-H356 VanDerWaalsContact CG-CD2 3.45Å; D354-H356 IonicContact OD1-CD2 2.91Å; D354-H356 PolarHBondContact OD1-CD2 3.29Å; D354-H356 VanDerWaalsContact OD1-CD2 3.29Å; D354-H356 IonicContact OD1-CG 3.82Å; D354-H356 PolarHBondContact OD1-N 2.8Å; D354-H356 IonicContact OD2-CD2 2.92Å; D354-H356 PolarHBondContact OD2-CD2 3.49Å; D354-H356 VanDerWaalsContact OD2-CD2 3.24Å; D354-H356 IonicContact OD2-NE2 2.84Å
355	G	90.5	Very high	91.1	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	90.7	7.4	176.2	0	0	0	0	0	115.3	L14 F20 S352 L357	L14-G355 VanDerWaalsContact CB-O 3.32Å; L14-G355 WeakPolarHBondContact CB-O 3.2Å; L14-G355 VanDerWaalsContact CG-O 3.3Å; L14-G355 WeakPolarHBondContact CG-O 3.19Å; L14-G355 PolarHBondContact N-O 3.36Å; F20-G355 VanDerWaalsContact CD2-CA 3.47Å; S352-G355 PolarHBondContact O-N 3.17Å; G355-L357 PolarHBondContact O-N 3Å
356	H	92.5	Very high	90.7	Very high	86 Å²	86	34.7 Å²	34.7	40%	0.398	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	112.3	168.7	-71.3	-59.3	0	0	0	111.1	L331 S352 D354	L331-H356 HydrophobicContact CD2-CB 3.6Å; S352-H356 PolarHBondContact N-O 3.35Å; D354-H356 VanDerWaalsContact CG-CD2 3.45Å; D354-H356 IonicContact OD1-CD2 2.91Å; D354-H356 PolarHBondContact OD1-CD2 3.29Å; D354-H356 VanDerWaalsContact OD1-CD2 3.29Å; D354-H356 IonicContact OD1-CG 3.82Å; D354-H356 PolarHBondContact OD1-N 2.8Å; D354-H356 IonicContact OD2-CD2 2.92Å; D354-H356 PolarHBondContact OD2-CD2 3.49Å; D354-H356 VanDerWaalsContact OD2-CD2 3.24Å; D354-H356 IonicContact OD2-NE2 2.84Å
357	L	93.4	Very high	89.9	Confident	1 Å²	1	35 Å²	35	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.3	173.8	-178	64.4	0	0	0	109.3	W10 S11 A12 L14 L25 I40 V42 F52 V349 L351 G355	W10-L357 HydrophobicContact CH2-CD2 3.9Å; W10-L357 HydrophobicContact CZ3-CD2 3.57Å; W10-L357 HydrophobicContact CZ3-CG 3.94Å; S11-L357 CarbonylContact C-O 3.56Å; S11-L357 VanDerWaalsContact CA-O 3.26Å; S11-L357 WeakPolarHBondContact CA-O 3.34Å; A12-L357 PolarHBondContact N-O 2.91Å; A12-L357 PolarHBondContact O-N 3.23Å; L14-L357 HydrophobicContact CD1-CB 4.04Å; L14-L357 HydrophobicContact CD1-CD2 4.28Å; L14-L357 HydrophobicContact CG-CB 4.2Å; L25-L357 HydrophobicContact CD1-CD1 4.2Å; I40-L357 HydrophobicContact CG2-CD1 4.29Å; I40-L357 HydrophobicContact CG2-CD2 4.15Å; V42-L357 HydrophobicContact CG2-CD1 4.36Å; V42-L357 HydrophobicContact CG2-CD2 4.05Å; F52-L357 HydrophobicContact CD2-CD2 3.95Å; F52-L357 HydrophobicContact CE2-CD2 4.05Å; V349-L357 HydrophobicContact CG1-CD1 3.7Å; L351-L357 HydrophobicContact CB-CD1 4.4Å; L351-L357 HydrophobicContact CD1-CB 4.38Å; L351-L357 HydrophobicContact CD1-CD1 4.34Å; G355-L357 PolarHBondContact O-N 3Å
358	L	92.7	Very high	88.5	Confident	6 Å²	6	43.5 Å²	43.5	3%	0.031	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	123.4	-175.8	172.2	70.9	0	0	0	110.7	D8 L329 P330 L331 V349 S350	D8-L358 HydrophobicContact CB-CD1 3.98Å; D8-L358 WeakPolarHBondContact OD1-CD1 3.47Å; L329-L358 HydrophobicContact CD2-CD2 4.34Å; P330-L358 HydrophobicContact CG-CD2 3.53Å; L331-L358 HydrophobicContact CD2-CB 4.11Å; V349-L358 CarbonylContact C-O 3.52Å; V349-L358 WeakPolarHBondContact CA-O 3.39Å; S350-L358 PolarHBondContact N-O 3.4Å; S350-L358 PolarHBondContact O-N 2.94Å; S350-L358 PolarHBondContact OG-O 2.93Å
359	C	92.1	Very high	86.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	114.6	165.8	-67.2	0	0	0	0	108.2	W9 W10 I40 V347	W9-C359 WeakPolarHBondContact CB-O 3.48Å; W9-C359 HydrophobicContact CE3-CB 3.77Å; W9-C359 HydrophobicContact CZ3-CB 4.29Å; W9-C359 PolarHBondContact N-O 3.48Å; W10-C359 HydrophobicContact CB-CB 4.21Å; W10-C359 HydrophobicContact CE3-CB 4.42Å; W10-C359 PolarHBondContact N-O 2.86Å; W10-C359 WeakPolarHBondContact O-CA 3.39Å; W10-C359 WeakPolarHBondContact O-CB 3.29Å; W10-C359 PolarHBondContact O-N 3.47Å; I40-C359 WeakPolarHBondContact CD1-SG 3.38Å; V347-C359 HydrophobicContact CG1-CB 3.85Å
360	S	91.5	Very high	85.3	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	157.4	-173.3	63.6	0	0	0	0	113.7	R7 V348	R7-S360 WeakPolarHBondContact O-CA 3.34Å; R7-S360 WeakPolarHBondContact O-CB 3.41Å; V348-S360 PolarHBondContact N-O 2.78Å; V348-S360 PolarHBondContact O-N 2.85Å; V348-S360 PolarHBondContact O-OG 3.22Å
361	Y	90.1	Very high	83.7	Confident	110 Å²	110	63.4 Å²	63.4	43%	0.431	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	163.1	169	63.7	-85.4	0	0	0	110.7	R7 W9 G363	R7-Y361 HydrophobicContact CB-CD1 4.16Å; R7-Y361 HydrophobicContact CB-CD2 4.06Å; R7-Y361 HydrophobicContact CB-CE1 3.69Å; R7-Y361 HydrophobicContact CB-CE2 3.58Å; R7-Y361 HydrophobicContact CB-CG 4.33Å; R7-Y361 HydrophobicContact CG-CE2 4.04Å; R7-Y361 PolarHBondContact N-O 2.99Å; R7-Y361 PolarHBondContact O-N 3.42Å; W9-Y361 HydrophobicContact CB-CD1 3.95Å; W9-Y361 HydrophobicContact CB-CE1 4.14Å; Y361-G363 PolarHBondContact O-N 3.43Å
362	M	89.5	Confident	82.3	Confident	45 Å²	45	68.1 Å²	68.1	22%	0.222	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	121.4	-176.6	-59.5	-63.7	171.4	0	0	110.8	L315 V317 A327 V348	L315-M362 HydrophobicContact CD2-CE 3.43Å; L315-M362 VanDerWaalsContact CD2-CE 3.43Å; L315-M362 HydrophobicContact CG-CE 4.23Å; V317-M362 HydrophobicContact CG2-CE 3.95Å; A327-M362 HydrophobicContact CB-SD 3.65Å; V348-M362 HydrophobicContact CG2-CE 4.07Å
363	G	87.2	Confident	80.6	Confident	1 Å²	1	77.2 Å²	77.2	1%	0.01	41%	0.409	C	S	.	.			trans	-75.3	124.4	175.5	0	0	0	0	0	112.2	S2 L3 F4 K5 W325 Y361	S2-G363 CarbonylContact O-C 3.56Å; S2-G363 VanDerWaalsContact O-CA 3.31Å; S2-G363 WeakPolarHBondContact O-CA 3.01Å; L3-G363 WeakPolarHBondContact CA-O 3.18Å; F4-G363 PolarHBondContact N-O 3.18Å; K5-G363 WeakPolarHBondContact O-CA 3.48Å; K5-G363 PolarHBondContact O-N 2.78Å; W325-G363 WeakPolarHBondContact CZ2-O 3.36Å; Y361-G363 PolarHBondContact O-N 3.43Å
364	T	87.2	Confident	79	Confident	89 Å²	89	78.5 Å²	78.5	55%	0.546	41%	0.414	S	S	.	.			trans	-114.3	-3.1	-172.2	51.1	0	0	0	0	114.5	S2 W325 P366	S2-T364 PolarHBondContact OG-N 3.01Å; W325-T364 HydrophobicContact CH2-CG2 4.3Å; W325-T364 HydrophobicContact CZ2-CG2 4.26Å; T364-P366 WeakPolarHBondContact O-CD 3.2Å
365	D	81.9	Confident	77.3	Confident	95 Å²	95	81.8 Å²	81.8	51%	0.508	43%	0.431	S	S	.	.			trans	-86.5	110.1	-173.4	-47.1	-52.2	0	0	0	111.2	S2 L3	S2-D365 PolarHBondContact N-O 2.93Å; S2-D365 WeakPolarHBondContact OG-CA 3.48Å; S2-D365 WeakPolarHBondContact OG-CB 3.22Å; S2-D365 PolarHBondContact OG-N 3.41Å; S2-D365 PolarHBondContact OG-OD2 3.02Å; L3-D365 WeakPolarHBondContact CB-O 2.99Å; L3-D365 PolarHBondContact N-O 3.05Å
366	P	76.6	Confident	75.8	Confident	85 Å²	85	86 Å²	86	55%	0.552	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-63.3	138.7	175.4	27.9	-34.1	0	0	0	110.4	L3 T364	L3-P366 HydrophobicContact CD2-CB 4.11Å; T364-P366 WeakPolarHBondContact O-CD 3.2Å
367	S	69.7	Low	74.3	Confident	49 Å²	49	92.6 Å²	92.6	34%	0.343	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-82.4	131.6	169.7	53.8	0	0	0	0	110.3
368	F	62.2	Low	72.8	Confident	179 Å²	179	101.6 Å²	101.6	79%	0.785	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-75.1	123.3	153.8	-65.4	-80.4	0	0	0	107.3	S370	F368-S370 PolarHBondContact O-N 2.98Å
369	F	57.3	Low	71.5	Confident	210 Å²	210	103.7 Å²	103.7	92%	0.921	55%	0.548	S	S	*	.			trans	-69.9	71.3	170.9	-80.8	-90.7	0	0	0	109.3
370	S	64.8	Low	70.8	Confident	89 Å²	89	108 Å²	108	62%	0.622	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-96.3	124.6	166	61	0	0	0	0	107.9	F368 P372	F368-S370 PolarHBondContact O-N 2.98Å; S370-P372 VanDerWaalsContact O-N 3.15Å
371	T	60.7	Low	70.3	Confident	129 Å²	129	116.6 Å²	116.6	79%	0.791	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-48.3	123.2	163.5	39.4	0	0	0	0	108	K373	T371-K373 PolarHBondContact O-N 3.23Å
372	P	66.1	Low	70	Confident	100 Å²	100	119.1 Å²	119.1	65%	0.649	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-53.2	137.6	177.1	17.7	-26.9	0	0	0	108.4	S370 V374	S370-P372 VanDerWaalsContact O-N 3.15Å; P372-V374 HydrophobicContact CB-CG2 4.38Å; P372-V374 HydrophobicContact CG-CG2 4.17Å; P372-V374 WeakPolarHBondContact O-CG2 3.38Å; P372-V374 PolarHBondContact O-N 3.04Å
373	K	60.3	Low	69.8	Low	195 Å²	195	123.3 Å²	123.3	85%	0.848	64%	0.639	S	S	*	*			trans	-66.3	91.8	170.1	-72.3	-174.2	178	-176.5	0	106.9	T371 D375	T371-K373 PolarHBondContact O-N 3.23Å; K373-D375 VanDerWaalsContact C-N 3.31Å; K373-D375 PolarHBondContact O-N 3.33Å; K373-D375 VanDerWaalsContact O-N 3.09Å
374	V	59.3	Low	69.6	Low	89 Å²	89	127.4 Å²	127.4	54%	0.539	66%	0.66	S	S	.	*			trans	-80.3	83.8	178.6	-177.3	0	0	0	0	106.9	P372 A376 R377	P372-V374 HydrophobicContact CB-CG2 4.38Å; P372-V374 HydrophobicContact CG-CG2 4.17Å; P372-V374 WeakPolarHBondContact O-CG2 3.38Å; P372-V374 PolarHBondContact O-N 3.04Å; V374-A376 PolarHBondContact O-N 3.02Å; V374-R377 HydrophobicContact CG1-CB 3.91Å; V374-R377 HydrophobicContact CG1-CG 4.19Å
375	D	58.7	Low	69.7	Low	159 Å²	159	126.8 Å²	126.8	85%	0.85	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	18.2	175.1	-75	-24.2	0	0	0	113	K373	K373-D375 VanDerWaalsContact C-N 3.31Å; K373-D375 PolarHBondContact O-N 3.33Å; K373-D375 VanDerWaalsContact O-N 3.09Å
376	A	59	Low	70	Confident	89 Å²	89	125.1 Å²	125.1	74%	0.736	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.3	33.8	-174.4	0	0	0	0	0	115.7	V374	V374-A376 PolarHBondContact O-N 3.02Å
377	R	59.3	Low	70.5	Confident	225 Å²	225	126.7 Å²	126.7	85%	0.849	65%	0.653	S	S	*	*			trans	-142	69.4	160.9	-72.6	-168.4	179.4	179.6	-0.2	108.8	V374 A379	V374-R377 HydrophobicContact CG1-CB 3.91Å; V374-R377 HydrophobicContact CG1-CG 4.19Å; R377-A379 PolarHBondContact O-N 3.03Å; R377-A379 VanDerWaalsContact O-N 3.14Å
378	E	63.5	Low	71.5	Confident	190 Å²	190	128.8 Å²	128.8	89%	0.888	66%	0.659	S	S	*	*			trans	-58.4	117.3	162.7	-66.8	-178.1	172.3	0	0	106.9	D380	E378-D380 PolarHBondContact O-N 2.89Å
379	A	63.9	Low	72.9	Confident	50 Å²	50	126.3 Å²	126.3	41%	0.413	65%	0.647	S	S	.	*			trans	-61.7	136.2	170.5	0	0	0	0	0	107.9	R377 Y381 I384	R377-A379 PolarHBondContact O-N 3.03Å; R377-A379 VanDerWaalsContact O-N 3.14Å; A379-Y381 VanDerWaalsContact C-N 3.31Å; A379-Y381 WeakPolarHBondContact O-CD2 3.35Å; A379-Y381 PolarHBondContact O-N 3.44Å; A379-I384 HydrophobicContact CB-CD1 4.01Å
380	D	78.3	Confident	74.4	Confident	90 Å²	90	122.7 Å²	122.7	48%	0.481	63%	0.631	S	S	.	*			trans	-69	89	177.4	-171.2	-21.5	0	0	0	109.6	E378 E382 Q383 I384	E378-D380 PolarHBondContact O-N 2.89Å; D380-E382 PolarHBondContact O-N 3.38Å; D380-E382 PolarHBondContact OD1-N 3.31Å; D380-Q383 HydrophobicContact CB-CB 4.16Å; D380-Q383 PolarHBondContact O-N 3.13Å; D380-Q383 PolarHBondContact OD1-N 2.92Å; D380-Q383 VanDerWaalsContact OD1-N 3.16Å; D380-I384 WeakPolarHBondContact O-CG1 3.29Å; D380-I384 PolarHBondContact O-N 2.96Å; D380-I384 VanDerWaalsContact O-N 3.12Å
381	Y	79.8	Confident	75.5	Confident	180 Å²	180	122.5 Å²	122.5	71%	0.706	62%	0.623	S	S	*	*	H	α-helix	trans	-62.7	-25.9	-177.4	-72.8	-80.2	0	0	0	112.4	A379 D385	A379-Y381 VanDerWaalsContact C-N 3.31Å; A379-Y381 WeakPolarHBondContact O-CD2 3.35Å; A379-Y381 PolarHBondContact O-N 3.44Å; Y381-D385 VanDerWaalsContact O-CB 3.3Å; Y381-D385 WeakPolarHBondContact O-CB 3.34Å; Y381-D385 PolarHBondContact O-N 2.93Å
382	E	84.8	Confident	76.8	Confident	164 Å²	164	120.2 Å²	120.2	77%	0.766	60%	0.603	S	S	*	*	H	α-helix	trans	-71	-44.6	177.8	-63	-170.6	169.3	0	0	110.8	D380 D385 A386	D380-E382 PolarHBondContact O-N 3.38Å; D380-E382 PolarHBondContact OD1-N 3.31Å; E382-D385 PolarHBondContact O-N 3.21Å; E382-A386 VanDerWaalsContact O-CB 3.31Å; E382-A386 WeakPolarHBondContact O-CB 3.41Å; E382-A386 PolarHBondContact O-N 3.45Å
383	Q	84.4	Confident	77.9	Confident	132 Å²	132	121.5 Å²	121.5	62%	0.617	60%	0.599	S	S	*	*	H	α-helix	trans	-63.3	-42.6	175.5	-169.2	176.5	12.9	0	0	111.5	D380 A386 E387	D380-Q383 HydrophobicContact CB-CB 4.16Å; D380-Q383 PolarHBondContact O-N 3.13Å; D380-Q383 PolarHBondContact OD1-N 2.92Å; D380-Q383 VanDerWaalsContact OD1-N 3.16Å; Q383-A386 PolarHBondContact O-N 3.5Å; Q383-E387 PolarHBondContact O-N 3.44Å
384	I	84.5	Confident	79	Confident	88 Å²	88	117 Å²	117	45%	0.451	58%	0.579	S	S	.	*	H	α-helix	trans	-65.2	-44.6	179.1	-66.2	169.1	0	0	0	111.3	A379 D380 E387 M388	A379-I384 HydrophobicContact CB-CD1 4.01Å; D380-I384 WeakPolarHBondContact O-CG1 3.29Å; D380-I384 PolarHBondContact O-N 2.96Å; D380-I384 VanDerWaalsContact O-N 3.12Å; I384-E387 PolarHBondContact O-N 3.31Å; I384-M388 VanDerWaalsContact O-CB 3.29Å; I384-M388 WeakPolarHBondContact O-CB 3.28Å; I384-M388 PolarHBondContact O-N 3.38Å
385	D	88.1	Confident	80.2	Confident	75 Å²	75	118 Å²	118	40%	0.401	58%	0.58	S	S	.	*	H	α-helix	trans	-68.2	-37.7	179.2	-176.5	54.1	0	0	0	112	Y381 E382 M388 K389	Y381-D385 VanDerWaalsContact O-CB 3.3Å; Y381-D385 WeakPolarHBondContact O-CB 3.34Å; Y381-D385 PolarHBondContact O-N 2.93Å; E382-D385 PolarHBondContact O-N 3.21Å; D385-M388 PolarHBondContact O-N 2.71Å; D385-K389 WeakPolarHBondContact O-CB 3.42Å; D385-K389 WeakPolarHBondContact O-CG 3.32Å; D385-K389 PolarHBondContact O-N 3.46Å; D385-K389 IonicContact OD1-NZ 3.1Å; D385-K389 WeakPolarHBondContact OD2-CE 3.24Å; D385-K389 IonicContact OD2-NZ 3.67Å; D385-K389 PolarHBondContact OD2-NZ 2.77Å
386	A	89.2	Confident	81.5	Confident	61 Å²	61	119 Å²	119	50%	0.504	57%	0.572	S	S	.	*	H	α-helix	trans	-61.9	-44.6	174.4	0	0	0	0	0	112	E382 Q383 K390	E382-A386 VanDerWaalsContact O-CB 3.31Å; E382-A386 WeakPolarHBondContact O-CB 3.41Å; E382-A386 PolarHBondContact O-N 3.45Å; Q383-A386 PolarHBondContact O-N 3.5Å; A386-K390 PolarHBondContact O-N 3.36Å; A386-K390 VanDerWaalsContact O-N 3.14Å
387	E	87.6	Confident	82.6	Confident	117 Å²	117	119 Å²	119	55%	0.547	56%	0.557	S	S	.	*	H	α-helix	trans	-66	-44.3	175.5	-171.3	175.3	-175.8	0	0	111.7	Q383 I384 K389 K390 L391	Q383-E387 PolarHBondContact O-N 3.44Å; I384-E387 PolarHBondContact O-N 3.31Å; E387-K389 PolarHBondContact O-N 2.68Å; E387-K390 WeakPolarHBondContact O-CB 3.23Å; E387-K390 PolarHBondContact O-N 2.96Å; E387-K390 VanDerWaalsContact O-N 3.14Å; E387-L391 HydrophobicContact CG-CD1 4.21Å; E387-L391 HydrophobicContact CG-CG 4.49Å; E387-L391 WeakPolarHBondContact O-CG 3.34Å; E387-L391 PolarHBondContact O-N 2.84Å
388	M	89.3	Confident	83.4	Confident	94 Å²	94	111.7 Å²	111.7	46%	0.463	54%	0.544	S	S	.	.	H	α-helix	trans	-57.8	-46.4	176.8	-179.2	62.5	71.1	0	0	111.7	I384 D385 K390 L391 Q392	I384-M388 VanDerWaalsContact O-CB 3.29Å; I384-M388 WeakPolarHBondContact O-CB 3.28Å; I384-M388 PolarHBondContact O-N 3.38Å; D385-M388 PolarHBondContact O-N 2.71Å; M388-K390 VanDerWaalsContact C-N 3.33Å; M388-K390 PolarHBondContact O-N 2.82Å; M388-L391 PolarHBondContact O-N 3.46Å; M388-Q392 HydrophobicContact CG-CG 4.46Å; M388-Q392 WeakPolarHBondContact O-CB 3.24Å; M388-Q392 VanDerWaalsContact O-CG 3.32Å; M388-Q392 WeakPolarHBondContact O-CG 3.36Å; M388-Q392 PolarHBondContact O-N 3.34Å; M388-Q392 HydrophobicContact SD-CG 4.27Å
389	K	92.1	Very high	84.1	Confident	126 Å²	126	106.2 Å²	106.2	55%	0.548	52%	0.524	S	S	.	.	H	α-helix	trans	-61.6	-40.3	176.2	-77.7	170.1	177.4	161.4	0	112	D385 E387 K393	D385-K389 WeakPolarHBondContact O-CB 3.42Å; D385-K389 WeakPolarHBondContact O-CG 3.32Å; D385-K389 PolarHBondContact O-N 3.46Å; D385-K389 IonicContact OD1-NZ 3.1Å; D385-K389 WeakPolarHBondContact OD2-CE 3.24Å; D385-K389 IonicContact OD2-NZ 3.67Å; D385-K389 PolarHBondContact OD2-NZ 2.77Å; E387-K389 PolarHBondContact O-N 2.68Å; K389-K393 PolarHBondContact O-N 2.95Å
390	K	89.1	Confident	84.5	Confident	134 Å²	134	114.5 Å²	114.5	58%	0.583	55%	0.545	S	S	*	.	H	α-helix	trans	-62.8	-46.3	176.2	-171.7	-178.3	179	-176.2	0	111.2	A386 E387 M388 K393 F394	A386-K390 PolarHBondContact O-N 3.36Å; A386-K390 VanDerWaalsContact O-N 3.14Å; E387-K390 WeakPolarHBondContact O-CB 3.23Å; E387-K390 PolarHBondContact O-N 2.96Å; E387-K390 VanDerWaalsContact O-N 3.14Å; M388-K390 VanDerWaalsContact C-N 3.33Å; M388-K390 PolarHBondContact O-N 2.82Å; K390-K393 WeakPolarHBondContact O-CB 3.16Å; K390-K393 PolarHBondContact O-N 2.99Å; K390-F394 HydrophobicContact CD-CE2 4.38Å; K390-F394 HydrophobicContact CG-CD2 4.49Å; K390-F394 HydrophobicContact CG-CE2 3.83Å; K390-F394 HydrophobicContact CG-CZ 4.33Å; K390-F394 WeakPolarHBondContact O-CD2 3.43Å; K390-F394 PolarHBondContact O-N 3.26Å
391	L	87.8	Confident	83.5	Confident	85 Å²	85	113.6 Å²	113.6	45%	0.445	54%	0.542	S	S	.	.	H	α-helix	trans	-65.8	-43.1	177.7	-67.7	174.2	0	0	0	112.4	E387 M388 K393 F394 I395	E387-L391 HydrophobicContact CG-CD1 4.21Å; E387-L391 HydrophobicContact CG-CG 4.49Å; E387-L391 WeakPolarHBondContact O-CG 3.34Å; E387-L391 PolarHBondContact O-N 2.84Å; M388-L391 PolarHBondContact O-N 3.46Å; L391-K393 VanDerWaalsContact C-N 3.26Å; L391-K393 PolarHBondContact O-N 3.43Å; L391-F394 HydrophobicContact CD2-CD2 4.48Å; L391-F394 PolarHBondContact O-N 2.98Å; L391-F394 VanDerWaalsContact O-N 3.14Å; L391-I395 WeakPolarHBondContact O-CG1 3.41Å; L391-I395 PolarHBondContact O-N 3.26Å
392	Q	88.5	Confident	82.1	Confident	81 Å²	81	112.7 Å²	112.7	38%	0.379	55%	0.545	S	S	.	.	H	α-helix	trans	-60.9	-35.5	175.7	-75.1	-177.9	9.7	0	0	112.4	M388 I395 R396	M388-Q392 HydrophobicContact CG-CG 4.46Å; M388-Q392 WeakPolarHBondContact O-CB 3.24Å; M388-Q392 VanDerWaalsContact O-CG 3.32Å; M388-Q392 WeakPolarHBondContact O-CG 3.36Å; M388-Q392 PolarHBondContact O-N 3.34Å; M388-Q392 HydrophobicContact SD-CG 4.27Å; Q392-I395 PolarHBondContact O-N 3.21Å; Q392-R396 WeakPolarHBondContact O-CG 3.34Å; Q392-R396 PolarHBondContact O-N 2.87Å
393	K	89.3	Confident	80.3	Confident	128 Å²	128	109.1 Å²	109.1	56%	0.557	53%	0.531	S	S	*	.	H	α-helix	trans	-61.8	-47.2	173.4	-173.8	-178.4	173	-175.2	0	111.2	K389 K390 L391 I395 R396 E397	K389-K393 PolarHBondContact O-N 2.95Å; K390-K393 WeakPolarHBondContact O-CB 3.16Å; K390-K393 PolarHBondContact O-N 2.99Å; L391-K393 VanDerWaalsContact C-N 3.26Å; L391-K393 PolarHBondContact O-N 3.43Å; K393-I395 VanDerWaalsContact C-N 3.34Å; K393-I395 PolarHBondContact O-N 3.28Å; K393-R396 PolarHBondContact O-N 2.96Å; K393-E397 WeakPolarHBondContact CE-OE1 3.34Å; K393-E397 WeakPolarHBondContact O-CG 3.45Å; K393-E397 PolarHBondContact O-N 2.84Å
394	F	83.5	Confident	78.7	Confident	100 Å²	100	111.2 Å²	111.2	44%	0.439	55%	0.545	S	S	.	.	H	α-helix	trans	-60.5	-40.5	175.9	-66.7	-48.1	0	0	0	112.7	K390 L391 E397 A398	K390-F394 HydrophobicContact CD-CE2 4.38Å; K390-F394 HydrophobicContact CG-CD2 4.49Å; K390-F394 HydrophobicContact CG-CE2 3.83Å; K390-F394 HydrophobicContact CG-CZ 4.33Å; K390-F394 WeakPolarHBondContact O-CD2 3.43Å; K390-F394 PolarHBondContact O-N 3.26Å; L391-F394 HydrophobicContact CD2-CD2 4.48Å; L391-F394 PolarHBondContact O-N 2.98Å; L391-F394 VanDerWaalsContact O-N 3.14Å; F394-E397 PolarHBondContact O-N 3.04Å; F394-A398 WeakPolarHBondContact O-CB 3.46Å; F394-A398 PolarHBondContact O-N 3.03Å
395	I	83.6	Confident	76.8	Confident	109 Å²	109	113.6 Å²	113.6	56%	0.559	56%	0.557	S	S	*	*	H	α-helix	trans	-63	-45	176.8	-66.6	168	0	0	0	111	L391 Q392 K393 A398 T399	L391-I395 WeakPolarHBondContact O-CG1 3.41Å; L391-I395 PolarHBondContact O-N 3.26Å; Q392-I395 PolarHBondContact O-N 3.21Å; K393-I395 VanDerWaalsContact C-N 3.34Å; K393-I395 PolarHBondContact O-N 3.28Å; I395-A398 PolarHBondContact O-N 2.81Å; I395-T399 WeakPolarHBondContact O-CB 3.4Å; I395-T399 PolarHBondContact O-N 3.44Å; I395-T399 PolarHBondContact O-OG1 2.9Å
396	R	85.4	Confident	74.8	Confident	181 Å²	181	115.4 Å²	115.4	68%	0.683	57%	0.573	S	S	*	*	H	α-helix	trans	-64.5	-41.1	178.2	-70.9	179.3	-160.5	-179.3	7.8	111.9	Q392 K393 T399 R400	Q392-R396 WeakPolarHBondContact O-CG 3.34Å; Q392-R396 PolarHBondContact O-N 2.87Å; K393-R396 PolarHBondContact O-N 2.96Å; R396-T399 PolarHBondContact O-N 2.83Å; R396-R400 WeakPolarHBondContact O-CB 3.1Å; R396-R400 PolarHBondContact O-N 2.92Å
397	E	82.5	Confident	72.6	Confident	89 Å²	89	119.2 Å²	119.2	42%	0.416	58%	0.578	S	S	.	*	H	α-helix	trans	-63.3	-47.9	175.8	-75.6	173.6	-177.1	0	0	111.2	K393 F394 T399 R400 T401	K393-E397 WeakPolarHBondContact CE-OE1 3.34Å; K393-E397 WeakPolarHBondContact O-CG 3.45Å; K393-E397 PolarHBondContact O-N 2.84Å; F394-E397 PolarHBondContact O-N 3.04Å; E397-T399 VanDerWaalsContact C-N 3.31Å; E397-T399 PolarHBondContact O-N 3.2Å; E397-R400 PolarHBondContact O-N 3.16Å; E397-T401 PolarHBondContact O-N 3Å; E397-T401 PolarHBondContact O-OG1 2.94Å
398	A	77.3	Confident	70.6	Confident	71 Å²	71	118.6 Å²	118.6	59%	0.587	59%	0.587	S	S	*	*	H	α-helix	trans	-61.2	-37.8	176.8	0	0	0	0	0	112.8	F394 I395 T401	F394-A398 WeakPolarHBondContact O-CB 3.46Å; F394-A398 PolarHBondContact O-N 3.03Å; I395-A398 PolarHBondContact O-N 2.81Å; A398-T401 PolarHBondContact O-N 3.25Å
399	T	76.2	Confident	68.6	Low	76 Å²	76	121 Å²	121	47%	0.466	60%	0.602	S	S	.	*	H	α-helix	trans	-73.3	-28.3	179.1	-50.2	0	0	0	0	112.3	I395 R396 E397 T401 Q402	I395-T399 WeakPolarHBondContact O-CB 3.4Å; I395-T399 PolarHBondContact O-N 3.44Å; I395-T399 PolarHBondContact O-OG1 2.9Å; R396-T399 PolarHBondContact O-N 2.83Å; E397-T399 VanDerWaalsContact C-N 3.31Å; E397-T399 PolarHBondContact O-N 3.2Å; T399-T401 VanDerWaalsContact C-N 3.25Å; T399-T401 PolarHBondContact O-N 3.42Å; T399-Q402 WeakPolarHBondContact O-CG 3.33Å
400	R	72.3	Confident	66.5	Low	224 Å²	224	118 Å²	118	85%	0.845	60%	0.601	S	S	*	*	H	α-helix	trans	-69.8	-24.1	176	-163.4	-179.3	74.7	167.2	2.4	112.4	R396 E397 Q402	R396-R400 WeakPolarHBondContact O-CB 3.1Å; R396-R400 PolarHBondContact O-N 2.92Å; E397-R400 PolarHBondContact O-N 3.16Å; R400-Q402 VanDerWaalsContact C-N 3.28Å; R400-Q402 PolarHBondContact O-N 2.77Å
401	T	59	Low	65	Low	70 Å²	70	116 Å²	116	43%	0.429	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.2	25.9	-176.3	-29.1	0	0	0	0	113	E397 A398 T399 D403	E397-T401 PolarHBondContact O-N 3Å; E397-T401 PolarHBondContact O-OG1 2.94Å; A398-T401 PolarHBondContact O-N 3.25Å; T399-T401 VanDerWaalsContact C-N 3.25Å; T399-T401 PolarHBondContact O-N 3.42Å; T401-D403 PolarHBondContact O-N 3.31Å
402	Q	50.3	Low	64	Low	161 Å²	161	117.4 Å²	117.4	75%	0.752	61%	0.607	S	S	*	*			trans	-66.7	35.9	173.5	-79.4	-173.2	-0.3	0	0	114.1	T399 R400	T399-Q402 WeakPolarHBondContact O-CG 3.33Å; R400-Q402 VanDerWaalsContact C-N 3.28Å; R400-Q402 PolarHBondContact O-N 2.77Å
403	D	47.3	Very low	63.3	Low	89 Å²	89	114.3 Å²	114.3	48%	0.476	59%	0.594	S	S	.	*			trans	-71	135.4	155.4	-83.2	-33.9	0	0	0	107.1	T401 L405 K407	T401-D403 PolarHBondContact O-N 3.31Å; D403-L405 CarbonylContact O-C 3.51Å; D403-L405 PolarHBondContact O-N 2.83Å; D403-K407 WeakPolarHBondContact OD2-CE 3.36Å; D403-K407 IonicContact OD2-NZ 2.64Å; D403-K407 PolarHBondContact OD2-NZ 2.75Å
404	I	50.3	Low	63.1	Low	177 Å²	177	108.6 Å²	108.6	91%	0.908	57%	0.569	S	S	*	*	S	Bend	trans	-55.9	-17.7	-178.3	-64.1	164.2	0	0	0	112.2
405	L	43.1	Very low	63.3	Low	137 Å²	137	106.3 Å²	106.3	72%	0.717	57%	0.566	S	S	*	*	S	Bend	trans	-118.1	124.5	173.5	-66.9	166	0	0	0	108.7	D403 K407	D403-L405 CarbonylContact O-C 3.51Å; D403-L405 PolarHBondContact O-N 2.83Å; L405-K407 PolarHBondContact O-N 2.8Å; L405-K407 VanDerWaalsContact O-N 3.09Å
406	P	46.1	Very low	63.6	Low	114 Å²	114	102.1 Å²	102.1	74%	0.74	55%	0.545	S	S	*	.			trans	-58.3	120.1	171.3	23.1	-29.8	0	0	0	108.2	S408	P406-S408 PolarHBondContact O-N 2.9Å
407	K	45	Very low	64	Low	140 Å²	140	100.5 Å²	100.5	61%	0.609	54%	0.543	S	S	*	.			trans	-56.9	125.9	166.6	-74.3	174.9	-179	146.2	0	106.4	D403 L405 D409	D403-K407 WeakPolarHBondContact OD2-CE 3.36Å; D403-K407 IonicContact OD2-NZ 2.64Å; D403-K407 PolarHBondContact OD2-NZ 2.75Å; L405-K407 PolarHBondContact O-N 2.8Å; L405-K407 VanDerWaalsContact O-N 3.09Å; K407-D409 PolarHBondContact O-N 2.8Å
408	S	45	Very low	64.5	Low	105 Å²	105	97.3 Å²	97.3	73%	0.734	53%	0.532	S	S	*	.			trans	-65.3	85.7	175.3	59	0	0	0	0	108.4	P406 A410	P406-S408 PolarHBondContact O-N 2.9Å; S408-A410 PolarHBondContact O-N 2.86Å
409	D	46.3	Very low	65.3	Low	143 Å²	143	97.5 Å²	97.5	77%	0.765	53%	0.526	S	S	*	.			trans	-67.1	78.5	153.1	-74.9	-18.8	0	0	0	105.1	K407 V411	K407-D409 PolarHBondContact O-N 2.8Å; D409-V411 PolarHBondContact O-N 2.8Å
410	A	49.6	Very low	66.1	Low	64 Å²	64	95.7 Å²	95.7	53%	0.529	52%	0.515	S	S	.	.			trans	-68.8	84	179.7	0	0	0	0	0	107.3	S408 D412	S408-A410 PolarHBondContact O-N 2.86Å; A410-D412 PolarHBondContact O-N 2.9Å
411	V	56.4	Low	67	Low	91 Å²	91	87.4 Å²	87.4	55%	0.552	49%	0.491	S	S	*	.			trans	-62.8	99.9	145.6	-170.8	0	0	0	0	103.9	D409 D413	D409-V411 PolarHBondContact O-N 2.8Å; V411-D413 WeakPolarHBondContact CG1-OD1 3.34Å; V411-D413 PolarHBondContact O-N 3.27Å
412	D	66.1	Low	68.2	Low	115 Å²	115	90 Å²	90	62%	0.615	51%	0.512	S	S	*	.			trans	-67.5	65.9	177.7	-85.1	-19.7	0	0	0	109.2	A410 L414 N452	A410-D412 PolarHBondContact O-N 2.9Å; D412-L414 PolarHBondContact O-N 2.97Å; D412-N452 WeakPolarHBondContact O-CB 3.48Å; D412-N452 PolarHBondContact O-ND2 3.06Å
413	D	74.5	Confident	69.9	Low	17 Å²	17	86.3 Å²	86.3	9%	0.091	50%	0.503	C	S	.	.			trans	-61.1	-29.2	178.7	-77.5	-37.3	0	0	0	111.5	V411 N452 S453 Y511 R524	V411-D413 WeakPolarHBondContact CG1-OD1 3.34Å; V411-D413 PolarHBondContact O-N 3.27Å; D413-N452 PolarHBondContact O-N 3.43Å; D413-S453 WeakPolarHBondContact CA-OG 3.42Å; D413-S453 VanDerWaalsContact CB-OG 3.24Å; D413-S453 WeakPolarHBondContact CB-OG 3.4Å; D413-S453 VanDerWaalsContact CG-OG 3.24Å; D413-S453 PolarHBondContact O-N 2.84Å; D413-S453 WeakPolarHBondContact OD1-CB 3.44Å; D413-S453 PolarHBondContact OD1-OG 2.95Å; D413-Y511 HydrophobicContact CB-CE2 4.1Å; D413-R524 WeakPolarHBondContact OD2-CD 3.28Å; D413-R524 IonicContact OD2-CZ 3.58Å; D413-R524 IonicContact OD2-NE 3.67Å
414	L	85.6	Confident	71.9	Confident	7 Å²	7	85.2 Å²	85.2	4%	0.037	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	141.4	-171.9	-178.6	68	0	0	0	111.3	D412 V416 V449 K450 A451 L455 M509 Y511 L526	D412-L414 PolarHBondContact O-N 2.97Å; L414-V416 HydrophobicContact CD2-CG2 3.88Å; L414-V416 HydrophobicContact CG-CG2 4.07Å; L414-V449 HydrophobicContact CD1-CG1 3.38Å; L414-V449 HydrophobicContact CD2-CG1 4.39Å; L414-V449 HydrophobicContact CG-CG1 4.33Å; L414-K450 VanDerWaalsContact CD1-O 3.28Å; L414-K450 WeakPolarHBondContact CD1-O 3.28Å; L414-A451 HydrophobicContact CD1-CB 4.46Å; L414-L455 HydrophobicContact CD1-CD1 3.58Å; L414-L455 HydrophobicContact CD2-CD1 4.48Å; L414-L455 HydrophobicContact CG-CD1 4.4Å; L414-M509 HydrophobicContact CD2-CB 4.08Å; L414-M509 HydrophobicContact CD2-CE 4.16Å; L414-M509 HydrophobicContact CD2-CG 3.58Å; L414-Y511 HydrophobicContact CB-CE1 4.39Å; L414-Y511 HydrophobicContact CD2-CD1 4.07Å; L414-Y511 HydrophobicContact CD2-CE1 3.98Å; L414-L526 HydrophobicContact CB-CD2 4.35Å; L414-L526 HydrophobicContact CD2-CD2 4.08Å; L414-L526 HydrophobicContact CG-CD2 4.15Å
415	S	87.9	Confident	73.9	Confident	53 Å²	53	78.1 Å²	78.1	37%	0.371	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.6	168.5	59.2	0	0	0	0	111.2	K450	S415-K450 PolarHBondContact N-O 2.92Å; S415-K450 PolarHBondContact O-N 2.84Å; S415-K450 WeakPolarHBondContact OG-CB 3.3Å; S415-K450 PolarHBondContact OG-O 2.72Å
416	V	90.4	Very high	76	Confident	20 Å²	20	78 Å²	78	12%	0.121	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116.9	-178.9	177.5	0	0	0	0	109.3	L414 V447 V449 I507 M509 L526 S528	L414-V416 HydrophobicContact CD2-CG2 3.88Å; L414-V416 HydrophobicContact CG-CG2 4.07Å; V416-V447 HydrophobicContact CG1-CG1 3.73Å; V416-V449 HydrophobicContact CG2-CG1 4.39Å; V416-V449 HydrophobicContact CG2-CG2 4.34Å; V416-I507 HydrophobicContact CG1-CG2 3.97Å; V416-M509 HydrophobicContact CG2-CE 4.3Å; V416-L526 HydrophobicContact CB-CD2 4.14Å; V416-L526 HydrophobicContact CG2-CD2 3.72Å; V416-S528 PolarHBondContact O-OG 3.09Å
417	K	92.1	Very high	78	Confident	147 Å²	147	77.6 Å²	77.6	64%	0.639	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	121.7	178.4	-172.5	177.7	179.7	-179.3	0	110.5	K448	K417-K448 PolarHBondContact N-O 2.9Å; K417-K448 PolarHBondContact O-N 2.97Å
418	A	93.4	Very high	80.2	Confident	23 Å²	23	73.2 Å²	73.2	19%	0.19	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	135.8	172.6	0	0	0	0	0	110.9	V445 Q446 V447 I507 F530	A418-V445 HydrophobicContact CB-CG1 4.44Å; A418-Q446 CarbonylContact C-O 3.58Å; A418-Q446 WeakPolarHBondContact CA-O 3.4Å; A418-V447 HydrophobicContact CB-CG2 4.41Å; A418-I507 HydrophobicContact CB-CD1 3.5Å; A418-I507 VanDerWaalsContact CB-CD1 3.5Å; A418-F530 HydrophobicContact CB-CB 3.8Å; A418-F530 HydrophobicContact CB-CD1 4.4Å; A418-F530 HydrophobicContact CB-CG 4.35Å
419	T	93.9	Very high	82.4	Confident	75 Å²	75	73.1 Å²	73.1	46%	0.46	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	116.6	175.7	-48.8	0	0	0	0	108.1	Q446	T419-Q446 PolarHBondContact N-O 3.38Å; T419-Q446 PolarHBondContact O-N 3.01Å
420	V	93.6	Very high	84.5	Confident	38 Å²	38	67 Å²	67	23%	0.23	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	133	177.3	-176.1	0	0	0	0	108.6	V443 V445 F530 S531	V420-V443 HydrophobicContact CG1-CG2 3.79Å; V420-V445 HydrophobicContact CG1-CG2 4.32Å; V420-V445 HydrophobicContact CG2-CG1 4.17Å; V420-V445 HydrophobicContact CG2-CG2 4.07Å; V420-F530 HydrophobicContact CG2-CB 4.26Å; V420-F530 HydrophobicContact CG2-CD2 4.08Å; V420-S531 WeakPolarHBondContact CG2-O 3.28Å
421	S	91.8	Very high	86.4	Confident	49 Å²	49	70.1 Å²	70.1	34%	0.343	42%	0.415	S	S	.	.			trans	-58.1	139.8	176.4	178.8	0	0	0	0	111.2	C423 T444	S421-C423 VanDerWaalsContact C-N 3.25Å; S421-C423 PolarHBondContact O-N 3.04Å; S421-C423 PolarHBondContact OG-N 3.29Å; S421-C423 PolarHBondContact OG-O 3.39Å; S421-T444 VanDerWaalsContact CB-O 3.27Å; S421-T444 WeakPolarHBondContact CB-O 3.39Å; S421-T444 PolarHBondContact N-O 2.95Å
422	S	84.1	Confident	87.9	Confident	125 Å²	125	68.2 Å²	68.2	87%	0.874	40%	0.401	S	S	*	.	S	Bend	trans	-74.9	-16.1	175.7	56.4	0	0	0	0	113.4
423	C	86.4	Confident	88.9	Confident	84 Å²	84	70.8 Å²	70.8	57%	0.568	41%	0.409	S	S	*	.	S	Bend	trans	-116.5	143.7	179.4	-60.2	0	0	0	0	109.9	S421	S421-C423 VanDerWaalsContact C-N 3.25Å; S421-C423 PolarHBondContact O-N 3.04Å; S421-C423 PolarHBondContact OG-N 3.29Å; S421-C423 PolarHBondContact OG-O 3.39Å
424	L	89.5	Confident	89.5	Confident	66 Å²	66	73.8 Å²	73.8	35%	0.346	43%	0.425	S	S	.	.			trans	-69.2	150.8	170.5	-58.8	174.3	0	0	0	110.1	P441 V443 P533 A535	L424-P441 HydrophobicContact CD1-CB 3.86Å; L424-P441 HydrophobicContact CD1-CG 4.43Å; L424-P441 HydrophobicContact CD2-CB 4.33Å; L424-P441 HydrophobicContact CG-CB 4.46Å; L424-V443 HydrophobicContact CD2-CB 4.24Å; L424-P533 HydrophobicContact CD2-CG 4.47Å; L424-A535 HydrophobicContact CD1-CB 4.32Å
425	D	90.8	Very high	89.6	Confident	27 Å²	27	73.9 Å²	73.9	14%	0.144	43%	0.426	C	S	.	.			trans	-72.7	138.4	-175.4	-53.3	-32.8	0	0	0	111.2	P427 S442 V443 T444 S491	D425-P427 CarbonylContact O-C 3.52Å; D425-S442 VanDerWaalsContact CB-OG 3.32Å; D425-S442 WeakPolarHBondContact CB-OG 3.36Å; D425-S442 PolarHBondContact N-O 2.84Å; D425-S442 PolarHBondContact OD2-OG 3.48Å; D425-V443 PolarHBondContact OD2-N 3.19Å; D425-T444 VanDerWaalsContact CG-OG1 3.27Å; D425-T444 WeakPolarHBondContact OD1-CB 3.47Å; D425-T444 PolarHBondContact OD1-N 3.47Å; D425-T444 PolarHBondContact OD1-OG1 3.24Å; D425-T444 PolarHBondContact OD2-N 3.4Å; D425-T444 PolarHBondContact OD2-OG1 2.88Å; D425-S491 WeakPolarHBondContact OD2-CB 3.4Å; D425-S491 PolarHBondContact OD2-OG 3.32Å
426	T	88	Confident	89.4	Confident	136 Å²	136	77.8 Å²	77.8	83%	0.834	44%	0.442	S	S	*	.	S	Bend	trans	-131.5	109.5	174.4	53.3	0	0	0	0	109.8
427	P	87.3	Confident	89	Confident	104 Å²	104	79.6 Å²	79.6	68%	0.675	47%	0.466	S	S	*	.	S	Bend	cis	-73.1	156.3	-0.9	32.1	-35.9	0	0	0	113.6	D425	D425-P427 CarbonylContact O-C 3.52Å
428	S	91.5	Very high	88.8	Confident	49 Å²	49	74.5 Å²	74.5	34%	0.343	45%	0.445	S	S	.	.			trans	-63.6	142	174.6	-179.3	0	0	0	0	111.6	A430 V440 S442	S428-A430 WeakPolarHBondContact OG-CB 3.38Å; S428-A430 PolarHBondContact OG-N 3.01Å; S428-V440 WeakPolarHBondContact CB-O 3.46Å; S428-V440 PolarHBondContact OG-O 3.41Å; S428-S442 PolarHBondContact OG-N 3.23Å
429	Q	90.9	Very high	88.6	Confident	103 Å²	103	77.9 Å²	77.9	48%	0.481	47%	0.465	S	S	.	.			trans	-96.5	10.6	175.6	-59.2	-61.7	-49.9	0	0	112.7	S442 T471	Q429-S442 PolarHBondContact N-OG 2.96Å; Q429-T471 HydrophobicContact CB-CG2 3.92Å
430	A	90.8	Very high	88.5	Confident	15 Å²	15	74.4 Å²	74.4	12%	0.124	44%	0.444	C	S	.	.			trans	-66.9	142.3	-179	0	0	0	0	0	112.6	S428 I432 V440 F493	S428-A430 WeakPolarHBondContact OG-CB 3.38Å; S428-A430 PolarHBondContact OG-N 3.01Å; A430-I432 WeakPolarHBondContact CB-O 3.17Å; A430-V440 HydrophobicContact CB-CB 3.98Å; A430-V440 HydrophobicContact CB-CG1 3.74Å; A430-F493 HydrophobicContact CB-CB 3.75Å; A430-F493 HydrophobicContact CB-CD2 3.89Å; A430-F493 HydrophobicContact CB-CG 3.86Å
431	L	89.9	Confident	88.5	Confident	128 Å²	128	73.6 Å²	73.6	67%	0.67	44%	0.439	S	S	*	.	S	Bend	trans	-69.4	-40.9	176.4	-66.7	172.1	0	0	0	112.1	F493	L431-F493 HydrophobicContact CB-CE2 3.99Å; L431-F493 HydrophobicContact CB-CZ 4.44Å; L431-F493 HydrophobicContact CD1-CE2 3.95Å; L431-F493 HydrophobicContact CD1-CZ 3.93Å; L431-F493 HydrophobicContact CG-CE2 3.7Å; L431-F493 HydrophobicContact CG-CZ 3.67Å
432	I	88.1	Confident	88.7	Confident	51 Å²	51	71.3 Å²	71.3	26%	0.262	42%	0.423	S	S	.	.	S	Bend	trans	-88.8	117.5	172.2	-57.4	175	0	0	0	106.6	A430 D434 I435 V440	A430-I432 WeakPolarHBondContact CB-O 3.17Å; I432-D434 VanDerWaalsContact CG2-O 3.32Å; I432-D434 WeakPolarHBondContact CG2-O 3.39Å; I432-I435 HydrophobicContact CG2-CD1 4.33Å; I432-I435 HydrophobicContact CG2-CG1 3.72Å; I432-V440 HydrophobicContact CB-CG2 4.41Å; I432-V440 HydrophobicContact CG2-CG2 4.2Å; I432-V440 VanDerWaalsContact O-CB 3.23Å; I432-V440 WeakPolarHBondContact O-CB 3.41Å; I432-V440 VanDerWaalsContact O-CG2 3.3Å; I432-V440 WeakPolarHBondContact O-CG2 3.42Å
433	Q	86.2	Confident	89.2	Confident	170 Å²	170	65.3 Å²	65.3	79%	0.794	38%	0.381	S	S	*	.			trans	-75.1	-36	-176.8	-66.2	-176.7	-2.8	0	0	112.5	P439 V440	Q433-P439 WeakPolarHBondContact O-CA 3.45Å; Q433-V440 PolarHBondContact O-N 2.91Å
434	D	88.4	Confident	89.7	Confident	80 Å²	80	63.1 Å²	63.1	43%	0.428	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	141.8	-172.5	-178.3	-94	0	0	0	110.6	I432 G437 L438	I432-D434 VanDerWaalsContact CG2-O 3.32Å; I432-D434 WeakPolarHBondContact CG2-O 3.39Å; D434-G437 WeakPolarHBondContact OD1-CA 3.19Å; D434-G437 PolarHBondContact OD1-N 3.13Å; D434-G437 WeakPolarHBondContact OD2-CA 3.38Å; D434-L438 WeakPolarHBondContact CA-O 3.28Å; D434-L438 WeakPolarHBondContact OD2-CA 3.44Å; D434-L438 PolarHBondContact OD2-N 3.1Å
435	I	87.3	Confident	90	Very high	8 Å²	8	60 Å²	60	4%	0.041	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	118.8	170.5	-58.8	172.4	0	0	0	107.2	I432 G437 L438 V440 L494 L586	I432-I435 HydrophobicContact CG2-CD1 4.33Å; I432-I435 HydrophobicContact CG2-CG1 3.72Å; I435-G437 PolarHBondContact O-N 3.34Å; I435-L438 PolarHBondContact N-O 3.1Å; I435-L438 WeakPolarHBondContact O-CB 3.37Å; I435-L438 PolarHBondContact O-N 3.36Å; I435-V440 HydrophobicContact CD1-CG2 3.8Å; I435-V440 HydrophobicContact CG1-CG2 3.72Å; I435-L494 HydrophobicContact CD1-CD2 4.08Å; I435-L586 HydrophobicContact CD1-CB 4.48Å; I435-L586 WeakPolarHBondContact CG2-O 3.3Å
436	D	83.1	Confident	90.2	Very high	135 Å²	135	64 Å²	64	72%	0.722	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	36.4	179.4	-63.5	-29.6	0	0	0	114.9	L438	D436-L438 VanDerWaalsContact C-N 3.32Å
437	G	82.4	Confident	90.5	Very high	59 Å²	59	57.6 Å²	57.6	61%	0.608	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	8.7	-179.2	0	0	0	0	0	114.5	D434 I435	D434-G437 WeakPolarHBondContact OD1-CA 3.19Å; D434-G437 PolarHBondContact OD1-N 3.13Å; D434-G437 WeakPolarHBondContact OD2-CA 3.38Å; I435-G437 PolarHBondContact O-N 3.34Å
438	L	87.3	Confident	90.8	Very high	39 Å²	39	57.3 Å²	57.3	20%	0.204	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.4	172.4	-61.9	172.5	0	0	0	111.2	D434 I435 D436 V539 L586	D434-L438 WeakPolarHBondContact CA-O 3.28Å; D434-L438 WeakPolarHBondContact OD2-CA 3.44Å; D434-L438 PolarHBondContact OD2-N 3.1Å; I435-L438 PolarHBondContact N-O 3.1Å; I435-L438 WeakPolarHBondContact O-CB 3.37Å; I435-L438 PolarHBondContact O-N 3.36Å; D436-L438 VanDerWaalsContact C-N 3.32Å; L438-V539 HydrophobicContact CD1-CG2 3.78Å; L438-V539 HydrophobicContact CD2-CG2 4.23Å; L438-L586 HydrophobicContact CB-CD2 3.86Å; L438-L586 HydrophobicContact CD1-CD2 4.24Å
439	P	89.8	Confident	90.8	Very high	94 Å²	94	55 Å²	55	61%	0.61	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	136.8	178.9	28	-34.2	0	0	0	111.1	Q433 P441	Q433-P439 WeakPolarHBondContact O-CA 3.45Å; P439-P441 WeakPolarHBondContact O-CD 3.46Å
440	V	92.1	Very high	90.8	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.012	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-83.6	117.8	178.6	-175.5	0	0	0	0	109.9	S428 A430 I432 Q433 I435 L494 L586	S428-V440 WeakPolarHBondContact CB-O 3.46Å; S428-V440 PolarHBondContact OG-O 3.41Å; A430-V440 HydrophobicContact CB-CB 3.98Å; A430-V440 HydrophobicContact CB-CG1 3.74Å; I432-V440 HydrophobicContact CB-CG2 4.41Å; I432-V440 HydrophobicContact CG2-CG2 4.2Å; I432-V440 VanDerWaalsContact O-CB 3.23Å; I432-V440 WeakPolarHBondContact O-CB 3.41Å; I432-V440 VanDerWaalsContact O-CG2 3.3Å; I432-V440 WeakPolarHBondContact O-CG2 3.42Å; Q433-V440 PolarHBondContact O-N 2.91Å; I435-V440 HydrophobicContact CD1-CG2 3.8Å; I435-V440 HydrophobicContact CG1-CG2 3.72Å; V440-L494 HydrophobicContact CG1-CB 4.01Å; V440-L586 HydrophobicContact CG1-CD1 4.34Å
441	P	92.9	Very high	90.8	Very high	22 Å²	22	54 Å²	54	14%	0.143	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-79	159.3	178.2	32.6	-33	0	0	0	112	L424 P439 L536	L424-P441 HydrophobicContact CD1-CB 3.86Å; L424-P441 HydrophobicContact CD1-CG 4.43Å; L424-P441 HydrophobicContact CD2-CB 4.33Å; L424-P441 HydrophobicContact CG-CB 4.46Å; P439-P441 WeakPolarHBondContact O-CD 3.46Å; P441-L536 HydrophobicContact CG-CD1 4.36Å; P441-L536 WeakPolarHBondContact CG-O 3.06Å; P441-L536 WeakPolarHBondContact O-CD1 3.31Å
442	S	95.2	Very high	90.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	157.9	165.8	71	0	0	0	0	110.6	D425 S428 Q429 A492	D425-S442 VanDerWaalsContact CB-OG 3.32Å; D425-S442 WeakPolarHBondContact CB-OG 3.36Å; D425-S442 PolarHBondContact N-O 2.84Å; D425-S442 PolarHBondContact OD2-OG 3.48Å; S428-S442 PolarHBondContact OG-N 3.23Å; Q429-S442 PolarHBondContact N-OG 2.96Å; S442-A492 CarbonylContact C-O 3.59Å; S442-A492 VanDerWaalsContact CA-O 3.3Å; S442-A492 WeakPolarHBondContact CA-O 3.24Å
443	V	95.7	Very high	90.3	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	125.6	175.7	64.7	0	0	0	0	111	V420 L424 D425 S491 A492 L532 P533 L536	V420-V443 HydrophobicContact CG1-CG2 3.79Å; L424-V443 HydrophobicContact CD2-CB 4.24Å; D425-V443 PolarHBondContact OD2-N 3.19Å; V443-S491 CarbonylContact O-C 3.53Å; V443-S491 WeakPolarHBondContact O-CA 3.32Å; V443-A492 HydrophobicContact CG1-CB 4.31Å; V443-A492 PolarHBondContact N-O 3.42Å; V443-A492 PolarHBondContact O-N 3.05Å; V443-L532 HydrophobicContact CG1-CD2 3.66Å; V443-P533 HydrophobicContact CG1-CG 4.41Å; V443-P533 HydrophobicContact CG2-CG 4.35Å; V443-L536 HydrophobicContact CB-CD1 4.31Å; V443-L536 HydrophobicContact CG1-CD1 3.94Å; V443-L536 HydrophobicContact CG1-CD2 4.14Å
444	T	95.9	Very high	90.2	Very high	38 Å²	38	45.2 Å²	45.2	23%	0.233	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	129.3	175.2	-57.3	0	0	0	0	111.3	S421 D425 Q446 A489 F490 S491	S421-T444 VanDerWaalsContact CB-O 3.27Å; S421-T444 WeakPolarHBondContact CB-O 3.39Å; S421-T444 PolarHBondContact N-O 2.95Å; D425-T444 VanDerWaalsContact CG-OG1 3.27Å; D425-T444 WeakPolarHBondContact OD1-CB 3.47Å; D425-T444 PolarHBondContact OD1-N 3.47Å; D425-T444 PolarHBondContact OD1-OG1 3.24Å; D425-T444 PolarHBondContact OD2-N 3.4Å; D425-T444 PolarHBondContact OD2-OG1 2.88Å; T444-Q446 HydrophobicContact CG2-CG 4.48Å; T444-A489 HydrophobicContact CG2-CB 4.2Å; T444-F490 CarbonylContact C-O 3.56Å; T444-F490 WeakPolarHBondContact CA-O 3.49Å; T444-S491 PolarHBondContact OG1-OG 3.12Å
445	V	95.9	Very high	89.9	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	124.2	171.7	-175.5	0	0	0	0	108.6	A418 V420 V447 A489 F490 F530 L532	A418-V445 HydrophobicContact CB-CG1 4.44Å; V420-V445 HydrophobicContact CG1-CG2 4.32Å; V420-V445 HydrophobicContact CG2-CG1 4.17Å; V420-V445 HydrophobicContact CG2-CG2 4.07Å; V445-V447 HydrophobicContact CG1-CG2 4.44Å; V445-A489 WeakPolarHBondContact O-CA 3.33Å; V445-F490 HydrophobicContact CB-CD2 4.28Å; V445-F490 HydrophobicContact CB-CE1 4.13Å; V445-F490 HydrophobicContact CB-CE2 3.74Å; V445-F490 HydrophobicContact CB-CZ 3.66Å; V445-F490 HydrophobicContact CG1-CE1 4.17Å; V445-F490 HydrophobicContact CG1-CE2 4.3Å; V445-F490 HydrophobicContact CG1-CZ 3.74Å; V445-F490 HydrophobicContact CG2-CE2 3.96Å; V445-F490 HydrophobicContact CG2-CZ 4.25Å; V445-F490 PolarHBondContact N-O 3.47Å; V445-F490 PolarHBondContact O-N 2.93Å; V445-F490 VanDerWaalsContact O-N 3.13Å; V445-F530 HydrophobicContact CG1-CD2 4.24Å; V445-F530 HydrophobicContact CG1-CE2 4.42Å; V445-F530 HydrophobicContact CG1-CG 4.45Å; V445-F530 HydrophobicContact CG2-CD2 4.3Å; V445-F530 HydrophobicContact CG2-CE2 4.08Å; V445-L532 HydrophobicContact CG2-CD2 4.01Å
446	Q	95.2	Very high	89.8	Confident	112 Å²	112	44.5 Å²	44.5	52%	0.523	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	124.8	176.2	-67.3	-178.6	-7.6	0	0	110	A418 T419 T444 A489	A418-Q446 CarbonylContact C-O 3.58Å; A418-Q446 WeakPolarHBondContact CA-O 3.4Å; T419-Q446 PolarHBondContact N-O 3.38Å; T419-Q446 PolarHBondContact O-N 3.01Å; T444-Q446 HydrophobicContact CG2-CG 4.48Å; Q446-A489 HydrophobicContact CG-CB 4.24Å
447	V	94.9	Very high	89.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	117.5	178.4	-175.8	0	0	0	0	109.2	V416 A418 V445 V449 L460 E487 V488 F490 I507	V416-V447 HydrophobicContact CG1-CG1 3.73Å; A418-V447 HydrophobicContact CB-CG2 4.41Å; V445-V447 HydrophobicContact CG1-CG2 4.44Å; V447-V449 HydrophobicContact CG1-CG2 4.17Å; V447-L460 HydrophobicContact CG1-CD1 4.37Å; V447-L460 HydrophobicContact CG1-CD2 4.4Å; V447-E487 WeakPolarHBondContact O-CA 3.46Å; V447-V488 HydrophobicContact CB-CG2 3.86Å; V447-V488 PolarHBondContact N-O 2.97Å; V447-V488 PolarHBondContact O-N 3.14Å; V447-F490 HydrophobicContact CG2-CD1 4.48Å; V447-F490 HydrophobicContact CG2-CE1 3.64Å; V447-F490 HydrophobicContact CG2-CZ 4.45Å; V447-I507 HydrophobicContact CB-CD1 4.44Å; V447-I507 HydrophobicContact CG1-CD1 4.07Å; V447-I507 HydrophobicContact CG1-CG2 4.4Å; V447-I507 HydrophobicContact CG2-CD1 3.47Å; V447-I507 VanDerWaalsContact CG2-CD1 3.47Å; V447-I507 HydrophobicContact CG2-CG1 4.39Å
448	K	93.8	Very high	90.2	Very high	99 Å²	99	39.9 Å²	39.9	43%	0.43	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	118.5	176.3	-171.8	170.3	-167.7	136.4	0	109.8	K417 T485 E487	K417-K448 PolarHBondContact N-O 2.9Å; K417-K448 PolarHBondContact O-N 2.97Å; K448-T485 HydrophobicContact CD-CG2 4.28Å; K448-T485 HydrophobicContact CG-CG2 3.76Å; K448-E487 HydrophobicContact CB-CG 4.11Å; K448-E487 HydrophobicContact CD-CG 4.4Å; K448-E487 VanDerWaalsContact CD-OE1 3.3Å; K448-E487 WeakPolarHBondContact CD-OE1 3.33Å; K448-E487 WeakPolarHBondContact CE-OE1 3.43Å; K448-E487 HydrophobicContact CG-CG 3.87Å; K448-E487 IonicContact NZ-OE1 3.82Å; K448-E487 PolarHBondContact NZ-OE1 3.33Å
449	V	91.9	Very high	90.5	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	119.3	-179.3	-178.7	0	0	0	0	108.1	L414 V416 V447 L460 L477 M480 T485 K486 M509	L414-V449 HydrophobicContact CD1-CG1 3.38Å; L414-V449 HydrophobicContact CD2-CG1 4.39Å; L414-V449 HydrophobicContact CG-CG1 4.33Å; V416-V449 HydrophobicContact CG2-CG1 4.39Å; V416-V449 HydrophobicContact CG2-CG2 4.34Å; V447-V449 HydrophobicContact CG1-CG2 4.17Å; V449-L460 HydrophobicContact CG2-CD1 4.4Å; V449-L477 HydrophobicContact CG1-CD1 4.25Å; V449-L477 HydrophobicContact CG2-CD1 4.39Å; V449-M480 HydrophobicContact CG1-SD 4.37Å; V449-T485 CarbonylContact O-C 3.56Å; V449-T485 VanDerWaalsContact O-CA 3.26Å; V449-T485 WeakPolarHBondContact O-CA 3.37Å; V449-T485 WeakPolarHBondContact O-CG2 3.39Å; V449-K486 PolarHBondContact N-O 2.68Å; V449-K486 PolarHBondContact O-N 2.91Å; V449-M509 HydrophobicContact CB-CE 4.22Å; V449-M509 HydrophobicContact CG1-CE 3.52Å; V449-M509 HydrophobicContact CG2-CE 3.61Å
450	K	90.7	Very high	90.7	Very high	97 Å²	97	37 Å²	37	42%	0.422	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	119.4	177.1	174.3	-174.7	178.3	-174	0	110	L414 S415 T485	L414-K450 VanDerWaalsContact CD1-O 3.28Å; L414-K450 WeakPolarHBondContact CD1-O 3.28Å; S415-K450 PolarHBondContact N-O 2.92Å; S415-K450 PolarHBondContact O-N 2.84Å; S415-K450 WeakPolarHBondContact OG-CB 3.3Å; S415-K450 PolarHBondContact OG-O 2.72Å; K450-T485 HydrophobicContact CB-CG2 4.27Å
451	A	89.6	Confident	90.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.7	178.7	0	0	0	0	0	110.9	L414 L455 M480 G483 S484	L414-A451 HydrophobicContact CD1-CB 4.46Å; A451-L455 HydrophobicContact CB-CD1 3.59Å; A451-L455 HydrophobicContact CB-CG 4.04Å; A451-M480 HydrophobicContact CB-CB 4.04Å; A451-M480 HydrophobicContact CB-CE 4.05Å; A451-G483 VanDerWaalsContact O-CA 3.28Å; A451-G483 WeakPolarHBondContact O-CA 3.35Å; A451-G483 PolarHBondContact O-N 3.15Å; A451-S484 PolarHBondContact N-O 3.45Å
452	N	85.4	Confident	91	Very high	69 Å²	69	37.7 Å²	37.7	37%	0.369	20%	0.198	S	C	.	.	S	Bend	trans	-105.9	-11.3	173.2	-62.6	-26.7	0	0	0	111.8	D412 D413	D412-N452 WeakPolarHBondContact O-CB 3.48Å; D412-N452 PolarHBondContact O-ND2 3.06Å; D413-N452 PolarHBondContact O-N 3.43Å
453	S	82.6	Confident	91	Very high	25 Å²	25	40.8 Å²	40.8	18%	0.175	22%	0.219	C	C	.	.	S	Bend	trans	-131.4	174.7	169.2	61.8	0	0	0	0	111.1	D413 L455	D413-S453 WeakPolarHBondContact CA-OG 3.42Å; D413-S453 VanDerWaalsContact CB-OG 3.24Å; D413-S453 WeakPolarHBondContact CB-OG 3.4Å; D413-S453 VanDerWaalsContact CG-OG 3.24Å; D413-S453 PolarHBondContact O-N 2.84Å; D413-S453 WeakPolarHBondContact OD1-CB 3.44Å; D413-S453 PolarHBondContact OD1-OG 2.95Å; S453-L455 PolarHBondContact O-N 3.32Å
454	V	83.4	Confident	90.9	Very high	70 Å²	70	42 Å²	42	42%	0.424	23%	0.227	S	C	.	.			trans	-71.7	122.9	176.9	178.2	0	0	0	0	109	M480 V482 P514	V454-M480 WeakPolarHBondContact CA-O 3.36Å; V454-V482 HydrophobicContact CG2-CG2 4.23Å; V454-P514 HydrophobicContact CB-CG 4.38Å; V454-P514 HydrophobicContact CG1-CG 4.31Å; V454-P514 VanDerWaalsContact O-CD 3.28Å; V454-P514 WeakPolarHBondContact O-CD 3.33Å
455	L	82.9	Confident	90.6	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-109.3	127.7	179.4	-52.6	175.4	0	0	0	109.9	L414 A451 S453 P479 M480 Y511	L414-L455 HydrophobicContact CD1-CD1 3.58Å; L414-L455 HydrophobicContact CD2-CD1 4.48Å; L414-L455 HydrophobicContact CG-CD1 4.4Å; A451-L455 HydrophobicContact CB-CD1 3.59Å; A451-L455 HydrophobicContact CB-CG 4.04Å; S453-L455 PolarHBondContact O-N 3.32Å; L455-P479 VanDerWaalsContact O-CA 3.3Å; L455-P479 WeakPolarHBondContact O-CA 3.4Å; L455-M480 HydrophobicContact CB-CB 4.22Å; L455-M480 HydrophobicContact CD1-CB 4.3Å; L455-M480 PolarHBondContact N-O 3.01Å; L455-M480 PolarHBondContact O-N 2.83Å; L455-Y511 HydrophobicContact CD2-CD2 3.42Å; L455-Y511 VanDerWaalsContact CD2-CD2 3.42Å; L455-Y511 HydrophobicContact CD2-CE2 3.7Å; L455-Y511 HydrophobicContact CD2-CG 4.07Å
456	Q	84.1	Confident	90.4	Very high	72 Å²	72	44 Å²	44	34%	0.336	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	153	169.2	-66.5	-179.6	-5.3	0	0	109.5	A458 S512	Q456-A458 PolarHBondContact O-N 3.35Å; Q456-A458 VanDerWaalsContact O-N 3.12Å; Q456-S512 VanDerWaalsContact C-OG 3.26Å; Q456-S512 WeakPolarHBondContact CB-OG 3.3Å; Q456-S512 PolarHBondContact N-O 2.88Å; Q456-S512 PolarHBondContact O-N 2.85Å; Q456-S512 PolarHBondContact O-OG 2.87Å
457	S	84.8	Confident	90.3	Very high	95 Å²	95	39.2 Å²	39.2	66%	0.664	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	49.5	42.1	173.7	-52.6	0	0	0	0	113.9	K459	S457-K459 PolarHBondContact O-N 2.7Å
458	A	89.9	Confident	90.2	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.008	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	124.9	-178.1	0	0	0	0	0	110.6	Q456 L477 M509 S510	Q456-A458 PolarHBondContact O-N 3.35Å; Q456-A458 VanDerWaalsContact O-N 3.12Å; A458-L477 HydrophobicContact CB-CB 4.06Å; A458-L477 PolarHBondContact O-N 3.05Å; A458-M509 HydrophobicContact CB-SD 4.41Å; A458-S510 WeakPolarHBondContact CA-O 3.47Å
459	K	93.8	Very high	90.3	Very high	74 Å²	74	36 Å²	36	32%	0.322	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	122.5	177	-179.3	-177.7	179.8	178.8	0	109.5	S457 M509 S510	S457-K459 PolarHBondContact O-N 2.7Å; K459-M509 VanDerWaalsContact C-SD 3.54Å; K459-M509 WeakPolarHBondContact O-CA 3.41Å; K459-S510 PolarHBondContact N-O 3.36Å; K459-S510 PolarHBondContact O-N 3.21Å; K459-S510 PolarHBondContact O-OG 2.89Å
460	L	94.3	Very high	90.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.6	173.2	-172.4	89.1	0	0	0	108.5	V447 V449 I462 Q474 F475 V488 I507 M509	V447-L460 HydrophobicContact CG1-CD1 4.37Å; V447-L460 HydrophobicContact CG1-CD2 4.4Å; V449-L460 HydrophobicContact CG2-CD1 4.4Å; L460-I462 HydrophobicContact CD2-CD1 4.33Å; L460-Q474 WeakPolarHBondContact O-CA 3.29Å; L460-F475 HydrophobicContact CB-CB 4.18Å; L460-F475 HydrophobicContact CD2-CB 4.36Å; L460-F475 HydrophobicContact CD2-CD2 3.97Å; L460-F475 HydrophobicContact CD2-CG 4.43Å; L460-F475 PolarHBondContact N-O 3.32Å; L460-F475 PolarHBondContact O-N 3.39Å; L460-V488 HydrophobicContact CD2-CG2 3.45Å; L460-V488 VanDerWaalsContact CD2-CG2 3.45Å; L460-I507 HydrophobicContact CD1-CG2 3.34Å; L460-I507 HydrophobicContact CG-CG2 4.05Å; L460-M509 HydrophobicContact CB-CE 4.12Å; L460-M509 HydrophobicContact CB-SD 3.9Å; L460-M509 HydrophobicContact CD1-CB 4.47Å; L460-M509 HydrophobicContact CD1-CE 3.39Å; L460-M509 HydrophobicContact CD1-SD 3.98Å; L460-M509 HydrophobicContact CG-CE 4.38Å
461	S	96.2	Very high	90.7	Very high	28 Å²	28	35.9 Å²	35.9	20%	0.196	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.9	174	-50.1	0	0	0	0	109.3	D473 V508	S461-D473 CarbonylContact C-O 3.52Å; S461-D473 WeakPolarHBondContact CA-O 3.24Å; S461-V508 PolarHBondContact N-O 2.98Å; S461-V508 PolarHBondContact O-N 2.88Å
462	I	95.5	Very high	90.9	Very high	9 Å²	9	40.3 Å²	40.3	5%	0.046	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.4	-178.3	-64.7	138.2	0	0	0	108.1	L460 V470 D473 F475 F490 I507 F530	L460-I462 HydrophobicContact CD2-CD1 4.33Å; I462-V470 HydrophobicContact CG2-CG1 4.11Å; I462-V470 HydrophobicContact CG2-CG2 4.45Å; I462-D473 PolarHBondContact N-O 2.84Å; I462-F475 HydrophobicContact CD1-CD2 3.73Å; I462-F475 HydrophobicContact CD1-CE2 3.38Å; I462-F490 HydrophobicContact CB-CE1 4.5Å; I462-F490 HydrophobicContact CB-CZ 4.38Å; I462-F490 HydrophobicContact CD1-CD1 3.32Å; I462-F490 HydrophobicContact CD1-CE1 3.31Å; I462-F490 HydrophobicContact CD1-CG 3.97Å; I462-F490 HydrophobicContact CD1-CZ 3.98Å; I462-F490 HydrophobicContact CG1-CD1 4.16Å; I462-F490 HydrophobicContact CG1-CE1 3.63Å; I462-F490 HydrophobicContact CG1-CZ 3.93Å; I462-F490 HydrophobicContact CG2-CD2 4.41Å; I462-F490 HydrophobicContact CG2-CE1 4.14Å; I462-F490 HydrophobicContact CG2-CE2 3.72Å; I462-F490 HydrophobicContact CG2-CZ 3.56Å; I462-I507 HydrophobicContact CG1-CG1 4.31Å; I462-F530 HydrophobicContact CG2-CE1 4.35Å; I462-F530 HydrophobicContact CG2-CZ 4.22Å
463	C	93.8	Very high	91.2	Very high	65 Å²	65	41 Å²	41	44%	0.439	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.6	179.3	-59.9	0	0	0	0	109	G505 D506	C463-G505 CarbonylContact O-C 3.59Å; C463-G505 VanDerWaalsContact O-CA 3.31Å; C463-G505 WeakPolarHBondContact O-CA 3.49Å; C463-D506 HydrophobicContact CB-CB 4.39Å; C463-D506 PolarHBondContact N-O 3.48Å; C463-D506 PolarHBondContact O-N 2.74Å
464	V	93.7	Very high	91.8	Very high	26 Å²	26	43.6 Å²	43.6	16%	0.158	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	158.5	172.3	-67.3	0	0	0	0	109.5	L468 V470 F530	V464-L468 HydrophobicContact CB-CB 4.03Å; V464-L468 HydrophobicContact CG2-CB 3.84Å; V464-L468 WeakPolarHBondContact CG2-O 3.34Å; V464-V470 HydrophobicContact CG1-CG1 3.88Å; V464-V470 HydrophobicContact CG2-CG1 4.12Å; V464-F530 HydrophobicContact CG1-CZ 4.05Å
465	Q	91.3	Very high	92.4	Very high	18 Å²	18	41.5 Å²	41.5	8%	0.084	23%	0.234	C	C	.	.			trans	-75.8	135	-180	-61.4	-59.3	-56.3	0	0	111.3	L468 D502 R731	Q465-L468 WeakPolarHBondContact O-CB 3.3Å; Q465-L468 WeakPolarHBondContact O-CG 3.22Å; Q465-L468 PolarHBondContact O-N 3.39Å; Q465-D502 HydrophobicContact CG-CB 4.05Å; Q465-R731 VanDerWaalsContact OE1-NH1 3.07Å; Q465-R731 VanDerWaalsContact OE1-NH2 3.13Å
466	P	90.7	Very high	92.9	Very high	63 Å²	63	47.3 Å²	47.3	41%	0.409	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	142.1	173.5	-24.8	34.2	0	0	0	112.3	V728	P466-V728 HydrophobicContact CB-CG2 4.36Å
467	P	92.3	Very high	93.1	Very high	10 Å²	10	44.7 Å²	44.7	7%	0.065	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	cis	-95.3	25.1	4.1	36.1	-28.9	0	0	0	113.5	L494 N495 Y498	P467-L494 HydrophobicContact CG-CD1 3.81Å; P467-N495 CarbonylContact O-C 3.4Å; P467-N495 WeakPolarHBondContact O-CA 3.26Å; P467-N495 WeakPolarHBondContact O-CB 3.41Å; P467-N495 PolarHBondContact O-N 3.33Å; P467-Y498 HydrophobicContact CB-CD2 4.49Å; P467-Y498 HydrophobicContact CB-CE1 4.12Å; P467-Y498 HydrophobicContact CB-CE2 3.86Å; P467-Y498 VanDerWaalsContact CD-CE2 3.49Å; P467-Y498 HydrophobicContact CG-CD1 4.41Å; P467-Y498 HydrophobicContact CG-CD2 3.71Å; P467-Y498 HydrophobicContact CG-CE1 4.23Å; P467-Y498 HydrophobicContact CG-CE2 3.51Å; P467-Y498 HydrophobicContact CG-CG 4.16Å; P467-Y498 WeakPolarHBondContact CG-O 3.47Å
468	L	94.5	Very high	93.2	Very high	13 Å²	13	46.6 Å²	46.6	7%	0.068	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	144.7	170.5	-60.6	167	0	0	0	109.5	V464 Q465 F493 L494 P500 L503 L532 L536 V537	V464-L468 HydrophobicContact CB-CB 4.03Å; V464-L468 HydrophobicContact CG2-CB 3.84Å; V464-L468 WeakPolarHBondContact CG2-O 3.34Å; Q465-L468 WeakPolarHBondContact O-CB 3.3Å; Q465-L468 WeakPolarHBondContact O-CG 3.22Å; Q465-L468 PolarHBondContact O-N 3.39Å; L468-F493 WeakPolarHBondContact CA-O 3.26Å; L468-L494 HydrophobicContact CD2-CD1 4.26Å; L468-P500 HydrophobicContact CD1-CB 4.16Å; L468-P500 HydrophobicContact CD1-CG 4.17Å; L468-P500 HydrophobicContact CD2-CG 4.29Å; L468-P500 HydrophobicContact CG-CB 4.03Å; L468-P500 HydrophobicContact CG-CG 4.05Å; L468-L503 HydrophobicContact CD1-CD2 4.21Å; L468-L532 HydrophobicContact CD1-CD1 3.83Å; L468-L536 HydrophobicContact CD2-CD2 3.94Å; L468-V537 HydrophobicContact CD2-CG1 4.09Å
469	A	94.8	Very high	93	Very high	20 Å²	20	51.5 Å²	51.5	17%	0.165	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	164.6	172.4	0	0	0	0	0	109.8	A492 F493 N495	A469-A492 WeakPolarHBondContact O-CA 3.43Å; A469-F493 HydrophobicContact CB-CD2 4.44Å; A469-F493 HydrophobicContact CB-CE2 3.84Å; A469-F493 HydrophobicContact CB-CZ 4Å; A469-F493 PolarHBondContact N-O 2.99Å; A469-F493 PolarHBondContact O-N 3.37Å; A469-N495 HydrophobicContact CB-CB 3.61Å
470	V	96	Very high	92.5	Very high	24 Å²	24	48.3 Å²	48.3	15%	0.145	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	152.9	175.1	-65.8	0	0	0	0	109.6	I462 V464 Q472 D473 F490 S491 A492	I462-V470 HydrophobicContact CG2-CG1 4.11Å; I462-V470 HydrophobicContact CG2-CG2 4.45Å; V464-V470 HydrophobicContact CG1-CG1 3.88Å; V464-V470 HydrophobicContact CG2-CG1 4.12Å; V470-Q472 WeakPolarHBondContact CG2-O 3.5Å; V470-Q472 PolarHBondContact O-N 3.44Å; V470-D473 HydrophobicContact CG2-CB 3.92Å; V470-F490 HydrophobicContact CB-CD2 3.94Å; V470-F490 HydrophobicContact CG1-CD2 3.66Å; V470-F490 HydrophobicContact CG1-CE2 3.78Å; V470-S491 CarbonylContact C-O 3.6Å; V470-S491 VanDerWaalsContact CA-O 3.28Å; V470-S491 WeakPolarHBondContact CA-O 3.06Å; V470-A492 HydrophobicContact CG1-CB 4.12Å
471	T	94.9	Very high	92	Very high	71 Å²	71	50.1 Å²	50.1	44%	0.436	29%	0.292	S	S	.	.	S	Bend	trans	-61.1	-33.4	176.6	52.2	0	0	0	0	112.6	Q429 S491 F493	Q429-T471 HydrophobicContact CB-CG2 3.92Å; T471-S491 PolarHBondContact N-O 3.05Å; T471-S491 PolarHBondContact OG1-N 2.87Å; T471-S491 VanDerWaalsContact OG1-N 3.09Å; T471-F493 HydrophobicContact CG2-CD1 4.48Å; T471-F493 HydrophobicContact CG2-CE1 3.89Å
472	Q	93.6	Very high	91.4	Very high	93 Å²	93	53.8 Å²	53.8	44%	0.435	31%	0.314	S	S	.	.			trans	-148.5	122.9	177.1	-176.2	171.5	-0.6	0	0	109.3	V470 Q474 F475	V470-Q472 WeakPolarHBondContact CG2-O 3.5Å; V470-Q472 PolarHBondContact O-N 3.44Å; Q472-Q474 WeakPolarHBondContact CG-O 3.33Å; Q472-Q474 PolarHBondContact NE2-O 2.83Å; Q472-F475 HydrophobicContact CB-CE1 4.41Å; Q472-F475 HydrophobicContact CB-CE2 4.14Å; Q472-F475 HydrophobicContact CB-CZ 3.75Å; Q472-F475 HydrophobicContact CG-CD2 4.45Å; Q472-F475 HydrophobicContact CG-CE1 3.99Å; Q472-F475 HydrophobicContact CG-CE2 3.91Å; Q472-F475 HydrophobicContact CG-CZ 3.67Å
473	D	93	Very high	90.9	Very high	82 Å²	82	55.5 Å²	55.5	44%	0.439	33%	0.334	S	S	.	.	S	Bend	trans	-92.8	-20.5	-175.9	68.8	-33.2	0	0	0	112.9	S461 I462 V470	S461-D473 CarbonylContact C-O 3.52Å; S461-D473 WeakPolarHBondContact CA-O 3.24Å; I462-D473 PolarHBondContact N-O 2.84Å; V470-D473 HydrophobicContact CG2-CB 3.92Å
474	Q	95	Very high	90.6	Very high	81 Å²	81	54.3 Å²	54.3	38%	0.379	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	135.5	-175	-68.1	172	48.6	0	0	112.6	L460 Q472	L460-Q474 WeakPolarHBondContact O-CA 3.29Å; Q472-Q474 WeakPolarHBondContact CG-O 3.33Å; Q472-Q474 PolarHBondContact NE2-O 2.83Å
475	F	94.8	Very high	90.4	Very high	25 Å²	25	56.3 Å²	56.3	11%	0.11	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.9	174.2	-60	-97.9	0	0	0	109.6	L460 I462 Q472 V488 F490	L460-F475 HydrophobicContact CB-CB 4.18Å; L460-F475 HydrophobicContact CD2-CB 4.36Å; L460-F475 HydrophobicContact CD2-CD2 3.97Å; L460-F475 HydrophobicContact CD2-CG 4.43Å; L460-F475 PolarHBondContact N-O 3.32Å; L460-F475 PolarHBondContact O-N 3.39Å; I462-F475 HydrophobicContact CD1-CD2 3.73Å; I462-F475 HydrophobicContact CD1-CE2 3.38Å; Q472-F475 HydrophobicContact CB-CE1 4.41Å; Q472-F475 HydrophobicContact CB-CE2 4.14Å; Q472-F475 HydrophobicContact CB-CZ 3.75Å; Q472-F475 HydrophobicContact CG-CD2 4.45Å; Q472-F475 HydrophobicContact CG-CE1 3.99Å; Q472-F475 HydrophobicContact CG-CE2 3.91Å; Q472-F475 HydrophobicContact CG-CZ 3.67Å; F475-V488 HydrophobicContact CB-CG1 4.48Å; F475-V488 HydrophobicContact CD1-CB 4.06Å; F475-V488 HydrophobicContact CD1-CG1 3.99Å; F475-V488 HydrophobicContact CD2-CG2 4.42Å; F475-V488 HydrophobicContact CE1-CB 4.13Å; F475-V488 HydrophobicContact CE1-CG1 4.5Å; F475-V488 HydrophobicContact CG-CB 4.34Å; F475-V488 HydrophobicContact CG-CG1 4.27Å; F475-V488 HydrophobicContact CG-CG2 4.42Å; F475-V488 HydrophobicContact CZ-CB 4.49Å; F475-F490 HydrophobicContact CE2-CB 4.44Å; F475-F490 HydrophobicContact CE2-CD1 4.3Å; F475-F490 HydrophobicContact CZ-CB 4.22Å
476	V	93.3	Very high	90.4	Very high	124 Å²	124	59.4 Å²	59.4	75%	0.752	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	120	171.3	-178.1	0	0	0	0	107.7
477	L	89.1	Confident	90.5	Very high	16 Å²	16	62.1 Å²	62.1	8%	0.084	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	134.1	179.4	-58.3	-179.9	0	0	0	109.4	V449 A458 M480 V488 M509	V449-L477 HydrophobicContact CG1-CD1 4.25Å; V449-L477 HydrophobicContact CG2-CD1 4.39Å; A458-L477 HydrophobicContact CB-CB 4.06Å; A458-L477 PolarHBondContact O-N 3.05Å; L477-M480 HydrophobicContact CD1-SD 4.34Å; L477-V488 HydrophobicContact CD2-CG1 4.13Å; L477-M509 HydrophobicContact CD1-CE 3.63Å; L477-M509 HydrophobicContact CD1-SD 4.15Å
478	E	87.5	Confident	90.6	Very high	135 Å²	135	62.7 Å²	62.7	63%	0.631	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-59.8	156.2	170.1	-65.8	174.8	151.7	0	0	111	M480 K486	E478-M480 WeakPolarHBondContact O-CG 3.49Å; E478-M480 PolarHBondContact O-N 2.75Å; E478-K486 IonicContact OE2-NZ 2.68Å
479	P	84.4	Confident	90.6	Very high	105 Å²	105	64.6 Å²	64.6	68%	0.682	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-50.9	127.6	177.7	-26.8	34.7	0	0	0	112.3	L455	L455-P479 VanDerWaalsContact O-CA 3.3Å; L455-P479 WeakPolarHBondContact O-CA 3.4Å
480	M	84.3	Confident	90.6	Very high	6 Å²	6	63.8 Å²	63.8	3%	0.03	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-107.4	128.9	-174	-76	-174	72.5	0	0	110.1	V449 A451 V454 L455 L477 E478 S484 K486	V449-M480 HydrophobicContact CG1-SD 4.37Å; A451-M480 HydrophobicContact CB-CB 4.04Å; A451-M480 HydrophobicContact CB-CE 4.05Å; V454-M480 WeakPolarHBondContact CA-O 3.36Å; L455-M480 HydrophobicContact CB-CB 4.22Å; L455-M480 HydrophobicContact CD1-CB 4.3Å; L455-M480 PolarHBondContact N-O 3.01Å; L455-M480 PolarHBondContact O-N 2.83Å; L477-M480 HydrophobicContact CD1-SD 4.34Å; E478-M480 WeakPolarHBondContact O-CG 3.49Å; E478-M480 PolarHBondContact O-N 2.75Å; M480-S484 VanDerWaalsContact CB-OG 3.28Å; M480-S484 WeakPolarHBondContact CB-OG 3.45Å; M480-S484 VanDerWaalsContact CE-O 3.26Å; M480-S484 WeakPolarHBondContact CE-O 3.43Å; M480-S484 VanDerWaalsContact CE-OG 3.24Å; M480-S484 WeakPolarHBondContact CE-OG 3.1Å; M480-K486 HydrophobicContact CE-CB 4.04Å; M480-K486 HydrophobicContact CE-CG 3.73Å; M480-K486 HydrophobicContact CG-CG 4.37Å; M480-K486 HydrophobicContact SD-CB 4.14Å; M480-K486 HydrophobicContact SD-CG 3.75Å
481	G	82.6	Confident	90.6	Very high	38 Å²	38	63 Å²	63	39%	0.392	37%	0.368	S	S	.	.			trans	-82.3	170.1	172.4	0	0	0	0	0	112.7	G483 S484	G481-G483 PolarHBondContact O-N 2.83Å; G481-S484 PolarHBondContact N-OG 3.36Å; G481-S484 VanDerWaalsContact O-CB 3.29Å; G481-S484 WeakPolarHBondContact O-CB 3.39Å; G481-S484 PolarHBondContact O-N 2.81Å; G481-S484 VanDerWaalsContact O-N 3.11Å; G481-S484 PolarHBondContact O-OG 3.4Å
482	V	85.3	Confident	90.7	Very high	106 Å²	106	59.7 Å²	59.7	64%	0.642	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	128.7	178.3	-178.2	0	0	0	0	110.8	V454 S484	V454-V482 HydrophobicContact CG2-CG2 4.23Å; V482-S484 PolarHBondContact O-N 3Å
483	G	83.5	Confident	90.8	Very high	45 Å²	45	55.4 Å²	55.4	46%	0.464	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	-5.4	-179.9	0	0	0	0	0	114.8	A451 G481	A451-G483 VanDerWaalsContact O-CA 3.28Å; A451-G483 WeakPolarHBondContact O-CA 3.35Å; A451-G483 PolarHBondContact O-N 3.15Å; G481-G483 PolarHBondContact O-N 2.83Å
484	S	87.8	Confident	90.8	Very high	40 Å²	40	51.6 Å²	51.6	28%	0.28	31%	0.307	S	S	.	.			trans	-67.8	145.2	177.7	67.3	0	0	0	0	111.2	A451 M480 G481 V482	A451-S484 PolarHBondContact N-O 3.45Å; M480-S484 VanDerWaalsContact CB-OG 3.28Å; M480-S484 WeakPolarHBondContact CB-OG 3.45Å; M480-S484 VanDerWaalsContact CE-O 3.26Å; M480-S484 WeakPolarHBondContact CE-O 3.43Å; M480-S484 VanDerWaalsContact CE-OG 3.24Å; M480-S484 WeakPolarHBondContact CE-OG 3.1Å; G481-S484 PolarHBondContact N-OG 3.36Å; G481-S484 VanDerWaalsContact O-CB 3.29Å; G481-S484 WeakPolarHBondContact O-CB 3.39Å; G481-S484 PolarHBondContact O-N 2.81Å; G481-S484 VanDerWaalsContact O-N 3.11Å; G481-S484 PolarHBondContact O-OG 3.4Å; V482-S484 PolarHBondContact O-N 3Å
485	T	90.1	Very high	90.7	Very high	67 Å²	67	51 Å²	51	41%	0.411	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	132	-179.2	-46.9	0	0	0	0	108.8	K448 V449 K450	K448-T485 HydrophobicContact CD-CG2 4.28Å; K448-T485 HydrophobicContact CG-CG2 3.76Å; V449-T485 CarbonylContact O-C 3.56Å; V449-T485 VanDerWaalsContact O-CA 3.26Å; V449-T485 WeakPolarHBondContact O-CA 3.37Å; V449-T485 WeakPolarHBondContact O-CG2 3.39Å; K450-T485 HydrophobicContact CB-CG2 4.27Å
486	K	90.4	Very high	90.4	Very high	84 Å²	84	50.3 Å²	50.3	37%	0.365	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.9	174.2	-73.6	-79.4	-171.4	165.9	0	108.3	V449 E478 M480	V449-K486 PolarHBondContact N-O 2.68Å; V449-K486 PolarHBondContact O-N 2.91Å; E478-K486 IonicContact OE2-NZ 2.68Å; M480-K486 HydrophobicContact CE-CB 4.04Å; M480-K486 HydrophobicContact CE-CG 3.73Å; M480-K486 HydrophobicContact CG-CG 4.37Å; M480-K486 HydrophobicContact SD-CB 4.14Å; M480-K486 HydrophobicContact SD-CG 3.75Å
487	E	92.6	Very high	90.1	Very high	119 Å²	119	51.6 Å²	51.6	56%	0.556	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.5	176	-71.8	179.6	-177.1	0	0	108.3	V447 K448	V447-E487 WeakPolarHBondContact O-CA 3.46Å; K448-E487 HydrophobicContact CB-CG 4.11Å; K448-E487 HydrophobicContact CD-CG 4.4Å; K448-E487 VanDerWaalsContact CD-OE1 3.3Å; K448-E487 WeakPolarHBondContact CD-OE1 3.33Å; K448-E487 WeakPolarHBondContact CE-OE1 3.43Å; K448-E487 HydrophobicContact CG-CG 3.87Å; K448-E487 IonicContact NZ-OE1 3.82Å; K448-E487 PolarHBondContact NZ-OE1 3.33Å
488	V	94.3	Very high	90.2	Very high	22 Å²	22	52.4 Å²	52.4	13%	0.133	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.4	172.4	-59.8	0	0	0	0	108.9	V447 L460 F475 L477	V447-V488 HydrophobicContact CB-CG2 3.86Å; V447-V488 PolarHBondContact N-O 2.97Å; V447-V488 PolarHBondContact O-N 3.14Å; L460-V488 HydrophobicContact CD2-CG2 3.45Å; L460-V488 VanDerWaalsContact CD2-CG2 3.45Å; F475-V488 HydrophobicContact CB-CG1 4.48Å; F475-V488 HydrophobicContact CD1-CB 4.06Å; F475-V488 HydrophobicContact CD1-CG1 3.99Å; F475-V488 HydrophobicContact CD2-CG2 4.42Å; F475-V488 HydrophobicContact CE1-CB 4.13Å; F475-V488 HydrophobicContact CE1-CG1 4.5Å; F475-V488 HydrophobicContact CG-CB 4.34Å; F475-V488 HydrophobicContact CG-CG1 4.27Å; F475-V488 HydrophobicContact CG-CG2 4.42Å; F475-V488 HydrophobicContact CZ-CB 4.49Å; L477-V488 HydrophobicContact CD2-CG1 4.13Å
489	A	94.8	Very high	90.4	Very high	53 Å²	53	46.5 Å²	46.5	44%	0.438	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	144.4	178.6	0	0	0	0	0	110	T444 V445 Q446	T444-A489 HydrophobicContact CG2-CB 4.2Å; V445-A489 WeakPolarHBondContact O-CA 3.33Å; Q446-A489 HydrophobicContact CG-CB 4.24Å
490	F	95.7	Very high	90.8	Very high	3 Å²	3	41.5 Å²	41.5	1%	0.013	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	156.4	173.1	59.6	-90	0	0	0	108.9	T444 V445 V447 I462 V470 F475 F530	T444-F490 CarbonylContact C-O 3.56Å; T444-F490 WeakPolarHBondContact CA-O 3.49Å; V445-F490 HydrophobicContact CB-CD2 4.28Å; V445-F490 HydrophobicContact CB-CE1 4.13Å; V445-F490 HydrophobicContact CB-CE2 3.74Å; V445-F490 HydrophobicContact CB-CZ 3.66Å; V445-F490 HydrophobicContact CG1-CE1 4.17Å; V445-F490 HydrophobicContact CG1-CE2 4.3Å; V445-F490 HydrophobicContact CG1-CZ 3.74Å; V445-F490 HydrophobicContact CG2-CE2 3.96Å; V445-F490 HydrophobicContact CG2-CZ 4.25Å; V445-F490 PolarHBondContact N-O 3.47Å; V445-F490 PolarHBondContact O-N 2.93Å; V445-F490 VanDerWaalsContact O-N 3.13Å; V447-F490 HydrophobicContact CG2-CD1 4.48Å; V447-F490 HydrophobicContact CG2-CE1 3.64Å; V447-F490 HydrophobicContact CG2-CZ 4.45Å; I462-F490 HydrophobicContact CB-CE1 4.5Å; I462-F490 HydrophobicContact CB-CZ 4.38Å; I462-F490 HydrophobicContact CD1-CD1 3.32Å; I462-F490 HydrophobicContact CD1-CE1 3.31Å; I462-F490 HydrophobicContact CD1-CG 3.97Å; I462-F490 HydrophobicContact CD1-CZ 3.98Å; I462-F490 HydrophobicContact CG1-CD1 4.16Å; I462-F490 HydrophobicContact CG1-CE1 3.63Å; I462-F490 HydrophobicContact CG1-CZ 3.93Å; I462-F490 HydrophobicContact CG2-CD2 4.41Å; I462-F490 HydrophobicContact CG2-CE1 4.14Å; I462-F490 HydrophobicContact CG2-CE2 3.72Å; I462-F490 HydrophobicContact CG2-CZ 3.56Å; V470-F490 HydrophobicContact CB-CD2 3.94Å; V470-F490 HydrophobicContact CG1-CD2 3.66Å; V470-F490 HydrophobicContact CG1-CE2 3.78Å; F475-F490 HydrophobicContact CE2-CB 4.44Å; F475-F490 HydrophobicContact CE2-CD1 4.3Å; F475-F490 HydrophobicContact CZ-CB 4.22Å; F490-F530 HydrophobicContact CE2-CE2 4.45Å; F490-F530 AromaticContact CE2-CZ 3.99Å; F490-F530 HydrophobicContact CE2-CZ 3.99Å; F490-F530 HydrophobicContact CZ-CE1 4.11Å; F490-F530 HydrophobicContact CZ-CE2 4.43Å; F490-F530 AromaticContact CZ-CZ 3.78Å; F490-F530 HydrophobicContact CZ-CZ 3.78Å
491	S	96	Very high	91.2	Very high	9 Å²	9	41.3 Å²	41.3	6%	0.063	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	131.8	174.1	-64	0	0	0	0	110.1	D425 V443 T444 V470 T471	D425-S491 WeakPolarHBondContact OD2-CB 3.4Å; D425-S491 PolarHBondContact OD2-OG 3.32Å; V443-S491 CarbonylContact O-C 3.53Å; V443-S491 WeakPolarHBondContact O-CA 3.32Å; T444-S491 PolarHBondContact OG1-OG 3.12Å; V470-S491 CarbonylContact C-O 3.6Å; V470-S491 VanDerWaalsContact CA-O 3.28Å; V470-S491 WeakPolarHBondContact CA-O 3.06Å; T471-S491 PolarHBondContact N-O 3.05Å; T471-S491 PolarHBondContact OG1-N 2.87Å; T471-S491 VanDerWaalsContact OG1-N 3.09Å
492	A	96.3	Very high	91.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	142	172.4	0	0	0	0	0	110.2	S442 V443 A469 V470 L532 L536	S442-A492 CarbonylContact C-O 3.59Å; S442-A492 VanDerWaalsContact CA-O 3.3Å; S442-A492 WeakPolarHBondContact CA-O 3.24Å; V443-A492 HydrophobicContact CG1-CB 4.31Å; V443-A492 PolarHBondContact N-O 3.42Å; V443-A492 PolarHBondContact O-N 3.05Å; A469-A492 WeakPolarHBondContact O-CA 3.43Å; V470-A492 HydrophobicContact CG1-CB 4.12Å; A492-L532 HydrophobicContact CB-CD1 3.97Å; A492-L532 HydrophobicContact CB-CD2 3.77Å; A492-L536 WeakPolarHBondContact O-CD1 3.49Å
493	F	95.1	Very high	92	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.013	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	168.4	-178.7	55	-92	0	0	0	111.3	A430 L431 L468 A469 T471 N495	A430-F493 HydrophobicContact CB-CB 3.75Å; A430-F493 HydrophobicContact CB-CD2 3.89Å; A430-F493 HydrophobicContact CB-CG 3.86Å; L431-F493 HydrophobicContact CB-CE2 3.99Å; L431-F493 HydrophobicContact CB-CZ 4.44Å; L431-F493 HydrophobicContact CD1-CE2 3.95Å; L431-F493 HydrophobicContact CD1-CZ 3.93Å; L431-F493 HydrophobicContact CG-CE2 3.7Å; L431-F493 HydrophobicContact CG-CZ 3.67Å; L468-F493 WeakPolarHBondContact CA-O 3.26Å; A469-F493 HydrophobicContact CB-CD2 4.44Å; A469-F493 HydrophobicContact CB-CE2 3.84Å; A469-F493 HydrophobicContact CB-CZ 4Å; A469-F493 PolarHBondContact N-O 2.99Å; A469-F493 PolarHBondContact O-N 3.37Å; T471-F493 HydrophobicContact CG2-CD1 4.48Å; T471-F493 HydrophobicContact CG2-CE1 3.89Å; F493-N495 HydrophobicContact CD2-CB 4.39Å; F493-N495 HydrophobicContact CE2-CB 4.11Å
494	L	94.3	Very high	92.4	Very high	2 Å²	2	35 Å²	35	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	128.1	175.9	-171.7	68.1	0	0	0	110.6	I435 V440 P467 L468 V537 L586	I435-L494 HydrophobicContact CD1-CD2 4.08Å; V440-L494 HydrophobicContact CG1-CB 4.01Å; P467-L494 HydrophobicContact CG-CD1 3.81Å; L468-L494 HydrophobicContact CD2-CD1 4.26Å; L494-V537 HydrophobicContact CD1-CG1 4.1Å; L494-L586 HydrophobicContact CD2-CB 3.97Å; L494-L586 HydrophobicContact CD2-CD1 3.9Å; L494-L586 HydrophobicContact CD2-CG 4.5Å
495	N	92.4	Very high	92.7	Very high	69 Å²	69	33.1 Å²	33.1	37%	0.369	18%	0.178	S	C	.	.			trans	-124.6	40.7	-179.2	-168.1	41.1	0	0	0	112.2	P467 A469 F493	P467-N495 CarbonylContact O-C 3.4Å; P467-N495 WeakPolarHBondContact O-CA 3.26Å; P467-N495 WeakPolarHBondContact O-CB 3.41Å; P467-N495 PolarHBondContact O-N 3.33Å; A469-N495 HydrophobicContact CB-CB 3.61Å; F493-N495 HydrophobicContact CD2-CB 4.39Å; F493-N495 HydrophobicContact CE2-CB 4.11Å
496	G	88.3	Confident	92.8	Very high	11 Å²	11	31 Å²	31	11%	0.113	16%	0.164	C	C	.	.	S	Bend	trans	-168.7	163.4	177.2	0	0	0	0	0	112.6	Y498	G496-Y498 PolarHBondContact O-N 2.85Å
497	Q	88	Confident	93	Very high	151 Å²	151	27 Å²	27	71%	0.706	15%	0.147	S	C	*	.	S	Bend	trans	-90	31.8	-176.7	-61.5	-177.8	0.2	0	0	112.9	S587	Q497-S587 WeakPolarHBondContact O-CB 3.45Å
498	Y	90.2	Very high	93.1	Very high	32 Å²	32	23.3 Å²	23.3	13%	0.125	13%	0.132	C	C	.	.	S	Bend	trans	-149.8	155.7	177.2	57.8	-87.8	0	0	0	110.2	P467 G496 Q725 V728	P467-Y498 HydrophobicContact CB-CD2 4.49Å; P467-Y498 HydrophobicContact CB-CE1 4.12Å; P467-Y498 HydrophobicContact CB-CE2 3.86Å; P467-Y498 VanDerWaalsContact CD-CE2 3.49Å; P467-Y498 HydrophobicContact CG-CD1 4.41Å; P467-Y498 HydrophobicContact CG-CD2 3.71Å; P467-Y498 HydrophobicContact CG-CE1 4.23Å; P467-Y498 HydrophobicContact CG-CE2 3.51Å; P467-Y498 HydrophobicContact CG-CG 4.16Å; P467-Y498 WeakPolarHBondContact CG-O 3.47Å; G496-Y498 PolarHBondContact O-N 2.85Å; Y498-Q725 HydrophobicContact CD1-CB 4.22Å; Y498-Q725 HydrophobicContact CD1-CG 3.77Å; Y498-Q725 HydrophobicContact CD2-CG 4.29Å; Y498-Q725 HydrophobicContact CE1-CB 4.15Å; Y498-Q725 HydrophobicContact CE1-CG 4.21Å; Y498-Q725 HydrophobicContact CG-CG 3.82Å; Y498-V728 HydrophobicContact CD2-CB 4.29Å; Y498-V728 HydrophobicContact CD2-CG1 4.07Å; Y498-V728 HydrophobicContact CE2-CB 3.86Å; Y498-V728 HydrophobicContact CE2-CG1 3.93Å; Y498-V728 HydrophobicContact CE2-CG2 3.91Å
499	P	91.4	Very high	93	Very high	11 Å²	11	22.3 Å²	22.3	7%	0.071	13%	0.126	C	C	.	.			trans	-76.5	148.2	-178.8	28.2	-27.9	0	0	0	111.2	F585 S587 D611 L614 V728	P499-F585 HydrophobicContact CB-CD1 3.76Å; P499-F585 HydrophobicContact CB-CE1 4.02Å; P499-F585 HydrophobicContact CB-CG 4.23Å; P499-S587 WeakPolarHBondContact CD-OG 3.4Å; P499-D611 WeakPolarHBondContact CG-OD1 3.35Å; P499-L614 HydrophobicContact CB-CD1 4.42Å; P499-V728 WeakPolarHBondContact O-CG1 3.38Å
500	P	93.6	Very high	92.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.12	C	C	.	.			trans	-69.7	155.7	174.4	29.5	-34.3	0	0	0	111.6	L468 D502 L503 V537 L614	L468-P500 HydrophobicContact CD1-CB 4.16Å; L468-P500 HydrophobicContact CD1-CG 4.17Å; L468-P500 HydrophobicContact CD2-CG 4.29Å; L468-P500 HydrophobicContact CG-CB 4.03Å; L468-P500 HydrophobicContact CG-CG 4.05Å; P500-D502 VanDerWaalsContact C-N 3.33Å; P500-L503 HydrophobicContact CG-CD2 3.78Å; P500-V537 HydrophobicContact CG-CG1 4.07Å; P500-L614 HydrophobicContact CG-CD1 4.46Å; P500-L614 WeakPolarHBondContact O-CD1 3.29Å
501	A	92	Very high	92.6	Very high	2 Å²	2	22.7 Å²	22.7	2%	0.017	12%	0.123	C	C	.	.	S	Bend	trans	-73.5	-26.1	174.3	0	0	0	0	0	113.1	W613 V728 R731 S732	A501-W613 PolarHBondContact O-NE1 3.49Å; A501-V728 HydrophobicContact CB-CG1 4.03Å; A501-R731 HydrophobicContact CB-CB 3.79Å; A501-S732 VanDerWaalsContact CA-OG 3.31Å; A501-S732 WeakPolarHBondContact CA-OG 3.49Å
502	D	91.8	Very high	92.3	Very high	17 Å²	17	23 Å²	23	9%	0.091	13%	0.125	C	C	.	.			trans	-149.3	153.8	174	-153.8	-14.3	0	0	0	110.9	Q465 P500 T504 K617	Q465-D502 HydrophobicContact CG-CB 4.05Å; P500-D502 VanDerWaalsContact C-N 3.33Å; D502-T504 PolarHBondContact OD2-OG1 3.23Å; D502-K617 IonicContact OD1-NZ 2.76Å; D502-K617 PolarHBondContact OD1-NZ 3.47Å; D502-K617 IonicContact OD2-NZ 3.62Å; D502-K617 PolarHBondContact OD2-NZ 3.42Å
503	L	93.5	Very high	91.8	Very high	7 Å²	7	23.3 Å²	23.3	4%	0.037	13%	0.128	C	C	.	.			trans	-99.1	17.9	176.3	-66.1	175	0	0	0	112.1	L468 P500 L532 L534 V537 L614	L468-L503 HydrophobicContact CD1-CD2 4.21Å; P500-L503 HydrophobicContact CG-CD2 3.78Å; L503-L532 HydrophobicContact CB-CB 4.3Å; L503-L532 VanDerWaalsContact O-CB 3.31Å; L503-L532 WeakPolarHBondContact O-CB 3.24Å; L503-L532 PolarHBondContact O-N 3.34Å; L503-L534 HydrophobicContact CD1-CB 4.3Å; L503-L534 HydrophobicContact CD1-CD1 3.89Å; L503-V537 HydrophobicContact CD1-CG2 4.3Å; L503-V537 HydrophobicContact CD2-CG1 3.97Å; L503-V537 HydrophobicContact CD2-CG2 3.98Å; L503-L614 HydrophobicContact CG-CD2 4.27Å
504	T	92.3	Very high	91.3	Very high	33 Å²	33	25.4 Å²	25.4	20%	0.202	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	141.1	175.5	57.6	0	0	0	0	111.6	D502 F530	D502-T504 PolarHBondContact OD2-OG1 3.23Å; T504-F530 WeakPolarHBondContact CA-O 3.34Å
505	G	92.9	Very high	90.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	148.8	167.5	0	0	0	0	0	111.8	C463 R529 F530	C463-G505 CarbonylContact O-C 3.59Å; C463-G505 VanDerWaalsContact O-CA 3.31Å; C463-G505 WeakPolarHBondContact O-CA 3.49Å; G505-R529 WeakPolarHBondContact O-CA 3.28Å; G505-F530 VanDerWaalsContact C-CE1 3.46Å; G505-F530 PolarHBondContact N-O 3.44Å; G505-F530 VanDerWaalsContact O-CD1 3.28Å; G505-F530 WeakPolarHBondContact O-CD1 3.46Å; G505-F530 PolarHBondContact O-N 3.44Å
506	D	93.6	Very high	90.1	Very high	22 Å²	22	34.5 Å²	34.5	12%	0.118	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	138.4	174.4	-69.9	-68.4	0	0	0	109.6	C463 Q527 R529	C463-D506 HydrophobicContact CB-CB 4.39Å; C463-D506 PolarHBondContact N-O 3.48Å; C463-D506 PolarHBondContact O-N 2.74Å; D506-Q527 VanDerWaalsContact CG-NE2 3.29Å; D506-Q527 PolarHBondContact OD1-NE2 3.37Å; D506-R529 WeakPolarHBondContact OD1-CD 3.49Å; D506-R529 WeakPolarHBondContact OD1-CG 3.5Å; D506-R529 IonicContact OD1-NE 2.75Å; D506-R529 PolarHBondContact OD1-NE 2.91Å
507	I	94.1	Very high	89.7	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	118.1	170.3	-66.3	160.5	0	0	0	106.7	V416 A418 V447 L460 I462 Q527 S528 F530	V416-I507 HydrophobicContact CG1-CG2 3.97Å; A418-I507 HydrophobicContact CB-CD1 3.5Å; A418-I507 VanDerWaalsContact CB-CD1 3.5Å; V447-I507 HydrophobicContact CB-CD1 4.44Å; V447-I507 HydrophobicContact CG1-CD1 4.07Å; V447-I507 HydrophobicContact CG1-CG2 4.4Å; V447-I507 HydrophobicContact CG2-CD1 3.47Å; V447-I507 VanDerWaalsContact CG2-CD1 3.47Å; V447-I507 HydrophobicContact CG2-CG1 4.39Å; L460-I507 HydrophobicContact CD1-CG2 3.34Å; L460-I507 HydrophobicContact CG-CG2 4.05Å; I462-I507 HydrophobicContact CG1-CG1 4.31Å; I507-Q527 CarbonylContact O-C 3.57Å; I507-Q527 VanDerWaalsContact O-CA 3.32Å; I507-Q527 WeakPolarHBondContact O-CA 3.29Å; I507-S528 PolarHBondContact N-O 2.86Å; I507-S528 PolarHBondContact O-N 2.79Å; I507-F530 HydrophobicContact CD1-CD1 3.63Å; I507-F530 HydrophobicContact CD1-CE1 3.94Å; I507-F530 HydrophobicContact CG1-CD1 3.79Å; I507-F530 HydrophobicContact CG1-CE1 3.68Å
508	V	94.3	Very high	89.4	Confident	41 Å²	41	37.1 Å²	37.1	25%	0.248	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115	179.3	-177	0	0	0	0	108.2	S461 V525 Q527	S461-V508 PolarHBondContact N-O 2.98Å; S461-V508 PolarHBondContact O-N 2.88Å; V508-V525 HydrophobicContact CG1-CG1 3.51Å; V508-Q527 HydrophobicContact CG2-CG 4.32Å
509	M	91.7	Very high	89.1	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	119.1	170.6	-173.4	77.1	77.8	0	0	109.4	L414 V416 V449 A458 K459 L460 L477 Y511 V525 L526	L414-M509 HydrophobicContact CD2-CB 4.08Å; L414-M509 HydrophobicContact CD2-CE 4.16Å; L414-M509 HydrophobicContact CD2-CG 3.58Å; V416-M509 HydrophobicContact CG2-CE 4.3Å; V449-M509 HydrophobicContact CB-CE 4.22Å; V449-M509 HydrophobicContact CG1-CE 3.52Å; V449-M509 HydrophobicContact CG2-CE 3.61Å; A458-M509 HydrophobicContact CB-SD 4.41Å; K459-M509 VanDerWaalsContact C-SD 3.54Å; K459-M509 WeakPolarHBondContact O-CA 3.41Å; L460-M509 HydrophobicContact CB-CE 4.12Å; L460-M509 HydrophobicContact CB-SD 3.9Å; L460-M509 HydrophobicContact CD1-CB 4.47Å; L460-M509 HydrophobicContact CD1-CE 3.39Å; L460-M509 HydrophobicContact CD1-SD 3.98Å; L460-M509 HydrophobicContact CG-CE 4.38Å; L477-M509 HydrophobicContact CD1-CE 3.63Å; L477-M509 HydrophobicContact CD1-SD 4.15Å; M509-Y511 HydrophobicContact CG-CD1 3.98Å; M509-V525 CarbonylContact O-C 3.6Å; M509-V525 VanDerWaalsContact O-CA 3.26Å; M509-V525 WeakPolarHBondContact O-CA 3.16Å; M509-L526 HydrophobicContact CB-CB 4.48Å; M509-L526 PolarHBondContact N-O 2.7Å; M509-L526 PolarHBondContact O-N 2.89Å
510	S	92.6	Very high	88.5	Confident	45 Å²	45	48.3 Å²	48.3	32%	0.315	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.7	166.6	58.2	0	0	0	0	109.7	A458 K459 R524	A458-S510 WeakPolarHBondContact CA-O 3.47Å; K459-S510 PolarHBondContact N-O 3.36Å; K459-S510 PolarHBondContact O-N 3.21Å; K459-S510 PolarHBondContact O-OG 2.89Å; S510-R524 WeakPolarHBondContact CA-O 3.3Å
511	Y	90.4	Very high	87.9	Confident	20 Å²	20	48.7 Å²	48.7	8%	0.078	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	158.8	-179.2	61.2	-85.8	0	0	0	111.2	D413 L414 L455 M509 A513 P523 R524 L526	D413-Y511 HydrophobicContact CB-CE2 4.1Å; L414-Y511 HydrophobicContact CB-CE1 4.39Å; L414-Y511 HydrophobicContact CD2-CD1 4.07Å; L414-Y511 HydrophobicContact CD2-CE1 3.98Å; L455-Y511 HydrophobicContact CD2-CD2 3.42Å; L455-Y511 VanDerWaalsContact CD2-CD2 3.42Å; L455-Y511 HydrophobicContact CD2-CE2 3.7Å; L455-Y511 HydrophobicContact CD2-CG 4.07Å; M509-Y511 HydrophobicContact CG-CD1 3.98Å; Y511-A513 HydrophobicContact CD2-CB 4.47Å; Y511-A513 HydrophobicContact CE2-CB 4.29Å; Y511-P523 WeakPolarHBondContact O-CA 3.44Å; Y511-R524 HydrophobicContact CD1-CB 4.45Å; Y511-R524 HydrophobicContact CD2-CB 4.18Å; Y511-R524 HydrophobicContact CE1-CB 3.95Å; Y511-R524 HydrophobicContact CE2-CB 3.68Å; Y511-R524 HydrophobicContact CE2-CG 4.33Å; Y511-R524 PolarHBondContact N-O 2.87Å; Y511-R524 PolarHBondContact O-N 2.81Å; Y511-L526 HydrophobicContact CE1-CB 4.31Å
512	S	89.3	Confident	87.7	Confident	15 Å²	15	51.2 Å²	51.2	11%	0.105	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	120.2	172.1	56.4	0	0	0	0	110.2	Q456 P514 V522	Q456-S512 VanDerWaalsContact C-OG 3.26Å; Q456-S512 WeakPolarHBondContact CB-OG 3.3Å; Q456-S512 PolarHBondContact N-O 2.88Å; Q456-S512 PolarHBondContact O-N 2.85Å; Q456-S512 PolarHBondContact O-OG 2.87Å; S512-P514 WeakPolarHBondContact O-CD 3.26Å; S512-V522 WeakPolarHBondContact CA-O 3.43Å
513	A	86.1	Confident	87.6	Confident	7 Å²	7	55.8 Å²	55.8	6%	0.058	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	110.4	174.9	0	0	0	0	0	109.4	Y511 G521 V522	Y511-A513 HydrophobicContact CD2-CB 4.47Å; Y511-A513 HydrophobicContact CE2-CB 4.29Å; A513-G521 CarbonylContact O-C 3.6Å; A513-G521 WeakPolarHBondContact O-CA 3.28Å; A513-V522 PolarHBondContact N-O 3.45Å; A513-V522 PolarHBondContact O-N 3.13Å
514	P	84.3	Confident	87.3	Confident	47 Å²	47	60.1 Å²	60.1	31%	0.305	33%	0.326	S	S	.	.			trans	-62.3	133.8	177.2	26.1	-31.3	0	0	0	110.9	V454 S512	V454-P514 HydrophobicContact CB-CG 4.38Å; V454-P514 HydrophobicContact CG1-CG 4.31Å; V454-P514 VanDerWaalsContact O-CD 3.28Å; V454-P514 WeakPolarHBondContact O-CD 3.33Å; S512-P514 WeakPolarHBondContact O-CD 3.26Å
515	T	83.1	Confident	87.2	Confident	59 Å²	59	63.4 Å²	63.4	36%	0.362	35%	0.346	S	S	.	.			trans	-126.5	163.1	175.5	65.4	0	0	0	0	109.9	L517 N518 V522	T515-L517 PolarHBondContact O-N 2.87Å; T515-N518 PolarHBondContact N-O 3.02Å; T515-N518 VanDerWaalsContact N-O 3.14Å; T515-N518 CarbonylContact O-C 3.57Å; T515-N518 PolarHBondContact O-N 3.36Å; T515-N518 VanDerWaalsContact O-N 3.12Å; T515-N518 VanDerWaalsContact O-O 3.11Å; T515-N518 PolarHBondContact OG1-N 2.96Å; T515-V522 HydrophobicContact CG2-CG2 4.15Å
516	E	79.6	Confident	87.1	Confident	202 Å²	202	66.1 Å²	66.1	94%	0.944	36%	0.36	S	S	*	.	S	Bend	trans	-57.7	-35.1	176.8	-65.1	-177.9	174.3	0	0	112.6
517	L	79.7	Confident	86.9	Confident	159 Å²	159	70.2 Å²	70.2	83%	0.832	38%	0.378	S	S	*	.	S	Bend	trans	-79.5	-24.3	178.8	-66	173.6	0	0	0	113.2	T515	T515-L517 PolarHBondContact O-N 2.87Å
518	N	81.8	Confident	86.9	Confident	59 Å²	59	71.5 Å²	71.5	32%	0.316	39%	0.387	S	S	.	.			trans	-140.2	91.1	179.1	-172.9	2	0	0	0	110.3	T515 K520 G521 V522	T515-N518 PolarHBondContact N-O 3.02Å; T515-N518 VanDerWaalsContact N-O 3.14Å; T515-N518 CarbonylContact O-C 3.57Å; T515-N518 PolarHBondContact O-N 3.36Å; T515-N518 VanDerWaalsContact O-N 3.12Å; T515-N518 VanDerWaalsContact O-O 3.11Å; T515-N518 PolarHBondContact OG1-N 2.96Å; N518-K520 PolarHBondContact O-N 3.35Å; N518-K520 PolarHBondContact OD1-N 3.05Å; N518-G521 PolarHBondContact ND2-O 2.85Å; N518-G521 VanDerWaalsContact ND2-O 3.11Å; N518-G521 WeakPolarHBondContact O-CA 3.3Å; N518-G521 PolarHBondContact O-N 3.43Å; N518-V522 HydrophobicContact CB-CG2 4.42Å
519	P	82.6	Confident	86.8	Confident	99 Å²	99	78.1 Å²	78.1	64%	0.643	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.5	-179.2	25.7	-34.1	0	0	0	113
520	K	78.8	Confident	86.9	Confident	178 Å²	178	78.6 Å²	78.6	77%	0.774	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-11.8	172.1	-65.1	-175.2	176.8	-179.1	0	113.1	N518	N518-K520 PolarHBondContact O-N 3.35Å; N518-K520 PolarHBondContact OD1-N 3.05Å
521	G	82.3	Confident	87	Confident	9 Å²	9	79.5 Å²	79.5	9%	0.093	42%	0.416	C	S	.	.			trans	91.1	147	176.5	0	0	0	0	0	115.7	A513 N518	A513-G521 CarbonylContact O-C 3.6Å; A513-G521 WeakPolarHBondContact O-CA 3.28Å; N518-G521 PolarHBondContact ND2-O 2.85Å; N518-G521 VanDerWaalsContact ND2-O 3.11Å; N518-G521 WeakPolarHBondContact O-CA 3.3Å; N518-G521 PolarHBondContact O-N 3.43Å
522	V	87.1	Confident	87.2	Confident	55 Å²	55	78.7 Å²	78.7	33%	0.333	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	127.8	174.8	-179.6	0	0	0	0	108.4	S512 A513 T515 N518 R524	S512-V522 WeakPolarHBondContact CA-O 3.43Å; A513-V522 PolarHBondContact N-O 3.45Å; A513-V522 PolarHBondContact O-N 3.13Å; T515-V522 HydrophobicContact CG2-CG2 4.15Å; N518-V522 HydrophobicContact CB-CG2 4.42Å; V522-R524 PolarHBondContact O-N 2.68Å
523	P	88.8	Confident	87.4	Confident	113 Å²	113	79.9 Å²	79.9	73%	0.734	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	128.6	177.8	28.2	-33.6	0	0	0	110.1	Y511	Y511-P523 WeakPolarHBondContact O-CA 3.44Å
524	R	88.2	Confident	87.7	Confident	97 Å²	97	79.6 Å²	79.6	37%	0.366	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	151.6	175.2	-68.7	-174.3	177.8	-108.3	1.1	109.5	D413 S510 Y511 V522	D413-R524 WeakPolarHBondContact OD2-CD 3.28Å; D413-R524 IonicContact OD2-CZ 3.58Å; D413-R524 IonicContact OD2-NE 3.67Å; S510-R524 WeakPolarHBondContact CA-O 3.3Å; Y511-R524 HydrophobicContact CD1-CB 4.45Å; Y511-R524 HydrophobicContact CD2-CB 4.18Å; Y511-R524 HydrophobicContact CE1-CB 3.95Å; Y511-R524 HydrophobicContact CE2-CB 3.68Å; Y511-R524 HydrophobicContact CE2-CG 4.33Å; Y511-R524 PolarHBondContact N-O 2.87Å; Y511-R524 PolarHBondContact O-N 2.81Å; V522-R524 PolarHBondContact O-N 2.68Å
525	V	90.3	Very high	88	Confident	103 Å²	103	78.2 Å²	78.2	62%	0.624	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.8	178.1	-176.9	0	0	0	0	109.2	V508 M509	V508-V525 HydrophobicContact CG1-CG1 3.51Å; M509-V525 CarbonylContact O-C 3.6Å; M509-V525 VanDerWaalsContact O-CA 3.26Å; M509-V525 WeakPolarHBondContact O-CA 3.16Å
526	L	90.3	Very high	88.5	Confident	56 Å²	56	75.4 Å²	75.4	29%	0.293	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.5	172.5	-178.6	72.5	0	0	0	108.8	L414 V416 M509 Y511	L414-L526 HydrophobicContact CB-CD2 4.35Å; L414-L526 HydrophobicContact CD2-CD2 4.08Å; L414-L526 HydrophobicContact CG-CD2 4.15Å; V416-L526 HydrophobicContact CB-CD2 4.14Å; V416-L526 HydrophobicContact CG2-CD2 3.72Å; M509-L526 HydrophobicContact CB-CB 4.48Å; M509-L526 PolarHBondContact N-O 2.7Å; M509-L526 PolarHBondContact O-N 2.89Å; Y511-L526 HydrophobicContact CE1-CB 4.31Å
527	Q	90.8	Very high	89.1	Confident	108 Å²	108	65.9 Å²	65.9	51%	0.505	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.4	176.4	-175	174.6	-1.3	0	0	110.4	D506 I507 V508	D506-Q527 VanDerWaalsContact CG-NE2 3.29Å; D506-Q527 PolarHBondContact OD1-NE2 3.37Å; I507-Q527 CarbonylContact O-C 3.57Å; I507-Q527 VanDerWaalsContact O-CA 3.32Å; I507-Q527 WeakPolarHBondContact O-CA 3.29Å; V508-Q527 HydrophobicContact CG2-CG 4.32Å
528	S	92.1	Very high	89.6	Confident	28 Å²	28	58.4 Å²	58.4	20%	0.196	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	146	175.2	-173	0	0	0	0	109.5	V416 I507	V416-S528 PolarHBondContact O-OG 3.09Å; I507-S528 PolarHBondContact N-O 2.86Å; I507-S528 PolarHBondContact O-N 2.79Å
529	R	92.9	Very high	90.1	Very high	180 Å²	180	57.3 Å²	57.3	68%	0.679	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	147.4	-178.4	-65.6	-159.3	176.9	144.1	2.7	112.1	G505 D506	G505-R529 WeakPolarHBondContact O-CA 3.28Å; D506-R529 WeakPolarHBondContact OD1-CD 3.49Å; D506-R529 WeakPolarHBondContact OD1-CG 3.5Å; D506-R529 IonicContact OD1-NE 2.75Å; D506-R529 PolarHBondContact OD1-NE 2.91Å
530	F	94	Very high	90.4	Very high	11 Å²	11	55.1 Å²	55.1	5%	0.048	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	157.7	170.4	64.8	-84.7	0	0	0	110.8	A418 V420 V445 I462 V464 F490 T504 G505 I507 L532	A418-F530 HydrophobicContact CB-CB 3.8Å; A418-F530 HydrophobicContact CB-CD1 4.4Å; A418-F530 HydrophobicContact CB-CG 4.35Å; V420-F530 HydrophobicContact CG2-CB 4.26Å; V420-F530 HydrophobicContact CG2-CD2 4.08Å; V445-F530 HydrophobicContact CG1-CD2 4.24Å; V445-F530 HydrophobicContact CG1-CE2 4.42Å; V445-F530 HydrophobicContact CG1-CG 4.45Å; V445-F530 HydrophobicContact CG2-CD2 4.3Å; V445-F530 HydrophobicContact CG2-CE2 4.08Å; I462-F530 HydrophobicContact CG2-CE1 4.35Å; I462-F530 HydrophobicContact CG2-CZ 4.22Å; V464-F530 HydrophobicContact CG1-CZ 4.05Å; F490-F530 HydrophobicContact CE2-CE2 4.45Å; F490-F530 AromaticContact CE2-CZ 3.99Å; F490-F530 HydrophobicContact CE2-CZ 3.99Å; F490-F530 HydrophobicContact CZ-CE1 4.11Å; F490-F530 HydrophobicContact CZ-CE2 4.43Å; F490-F530 AromaticContact CZ-CZ 3.78Å; F490-F530 HydrophobicContact CZ-CZ 3.78Å; T504-F530 WeakPolarHBondContact CA-O 3.34Å; G505-F530 VanDerWaalsContact C-CE1 3.46Å; G505-F530 PolarHBondContact N-O 3.44Å; G505-F530 VanDerWaalsContact O-CD1 3.28Å; G505-F530 WeakPolarHBondContact O-CD1 3.46Å; G505-F530 PolarHBondContact O-N 3.44Å; I507-F530 HydrophobicContact CD1-CD1 3.63Å; I507-F530 HydrophobicContact CD1-CE1 3.94Å; I507-F530 HydrophobicContact CG1-CD1 3.79Å; I507-F530 HydrophobicContact CG1-CE1 3.68Å; F530-L532 HydrophobicContact CD2-CD2 4.18Å; F530-L532 HydrophobicContact CD2-CG 4.28Å; F530-L532 HydrophobicContact CE2-CD1 4.38Å; F530-L532 HydrophobicContact CE2-CD2 3.84Å; F530-L532 HydrophobicContact CE2-CG 3.98Å
531	S	93.9	Very high	90.9	Very high	64 Å²	64	47.7 Å²	47.7	45%	0.448	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.2	179	-165.5	0	0	0	0	109.8	V420	V420-S531 WeakPolarHBondContact CG2-O 3.28Å
532	L	94.8	Very high	91.1	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	29%	0.287	C	S	.	.			trans	-86.2	150.7	177	-64.2	167.6	0	0	0	110.4	V443 V445 L468 A492 L503 F530 L536	V443-L532 HydrophobicContact CG1-CD2 3.66Å; V445-L532 HydrophobicContact CG2-CD2 4.01Å; L468-L532 HydrophobicContact CD1-CD1 3.83Å; A492-L532 HydrophobicContact CB-CD1 3.97Å; A492-L532 HydrophobicContact CB-CD2 3.77Å; L503-L532 HydrophobicContact CB-CB 4.3Å; L503-L532 VanDerWaalsContact O-CB 3.31Å; L503-L532 WeakPolarHBondContact O-CB 3.24Å; L503-L532 PolarHBondContact O-N 3.34Å; F530-L532 HydrophobicContact CD2-CD2 4.18Å; F530-L532 HydrophobicContact CD2-CG 4.28Å; F530-L532 HydrophobicContact CE2-CD1 4.38Å; F530-L532 HydrophobicContact CE2-CD2 3.84Å; F530-L532 HydrophobicContact CE2-CG 3.98Å; L532-L536 HydrophobicContact CB-CD2 4.25Å; L532-L536 HydrophobicContact CD1-CD2 4.05Å
533	P	93.3	Very high	90.9	Very high	40 Å²	40	51.4 Å²	51.4	26%	0.26	29%	0.287	S	S	.	.			trans	-72.8	143.8	-179.9	29.3	-34.5	0	0	0	112	L424 V443 A535 L536	L424-P533 HydrophobicContact CD2-CG 4.47Å; V443-P533 HydrophobicContact CG1-CG 4.41Å; V443-P533 HydrophobicContact CG2-CG 4.35Å; P533-A535 PolarHBondContact O-N 2.88Å; P533-L536 WeakPolarHBondContact O-CB 3.44Å; P533-L536 PolarHBondContact O-N 2.85Å
534	L	92.3	Very high	90.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-58	-30.7	175.9	-176.4	62.9	0	0	0	113.1	L503 L536 V537 C538 F566 F569 F583 L614 E618	L503-L534 HydrophobicContact CD1-CB 4.3Å; L503-L534 HydrophobicContact CD1-CD1 3.89Å; L534-L536 PolarHBondContact O-N 3.49Å; L534-V537 HydrophobicContact CD1-CG2 4.19Å; L534-V537 PolarHBondContact O-N 2.95Å; L534-V537 VanDerWaalsContact O-N 3.11Å; L534-C538 HydrophobicContact CG-CB 4.37Å; L534-C538 PolarHBondContact O-N 3.44Å; L534-F566 HydrophobicContact CD2-CE1 4.3Å; L534-F569 HydrophobicContact CB-CE2 4.24Å; L534-F569 HydrophobicContact CB-CZ 4.34Å; L534-F569 HydrophobicContact CD2-CE2 3.99Å; L534-F569 HydrophobicContact CD2-CZ 4.26Å; L534-F569 HydrophobicContact CG-CE2 4.12Å; L534-F569 HydrophobicContact CG-CZ 4.01Å; L534-F583 HydrophobicContact CD2-CD1 4.15Å; L534-F583 HydrophobicContact CD2-CE1 4.03Å; L534-L614 HydrophobicContact CD1-CB 4.44Å; L534-E618 HydrophobicContact CB-CG 4.38Å; L534-E618 HydrophobicContact CD2-CB 4.22Å; L534-E618 HydrophobicContact CD2-CG 4Å
535	A	91.9	Very high	90.2	Very high	19 Å²	19	52.8 Å²	52.8	16%	0.157	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-61.5	-11.9	175.6	0	0	0	0	0	114.2	L424 P533 V537 E568 F569	L424-A535 HydrophobicContact CD1-CB 4.32Å; P533-A535 PolarHBondContact O-N 2.88Å; A535-V537 VanDerWaalsContact C-N 3.28Å; A535-V537 PolarHBondContact O-N 3.04Å; A535-E568 HydrophobicContact CB-CG 4.22Å; A535-F569 HydrophobicContact CB-CZ 4.16Å
536	L	92.3	Very high	89.7	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-68.8	-27.7	174	-168.6	66.6	0	0	0	112.7	P441 V443 L468 A492 L532 P533 L534	P441-L536 HydrophobicContact CG-CD1 4.36Å; P441-L536 WeakPolarHBondContact CG-O 3.06Å; P441-L536 WeakPolarHBondContact O-CD1 3.31Å; V443-L536 HydrophobicContact CB-CD1 4.31Å; V443-L536 HydrophobicContact CG1-CD1 3.94Å; V443-L536 HydrophobicContact CG1-CD2 4.14Å; L468-L536 HydrophobicContact CD2-CD2 3.94Å; A492-L536 WeakPolarHBondContact O-CD1 3.49Å; L532-L536 HydrophobicContact CB-CD2 4.25Å; L532-L536 HydrophobicContact CD1-CD2 4.05Å; P533-L536 WeakPolarHBondContact O-CB 3.44Å; P533-L536 PolarHBondContact O-N 2.85Å; L534-L536 PolarHBondContact O-N 3.49Å
537	V	92.7	Very high	89.6	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.006	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-3	-172.5	-60.5	0	0	0	0	113.6	L468 L494 P500 L503 L534 A535 F585 L586 L614	L468-V537 HydrophobicContact CD2-CG1 4.09Å; L494-V537 HydrophobicContact CD1-CG1 4.1Å; P500-V537 HydrophobicContact CG-CG1 4.07Å; L503-V537 HydrophobicContact CD1-CG2 4.3Å; L503-V537 HydrophobicContact CD2-CG1 3.97Å; L503-V537 HydrophobicContact CD2-CG2 3.98Å; L534-V537 HydrophobicContact CD1-CG2 4.19Å; L534-V537 PolarHBondContact O-N 2.95Å; L534-V537 VanDerWaalsContact O-N 3.11Å; A535-V537 VanDerWaalsContact C-N 3.28Å; A535-V537 PolarHBondContact O-N 3.04Å; V537-F585 HydrophobicContact CG2-CD1 4.21Å; V537-F585 HydrophobicContact CG2-CE1 4.1Å; V537-F585 WeakPolarHBondContact O-CA 3.45Å; V537-L586 PolarHBondContact O-N 3.04Å; V537-L614 HydrophobicContact CG2-CD1 4.47Å
538	C	91.3	Very high	89.5	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.02	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	150.2	-176.5	-74.7	0	0	0	0	112.1	L534 F569 Q584 F585	L534-C538 HydrophobicContact CG-CB 4.37Å; L534-C538 PolarHBondContact O-N 3.44Å; C538-F569 HydrophobicContact CB-CE1 3.68Å; C538-F569 HydrophobicContact CB-CZ 3.8Å; C538-F569 WeakPolarHBondContact O-CE1 3.47Å; C538-Q584 CarbonylContact C-O 3.59Å; C538-Q584 VanDerWaalsContact CA-O 3.31Å; C538-Q584 WeakPolarHBondContact CA-O 3.43Å; C538-F585 WeakPolarHBondContact SG-CD1 3.36Å; C538-F585 WeakPolarHBondContact SG-CE1 3.39Å
539	V	91.2	Very high	89.4	Confident	36 Å²	36	55.7 Å²	55.7	22%	0.218	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	156	168.3	-62.8	0	0	0	0	110.3	L438 Q584 L586	L438-V539 HydrophobicContact CD1-CG2 3.78Å; L438-V539 HydrophobicContact CD2-CG2 4.23Å; V539-Q584 HydrophobicContact CG2-CB 4.06Å; V539-Q584 HydrophobicContact CG2-CG 4.33Å; V539-Q584 PolarHBondContact N-O 2.87Å; V539-Q584 PolarHBondContact O-N 2.79Å; V539-L586 HydrophobicContact CG1-CD2 4.01Å
540	P	90.4	Very high	89.4	Confident	53 Å²	53	52.2 Å²	52.2	34%	0.344	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	142.6	175.9	27.8	-34.4	0	0	0	111.6	F569 T571	P540-F569 HydrophobicContact CB-CB 4.35Å; P540-F569 HydrophobicContact CB-CD1 4.33Å; P540-F569 WeakPolarHBondContact CB-O 3.38Å; P540-T571 HydrophobicContact CB-CG2 3.82Å; P540-T571 HydrophobicContact CG-CG2 3.94Å
541	S	88.3	Confident	89.3	Confident	21 Å²	21	52 Å²	52	15%	0.147	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	165.8	178.8	168.4	0	0	0	0	111.2	A582	S541-A582 PolarHBondContact N-O 3.28Å; S541-A582 WeakPolarHBondContact O-CB 3.45Å
542	S	85.6	Confident	89.3	Confident	89 Å²	89	50.6 Å²	50.6	62%	0.622	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-68.3	138.7	169.6	60.8	0	0	0	0	111.5
543	P	84.2	Confident	89.2	Confident	53 Å²	53	50.5 Å²	50.5	34%	0.344	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-67.7	133.8	-179.2	26.5	-33.5	0	0	0	113.2	A582 T592	P543-A582 HydrophobicContact CB-CB 4.11Å; P543-T592 HydrophobicContact CB-CG2 3.54Å
544	A	83.8	Confident	89.2	Confident	32 Å²	32	49.3 Å²	49.3	26%	0.264	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-81.2	132.5	176.4	0	0	0	0	0	110.5	T547 T592 Q605	A544-T547 HydrophobicContact CB-CG2 3.76Å; A544-T592 PolarHBondContact N-OG1 3.12Å; A544-T592 VanDerWaalsContact N-OG1 3.07Å; A544-Q605 PolarHBondContact O-NE2 3.3Å
545	K	78.3	Confident	89.1	Confident	208 Å²	208	49.7 Å²	49.7	90%	0.904	27%	0.265	S	S	*	.	S	Bend	trans	-79.3	-30.1	-177.6	-70.5	-174.1	179	179.1	0	113.8
546	N	79.9	Confident	89	Confident	128 Å²	128	51.4 Å²	51.4	68%	0.684	27%	0.272	S	S	*	.			trans	-142.5	126.4	179.5	-162.2	19.6	0	0	0	110.3	K550	N546-K550 PolarHBondContact OD1-NZ 3.16Å
547	T	87.7	Confident	88.8	Confident	10 Å²	10	53 Å²	53	6%	0.061	28%	0.28	C	S	.	.			trans	-138.8	160.9	-180	64.5	0	0	0	0	110.1	A544 F549 K550 Q605 S606 D607	A544-T547 HydrophobicContact CB-CG2 3.76Å; T547-F549 PolarHBondContact OG1-O 3.47Å; T547-K550 WeakPolarHBondContact O-CE 3.24Å; T547-Q605 HydrophobicContact CG2-CG 4.3Å; T547-Q605 VanDerWaalsContact OG1-CB 3.22Å; T547-Q605 WeakPolarHBondContact OG1-CB 3.45Å; T547-Q605 WeakPolarHBondContact OG1-CG 3.28Å; T547-S606 VanDerWaalsContact CB-C 3.5Å; T547-S606 WeakPolarHBondContact CB-O 3.49Å; T547-S606 PolarHBondContact OG1-N 3.16Å; T547-S606 PolarHBondContact OG1-O 3.06Å; T547-D607 VanDerWaalsContact CA-OD1 3.26Å; T547-D607 WeakPolarHBondContact CA-OD1 3.33Å; T547-D607 WeakPolarHBondContact CB-OD1 3.18Å
548	K	88.8	Confident	88.4	Confident	165 Å²	165	56.7 Å²	56.7	72%	0.717	30%	0.303	S	S	*	.	S	Bend	trans	-65.7	-47.5	-175.2	-66.8	178.9	-177.7	173.8	0	114	S606 D607	K548-S606 PolarHBondContact N-O 2.96Å; K548-D607 PolarHBondContact N-OD1 2.83Å; K548-D607 VanDerWaalsContact N-OD1 3.08Å
549	F	90.5	Very high	88	Confident	53 Å²	53	59 Å²	59	23%	0.232	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	141	-172.5	-54.7	-67.3	0	0	0	111.6	T547 Q605 S606 D607 F609 M612 E647	T547-F549 PolarHBondContact OG1-O 3.47Å; F549-Q605 VanDerWaalsContact O-CA 3.25Å; F549-Q605 WeakPolarHBondContact O-CA 3.49Å; F549-S606 PolarHBondContact N-O 3.02Å; F549-S606 PolarHBondContact O-N 3.05Å; F549-D607 VanDerWaalsContact CE2-O 3.31Å; F549-D607 WeakPolarHBondContact CE2-O 3.42Å; F549-F609 HydrophobicContact CD2-CB 4.05Å; F549-F609 HydrophobicContact CE2-CB 4.15Å; F549-F609 HydrophobicContact CG-CB 4.25Å; F549-F609 HydrophobicContact CZ-CB 4.47Å; F549-M612 HydrophobicContact CB-CE 3.58Å; F549-M612 HydrophobicContact CB-SD 4.25Å; F549-E647 HydrophobicContact CD1-CG 3.74Å; F549-E647 HydrophobicContact CE1-CB 4.36Å; F549-E647 HydrophobicContact CE1-CG 3.3Å; F549-E647 HydrophobicContact CZ-CG 4.18Å
550	K	92.3	Very high	87.8	Confident	106 Å²	106	58.3 Å²	58.3	46%	0.461	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	127.1	-175.4	-64.6	174.9	-176	167.7	0	110.6	N546 T547 I604 Q605	N546-K550 PolarHBondContact OD1-NZ 3.16Å; T547-K550 WeakPolarHBondContact O-CE 3.24Å; K550-I604 CarbonylContact C-O 3.5Å; K550-I604 WeakPolarHBondContact CA-O 3.02Å; K550-Q605 HydrophobicContact CG-CB 3.89Å
551	I	92.9	Very high	87.6	Confident	8 Å²	8	59.1 Å²	59.1	4%	0.041	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.5	174.8	-66.6	174	0	0	0	107.9	R603 I604 F609 M612 F639 L736 L740	I551-R603 CarbonylContact O-C 3.57Å; I551-R603 WeakPolarHBondContact O-CA 3.5Å; I551-I604 PolarHBondContact N-O 2.95Å; I551-I604 PolarHBondContact O-N 2.89Å; I551-F609 HydrophobicContact CD1-CE2 4.4Å; I551-M612 HydrophobicContact CD1-CE 3.49Å; I551-M612 VanDerWaalsContact CD1-CE 3.49Å; I551-M612 HydrophobicContact CD1-SD 3.96Å; I551-M612 HydrophobicContact CG1-CE 3.92Å; I551-M612 HydrophobicContact CG1-SD 4.12Å; I551-F639 HydrophobicContact CG2-CD2 4.3Å; I551-F639 HydrophobicContact CG2-CE2 4Å; I551-L736 HydrophobicContact CD1-CD1 3.97Å; I551-L736 HydrophobicContact CD1-CD2 3.71Å; I551-L736 HydrophobicContact CD1-CG 4.14Å; I551-L740 HydrophobicContact CD1-CD1 4.16Å; I551-L740 HydrophobicContact CG2-CD2 3.86Å
552	T	93	Very high	87.5	Confident	34 Å²	34	58.2 Å²	58.2	21%	0.209	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.6	178.5	-54.1	0	0	0	0	109.8	R601 Y602 F639	T552-R601 HydrophobicContact CG2-CB 3.96Å; T552-Y602 CarbonylContact C-O 3.54Å; T552-Y602 WeakPolarHBondContact CA-O 3.26Å; T552-F639 VanDerWaalsContact O-CD2 3.29Å; T552-F639 WeakPolarHBondContact O-CD2 3.14Å
553	V	92.8	Very high	87.4	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.012	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.2	174.4	-179.2	0	0	0	0	108.4	Y602 I604 V616	V553-Y602 PolarHBondContact N-O 3.09Å; V553-Y602 PolarHBondContact O-N 2.92Å; V553-I604 HydrophobicContact CG2-CD1 3.97Å; V553-V616 HydrophobicContact CG2-CG1 4.41Å
554	D	92.3	Very high	87.4	Confident	15 Å²	15	55.2 Å²	55.2	8%	0.08	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	141.9	176.6	-58.9	-47.7	0	0	0	109.7	R601 K637 S638 S640	D554-R601 WeakPolarHBondContact OD1-CD 3.32Å; D554-R601 WeakPolarHBondContact OD1-CG 3.31Å; D554-R601 IonicContact OD1-CZ 3.77Å; D554-R601 IonicContact OD1-NE 2.79Å; D554-R601 PolarHBondContact OD1-NE 2.82Å; D554-K637 CarbonylContact O-C 3.6Å; D554-K637 WeakPolarHBondContact O-CA 3.45Å; D554-S638 WeakPolarHBondContact CB-O 3.44Å; D554-S638 PolarHBondContact N-O 2.81Å; D554-S638 PolarHBondContact O-N 2.8Å; D554-S640 WeakPolarHBondContact OD2-CB 3.27Å; D554-S640 PolarHBondContact OD2-OG 2.84Å
555	T	90.9	Very high	87.6	Confident	8 Å²	8	54.5 Å²	54.5	5%	0.049	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	157	173.7	58.2	0	0	0	0	110.5	Q557 Q600 Y602 F623 F635 K636	T555-Q557 VanDerWaalsContact C-N 3.35Å; T555-Q557 PolarHBondContact OG1-O 3.12Å; T555-Q600 PolarHBondContact N-O 3.31Å; T555-Q600 WeakPolarHBondContact O-CB 3.29Å; T555-Q600 PolarHBondContact O-OE1 3.49Å; T555-Q600 PolarHBondContact OG1-O 2.96Å; T555-Y602 HydrophobicContact CG2-CD2 4.14Å; T555-Y602 HydrophobicContact CG2-CE2 3.84Å; T555-F623 HydrophobicContact CG2-CD2 4.16Å; T555-F623 HydrophobicContact CG2-CE2 4.25Å; T555-F635 HydrophobicContact CG2-CE2 3.96Å; T555-F635 HydrophobicContact CG2-CZ 3.95Å; T555-K636 WeakPolarHBondContact CA-O 3.22Å
556	N	90.4	Very high	88.1	Confident	55 Å²	55	44.7 Å²	44.7	29%	0.294	24%	0.238	S	C	.	.	S	Bend	trans	-88.3	-1.5	171.6	69	-28.7	0	0	0	114.2	D634 K636	N556-D634 PolarHBondContact ND2-O 3.38Å; N556-K636 HydrophobicContact CB-CB 4.4Å; N556-K636 PolarHBondContact N-O 2.87Å; N556-K636 VanDerWaalsContact N-O 3.08Å; N556-K636 PolarHBondContact OD1-N 3.34Å; N556-K636 PolarHBondContact OD1-O 2.79Å
557	Q	87.8	Confident	88.3	Confident	34 Å²	34	47.7 Å²	47.7	16%	0.159	24%	0.24	C	C	.	.	S	Bend	trans	-107.5	157.3	-179.6	-66.3	-60.5	-22.9	0	0	111	T555 Q600 F627 F635	T555-Q557 VanDerWaalsContact C-N 3.35Å; T555-Q557 PolarHBondContact OG1-O 3.12Å; Q557-Q600 WeakPolarHBondContact O-CB 3.36Å; Q557-Q600 WeakPolarHBondContact O-CG 3.4Å; Q557-F627 HydrophobicContact CB-CE1 3.78Å; Q557-F627 HydrophobicContact CB-CE2 4.23Å; Q557-F627 HydrophobicContact CB-CZ 3.59Å; Q557-F627 HydrophobicContact CG-CD1 4.33Å; Q557-F627 HydrophobicContact CG-CE1 4.04Å; Q557-F627 HydrophobicContact CG-CZ 4.17Å; Q557-F635 HydrophobicContact CB-CD2 4.37Å; Q557-F635 HydrophobicContact CB-CE2 4.44Å; Q557-F635 HydrophobicContact CG-CD2 3.75Å; Q557-F635 HydrophobicContact CG-CE2 4.3Å
558	P	84.4	Confident	88.2	Confident	78 Å²	78	51.3 Å²	51.3	51%	0.506	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-61.2	152.7	177.6	25.5	-34.3	0	0	0	112.1	V560	P558-V560 PolarHBondContact O-N 2.87Å
559	P	83.4	Confident	88	Confident	52 Å²	52	43.7 Å²	43.7	34%	0.338	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-55.2	131.8	177	-23.6	32.8	0	0	0	112.4	S596 S599 Y602	P559-S596 WeakPolarHBondContact CG-O 3.14Å; P559-S599 WeakPolarHBondContact CG-O 3.05Å; P559-Y602 VanDerWaalsContact CA-OH 3.3Å; P559-Y602 WeakPolarHBondContact CA-OH 3.5Å
560	V	85.4	Confident	87.3	Confident	21 Å²	21	44 Å²	44	13%	0.127	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-98.6	144.7	177.4	-170.1	0	0	0	0	109.2	P558 L562 I565 Y602 F627	P558-V560 PolarHBondContact O-N 2.87Å; V560-L562 PolarHBondContact O-N 3.29Å; V560-I565 HydrophobicContact CB-CD1 3.77Å; V560-I565 HydrophobicContact CG1-CD1 3.53Å; V560-I565 HydrophobicContact CG1-CG1 4.01Å; V560-Y602 PolarHBondContact N-OH 2.73Å; V560-F627 HydrophobicContact CG2-CE1 4.11Å; V560-F627 HydrophobicContact CG2-CE2 4.2Å; V560-F627 HydrophobicContact CG2-CZ 3.46Å; V560-F627 VanDerWaalsContact CG2-CZ 3.46Å
561	D	85.9	Confident	85.9	Confident	70 Å²	70	42.6 Å²	42.6	37%	0.374	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-60.2	116.8	172.4	173.9	12.9	0	0	0	110.1	S563 S564 G578	D561-S563 PolarHBondContact O-N 2.82Å; D561-S563 VanDerWaalsContact OD1-CB 3.26Å; D561-S563 WeakPolarHBondContact OD1-CB 3.4Å; D561-S563 PolarHBondContact OD1-N 2.81Å; D561-S563 PolarHBondContact OD1-OG 3.31Å; D561-S564 WeakPolarHBondContact O-CB 3.37Å; D561-S564 PolarHBondContact O-N 2.66Å; D561-S564 VanDerWaalsContact O-N 3.15Å; D561-S564 PolarHBondContact O-OG 3.24Å; D561-G578 WeakPolarHBondContact OD1-CA 3.35Å
562	L	86.2	Confident	84	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-64.3	-30.9	-177	-67.3	175.3	0	0	0	111.4	V560 S564 I565 F566 G578 L581 V593 A595 Y602 L619	V560-L562 PolarHBondContact O-N 3.29Å; L562-S564 VanDerWaalsContact C-N 3.25Å; L562-S564 PolarHBondContact O-N 3.36Å; L562-I565 PolarHBondContact O-N 3.04Å; L562-F566 PolarHBondContact O-N 2.97Å; L562-G578 PolarHBondContact N-O 2.81Å; L562-G578 VanDerWaalsContact N-O 3.08Å; L562-L581 HydrophobicContact CB-CB 4.24Å; L562-L581 HydrophobicContact CD1-CB 4.29Å; L562-V593 HydrophobicContact CD1-CB 4.28Å; L562-V593 HydrophobicContact CD1-CG1 3.87Å; L562-V593 HydrophobicContact CD2-CG1 4.12Å; L562-A595 HydrophobicContact CD1-CB 4.01Å; L562-A595 HydrophobicContact CG-CB 4.1Å; L562-Y602 HydrophobicContact CD2-CD1 4.2Å; L562-Y602 HydrophobicContact CD2-CE1 4.18Å; L562-L619 HydrophobicContact CD2-CD1 4.13Å
563	S	84.8	Confident	81.9	Confident	35 Å²	35	55.4 Å²	55.4	25%	0.245	29%	0.292	C	S	.	.	H	α-helix	trans	-66.5	-30.1	179	-35.7	0	0	0	0	111.7	D561 R567 G578	D561-S563 PolarHBondContact O-N 2.82Å; D561-S563 VanDerWaalsContact OD1-CB 3.26Å; D561-S563 WeakPolarHBondContact OD1-CB 3.4Å; D561-S563 PolarHBondContact OD1-N 2.81Å; D561-S563 PolarHBondContact OD1-OG 3.31Å; S563-R567 WeakPolarHBondContact O-CA 3.4Å; S563-R567 PolarHBondContact O-N 3.18Å; S563-G578 WeakPolarHBondContact OG-CA 3.08Å
564	S	84.9	Confident	79.6	Confident	45 Å²	45	64.3 Å²	64.3	32%	0.315	33%	0.334	S	S	.	.	H	α-helix	trans	-74.3	-28	177.6	78.4	0	0	0	0	113	D561 L562 R567	D561-S564 WeakPolarHBondContact O-CB 3.37Å; D561-S564 PolarHBondContact O-N 2.66Å; D561-S564 VanDerWaalsContact O-N 3.15Å; D561-S564 PolarHBondContact O-OG 3.24Å; L562-S564 VanDerWaalsContact C-N 3.25Å; L562-S564 PolarHBondContact O-N 3.36Å; S564-R567 WeakPolarHBondContact O-CG 3.42Å; S564-R567 PolarHBondContact O-NE 3.36Å
565	I	87.1	Confident	77.6	Confident	17 Å²	17	69.8 Å²	69.8	9%	0.087	36%	0.363	C	S	.	.	H	α-helix	trans	-90	-39.6	-177.7	-64.5	-179.3	0	0	0	111.3	V560 L562 R622 F623	V560-I565 HydrophobicContact CB-CD1 3.77Å; V560-I565 HydrophobicContact CG1-CD1 3.53Å; V560-I565 HydrophobicContact CG1-CG1 4.01Å; L562-I565 PolarHBondContact O-N 3.04Å; I565-R622 HydrophobicContact CG2-CB 3.64Å; I565-R622 HydrophobicContact CG2-CG 4.32Å; I565-R622 PolarHBondContact O-NH1 3.03Å; I565-F623 HydrophobicContact CD1-CD1 3.59Å; I565-F623 HydrophobicContact CD1-CE1 3.28Å; I565-F623 HydrophobicContact CD1-CZ 4.42Å
566	F	88.6	Confident	75.8	Confident	1 Å²	1	79.2 Å²	79.2	0%	0.004	40%	0.404	C	S	.	.	S	Bend	trans	-110.8	61.8	178.3	-66.3	-81.2	0	0	0	110.4	L534 L562 E568 F569 S570 L581 F583 E618 L619	L534-F566 HydrophobicContact CD2-CE1 4.3Å; L562-F566 PolarHBondContact O-N 2.97Å; F566-E568 PolarHBondContact O-N 3.11Å; F566-F569 HydrophobicContact CB-CB 4.36Å; F566-F569 HydrophobicContact CB-CD2 4.16Å; F566-F569 HydrophobicContact CD1-CD2 4.15Å; F566-F569 PolarHBondContact O-N 3.27Å; F566-S570 PolarHBondContact O-N 3.24Å; F566-L581 HydrophobicContact CB-CD1 4.14Å; F566-L581 HydrophobicContact CB-CD2 4.25Å; F566-F583 AromaticContact CD1-CE1 3.77Å; F566-F583 HydrophobicContact CD1-CE1 3.77Å; F566-F583 AromaticContact CD1-CZ 3.79Å; F566-F583 HydrophobicContact CD1-CZ 3.79Å; F566-F583 HydrophobicContact CD2-CZ 4.1Å; F566-F583 HydrophobicContact CE1-CE1 4.08Å; F566-F583 AromaticContact CE1-CZ 3.88Å; F566-F583 HydrophobicContact CE1-CZ 3.88Å; F566-F583 HydrophobicContact CE2-CZ 4.2Å; F566-F583 HydrophobicContact CG-CE1 4.14Å; F566-F583 AromaticContact CG-CZ 3.89Å; F566-F583 HydrophobicContact CG-CZ 3.89Å; F566-F583 HydrophobicContact CZ-CZ 4.09Å; F566-E618 HydrophobicContact CE1-CB 4.31Å; F566-E618 HydrophobicContact CE1-CG 3.7Å; F566-E618 HydrophobicContact CZ-CG 4.29Å; F566-L619 HydrophobicContact CE2-CD1 3.81Å; F566-L619 HydrophobicContact CZ-CB 4.41Å; F566-L619 HydrophobicContact CZ-CD1 4.28Å
567	R	84.8	Confident	74.3	Confident	191 Å²	191	81.1 Å²	81.1	72%	0.721	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-57.3	-39.2	-174.4	-63.9	-176.9	-177.3	-179	-3.3	112	S563 S564 F569 S570	S563-R567 WeakPolarHBondContact O-CA 3.4Å; S563-R567 PolarHBondContact O-N 3.18Å; S564-R567 WeakPolarHBondContact O-CG 3.42Å; S564-R567 PolarHBondContact O-NE 3.36Å; R567-F569 PolarHBondContact O-N 3.39Å; R567-S570 PolarHBondContact O-N 3.08Å; R567-S570 PolarHBondContact O-OG 2.9Å
568	E	83.9	Confident	73.4	Confident	86 Å²	86	80.2 Å²	80.2	40%	0.402	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-68.9	-14.7	-179	68.4	-82.9	-162.4	0	0	114	A535 F566 R622	A535-E568 HydrophobicContact CB-CG 4.22Å; F566-E568 PolarHBondContact O-N 3.11Å; E568-R622 IonicContact OE1-CZ 2.98Å; E568-R622 IonicContact OE1-NH1 3.62Å; E568-R622 PolarHBondContact OE1-NH1 2.8Å; E568-R622 IonicContact OE1-NH2 3.24Å; E568-R622 PolarHBondContact OE1-NH2 2.66Å; E568-R622 IonicContact OE2-NH1 2.68Å; E568-R622 PolarHBondContact OE2-NH1 3.22Å
569	F	85.4	Confident	73.3	Confident	5 Å²	5	78.7 Å²	78.7	2%	0.022	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-110.2	5.2	177.4	-62.4	-76.5	0	0	0	113.4	L534 A535 C538 P540 F566 R567 T571 L581 F583	L534-F569 HydrophobicContact CB-CE2 4.24Å; L534-F569 HydrophobicContact CB-CZ 4.34Å; L534-F569 HydrophobicContact CD2-CE2 3.99Å; L534-F569 HydrophobicContact CD2-CZ 4.26Å; L534-F569 HydrophobicContact CG-CE2 4.12Å; L534-F569 HydrophobicContact CG-CZ 4.01Å; A535-F569 HydrophobicContact CB-CZ 4.16Å; C538-F569 HydrophobicContact CB-CE1 3.68Å; C538-F569 HydrophobicContact CB-CZ 3.8Å; C538-F569 WeakPolarHBondContact O-CE1 3.47Å; P540-F569 HydrophobicContact CB-CB 4.35Å; P540-F569 HydrophobicContact CB-CD1 4.33Å; P540-F569 WeakPolarHBondContact CB-O 3.38Å; F566-F569 HydrophobicContact CB-CB 4.36Å; F566-F569 HydrophobicContact CB-CD2 4.16Å; F566-F569 HydrophobicContact CD1-CD2 4.15Å; F566-F569 PolarHBondContact O-N 3.27Å; R567-F569 PolarHBondContact O-N 3.39Å; F569-T571 PolarHBondContact O-N 3.37Å; F569-L581 HydrophobicContact CB-CD1 4.32Å; F569-L581 HydrophobicContact CB-CD2 3.78Å; F569-L581 HydrophobicContact CB-CG 4.47Å; F569-F583 HydrophobicContact CB-CD1 4.5Å; F569-F583 HydrophobicContact CB-CE1 4.23Å; F569-F583 AromaticContact CD1-CD1 3.96Å; F569-F583 HydrophobicContact CD1-CD1 3.96Å; F569-F583 HydrophobicContact CD1-CE1 4.34Å; F569-F583 AromaticContact CD2-CD1 3.94Å; F569-F583 HydrophobicContact CD2-CD1 3.94Å; F569-F583 AromaticContact CD2-CE1 3.54Å; F569-F583 HydrophobicContact CD2-CE1 3.54Å; F569-F583 HydrophobicContact CE1-CD1 4.12Å; F569-F583 HydrophobicContact CE2-CD1 4.1Å; F569-F583 AromaticContact CE2-CE1 3.92Å; F569-F583 HydrophobicContact CE2-CE1 3.92Å; F569-F583 AromaticContact CG-CD1 3.87Å; F569-F583 HydrophobicContact CG-CD1 3.87Å; F569-F583 AromaticContact CG-CE1 3.78Å; F569-F583 HydrophobicContact CG-CE1 3.78Å; F569-F583 HydrophobicContact CZ-CD1 4.18Å; F569-F583 HydrophobicContact CZ-CE1 4.47Å
570	S	75.1	Confident	73.5	Confident	60 Å²	60	78.4 Å²	78.4	42%	0.42	40%	0.401	S	S	.	.			trans	-77.4	106	175.7	66.4	0	0	0	0	110.5	F566 R567	F566-S570 PolarHBondContact O-N 3.24Å; R567-S570 PolarHBondContact O-N 3.08Å; R567-S570 PolarHBondContact O-OG 2.9Å
571	T	63.8	Low	73.7	Confident	76 Å²	76	78 Å²	78	47%	0.466	40%	0.397	S	S	.	.			trans	-76	135.6	169.7	44.4	0	0	0	0	109.5	P540 F569 T573	P540-T571 HydrophobicContact CB-CG2 3.82Å; P540-T571 HydrophobicContact CG-CG2 3.94Å; F569-T571 PolarHBondContact O-N 3.37Å; T571-T573 PolarHBondContact O-N 3.3Å; T571-T573 PolarHBondContact O-OG1 3.17Å; T571-T573 PolarHBondContact OG1-OG1 2.89Å
572	K	53.9	Low	73.9	Confident	221 Å²	221	74.8 Å²	74.8	96%	0.961	38%	0.381	S	S	*	.			trans	-71.7	52.4	172.9	-63.9	-177.5	-178.9	177.6	0	111.5
573	T	47.2	Very low	74.2	Confident	90 Å²	90	74.7 Å²	74.7	55%	0.552	38%	0.381	S	S	*	.			trans	-99.8	152.8	177.2	39.5	0	0	0	0	110.2	T571 D575	T571-T573 PolarHBondContact O-N 3.3Å; T571-T573 PolarHBondContact O-OG1 3.17Å; T571-T573 PolarHBondContact OG1-OG1 2.89Å; T573-D575 PolarHBondContact O-N 3.07Å
574	E	46.3	Very low	74.6	Confident	189 Å²	189	75.1 Å²	75.1	88%	0.883	38%	0.378	S	S	*	.	S	Bend	trans	-65.1	3.6	-166.9	-62.3	-175.9	142.4	0	0	116.5	K576	E574-K576 PolarHBondContact O-N 2.94Å
575	D	49.2	Very low	75	Confident	130 Å²	130	73 Å²	73	70%	0.695	36%	0.364	S	S	*	.			trans	-75.2	92.3	174.1	-80.7	-27.8	0	0	0	110.1	T573 D577	T573-D575 PolarHBondContact O-N 3.07Å; D575-D577 PolarHBondContact O-N 3.2Å
576	K	52.9	Low	75.1	Confident	207 Å²	207	72.2 Å²	72.2	90%	0.9	36%	0.36	S	S	*	.			trans	-65.4	-0.8	178.5	-70.6	-177	176.9	177.7	0	115	E574	E574-K576 PolarHBondContact O-N 2.94Å
577	D	60.3	Low	75	Confident	94 Å²	94	73.6 Å²	73.6	50%	0.503	37%	0.37	S	S	.	.			trans	-104.9	92.4	-179.5	-76.5	-28.2	0	0	0	109.3	D575 N579 K597	D575-D577 PolarHBondContact O-N 3.2Å; D577-N579 PolarHBondContact O-N 3.4Å; D577-K597 IonicContact OD1-NZ 3.18Å; D577-K597 PolarHBondContact OD1-NZ 3.46Å; D577-K597 IonicContact OD2-NZ 2.71Å; D577-K597 PolarHBondContact OD2-NZ 3.44Å
578	G	68	Low	75.2	Confident	16 Å²	16	66 Å²	66	17%	0.165	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	31.4	-179.8	0	0	0	0	0	116.6	D561 L562 S563	D561-G578 WeakPolarHBondContact OD1-CA 3.35Å; L562-G578 PolarHBondContact N-O 2.81Å; L562-G578 VanDerWaalsContact N-O 3.08Å; S563-G578 WeakPolarHBondContact OG-CA 3.08Å
579	N	81.8	Confident	75.4	Confident	45 Å²	45	62.8 Å²	62.8	24%	0.241	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-4.1	-167.4	-64.2	-0.9	0	0	0	113.7	D577 A595 K597	D577-N579 PolarHBondContact O-N 3.4Å; N579-A595 PolarHBondContact O-N 3.46Å; N579-K597 WeakPolarHBondContact ND2-CE 3.47Å; N579-K597 WeakPolarHBondContact ND2-CG 3.43Å
580	S	87.1	Confident	75.7	Confident	47 Å²	47	66.8 Å²	66.8	33%	0.329	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	133.9	173.6	59	0	0	0	0	110.2	V593	S580-V593 WeakPolarHBondContact CA-O 3.37Å
581	L	90.2	Very high	76.6	Confident	11 Å²	11	64 Å²	64	6%	0.058	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.3	177.3	-162.4	135	0	0	0	109.3	L562 F566 F569 F583 V593	L562-L581 HydrophobicContact CB-CB 4.24Å; L562-L581 HydrophobicContact CD1-CB 4.29Å; F566-L581 HydrophobicContact CB-CD1 4.14Å; F566-L581 HydrophobicContact CB-CD2 4.25Å; F569-L581 HydrophobicContact CB-CD1 4.32Å; F569-L581 HydrophobicContact CB-CD2 3.78Å; F569-L581 HydrophobicContact CB-CG 4.47Å; L581-F583 HydrophobicContact CD2-CD1 3.99Å; L581-F583 HydrophobicContact CD2-CD2 4.05Å; L581-F583 HydrophobicContact CD2-CE1 3.38Å; L581-F583 HydrophobicContact CD2-CE2 3.43Å; L581-F583 VanDerWaalsContact CD2-CE2 3.43Å; L581-F583 HydrophobicContact CD2-CG 4.32Å; L581-F583 HydrophobicContact CD2-CZ 3.09Å; L581-V593 PolarHBondContact N-O 3.37Å; L581-V593 PolarHBondContact O-N 3.26Å
582	A	90.6	Very high	78	Confident	3 Å²	3	60.3 Å²	60.3	3%	0.025	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.5	179.2	0	0	0	0	0	112.4	S541 P543 V591 T592	S541-A582 PolarHBondContact N-O 3.28Å; S541-A582 WeakPolarHBondContact O-CB 3.45Å; P543-A582 HydrophobicContact CB-CB 4.11Å; A582-V591 CarbonylContact C-O 3.58Å; A582-V591 WeakPolarHBondContact CA-O 3.26Å; A582-T592 HydrophobicContact CB-CG2 4.33Å
583	F	92.8	Very high	79.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127	-175.1	-52	-93.8	0	0	0	107.5	L534 F566 F569 L581 K590 V591 V593 V615	L534-F583 HydrophobicContact CD2-CD1 4.15Å; L534-F583 HydrophobicContact CD2-CE1 4.03Å; F566-F583 AromaticContact CD1-CE1 3.77Å; F566-F583 HydrophobicContact CD1-CE1 3.77Å; F566-F583 AromaticContact CD1-CZ 3.79Å; F566-F583 HydrophobicContact CD1-CZ 3.79Å; F566-F583 HydrophobicContact CD2-CZ 4.1Å; F566-F583 HydrophobicContact CE1-CE1 4.08Å; F566-F583 AromaticContact CE1-CZ 3.88Å; F566-F583 HydrophobicContact CE1-CZ 3.88Å; F566-F583 HydrophobicContact CE2-CZ 4.2Å; F566-F583 HydrophobicContact CG-CE1 4.14Å; F566-F583 AromaticContact CG-CZ 3.89Å; F566-F583 HydrophobicContact CG-CZ 3.89Å; F566-F583 HydrophobicContact CZ-CZ 4.09Å; F569-F583 HydrophobicContact CB-CD1 4.5Å; F569-F583 HydrophobicContact CB-CE1 4.23Å; F569-F583 AromaticContact CD1-CD1 3.96Å; F569-F583 HydrophobicContact CD1-CD1 3.96Å; F569-F583 HydrophobicContact CD1-CE1 4.34Å; F569-F583 AromaticContact CD2-CD1 3.94Å; F569-F583 HydrophobicContact CD2-CD1 3.94Å; F569-F583 AromaticContact CD2-CE1 3.54Å; F569-F583 HydrophobicContact CD2-CE1 3.54Å; F569-F583 HydrophobicContact CE1-CD1 4.12Å; F569-F583 HydrophobicContact CE2-CD1 4.1Å; F569-F583 AromaticContact CE2-CE1 3.92Å; F569-F583 HydrophobicContact CE2-CE1 3.92Å; F569-F583 AromaticContact CG-CD1 3.87Å; F569-F583 HydrophobicContact CG-CD1 3.87Å; F569-F583 AromaticContact CG-CE1 3.78Å; F569-F583 HydrophobicContact CG-CE1 3.78Å; F569-F583 HydrophobicContact CZ-CD1 4.18Å; F569-F583 HydrophobicContact CZ-CE1 4.47Å; L581-F583 HydrophobicContact CD2-CD1 3.99Å; L581-F583 HydrophobicContact CD2-CD2 4.05Å; L581-F583 HydrophobicContact CD2-CE1 3.38Å; L581-F583 HydrophobicContact CD2-CE2 3.43Å; L581-F583 VanDerWaalsContact CD2-CE2 3.43Å; L581-F583 HydrophobicContact CD2-CG 4.32Å; L581-F583 HydrophobicContact CD2-CZ 3.09Å; F583-K590 CarbonylContact O-C 3.07Å; F583-K590 WeakPolarHBondContact O-CA 3.45Å; F583-V591 PolarHBondContact N-O 2.73Å; F583-V591 PolarHBondContact O-N 2.79Å; F583-V593 HydrophobicContact CD2-CG2 4.35Å; F583-V593 HydrophobicContact CE2-CB 4.4Å; F583-V593 HydrophobicContact CE2-CG2 3.71Å; F583-V615 HydrophobicContact CB-CG2 4.37Å; F583-V615 HydrophobicContact CD2-CG1 3.75Å; F583-V615 HydrophobicContact CD2-CG2 4.13Å; F583-V615 HydrophobicContact CE2-CG1 3.58Å; F583-V615 HydrophobicContact CG-CG2 4.26Å; F583-V615 HydrophobicContact CZ-CG1 4.25Å
584	Q	92.7	Very high	82	Confident	43 Å²	43	48.3 Å²	48.3	20%	0.201	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.6	168.7	173.5	172	-8.3	0	0	108	C538 V539 A589 K590	C538-Q584 CarbonylContact C-O 3.59Å; C538-Q584 VanDerWaalsContact CA-O 3.31Å; C538-Q584 WeakPolarHBondContact CA-O 3.43Å; V539-Q584 HydrophobicContact CG2-CB 4.06Å; V539-Q584 HydrophobicContact CG2-CG 4.33Å; V539-Q584 PolarHBondContact N-O 2.87Å; V539-Q584 PolarHBondContact O-N 2.79Å; Q584-A589 CarbonylContact C-O 3.51Å; Q584-A589 WeakPolarHBondContact CA-O 3.33Å; Q584-K590 HydrophobicContact CB-CG 4.22Å; Q584-K590 HydrophobicContact CG-CG 4.27Å
585	F	92.8	Very high	84.1	Confident	1 Å²	1	39.8 Å²	39.8	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	149.2	168.8	-72.7	-78.1	0	0	0	109.7	P499 V537 C538 S587 G588 A589 V591 D611 L614 V615	P499-F585 HydrophobicContact CB-CD1 3.76Å; P499-F585 HydrophobicContact CB-CE1 4.02Å; P499-F585 HydrophobicContact CB-CG 4.23Å; V537-F585 HydrophobicContact CG2-CD1 4.21Å; V537-F585 HydrophobicContact CG2-CE1 4.1Å; V537-F585 WeakPolarHBondContact O-CA 3.45Å; C538-F585 WeakPolarHBondContact SG-CD1 3.36Å; C538-F585 WeakPolarHBondContact SG-CE1 3.39Å; F585-S587 PolarHBondContact O-N 2.93Å; F585-S587 VanDerWaalsContact O-N 3.14Å; F585-G588 PolarHBondContact O-N 2.73Å; F585-A589 HydrophobicContact CB-CB 4.44Å; F585-A589 HydrophobicContact CD2-CB 4.08Å; F585-A589 PolarHBondContact N-O 2.9Å; F585-V591 HydrophobicContact CD2-CG2 4.44Å; F585-V591 HydrophobicContact CE2-CG2 3.83Å; F585-D611 HydrophobicContact CD2-CB 4.27Å; F585-D611 HydrophobicContact CE2-CB 3.95Å; F585-D611 WeakPolarHBondContact CE2-O 3.43Å; F585-L614 HydrophobicContact CE1-CB 4.41Å; F585-L614 HydrophobicContact CE1-CD1 3.58Å; F585-L614 HydrophobicContact CZ-CB 4.1Å; F585-L614 HydrophobicContact CZ-CD1 3.97Å; F585-V615 HydrophobicContact CZ-CG2 4.27Å
586	L	90.8	Very high	85.9	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.1	176.1	-64	174.3	0	0	0	112.2	I435 L438 V440 L494 V537 V539 G588	I435-L586 HydrophobicContact CD1-CB 4.48Å; I435-L586 WeakPolarHBondContact CG2-O 3.3Å; L438-L586 HydrophobicContact CB-CD2 3.86Å; L438-L586 HydrophobicContact CD1-CD2 4.24Å; V440-L586 HydrophobicContact CG1-CD1 4.34Å; L494-L586 HydrophobicContact CD2-CB 3.97Å; L494-L586 HydrophobicContact CD2-CD1 3.9Å; L494-L586 HydrophobicContact CD2-CG 4.5Å; V537-L586 PolarHBondContact O-N 3.04Å; V539-L586 HydrophobicContact CG1-CD2 4.01Å; L586-G588 PolarHBondContact O-N 3.03Å
587	S	86.3	Confident	87.2	Confident	30 Å²	30	31.7 Å²	31.7	21%	0.21	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	3.8	172.9	64.3	0	0	0	0	114.9	Q497 P499 F585	Q497-S587 WeakPolarHBondContact O-CB 3.45Å; P499-S587 WeakPolarHBondContact CD-OG 3.4Å; F585-S587 PolarHBondContact O-N 2.93Å; F585-S587 VanDerWaalsContact O-N 3.14Å
588	G	87.6	Confident	88.1	Confident	30 Å²	30	33.9 Å²	33.9	31%	0.309	20%	0.199	S	C	.	.	S	Bend	trans	98.6	-19.9	174.3	0	0	0	0	0	116.5	F585 L586	F585-G588 PolarHBondContact O-N 2.73Å; L586-G588 PolarHBondContact O-N 3.03Å
589	A	89.3	Confident	88.7	Confident	20 Å²	20	34.9 Å²	34.9	17%	0.165	20%	0.203	C	C	.	.			trans	-65.6	140.5	-178.4	0	0	0	0	0	112.6	Q584 F585 D611	Q584-A589 CarbonylContact C-O 3.51Å; Q584-A589 WeakPolarHBondContact CA-O 3.33Å; F585-A589 HydrophobicContact CB-CB 4.44Å; F585-A589 HydrophobicContact CD2-CB 4.08Å; F585-A589 PolarHBondContact N-O 2.9Å; A589-D611 HydrophobicContact CB-CB 4.16Å; A589-D611 WeakPolarHBondContact CB-OD2 3.27Å
590	K	92.1	Very high	89.1	Confident	89 Å²	89	37.1 Å²	37.1	39%	0.387	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.1	-176.7	-62.6	-173.7	-179	-171.3	0	112	F583 Q584 S606	F583-K590 CarbonylContact O-C 3.07Å; F583-K590 WeakPolarHBondContact O-CA 3.45Å; Q584-K590 HydrophobicContact CB-CG 4.22Å; Q584-K590 HydrophobicContact CG-CG 4.27Å; K590-S606 PolarHBondContact O-OG 3.41Å
591	V	94.1	Very high	89.2	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.2	177.2	-175.5	0	0	0	0	109.2	A582 F583 F585 I604 D611 V615	A582-V591 CarbonylContact C-O 3.58Å; A582-V591 WeakPolarHBondContact CA-O 3.26Å; F583-V591 PolarHBondContact N-O 2.73Å; F583-V591 PolarHBondContact O-N 2.79Å; F585-V591 HydrophobicContact CD2-CG2 4.44Å; F585-V591 HydrophobicContact CE2-CG2 3.83Å; V591-I604 HydrophobicContact CG1-CG2 3.54Å; V591-D611 HydrophobicContact CG2-CB 4.28Å; V591-V615 HydrophobicContact CB-CG2 3.99Å; V591-V615 HydrophobicContact CG1-CB 3.97Å; V591-V615 HydrophobicContact CG1-CG1 4.05Å; V591-V615 HydrophobicContact CG1-CG2 3.92Å; V591-V615 HydrophobicContact CG2-CG2 4.27Å
592	T	93.1	Very high	89.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.9	178.3	-57.5	0	0	0	0	110.2	P543 A544 A582 L594 I604 Q605	P543-T592 HydrophobicContact CB-CG2 3.54Å; A544-T592 PolarHBondContact N-OG1 3.12Å; A544-T592 VanDerWaalsContact N-OG1 3.07Å; A582-T592 HydrophobicContact CB-CG2 4.33Å; T592-L594 HydrophobicContact CG2-CD2 3.98Å; T592-L594 HydrophobicContact CG2-CG 4.17Å; T592-I604 CarbonylContact O-C 3.58Å; T592-I604 WeakPolarHBondContact O-CA 3.29Å; T592-Q605 PolarHBondContact N-O 3.11Å; T592-Q605 PolarHBondContact O-N 3.47Å
593	V	92.6	Very high	89.4	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.5	173.8	-177.6	0	0	0	0	108.9	L562 S580 L581 F583 R603 I604 V615 L619	L562-V593 HydrophobicContact CD1-CB 4.28Å; L562-V593 HydrophobicContact CD1-CG1 3.87Å; L562-V593 HydrophobicContact CD2-CG1 4.12Å; S580-V593 WeakPolarHBondContact CA-O 3.37Å; L581-V593 PolarHBondContact N-O 3.37Å; L581-V593 PolarHBondContact O-N 3.26Å; F583-V593 HydrophobicContact CD2-CG2 4.35Å; F583-V593 HydrophobicContact CE2-CB 4.4Å; F583-V593 HydrophobicContact CE2-CG2 3.71Å; V593-R603 CarbonylContact C-O 3.59Å; V593-R603 WeakPolarHBondContact CA-O 3.33Å; V593-I604 HydrophobicContact CG1-CG1 4.43Å; V593-I604 HydrophobicContact CG2-CG1 4.04Å; V593-I604 HydrophobicContact CG2-CG2 4.33Å; V593-V615 HydrophobicContact CG2-CG1 3.52Å; V593-L619 HydrophobicContact CG1-CD1 4.28Å; V593-L619 HydrophobicContact CG1-CD2 4.47Å
594	L	91	Very high	89.4	Confident	57 Å²	57	46.1 Å²	46.1	30%	0.298	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	115.4	-179.6	-60	172.8	0	0	0	109.2	T592 Y602 R603	T592-L594 HydrophobicContact CG2-CD2 3.98Å; T592-L594 HydrophobicContact CG2-CG 4.17Å; L594-Y602 CarbonylContact O-C 3.57Å; L594-Y602 WeakPolarHBondContact O-CA 3.5Å; L594-R603 HydrophobicContact CB-CB 4.4Å; L594-R603 PolarHBondContact N-O 3.28Å; L594-R603 PolarHBondContact O-N 2.77Å
595	A	90	Very high	89.5	Confident	11 Å²	11	44.4 Å²	44.4	9%	0.091	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	123.1	170	0	0	0	0	0	109.5	L562 N579 Y602	L562-A595 HydrophobicContact CD1-CB 4.01Å; L562-A595 HydrophobicContact CG-CB 4.1Å; N579-A595 PolarHBondContact O-N 3.46Å; A595-Y602 HydrophobicContact CB-CD1 3.71Å; A595-Y602 HydrophobicContact CB-CE1 3.65Å
596	S	87.2	Confident	89.5	Confident	36 Å²	36	44.4 Å²	44.4	25%	0.252	23%	0.23	S	C	.	.			trans	-72.9	130.6	177.4	179.7	0	0	0	0	111.1	P559 T598 S599 R601	P559-S596 WeakPolarHBondContact CG-O 3.14Å; S596-T598 VanDerWaalsContact C-N 3.31Å; S596-T598 PolarHBondContact O-N 3.07Å; S596-S599 WeakPolarHBondContact CB-O 3.41Å; S596-S599 WeakPolarHBondContact CB-OG 3.28Å; S596-S599 VanDerWaalsContact O-O 3.11Å; S596-S599 PolarHBondContact OG-N 3.21Å; S596-S599 PolarHBondContact OG-OG 3.26Å; S596-R601 WeakPolarHBondContact CB-O 3.47Å; S596-R601 PolarHBondContact N-O 3.07Å
597	K	80.9	Confident	89.6	Confident	130 Å²	130	48.8 Å²	48.8	57%	0.565	25%	0.253	S	S	*	.	S	Bend	trans	-68.1	-29.7	176.2	-75	-176.6	-176.8	-173.8	0	113	D577 N579	D577-K597 IonicContact OD1-NZ 3.18Å; D577-K597 PolarHBondContact OD1-NZ 3.46Å; D577-K597 IonicContact OD2-NZ 2.71Å; D577-K597 PolarHBondContact OD2-NZ 3.44Å; N579-K597 WeakPolarHBondContact ND2-CE 3.47Å; N579-K597 WeakPolarHBondContact ND2-CG 3.43Å
598	T	78.9	Confident	89.8	Confident	140 Å²	140	48.5 Å²	48.5	86%	0.859	25%	0.251	S	S	*	.	S	Bend	trans	-111.7	-6	-168.4	54.4	0	0	0	0	113.5	S596	S596-T598 VanDerWaalsContact C-N 3.31Å; S596-T598 PolarHBondContact O-N 3.07Å
599	S	81.8	Confident	90	Very high	38 Å²	38	47.3 Å²	47.3	27%	0.266	24%	0.238	S	C	.	.	S	Bend	trans	-139	154.2	180	71.1	0	0	0	0	111.1	P559 S596 R601	P559-S599 WeakPolarHBondContact CG-O 3.05Å; S596-S599 WeakPolarHBondContact CB-O 3.41Å; S596-S599 WeakPolarHBondContact CB-OG 3.28Å; S596-S599 VanDerWaalsContact O-O 3.11Å; S596-S599 PolarHBondContact OG-N 3.21Å; S596-S599 PolarHBondContact OG-OG 3.26Å; S599-R601 PolarHBondContact O-N 3.22Å; S599-R601 WeakPolarHBondContact OG-CB 3.47Å; S599-R601 WeakPolarHBondContact OG-CG 3.43Å
600	Q	89.1	Confident	90.1	Very high	92 Å²	92	47.9 Å²	47.9	43%	0.43	24%	0.237	S	C	.	.	S	Bend	trans	-79	49.5	177.4	-56.1	172.1	-18.9	0	0	111.7	T555 Q557	T555-Q600 PolarHBondContact N-O 3.31Å; T555-Q600 WeakPolarHBondContact O-CB 3.29Å; T555-Q600 PolarHBondContact O-OE1 3.49Å; T555-Q600 PolarHBondContact OG1-O 2.96Å; Q557-Q600 WeakPolarHBondContact O-CB 3.36Å; Q557-Q600 WeakPolarHBondContact O-CG 3.4Å
601	R	89.8	Confident	90.1	Very high	127 Å²	127	44.3 Å²	44.3	48%	0.479	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.6	-170.2	-54	-166.5	155	158.2	-1.6	111.5	T552 D554 S596 S599	T552-R601 HydrophobicContact CG2-CB 3.96Å; D554-R601 WeakPolarHBondContact OD1-CD 3.32Å; D554-R601 WeakPolarHBondContact OD1-CG 3.31Å; D554-R601 IonicContact OD1-CZ 3.77Å; D554-R601 IonicContact OD1-NE 2.79Å; D554-R601 PolarHBondContact OD1-NE 2.82Å; S596-R601 WeakPolarHBondContact CB-O 3.47Å; S596-R601 PolarHBondContact N-O 3.07Å; S599-R601 PolarHBondContact O-N 3.22Å; S599-R601 WeakPolarHBondContact OG-CB 3.47Å; S599-R601 WeakPolarHBondContact OG-CG 3.43Å
602	Y	92.3	Very high	90.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119.8	175.5	-59.8	-93.7	0	0	0	109.1	T552 V553 T555 P559 V560 L562 L594 A595 F623	T552-Y602 CarbonylContact C-O 3.54Å; T552-Y602 WeakPolarHBondContact CA-O 3.26Å; V553-Y602 PolarHBondContact N-O 3.09Å; V553-Y602 PolarHBondContact O-N 2.92Å; T555-Y602 HydrophobicContact CG2-CD2 4.14Å; T555-Y602 HydrophobicContact CG2-CE2 3.84Å; P559-Y602 VanDerWaalsContact CA-OH 3.3Å; P559-Y602 WeakPolarHBondContact CA-OH 3.5Å; V560-Y602 PolarHBondContact N-OH 2.73Å; L562-Y602 HydrophobicContact CD2-CD1 4.2Å; L562-Y602 HydrophobicContact CD2-CE1 4.18Å; L594-Y602 CarbonylContact O-C 3.57Å; L594-Y602 WeakPolarHBondContact O-CA 3.5Å; A595-Y602 HydrophobicContact CB-CD1 3.71Å; A595-Y602 HydrophobicContact CB-CE1 3.65Å; Y602-F623 HydrophobicContact CD1-CE2 4.24Å; Y602-F623 AromaticContact CD1-CZ 3.88Å; Y602-F623 HydrophobicContact CD1-CZ 3.88Å; Y602-F623 AromaticContact CD2-CE2 3.68Å; Y602-F623 HydrophobicContact CD2-CE2 3.68Å; Y602-F623 HydrophobicContact CD2-CZ 4.16Å; Y602-F623 HydrophobicContact CE1-CE2 4.01Å; Y602-F623 AromaticContact CE1-CZ 3.5Å; Y602-F623 HydrophobicContact CE1-CZ 3.5Å; Y602-F623 VanDerWaalsContact CE1-CZ 3.5Å; Y602-F623 HydrophobicContact CE2-CD2 4.48Å; Y602-F623 AromaticContact CE2-CE2 3.41Å; Y602-F623 HydrophobicContact CE2-CE2 3.41Å; Y602-F623 VanDerWaalsContact CE2-CE2 3.41Å; Y602-F623 AromaticContact CE2-CZ 3.81Å; Y602-F623 HydrophobicContact CE2-CZ 3.81Å; Y602-F623 HydrophobicContact CG-CE2 4.07Å; Y602-F623 HydrophobicContact CG-CZ 4.17Å; Y602-F623 AromaticContact CZ-CE2 3.55Å; Y602-F623 AromaticContact CZ-CZ 3.42Å; Y602-F623 VanDerWaalsContact CZ-CZ 3.42Å
603	R	92.2	Very high	90.1	Very high	123 Å²	123	44.9 Å²	44.9	46%	0.464	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	121.5	178.3	-178.8	176.4	-68.3	157.2	-1.1	109.6	I551 V593 L594	I551-R603 CarbonylContact O-C 3.57Å; I551-R603 WeakPolarHBondContact O-CA 3.5Å; V593-R603 CarbonylContact C-O 3.59Å; V593-R603 WeakPolarHBondContact CA-O 3.33Å; L594-R603 HydrophobicContact CB-CB 4.4Å; L594-R603 PolarHBondContact N-O 3.28Å; L594-R603 PolarHBondContact O-N 2.77Å
604	I	94.1	Very high	90.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	132.8	173.4	-54.4	89.3	0	0	0	107.5	K550 I551 V553 V591 T592 V593 M612 V616 L619	K550-I604 CarbonylContact C-O 3.5Å; K550-I604 WeakPolarHBondContact CA-O 3.02Å; I551-I604 PolarHBondContact N-O 2.95Å; I551-I604 PolarHBondContact O-N 2.89Å; V553-I604 HydrophobicContact CG2-CD1 3.97Å; V591-I604 HydrophobicContact CG1-CG2 3.54Å; T592-I604 CarbonylContact O-C 3.58Å; T592-I604 WeakPolarHBondContact O-CA 3.29Å; V593-I604 HydrophobicContact CG1-CG1 4.43Å; V593-I604 HydrophobicContact CG2-CG1 4.04Å; V593-I604 HydrophobicContact CG2-CG2 4.33Å; I604-M612 HydrophobicContact CG2-CB 4.46Å; I604-M612 HydrophobicContact CG2-CG 4.37Å; I604-V616 HydrophobicContact CB-CG2 4.08Å; I604-V616 HydrophobicContact CD1-CG2 4.07Å; I604-V616 HydrophobicContact CG1-CG2 3.9Å; I604-V616 HydrophobicContact CG2-CG2 3.98Å; I604-L619 HydrophobicContact CD1-CD2 3.95Å; I604-L619 HydrophobicContact CG1-CD2 4.33Å
605	Q	93.3	Very high	90.4	Very high	7 Å²	7	42.5 Å²	42.5	3%	0.033	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	140.2	-175.8	74.4	-177.1	2.2	0	0	112.2	A544 T547 F549 K550 T592	A544-Q605 PolarHBondContact O-NE2 3.3Å; T547-Q605 HydrophobicContact CG2-CG 4.3Å; T547-Q605 VanDerWaalsContact OG1-CB 3.22Å; T547-Q605 WeakPolarHBondContact OG1-CB 3.45Å; T547-Q605 WeakPolarHBondContact OG1-CG 3.28Å; F549-Q605 VanDerWaalsContact O-CA 3.25Å; F549-Q605 WeakPolarHBondContact O-CA 3.49Å; K550-Q605 HydrophobicContact CG-CB 3.89Å; T592-Q605 PolarHBondContact N-O 3.11Å; T592-Q605 PolarHBondContact O-N 3.47Å
606	S	94.1	Very high	90.6	Very high	1 Å²	1	42 Å²	42	1%	0.007	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	161.6	-176.2	-179.1	0	0	0	0	110.7	T547 K548 F549 K590 S608	T547-S606 VanDerWaalsContact CB-C 3.5Å; T547-S606 WeakPolarHBondContact CB-O 3.49Å; T547-S606 PolarHBondContact OG1-N 3.16Å; T547-S606 PolarHBondContact OG1-O 3.06Å; K548-S606 PolarHBondContact N-O 2.96Å; F549-S606 PolarHBondContact N-O 3.02Å; F549-S606 PolarHBondContact O-N 3.05Å; K590-S606 PolarHBondContact O-OG 3.41Å; S606-S608 VanDerWaalsContact C-N 3.32Å; S606-S608 VanDerWaalsContact CB-O 3.26Å; S606-S608 WeakPolarHBondContact CB-O 3.01Å; S606-S608 PolarHBondContact OG-N 2.91Å; S606-S608 VanDerWaalsContact OG-N 3.14Å; S606-S608 PolarHBondContact OG-O 3.39Å
607	D	92	Very high	90.9	Very high	93 Å²	93	41.6 Å²	41.6	50%	0.497	20%	0.201	S	C	.	.	S	Bend	trans	-84.5	-10.9	170.2	-72.5	-37	0	0	0	113.4	T547 K548 F549	T547-D607 VanDerWaalsContact CA-OD1 3.26Å; T547-D607 WeakPolarHBondContact CA-OD1 3.33Å; T547-D607 WeakPolarHBondContact CB-OD1 3.18Å; K548-D607 PolarHBondContact N-OD1 2.83Å; K548-D607 VanDerWaalsContact N-OD1 3.08Å; F549-D607 VanDerWaalsContact CE2-O 3.31Å; F549-D607 WeakPolarHBondContact CE2-O 3.42Å
608	S	91.1	Very high	91.4	Very high	24 Å²	24	36.7 Å²	36.7	17%	0.168	18%	0.18	C	C	.	.	S	Bend	trans	-123.5	132.8	178.8	174.6	0	0	0	0	109.7	S606 E610 D611	S606-S608 VanDerWaalsContact C-N 3.32Å; S606-S608 VanDerWaalsContact CB-O 3.26Å; S606-S608 WeakPolarHBondContact CB-O 3.01Å; S606-S608 PolarHBondContact OG-N 2.91Å; S606-S608 VanDerWaalsContact OG-N 3.14Å; S606-S608 PolarHBondContact OG-O 3.39Å; S608-E610 VanDerWaalsContact OG-CD 3.25Å; S608-E610 WeakPolarHBondContact OG-CG 3.47Å; S608-D611 WeakPolarHBondContact CB-OD2 3.4Å; S608-D611 PolarHBondContact OG-OD2 3.3Å
609	F	91.5	Very high	92.1	Very high	5 Å²	5	30 Å²	30	2%	0.022	14%	0.139	C	C	.	.	S	Bend	trans	-75.4	-47.6	-171.9	174	-104.2	0	0	0	111.5	F549 I551 D611 M612 P644 E647 L736	F549-F609 HydrophobicContact CD2-CB 4.05Å; F549-F609 HydrophobicContact CE2-CB 4.15Å; F549-F609 HydrophobicContact CG-CB 4.25Å; F549-F609 HydrophobicContact CZ-CB 4.47Å; I551-F609 HydrophobicContact CD1-CE2 4.4Å; F609-D611 VanDerWaalsContact C-N 3.28Å; F609-D611 PolarHBondContact O-N 3.17Å; F609-M612 HydrophobicContact CD2-CE 3.55Å; F609-M612 HydrophobicContact CE2-CE 4.09Å; F609-M612 HydrophobicContact CG-CE 4.38Å; F609-M612 PolarHBondContact O-N 2.97Å; F609-P644 HydrophobicContact CE2-CB 3.57Å; F609-P644 HydrophobicContact CE2-CG 3.56Å; F609-P644 HydrophobicContact CZ-CB 3.88Å; F609-P644 HydrophobicContact CZ-CG 3.56Å; F609-E647 HydrophobicContact CB-CB 4.36Å; F609-E647 HydrophobicContact CD1-CB 4.19Å; F609-E647 HydrophobicContact CD2-CB 4.04Å; F609-E647 HydrophobicContact CD2-CG 4.47Å; F609-E647 HydrophobicContact CE2-CB 4.43Å; F609-E647 HydrophobicContact CG-CB 3.92Å; F609-L736 HydrophobicContact CD2-CD2 4.42Å; F609-L736 HydrophobicContact CE1-CD2 4.25Å; F609-L736 HydrophobicContact CE2-CD2 3.88Å; F609-L736 HydrophobicContact CZ-CD2 3.78Å; F609-L736 HydrophobicContact CZ-CG 4.37Å
610	E	92.2	Very high	92.6	Very high	32 Å²	32	28.6 Å²	28.6	15%	0.15	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-36.8	179.1	49.9	-92.5	-138.2	0	0	113	S608 M612 W613 R729	S608-E610 VanDerWaalsContact OG-CD 3.25Å; S608-E610 WeakPolarHBondContact OG-CG 3.47Å; E610-M612 VanDerWaalsContact C-N 3.26Å; E610-M612 PolarHBondContact O-N 3.35Å; E610-W613 WeakPolarHBondContact O-CB 3.43Å; E610-W613 PolarHBondContact O-N 3.47Å; E610-R729 HydrophobicContact CB-CB 4.3Å; E610-R729 HydrophobicContact CG-CB 4.15Å; E610-R729 HydrophobicContact CG-CG 4.11Å
611	D	91.5	Very high	92.7	Very high	14 Å²	14	27.5 Å²	27.5	8%	0.075	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-15.6	-174.5	-61.6	-34.8	0	0	0	113.1	P499 F585 A589 V591 S608 F609 W613	P499-D611 WeakPolarHBondContact CG-OD1 3.35Å; F585-D611 HydrophobicContact CD2-CB 4.27Å; F585-D611 HydrophobicContact CE2-CB 3.95Å; F585-D611 WeakPolarHBondContact CE2-O 3.43Å; A589-D611 HydrophobicContact CB-CB 4.16Å; A589-D611 WeakPolarHBondContact CB-OD2 3.27Å; V591-D611 HydrophobicContact CG2-CB 4.28Å; S608-D611 WeakPolarHBondContact CB-OD2 3.4Å; S608-D611 PolarHBondContact OG-OD2 3.3Å; F609-D611 VanDerWaalsContact C-N 3.28Å; F609-D611 PolarHBondContact O-N 3.17Å; D611-W613 PolarHBondContact O-N 2.95Å
612	M	92.9	Very high	92.7	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-68.5	-25.5	174.6	-66.3	-169.8	-73.5	0	0	112.4	F549 I551 I604 F609 E610 L614 V615 V616 L736	F549-M612 HydrophobicContact CB-CE 3.58Å; F549-M612 HydrophobicContact CB-SD 4.25Å; I551-M612 HydrophobicContact CD1-CE 3.49Å; I551-M612 VanDerWaalsContact CD1-CE 3.49Å; I551-M612 HydrophobicContact CD1-SD 3.96Å; I551-M612 HydrophobicContact CG1-CE 3.92Å; I551-M612 HydrophobicContact CG1-SD 4.12Å; I604-M612 HydrophobicContact CG2-CB 4.46Å; I604-M612 HydrophobicContact CG2-CG 4.37Å; F609-M612 HydrophobicContact CD2-CE 3.55Å; F609-M612 HydrophobicContact CE2-CE 4.09Å; F609-M612 HydrophobicContact CG-CE 4.38Å; F609-M612 PolarHBondContact O-N 2.97Å; E610-M612 VanDerWaalsContact C-N 3.26Å; E610-M612 PolarHBondContact O-N 3.35Å; M612-L614 PolarHBondContact O-N 3.36Å; M612-V615 PolarHBondContact O-N 3.37Å; M612-V616 HydrophobicContact CB-CG2 4.47Å; M612-V616 WeakPolarHBondContact O-CB 3.43Å; M612-V616 VanDerWaalsContact O-CG2 3.22Å; M612-V616 WeakPolarHBondContact O-CG2 3.17Å; M612-V616 PolarHBondContact O-N 3.24Å; M612-L736 HydrophobicContact CB-CD2 4.16Å; M612-L736 HydrophobicContact CE-CD2 4.48Å
613	W	94.8	Very high	92.7	Very high	11 Å²	11	23.1 Å²	23.1	4%	0.042	11%	0.107	C	C	.	.	H	α-helix	trans	-52.8	-58.5	-172.9	165.1	-124.7	0	0	0	113.3	A501 E610 D611 V615 V616 K617 S732 H735 L736 L739	A501-W613 PolarHBondContact O-NE1 3.49Å; E610-W613 WeakPolarHBondContact O-CB 3.43Å; E610-W613 PolarHBondContact O-N 3.47Å; D611-W613 PolarHBondContact O-N 2.95Å; W613-V615 VanDerWaalsContact C-N 3.29Å; W613-V615 PolarHBondContact O-N 2.88Å; W613-V616 PolarHBondContact O-N 3.2Å; W613-K617 HydrophobicContact CD2-CB 4.42Å; W613-K617 HydrophobicContact CE3-CB 4.31Å; W613-K617 HydrophobicContact CH2-CB 4.03Å; W613-K617 HydrophobicContact CH2-CD 4.08Å; W613-K617 HydrophobicContact CH2-CG 4.07Å; W613-K617 HydrophobicContact CZ2-CB 4.09Å; W613-K617 HydrophobicContact CZ2-CD 3.57Å; W613-K617 HydrophobicContact CZ2-CG 4.06Å; W613-K617 HydrophobicContact CZ3-CB 4.13Å; W613-K617 WeakPolarHBondContact O-CB 3.44Å; W613-K617 PolarHBondContact O-N 3.21Å; W613-S732 WeakPolarHBondContact CB-O 3.43Å; W613-H735 HydrophobicContact CD2-CB 3.61Å; W613-H735 AromaticContact CE2-CG 3.87Å; W613-H735 HydrophobicContact CE3-CB 3.99Å; W613-H735 HydrophobicContact CG-CB 4.19Å; W613-H735 HydrophobicContact CH2-CB 3.79Å; W613-H735 HydrophobicContact CZ2-CB 3.41Å; W613-H735 VanDerWaalsContact CZ2-CB 3.41Å; W613-H735 AromaticContact CZ2-CG 3.75Å; W613-H735 AromaticContact CZ2-ND1 3.85Å; W613-H735 HydrophobicContact CZ3-CB 4.06Å; W613-H735 WeakPolarHBondContact CZ3-O 3.43Å; W613-L736 HydrophobicContact CB-CB 4.13Å; W613-L736 HydrophobicContact CE3-CB 4.01Å; W613-L736 HydrophobicContact CE3-CD1 4.31Å; W613-L739 HydrophobicContact CE3-CD2 4.33Å; W613-L739 HydrophobicContact CH2-CB 4.36Å; W613-L739 HydrophobicContact CH2-CD2 4.41Å; W613-L739 HydrophobicContact CZ3-CB 3.64Å; W613-L739 HydrophobicContact CZ3-CD2 3.57Å; W613-L739 HydrophobicContact CZ3-CG 4.21Å
614	L	94.1	Very high	92.6	Very high	8 Å²	8	20.2 Å²	20.2	4%	0.042	10%	0.101	C	C	.	.	H	α-helix	trans	-60.6	-40.4	-173.9	-70.2	177.7	0	0	0	111.7	P499 P500 L503 L534 V537 F585 M612 E618	P499-L614 HydrophobicContact CB-CD1 4.42Å; P500-L614 HydrophobicContact CG-CD1 4.46Å; P500-L614 WeakPolarHBondContact O-CD1 3.29Å; L503-L614 HydrophobicContact CG-CD2 4.27Å; L534-L614 HydrophobicContact CD1-CB 4.44Å; V537-L614 HydrophobicContact CG2-CD1 4.47Å; F585-L614 HydrophobicContact CE1-CB 4.41Å; F585-L614 HydrophobicContact CE1-CD1 3.58Å; F585-L614 HydrophobicContact CZ-CB 4.1Å; F585-L614 HydrophobicContact CZ-CD1 3.97Å; M612-L614 PolarHBondContact O-N 3.36Å; L614-E618 VanDerWaalsContact O-CB 3.31Å; L614-E618 WeakPolarHBondContact O-CB 3.5Å; L614-E618 PolarHBondContact O-N 2.79Å
615	V	94.1	Very high	92.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-69.9	-41.2	179.6	-179.4	0	0	0	0	111.3	F583 F585 V591 V593 M612 W613 E618 L619	F583-V615 HydrophobicContact CB-CG2 4.37Å; F583-V615 HydrophobicContact CD2-CG1 3.75Å; F583-V615 HydrophobicContact CD2-CG2 4.13Å; F583-V615 HydrophobicContact CE2-CG1 3.58Å; F583-V615 HydrophobicContact CG-CG2 4.26Å; F583-V615 HydrophobicContact CZ-CG1 4.25Å; F585-V615 HydrophobicContact CZ-CG2 4.27Å; V591-V615 HydrophobicContact CB-CG2 3.99Å; V591-V615 HydrophobicContact CG1-CB 3.97Å; V591-V615 HydrophobicContact CG1-CG1 4.05Å; V591-V615 HydrophobicContact CG1-CG2 3.92Å; V591-V615 HydrophobicContact CG2-CG2 4.27Å; V593-V615 HydrophobicContact CG2-CG1 3.52Å; M612-V615 PolarHBondContact O-N 3.37Å; W613-V615 VanDerWaalsContact C-N 3.29Å; W613-V615 PolarHBondContact O-N 2.88Å; V615-E618 PolarHBondContact O-N 3.46Å; V615-L619 VanDerWaalsContact O-CB 3.25Å; V615-L619 WeakPolarHBondContact O-CB 3.23Å; V615-L619 PolarHBondContact O-N 2.93Å
616	V	94.1	Very high	92.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.7	-43	176.2	176.5	0	0	0	0	110.7	V553 I604 M612 W613 L619 V620 L736 L739	V553-V616 HydrophobicContact CG2-CG1 4.41Å; I604-V616 HydrophobicContact CB-CG2 4.08Å; I604-V616 HydrophobicContact CD1-CG2 4.07Å; I604-V616 HydrophobicContact CG1-CG2 3.9Å; I604-V616 HydrophobicContact CG2-CG2 3.98Å; M612-V616 HydrophobicContact CB-CG2 4.47Å; M612-V616 WeakPolarHBondContact O-CB 3.43Å; M612-V616 VanDerWaalsContact O-CG2 3.22Å; M612-V616 WeakPolarHBondContact O-CG2 3.17Å; M612-V616 PolarHBondContact O-N 3.24Å; W613-V616 PolarHBondContact O-N 3.2Å; V616-L619 PolarHBondContact O-N 3.14Å; V616-V620 HydrophobicContact CG1-CG2 4.5Å; V616-V620 WeakPolarHBondContact O-CB 3.34Å; V616-V620 VanDerWaalsContact O-CG2 3.29Å; V616-V620 WeakPolarHBondContact O-CG2 3.45Å; V616-V620 PolarHBondContact O-N 3.12Å; V616-L736 HydrophobicContact CB-CD1 4.35Å; V616-L736 HydrophobicContact CG1-CD1 4.37Å; V616-L736 HydrophobicContact CG2-CD1 4.39Å; V616-L739 HydrophobicContact CG1-CD2 3.71Å
617	K	93.8	Very high	92	Very high	28 Å²	28	28.1 Å²	28.1	12%	0.122	14%	0.138	C	C	.	.	H	α-helix	trans	-57.4	-52	175.1	-177.6	-172.3	-177.5	170.7	0	110.8	D502 W613 L619 V620 Q621	D502-K617 IonicContact OD1-NZ 2.76Å; D502-K617 PolarHBondContact OD1-NZ 3.47Å; D502-K617 IonicContact OD2-NZ 3.62Å; D502-K617 PolarHBondContact OD2-NZ 3.42Å; W613-K617 HydrophobicContact CD2-CB 4.42Å; W613-K617 HydrophobicContact CE3-CB 4.31Å; W613-K617 HydrophobicContact CH2-CB 4.03Å; W613-K617 HydrophobicContact CH2-CD 4.08Å; W613-K617 HydrophobicContact CH2-CG 4.07Å; W613-K617 HydrophobicContact CZ2-CB 4.09Å; W613-K617 HydrophobicContact CZ2-CD 3.57Å; W613-K617 HydrophobicContact CZ2-CG 4.06Å; W613-K617 HydrophobicContact CZ3-CB 4.13Å; W613-K617 WeakPolarHBondContact O-CB 3.44Å; W613-K617 PolarHBondContact O-N 3.21Å; K617-L619 PolarHBondContact O-N 3.24Å; K617-V620 PolarHBondContact O-N 3Å; K617-Q621 HydrophobicContact CG-CG 4.48Å; K617-Q621 WeakPolarHBondContact O-CB 3.42Å; K617-Q621 WeakPolarHBondContact O-CG 3.36Å; K617-Q621 PolarHBondContact O-N 3.26Å
618	E	92.7	Very high	91.8	Very high	26 Å²	26	27.8 Å²	27.8	12%	0.121	14%	0.143	C	C	.	.	H	α-helix	trans	-64.4	-41.5	-177.5	-166.6	67.9	-170.8	0	0	111.6	L534 F566 L614 V615 V620 Q621 R622	L534-E618 HydrophobicContact CB-CG 4.38Å; L534-E618 HydrophobicContact CD2-CB 4.22Å; L534-E618 HydrophobicContact CD2-CG 4Å; F566-E618 HydrophobicContact CE1-CB 4.31Å; F566-E618 HydrophobicContact CE1-CG 3.7Å; F566-E618 HydrophobicContact CZ-CG 4.29Å; L614-E618 VanDerWaalsContact O-CB 3.31Å; L614-E618 WeakPolarHBondContact O-CB 3.5Å; L614-E618 PolarHBondContact O-N 2.79Å; V615-E618 PolarHBondContact O-N 3.46Å; E618-V620 PolarHBondContact O-N 2.68Å; E618-Q621 PolarHBondContact O-N 3.22Å; E618-R622 HydrophobicContact CG-CG 4.34Å; E618-R622 WeakPolarHBondContact O-CB 3.29Å; E618-R622 VanDerWaalsContact O-CG 3.28Å; E618-R622 WeakPolarHBondContact O-CG 3.44Å; E618-R622 PolarHBondContact O-N 3.49Å; E618-R622 IonicContact OE1-CZ 2.74Å; E618-R622 VanDerWaalsContact OE1-CZ 3.23Å; E618-R622 IonicContact OE1-NE 3.23Å; E618-R622 PolarHBondContact OE1-NE 3Å; E618-R622 IonicContact OE1-NH2 3.13Å; E618-R622 PolarHBondContact OE1-NH2 3.42Å
619	L	92.6	Very high	91.7	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-56.3	-50.7	174.6	-175.7	76.8	0	0	0	110.9	L562 F566 V593 I604 V615 V616 K617 F623	L562-L619 HydrophobicContact CD2-CD1 4.13Å; F566-L619 HydrophobicContact CE2-CD1 3.81Å; F566-L619 HydrophobicContact CZ-CB 4.41Å; F566-L619 HydrophobicContact CZ-CD1 4.28Å; V593-L619 HydrophobicContact CG1-CD1 4.28Å; V593-L619 HydrophobicContact CG1-CD2 4.47Å; I604-L619 HydrophobicContact CD1-CD2 3.95Å; I604-L619 HydrophobicContact CG1-CD2 4.33Å; V615-L619 VanDerWaalsContact O-CB 3.25Å; V615-L619 WeakPolarHBondContact O-CB 3.23Å; V615-L619 PolarHBondContact O-N 2.93Å; V616-L619 PolarHBondContact O-N 3.14Å; K617-L619 PolarHBondContact O-N 3.24Å; L619-F623 HydrophobicContact CD1-CD1 4.44Å; L619-F623 HydrophobicContact CD1-CE1 3.6Å; L619-F623 HydrophobicContact CD1-CE2 4.11Å; L619-F623 HydrophobicContact CD1-CZ 3.42Å; L619-F623 VanDerWaalsContact CD1-CZ 3.42Å; L619-F623 HydrophobicContact CD2-CE2 4.38Å; L619-F623 HydrophobicContact CD2-CZ 4.44Å; L619-F623 HydrophobicContact CG-CD2 4.49Å; L619-F623 HydrophobicContact CG-CE1 4.15Å; L619-F623 HydrophobicContact CG-CE2 3.99Å; L619-F623 HydrophobicContact CG-CZ 3.83Å; L619-F623 WeakPolarHBondContact O-CB 3.39Å; L619-F623 WeakPolarHBondContact O-CD1 3.47Å; L619-F623 VanDerWaalsContact O-CG 3.26Å; L619-F623 WeakPolarHBondContact O-CG 3.14Å; L619-F623 PolarHBondContact O-N 2.67Å
620	V	91.8	Very high	91.6	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.042	20%	0.197	C	C	.	.	H	α-helix	trans	-63.5	-46	-178.8	167.1	0	0	0	0	111.4	V616 K617 E618 F623 D624 K637	V616-V620 HydrophobicContact CG1-CG2 4.5Å; V616-V620 WeakPolarHBondContact O-CB 3.34Å; V616-V620 VanDerWaalsContact O-CG2 3.29Å; V616-V620 WeakPolarHBondContact O-CG2 3.45Å; V616-V620 PolarHBondContact O-N 3.12Å; K617-V620 PolarHBondContact O-N 3Å; E618-V620 PolarHBondContact O-N 2.68Å; V620-F623 PolarHBondContact O-N 3.26Å; V620-D624 PolarHBondContact O-N 2.85Å; V620-D624 VanDerWaalsContact O-N 3.12Å; V620-K637 HydrophobicContact CG1-CD 3.48Å; V620-K637 VanDerWaalsContact CG1-CD 3.48Å
621	Q	91.1	Very high	91.3	Very high	69 Å²	69	41.1 Å²	41.1	32%	0.322	22%	0.218	S	C	.	.	H	α-helix	trans	-65.8	-42.8	180	-73.4	-174.5	-10.4	0	0	112.3	K617 E618 F623 D624 Q625	K617-Q621 HydrophobicContact CG-CG 4.48Å; K617-Q621 WeakPolarHBondContact O-CB 3.42Å; K617-Q621 WeakPolarHBondContact O-CG 3.36Å; K617-Q621 PolarHBondContact O-N 3.26Å; E618-Q621 PolarHBondContact O-N 3.22Å; Q621-F623 VanDerWaalsContact C-N 3.34Å; Q621-F623 PolarHBondContact O-N 2.88Å; Q621-D624 PolarHBondContact O-N 3.37Å; Q621-Q625 WeakPolarHBondContact O-CG 3.3Å; Q621-Q625 PolarHBondContact O-N 3.41Å; Q621-Q625 VanDerWaalsContact O-N 3.07Å
622	R	91.6	Very high	91.2	Very high	33 Å²	33	42.7 Å²	42.7	13%	0.125	23%	0.226	C	C	.	.	H	α-helix	trans	-67.8	-33.7	177.8	-70.2	-172.9	-173.7	-160.6	9	112.4	I565 E568 E618 Q625 H626	I565-R622 HydrophobicContact CG2-CB 3.64Å; I565-R622 HydrophobicContact CG2-CG 4.32Å; I565-R622 PolarHBondContact O-NH1 3.03Å; E568-R622 IonicContact OE1-CZ 2.98Å; E568-R622 IonicContact OE1-NH1 3.62Å; E568-R622 PolarHBondContact OE1-NH1 2.8Å; E568-R622 IonicContact OE1-NH2 3.24Å; E568-R622 PolarHBondContact OE1-NH2 2.66Å; E568-R622 IonicContact OE2-NH1 2.68Å; E568-R622 PolarHBondContact OE2-NH1 3.22Å; E618-R622 HydrophobicContact CG-CG 4.34Å; E618-R622 WeakPolarHBondContact O-CB 3.29Å; E618-R622 VanDerWaalsContact O-CG 3.28Å; E618-R622 WeakPolarHBondContact O-CG 3.44Å; E618-R622 PolarHBondContact O-N 3.49Å; E618-R622 IonicContact OE1-CZ 2.74Å; E618-R622 VanDerWaalsContact OE1-CZ 3.23Å; E618-R622 IonicContact OE1-NE 3.23Å; E618-R622 PolarHBondContact OE1-NE 3Å; E618-R622 IonicContact OE1-NH2 3.13Å; E618-R622 PolarHBondContact OE1-NH2 3.42Å; R622-Q625 PolarHBondContact O-N 3.44Å; R622-H626 WeakPolarHBondContact O-CB 3.19Å; R622-H626 PolarHBondContact O-N 3.18Å
623	F	91.2	Very high	90.7	Very high	3 Å²	3	52.4 Å²	52.4	1%	0.013	27%	0.268	C	S	.	.	H	α-helix	trans	-64.6	-46.4	173.6	-75.9	6.8	0	0	0	111.6	T555 I565 Y602 L619 V620 Q621 Q625 H626 F627 F635	T555-F623 HydrophobicContact CG2-CD2 4.16Å; T555-F623 HydrophobicContact CG2-CE2 4.25Å; I565-F623 HydrophobicContact CD1-CD1 3.59Å; I565-F623 HydrophobicContact CD1-CE1 3.28Å; I565-F623 HydrophobicContact CD1-CZ 4.42Å; Y602-F623 HydrophobicContact CD1-CE2 4.24Å; Y602-F623 AromaticContact CD1-CZ 3.88Å; Y602-F623 HydrophobicContact CD1-CZ 3.88Å; Y602-F623 AromaticContact CD2-CE2 3.68Å; Y602-F623 HydrophobicContact CD2-CE2 3.68Å; Y602-F623 HydrophobicContact CD2-CZ 4.16Å; Y602-F623 HydrophobicContact CE1-CE2 4.01Å; Y602-F623 AromaticContact CE1-CZ 3.5Å; Y602-F623 HydrophobicContact CE1-CZ 3.5Å; Y602-F623 VanDerWaalsContact CE1-CZ 3.5Å; Y602-F623 HydrophobicContact CE2-CD2 4.48Å; Y602-F623 AromaticContact CE2-CE2 3.41Å; Y602-F623 HydrophobicContact CE2-CE2 3.41Å; Y602-F623 VanDerWaalsContact CE2-CE2 3.41Å; Y602-F623 AromaticContact CE2-CZ 3.81Å; Y602-F623 HydrophobicContact CE2-CZ 3.81Å; Y602-F623 HydrophobicContact CG-CE2 4.07Å; Y602-F623 HydrophobicContact CG-CZ 4.17Å; Y602-F623 AromaticContact CZ-CE2 3.55Å; Y602-F623 AromaticContact CZ-CZ 3.42Å; Y602-F623 VanDerWaalsContact CZ-CZ 3.42Å; L619-F623 HydrophobicContact CD1-CD1 4.44Å; L619-F623 HydrophobicContact CD1-CE1 3.6Å; L619-F623 HydrophobicContact CD1-CE2 4.11Å; L619-F623 HydrophobicContact CD1-CZ 3.42Å; L619-F623 VanDerWaalsContact CD1-CZ 3.42Å; L619-F623 HydrophobicContact CD2-CE2 4.38Å; L619-F623 HydrophobicContact CD2-CZ 4.44Å; L619-F623 HydrophobicContact CG-CD2 4.49Å; L619-F623 HydrophobicContact CG-CE1 4.15Å; L619-F623 HydrophobicContact CG-CE2 3.99Å; L619-F623 HydrophobicContact CG-CZ 3.83Å; L619-F623 WeakPolarHBondContact O-CB 3.39Å; L619-F623 WeakPolarHBondContact O-CD1 3.47Å; L619-F623 VanDerWaalsContact O-CG 3.26Å; L619-F623 WeakPolarHBondContact O-CG 3.14Å; L619-F623 PolarHBondContact O-N 2.67Å; V620-F623 PolarHBondContact O-N 3.26Å; Q621-F623 VanDerWaalsContact C-N 3.34Å; Q621-F623 PolarHBondContact O-N 2.88Å; F623-Q625 VanDerWaalsContact C-N 3.28Å; F623-Q625 PolarHBondContact O-N 2.91Å; F623-H626 PolarHBondContact O-N 2.86Å; F623-F627 HydrophobicContact CB-CD2 4.3Å; F623-F627 HydrophobicContact CB-CE2 4.36Å; F623-F627 VanDerWaalsContact O-CD2 3.22Å; F623-F627 WeakPolarHBondContact O-CD2 3.3Å; F623-F627 PolarHBondContact O-N 3.41Å; F623-F635 HydrophobicContact CB-CE1 3.94Å; F623-F635 HydrophobicContact CB-CZ 3.81Å; F623-F635 HydrophobicContact CD2-CZ 4.19Å; F623-F635 HydrophobicContact CG-CZ 4.47Å
624	D	89.7	Confident	90.2	Very high	62 Å²	62	56.7 Å²	56.7	33%	0.332	29%	0.292	S	S	.	.	H	α-helix	trans	-56.1	-46.2	175.4	-65.5	-24.9	0	0	0	110.7	V620 Q621 S628 F635 K637	V620-D624 PolarHBondContact O-N 2.85Å; V620-D624 VanDerWaalsContact O-N 3.12Å; Q621-D624 PolarHBondContact O-N 3.37Å; D624-S628 WeakPolarHBondContact O-CB 3.29Å; D624-S628 PolarHBondContact O-N 3.44Å; D624-F635 WeakPolarHBondContact OD1-CE1 3.43Å; D624-K637 IonicContact OD1-NZ 2.88Å; D624-K637 PolarHBondContact OD1-NZ 2.94Å; D624-K637 IonicContact OD2-NZ 3.84Å; D624-K637 PolarHBondContact OD2-NZ 3.08Å
625	Q	89.4	Confident	89.9	Confident	108 Å²	108	58 Å²	58	51%	0.505	30%	0.297	S	S	.	.	H	α-helix	trans	-65.3	-42.3	177.8	-68.6	175.7	21	0	0	112.9	Q621 R622 F623 K629	Q621-Q625 WeakPolarHBondContact O-CG 3.3Å; Q621-Q625 PolarHBondContact O-N 3.41Å; Q621-Q625 VanDerWaalsContact O-N 3.07Å; R622-Q625 PolarHBondContact O-N 3.44Å; F623-Q625 VanDerWaalsContact C-N 3.28Å; F623-Q625 PolarHBondContact O-N 2.91Å; Q625-K629 WeakPolarHBondContact O-CB 3.47Å; Q625-K629 VanDerWaalsContact O-CG 3.23Å; Q625-K629 WeakPolarHBondContact O-CG 3.47Å; Q625-K629 PolarHBondContact O-N 3.43Å
626	H	89.6	Confident	89.6	Confident	59 Å²	59	65 Å²	65	27%	0.273	33%	0.327	S	S	.	.	H	α-helix	trans	-64.9	-50.8	-178.8	176.7	-95.3	0	0	0	111.4	R622 F623 K629 L630	R622-H626 WeakPolarHBondContact O-CB 3.19Å; R622-H626 PolarHBondContact O-N 3.18Å; F623-H626 PolarHBondContact O-N 2.86Å; H626-K629 WeakPolarHBondContact O-CB 3.43Å; H626-K629 PolarHBondContact O-N 3.43Å; H626-L630 WeakPolarHBondContact CE1-CD1 3.33Å; H626-L630 WeakPolarHBondContact O-CG 3.28Å; H626-L630 PolarHBondContact O-N 3.46Å; H626-L630 VanDerWaalsContact O-N 3.1Å
627	F	89.5	Confident	89.4	Confident	7 Å²	7	67.9 Å²	67.9	3%	0.031	34%	0.34	C	S	.	.	H	α-helix	trans	-71.5	-31.9	-179.8	-70.1	-60.9	0	0	0	112.6	Q557 V560 F623 L630 G631 I632 F635	Q557-F627 HydrophobicContact CB-CE1 3.78Å; Q557-F627 HydrophobicContact CB-CE2 4.23Å; Q557-F627 HydrophobicContact CB-CZ 3.59Å; Q557-F627 HydrophobicContact CG-CD1 4.33Å; Q557-F627 HydrophobicContact CG-CE1 4.04Å; Q557-F627 HydrophobicContact CG-CZ 4.17Å; V560-F627 HydrophobicContact CG2-CE1 4.11Å; V560-F627 HydrophobicContact CG2-CE2 4.2Å; V560-F627 HydrophobicContact CG2-CZ 3.46Å; V560-F627 VanDerWaalsContact CG2-CZ 3.46Å; F623-F627 HydrophobicContact CB-CD2 4.3Å; F623-F627 HydrophobicContact CB-CE2 4.36Å; F623-F627 VanDerWaalsContact O-CD2 3.22Å; F623-F627 WeakPolarHBondContact O-CD2 3.3Å; F623-F627 PolarHBondContact O-N 3.41Å; F627-L630 HydrophobicContact CD1-CD1 4.2Å; F627-L630 CarbonylContact O-C 3.44Å; F627-L630 PolarHBondContact O-N 3.38Å; F627-G631 PolarHBondContact O-N 2.49Å; F627-I632 HydrophobicContact CB-CB 4.31Å; F627-I632 HydrophobicContact CD1-CD1 3.82Å; F627-I632 HydrophobicContact CE1-CD1 4.43Å; F627-I632 PolarHBondContact O-N 2.82Å; F627-F635 HydrophobicContact CB-CB 4.27Å; F627-F635 HydrophobicContact CB-CD2 4.45Å; F627-F635 HydrophobicContact CB-CG 4.21Å; F627-F635 HydrophobicContact CD2-CD1 4.19Å; F627-F635 AromaticContact CD2-CD2 3.5Å; F627-F635 HydrophobicContact CD2-CD2 3.5Å; F627-F635 HydrophobicContact CD2-CE1 4.11Å; F627-F635 AromaticContact CD2-CE2 3.41Å; F627-F635 HydrophobicContact CD2-CE2 3.41Å; F627-F635 VanDerWaalsContact CD2-CE2 3.41Å; F627-F635 AromaticContact CD2-CG 3.91Å; F627-F635 HydrophobicContact CD2-CG 3.91Å; F627-F635 AromaticContact CD2-CZ 3.73Å; F627-F635 HydrophobicContact CD2-CZ 3.73Å; F627-F635 AromaticContact CE2-CD2 3.89Å; F627-F635 HydrophobicContact CE2-CD2 3.89Å; F627-F635 AromaticContact CE2-CE2 3.41Å; F627-F635 HydrophobicContact CE2-CE2 3.41Å; F627-F635 VanDerWaalsContact CE2-CE2 3.41Å; F627-F635 AromaticContact CE2-CZ 3.87Å; F627-F635 HydrophobicContact CE2-CZ 3.87Å; F627-F635 HydrophobicContact CG-CD2 4.05Å; F627-F635 HydrophobicContact CG-CE2 4.38Å; F627-F635 HydrophobicContact CG-CG 4.29Å; F627-F635 HydrophobicContact CZ-CE2 4.36Å
628	S	89.6	Confident	89.3	Confident	86 Å²	86	69.1 Å²	69.1	60%	0.601	35%	0.352	S	S	*	.	H	α-helix	trans	-62.1	-42.8	170	-178.4	0	0	0	0	112	D624 L630 G631	D624-S628 WeakPolarHBondContact O-CB 3.29Å; D624-S628 PolarHBondContact O-N 3.44Å; S628-L630 VanDerWaalsContact C-N 3.27Å; S628-L630 PolarHBondContact O-N 3.02Å; S628-G631 PolarHBondContact O-N 2.64Å
629	K	89	Confident	89.3	Confident	175 Å²	175	68.4 Å²	68.4	76%	0.761	35%	0.349	S	S	*	.	H	α-helix	trans	-63.3	-31.5	174.3	-76.1	171.3	-176.5	174.7	0	113	Q625 H626 G631	Q625-K629 WeakPolarHBondContact O-CB 3.47Å; Q625-K629 VanDerWaalsContact O-CG 3.23Å; Q625-K629 WeakPolarHBondContact O-CG 3.47Å; Q625-K629 PolarHBondContact O-N 3.43Å; H626-K629 WeakPolarHBondContact O-CB 3.43Å; H626-K629 PolarHBondContact O-N 3.43Å; K629-G631 PolarHBondContact O-N 3.16Å
630	L	88	Confident	89	Confident	108 Å²	108	72 Å²	72	57%	0.565	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-1.4	173.2	-68.4	173.5	0	0	0	113.5	H626 F627 S628 I632	H626-L630 WeakPolarHBondContact CE1-CD1 3.33Å; H626-L630 WeakPolarHBondContact O-CG 3.28Å; H626-L630 PolarHBondContact O-N 3.46Å; H626-L630 VanDerWaalsContact O-N 3.1Å; F627-L630 HydrophobicContact CD1-CD1 4.2Å; F627-L630 CarbonylContact O-C 3.44Å; F627-L630 PolarHBondContact O-N 3.38Å; S628-L630 VanDerWaalsContact C-N 3.27Å; S628-L630 PolarHBondContact O-N 3.02Å; L630-I632 VanDerWaalsContact C-N 3.33Å; L630-I632 HydrophobicContact CB-CG1 4.32Å
631	G	86.8	Confident	88.7	Confident	57 Å²	57	72.7 Å²	72.7	59%	0.588	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	9	178.6	0	0	0	0	0	115	F627 S628 K629 K633	F627-G631 PolarHBondContact O-N 2.49Å; S628-G631 PolarHBondContact O-N 2.64Å; K629-G631 PolarHBondContact O-N 3.16Å; G631-K633 PolarHBondContact O-N 3.32Å
632	I	88.4	Confident	88.6	Confident	47 Å²	47	75.2 Å²	75.2	24%	0.241	41%	0.405	C	S	.	.			trans	-79.6	112.9	178.8	-56	-172.3	0	0	0	108.8	F627 L630 D634 F635	F627-I632 HydrophobicContact CB-CB 4.31Å; F627-I632 HydrophobicContact CD1-CD1 3.82Å; F627-I632 HydrophobicContact CE1-CD1 4.43Å; F627-I632 PolarHBondContact O-N 2.82Å; L630-I632 VanDerWaalsContact C-N 3.33Å; L630-I632 HydrophobicContact CB-CG1 4.32Å; I632-D634 WeakPolarHBondContact CG2-OD1 3.34Å; I632-F635 HydrophobicContact CG2-CB 4.48Å
633	K	82.1	Confident	88.5	Confident	206 Å²	206	75.5 Å²	75.5	90%	0.896	41%	0.408	S	S	*	.	S	Bend	trans	-93.8	-16.5	-177.6	-66	-173	179.3	-177.9	0	113.9	G631	G631-K633 PolarHBondContact O-N 3.32Å
634	D	85.6	Confident	88.5	Confident	101 Å²	101	76.2 Å²	76.2	54%	0.54	41%	0.413	S	S	.	.			trans	-103.2	23	-175.1	67.5	-37.7	0	0	0	113.1	N556 I632 K636	N556-D634 PolarHBondContact ND2-O 3.38Å; I632-D634 WeakPolarHBondContact CG2-OD1 3.34Å; D634-K636 PolarHBondContact O-N 3.38Å
635	F	87.4	Confident	88.7	Confident	35 Å²	35	75 Å²	75	15%	0.154	41%	0.407	C	S	.	.			trans	-62.1	128.1	175.6	179.7	-119.1	0	0	0	111.1	T555 Q557 F623 D624 F627 I632 K637	T555-F635 HydrophobicContact CG2-CE2 3.96Å; T555-F635 HydrophobicContact CG2-CZ 3.95Å; Q557-F635 HydrophobicContact CB-CD2 4.37Å; Q557-F635 HydrophobicContact CB-CE2 4.44Å; Q557-F635 HydrophobicContact CG-CD2 3.75Å; Q557-F635 HydrophobicContact CG-CE2 4.3Å; F623-F635 HydrophobicContact CB-CE1 3.94Å; F623-F635 HydrophobicContact CB-CZ 3.81Å; F623-F635 HydrophobicContact CD2-CZ 4.19Å; F623-F635 HydrophobicContact CG-CZ 4.47Å; D624-F635 WeakPolarHBondContact OD1-CE1 3.43Å; F627-F635 HydrophobicContact CB-CB 4.27Å; F627-F635 HydrophobicContact CB-CD2 4.45Å; F627-F635 HydrophobicContact CB-CG 4.21Å; F627-F635 HydrophobicContact CD2-CD1 4.19Å; F627-F635 AromaticContact CD2-CD2 3.5Å; F627-F635 HydrophobicContact CD2-CD2 3.5Å; F627-F635 HydrophobicContact CD2-CE1 4.11Å; F627-F635 AromaticContact CD2-CE2 3.41Å; F627-F635 HydrophobicContact CD2-CE2 3.41Å; F627-F635 VanDerWaalsContact CD2-CE2 3.41Å; F627-F635 AromaticContact CD2-CG 3.91Å; F627-F635 HydrophobicContact CD2-CG 3.91Å; F627-F635 AromaticContact CD2-CZ 3.73Å; F627-F635 HydrophobicContact CD2-CZ 3.73Å; F627-F635 AromaticContact CE2-CD2 3.89Å; F627-F635 HydrophobicContact CE2-CD2 3.89Å; F627-F635 AromaticContact CE2-CE2 3.41Å; F627-F635 HydrophobicContact CE2-CE2 3.41Å; F627-F635 VanDerWaalsContact CE2-CE2 3.41Å; F627-F635 AromaticContact CE2-CZ 3.87Å; F627-F635 HydrophobicContact CE2-CZ 3.87Å; F627-F635 HydrophobicContact CG-CD2 4.05Å; F627-F635 HydrophobicContact CG-CE2 4.38Å; F627-F635 HydrophobicContact CG-CG 4.29Å; F627-F635 HydrophobicContact CZ-CE2 4.36Å; I632-F635 HydrophobicContact CG2-CB 4.48Å; F635-K637 HydrophobicContact CE1-CD 4.49Å
636	K	86.7	Confident	88.9	Confident	147 Å²	147	77.5 Å²	77.5	64%	0.639	42%	0.418	S	S	*	.			trans	-129.7	137.6	178.3	-67.7	-175.9	-177.8	-179.8	0	110.2	T555 N556 D634	T555-K636 WeakPolarHBondContact CA-O 3.22Å; N556-K636 HydrophobicContact CB-CB 4.4Å; N556-K636 PolarHBondContact N-O 2.87Å; N556-K636 VanDerWaalsContact N-O 3.08Å; N556-K636 PolarHBondContact OD1-N 3.34Å; N556-K636 PolarHBondContact OD1-O 2.79Å; D634-K636 PolarHBondContact O-N 3.38Å
637	K	90.6	Very high	89	Confident	60 Å²	60	77.5 Å²	77.5	26%	0.261	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.6	177.7	46.9	-178	-176.8	-157	0	108	D554 V620 D624 F635 L743	D554-K637 CarbonylContact O-C 3.6Å; D554-K637 WeakPolarHBondContact O-CA 3.45Å; V620-K637 HydrophobicContact CG1-CD 3.48Å; V620-K637 VanDerWaalsContact CG1-CD 3.48Å; D624-K637 IonicContact OD1-NZ 2.88Å; D624-K637 PolarHBondContact OD1-NZ 2.94Å; D624-K637 IonicContact OD2-NZ 3.84Å; D624-K637 PolarHBondContact OD2-NZ 3.08Å; F635-K637 HydrophobicContact CE1-CD 4.49Å; K637-L743 HydrophobicContact CB-CD2 3.95Å; K637-L743 HydrophobicContact CD-CD2 3.66Å; K637-L743 HydrophobicContact CG-CD2 3.48Å; K637-L743 VanDerWaalsContact CG-CD2 3.48Å
638	S	91.9	Very high	89.3	Confident	54 Å²	54	77.1 Å²	77.1	38%	0.378	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	153.6	-177.3	51.3	0	0	0	0	111.3	D554 L743	D554-S638 WeakPolarHBondContact CB-O 3.44Å; D554-S638 PolarHBondContact N-O 2.81Å; D554-S638 PolarHBondContact O-N 2.8Å; S638-L743 WeakPolarHBondContact CA-O 3.24Å
639	F	92.6	Very high	89.6	Confident	11 Å²	11	74.6 Å²	74.6	5%	0.048	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.5	172.5	173.4	-107.2	0	0	0	108.5	I551 T552 G641 P642 M643 L740 L743 W744	I551-F639 HydrophobicContact CG2-CD2 4.3Å; I551-F639 HydrophobicContact CG2-CE2 4Å; T552-F639 VanDerWaalsContact O-CD2 3.29Å; T552-F639 WeakPolarHBondContact O-CD2 3.14Å; F639-G641 WeakPolarHBondContact CE1-O 3.46Å; F639-G641 VanDerWaalsContact CZ-CA 3.48Å; F639-P642 WeakPolarHBondContact CZ-O 3.47Å; F639-M643 HydrophobicContact CE1-SD 4.48Å; F639-L740 HydrophobicContact CB-CD2 4.39Å; F639-L740 HydrophobicContact CD1-CB 4.33Å; F639-L740 HydrophobicContact CD1-CD2 4.17Å; F639-L740 HydrophobicContact CD2-CD2 3.68Å; F639-L740 HydrophobicContact CE1-CB 4.49Å; F639-L740 HydrophobicContact CE1-CD2 4.35Å; F639-L740 HydrophobicContact CE2-CD2 3.91Å; F639-L740 HydrophobicContact CG-CD2 3.82Å; F639-L740 HydrophobicContact CZ-CD1 4.47Å; F639-L740 HydrophobicContact CZ-CD2 4.23Å; F639-L743 HydrophobicContact CB-CB 3.81Å; F639-L743 PolarHBondContact N-O 3.39Å; F639-W744 HydrophobicContact CD1-CB 4.3Å
640	S	85.5	Confident	89.9	Confident	76 Å²	76	72.3 Å²	72.3	53%	0.531	39%	0.391	S	S	.	.			trans	-109.2	4.5	-178.2	58	0	0	0	0	113.9	D554	D554-S640 WeakPolarHBondContact OD2-CB 3.27Å; D554-S640 PolarHBondContact OD2-OG 2.84Å
641	G	85.6	Confident	90.3	Very high	23 Å²	23	68 Å²	68	24%	0.237	37%	0.369	C	S	.	.	S	Bend	trans	-82	169.1	179.4	0	0	0	0	0	114.1	F639	F639-G641 WeakPolarHBondContact CE1-O 3.46Å; F639-G641 VanDerWaalsContact CZ-CA 3.48Å
642	P	89	Confident	90.7	Very high	121 Å²	121	65.3 Å²	65.3	79%	0.786	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-68.5	149.7	169.4	31	-34.4	0	0	0	110.7	F639	F639-P642 WeakPolarHBondContact CZ-O 3.47Å
643	M	89.9	Confident	91.2	Very high	39 Å²	39	65.5 Å²	65.5	19%	0.192	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-70.8	127	178.1	-150.8	66.9	176.3	0	0	111	F639 L645 L737 L740 L741	F639-M643 HydrophobicContact CE1-SD 4.48Å; M643-L645 HydrophobicContact CB-CG 4.25Å; M643-L645 HydrophobicContact CG-CD2 4.39Å; M643-L645 HydrophobicContact CG-CG 4.25Å; M643-L645 PolarHBondContact O-N 2.93Å; M643-L737 HydrophobicContact CE-CD1 3.4Å; M643-L737 VanDerWaalsContact CE-CD1 3.4Å; M643-L737 HydrophobicContact CE-CG 3.9Å; M643-L737 WeakPolarHBondContact CE-O 3.16Å; M643-L737 HydrophobicContact CG-CD1 3.84Å; M643-L737 HydrophobicContact SD-CD1 4.42Å; M643-L740 HydrophobicContact CE-CB 3.64Å; M643-L740 HydrophobicContact SD-CB 4.05Å; M643-L741 HydrophobicContact CE-CB 4.1Å; M643-L741 HydrophobicContact CE-CD1 4.45Å; M643-L741 HydrophobicContact CE-CD2 3.37Å; M643-L741 HydrophobicContact CE-CG 3.3Å; M643-L741 HydrophobicContact SD-CD2 4.11Å
644	P	92.4	Very high	91.8	Very high	19 Å²	19	59.5 Å²	59.5	12%	0.123	32%	0.321	C	S	.	.			trans	-79.4	58.7	-175.9	33.8	-37.3	0	0	0	112.2	F609 E647 Y648 L740	F609-P644 HydrophobicContact CE2-CB 3.57Å; F609-P644 HydrophobicContact CE2-CG 3.56Å; F609-P644 HydrophobicContact CZ-CB 3.88Å; F609-P644 HydrophobicContact CZ-CG 3.56Å; P644-E647 WeakPolarHBondContact CA-OE2 3.43Å; P644-Y648 WeakPolarHBondContact O-CB 3.38Å; P644-Y648 PolarHBondContact O-N 3.38Å; P644-L740 HydrophobicContact CG-CD1 3.75Å
645	L	93.6	Very high	92.3	Very high	36 Å²	36	54.7 Å²	54.7	19%	0.188	30%	0.295	C	S	.	.	H	α-helix	trans	-70.9	-30.5	-177.1	-70.3	177.2	0	0	0	112.7	M643 F649 L737 I819 A820	M643-L645 HydrophobicContact CB-CG 4.25Å; M643-L645 HydrophobicContact CG-CD2 4.39Å; M643-L645 HydrophobicContact CG-CG 4.25Å; M643-L645 PolarHBondContact O-N 2.93Å; L645-F649 HydrophobicContact CB-CD2 4.49Å; L645-F649 HydrophobicContact CB-CE2 4.09Å; L645-F649 HydrophobicContact CB-CZ 4.38Å; L645-F649 HydrophobicContact CD2-CZ 4.3Å; L645-F649 WeakPolarHBondContact O-CB 3.39Å; L645-F649 WeakPolarHBondContact O-CD2 3.48Å; L645-F649 WeakPolarHBondContact O-CG 3.45Å; L645-F649 PolarHBondContact O-N 2.58Å; L645-L737 HydrophobicContact CD2-CD1 3.92Å; L645-I819 HydrophobicContact CD2-CG2 4.4Å; L645-A820 HydrophobicContact CD1-CB 4.24Å
646	Q	93.1	Very high	92.8	Very high	160 Å²	160	53.4 Å²	53.4	75%	0.748	29%	0.289	S	S	*	.	H	α-helix	trans	-67.8	-47.1	-177.7	-178.2	173.8	1.2	0	0	111.1	F649 L650	Q646-F649 PolarHBondContact O-N 3.47Å; Q646-L650 PolarHBondContact O-N 3.03Å
647	E	92.5	Very high	93.2	Very high	59 Å²	59	51.5 Å²	51.5	28%	0.276	28%	0.283	S	S	.	.	H	α-helix	trans	-63.5	-45.3	176.4	-63.9	73.3	-163.1	0	0	110.5	F549 F609 P644 F649 L650 S651	F549-E647 HydrophobicContact CD1-CG 3.74Å; F549-E647 HydrophobicContact CE1-CB 4.36Å; F549-E647 HydrophobicContact CE1-CG 3.3Å; F549-E647 HydrophobicContact CZ-CG 4.18Å; F609-E647 HydrophobicContact CB-CB 4.36Å; F609-E647 HydrophobicContact CD1-CB 4.19Å; F609-E647 HydrophobicContact CD2-CB 4.04Å; F609-E647 HydrophobicContact CD2-CG 4.47Å; F609-E647 HydrophobicContact CE2-CB 4.43Å; F609-E647 HydrophobicContact CG-CB 3.92Å; P644-E647 WeakPolarHBondContact CA-OE2 3.43Å; E647-F649 VanDerWaalsContact C-N 3.33Å; E647-F649 PolarHBondContact O-N 2.83Å; E647-L650 WeakPolarHBondContact O-CB 3.44Å; E647-L650 PolarHBondContact O-N 3.32Å; E647-L650 VanDerWaalsContact O-N 3.16Å; E647-S651 PolarHBondContact O-N 2.84Å
648	Y	95.2	Very high	93.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-57.9	-44.1	176.2	177.8	-112.8	0	0	0	112.7	P644 L650 S651 V652 L730 T734 L737 W771 I819	P644-Y648 WeakPolarHBondContact O-CB 3.38Å; P644-Y648 PolarHBondContact O-N 3.38Å; Y648-L650 VanDerWaalsContact C-N 3.26Å; Y648-L650 PolarHBondContact O-N 3.47Å; Y648-S651 WeakPolarHBondContact O-CB 3.32Å; Y648-S651 PolarHBondContact O-N 3.05Å; Y648-V652 HydrophobicContact CD1-CG2 4.43Å; Y648-V652 HydrophobicContact CE1-CG2 4.01Å; Y648-V652 HydrophobicContact CE2-CG2 4.5Å; Y648-V652 PolarHBondContact O-N 2.81Å; Y648-L730 HydrophobicContact CE2-CD1 4.03Å; Y648-T734 VanDerWaalsContact CE2-OG1 3.29Å; Y648-T734 WeakPolarHBondContact CE2-OG1 3.33Å; Y648-T734 PolarHBondContact OH-OG1 2.9Å; Y648-L737 HydrophobicContact CD1-CD2 3.92Å; Y648-L737 HydrophobicContact CE1-CD2 3.8Å; Y648-L737 HydrophobicContact CE2-CD2 4.42Å; Y648-L737 HydrophobicContact CG-CD2 4.27Å; Y648-W771 WeakPolarHBondContact OH-CH2 3.12Å; Y648-W771 VanDerWaalsContact OH-CZ2 3.23Å; Y648-W771 WeakPolarHBondContact OH-CZ2 3.39Å; Y648-I819 HydrophobicContact CE1-CD1 3.98Å; Y648-I819 HydrophobicContact CE1-CG2 4.22Å
649	F	96.4	Very high	93.6	Very high	33 Å²	33	48.1 Å²	48.1	15%	0.145	26%	0.262	C	S	.	.	H	α-helix	trans	-68.9	-22.3	179.6	-69.6	-22	0	0	0	113.9	L645 Q646 E647 V652 D653 K816 I819 A820	L645-F649 HydrophobicContact CB-CD2 4.49Å; L645-F649 HydrophobicContact CB-CE2 4.09Å; L645-F649 HydrophobicContact CB-CZ 4.38Å; L645-F649 HydrophobicContact CD2-CZ 4.3Å; L645-F649 WeakPolarHBondContact O-CB 3.39Å; L645-F649 WeakPolarHBondContact O-CD2 3.48Å; L645-F649 WeakPolarHBondContact O-CG 3.45Å; L645-F649 PolarHBondContact O-N 2.58Å; Q646-F649 PolarHBondContact O-N 3.47Å; E647-F649 VanDerWaalsContact C-N 3.33Å; E647-F649 PolarHBondContact O-N 2.83Å; F649-V652 PolarHBondContact O-N 2.89Å; F649-D653 PolarHBondContact O-N 2.83Å; F649-K816 HydrophobicContact CB-CD 3.97Å; F649-K816 HydrophobicContact CB-CG 4.34Å; F649-K816 HydrophobicContact CD1-CB 4.15Å; F649-K816 HydrophobicContact CD1-CD 4.2Å; F649-K816 HydrophobicContact CD1-CG 3.61Å; F649-K816 HydrophobicContact CD2-CB 4.15Å; F649-K816 HydrophobicContact CD2-CD 4.08Å; F649-K816 HydrophobicContact CD2-CG 4.11Å; F649-K816 HydrophobicContact CE1-CB 3.91Å; F649-K816 HydrophobicContact CE1-CG 3.85Å; F649-K816 HydrophobicContact CE2-CB 3.92Å; F649-K816 HydrophobicContact CE2-CG 4.33Å; F649-K816 HydrophobicContact CG-CB 4.27Å; F649-K816 HydrophobicContact CG-CD 3.83Å; F649-K816 HydrophobicContact CG-CG 3.75Å; F649-K816 HydrophobicContact CZ-CB 3.8Å; F649-K816 HydrophobicContact CZ-CG 4.21Å; F649-K816 VanDerWaalsContact CZ-O 3.23Å; F649-K816 WeakPolarHBondContact CZ-O 3.2Å; F649-I819 HydrophobicContact CE1-CB 4.13Å; F649-I819 HydrophobicContact CE1-CG2 4.08Å; F649-I819 HydrophobicContact CZ-CB 4.36Å; F649-I819 HydrophobicContact CZ-CG2 4.38Å; F649-A820 HydrophobicContact CZ-CB 4.34Å
650	L	95.5	Very high	93.7	Very high	127 Å²	127	49.3 Å²	49.3	67%	0.665	27%	0.269	S	S	*	.	H	α-helix	trans	-66.7	-42	170.9	-165.2	79.4	0	0	0	111	Q646 E647 Y648 V652 D653 N654	Q646-L650 PolarHBondContact O-N 3.03Å; E647-L650 WeakPolarHBondContact O-CB 3.44Å; E647-L650 PolarHBondContact O-N 3.32Å; E647-L650 VanDerWaalsContact O-N 3.16Å; Y648-L650 VanDerWaalsContact C-N 3.26Å; Y648-L650 PolarHBondContact O-N 3.47Å; L650-V652 VanDerWaalsContact C-N 3.33Å; L650-V652 PolarHBondContact O-N 3Å; L650-D653 PolarHBondContact O-N 2.71Å; L650-N654 WeakPolarHBondContact O-CB 3.2Å; L650-N654 PolarHBondContact O-N 3.34Å
651	S	94.9	Very high	94.2	Very high	17 Å²	17	47.3 Å²	47.3	12%	0.119	26%	0.256	C	S	.	.	H	α-helix	trans	-63.5	-39.7	174.9	-57.1	0	0	0	0	111.8	E647 Y648 H655 S733	E647-S651 PolarHBondContact O-N 2.84Å; Y648-S651 WeakPolarHBondContact O-CB 3.32Å; Y648-S651 PolarHBondContact O-N 3.05Å; S651-H655 WeakPolarHBondContact O-CB 3.43Å; S651-H655 PolarHBondContact O-N 2.92Å; S651-H655 VanDerWaalsContact O-N 3.13Å; S651-S733 PolarHBondContact OG-OG 3.3Å
652	V	96.5	Very high	94.6	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-46	174.3	172.8	0	0	0	0	111.5	Y648 F649 L650 F656 L730 W771 T812 L815	Y648-V652 HydrophobicContact CD1-CG2 4.43Å; Y648-V652 HydrophobicContact CE1-CG2 4.01Å; Y648-V652 HydrophobicContact CE2-CG2 4.5Å; Y648-V652 PolarHBondContact O-N 2.81Å; F649-V652 PolarHBondContact O-N 2.89Å; L650-V652 VanDerWaalsContact C-N 3.33Å; L650-V652 PolarHBondContact O-N 3Å; V652-F656 WeakPolarHBondContact O-CB 3.42Å; V652-F656 PolarHBondContact O-N 3.43Å; V652-L730 HydrophobicContact CG2-CD1 3.65Å; V652-W771 HydrophobicContact CB-CZ3 4.4Å; V652-W771 HydrophobicContact CG1-CZ3 3.92Å; V652-W771 HydrophobicContact CG2-CH2 3.7Å; V652-W771 HydrophobicContact CG2-CZ3 3.79Å; V652-T812 HydrophobicContact CG1-CG2 4.04Å; V652-L815 HydrophobicContact CG1-CD2 4.29Å
653	D	97.2	Very high	94.8	Very high	50 Å²	50	46.3 Å²	46.3	27%	0.267	24%	0.24	S	C	.	.	H	α-helix	trans	-63.4	-45.5	178.1	-79.4	-31.5	0	0	0	112.6	F649 L650 H655 F656 Q657 T812 K816	F649-D653 PolarHBondContact O-N 2.83Å; L650-D653 PolarHBondContact O-N 2.71Å; D653-H655 VanDerWaalsContact C-N 3.32Å; D653-H655 PolarHBondContact O-N 2.84Å; D653-F656 PolarHBondContact O-N 2.79Å; D653-Q657 VanDerWaalsContact O-CG 3.3Å; D653-Q657 WeakPolarHBondContact O-CG 3.3Å; D653-Q657 PolarHBondContact O-N 3.01Å; D653-T812 PolarHBondContact OD1-OG1 3.03Å; D653-K816 VanDerWaalsContact OD1-CE 3.29Å; D653-K816 WeakPolarHBondContact OD1-CE 3.34Å; D653-K816 IonicContact OD1-NZ 2.83Å; D653-K816 PolarHBondContact OD1-NZ 3.33Å; D653-K816 IonicContact OD2-NZ 3.67Å; D653-K816 PolarHBondContact OD2-NZ 2.87Å
654	N	96.3	Very high	95.1	Very high	80 Å²	80	49.7 Å²	49.7	43%	0.428	26%	0.255	S	S	.	.	H	α-helix	trans	-59	-46	-179.5	-176.9	46	0	0	0	111.4	L650 Q657 L658	L650-N654 WeakPolarHBondContact O-CB 3.2Å; L650-N654 PolarHBondContact O-N 3.34Å; N654-Q657 PolarHBondContact O-N 3.27Å; N654-L658 PolarHBondContact O-N 3.23Å
655	H	96.3	Very high	95.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.2	-50	175.4	179.7	-99.3	0	0	0	112.2	S651 D653 Q657 L658 R659 F727 L730 D765 E772	S651-H655 WeakPolarHBondContact O-CB 3.43Å; S651-H655 PolarHBondContact O-N 2.92Å; S651-H655 VanDerWaalsContact O-N 3.13Å; D653-H655 VanDerWaalsContact C-N 3.32Å; D653-H655 PolarHBondContact O-N 2.84Å; H655-Q657 VanDerWaalsContact C-N 3.34Å; H655-Q657 PolarHBondContact O-N 3.03Å; H655-L658 PolarHBondContact O-N 2.86Å; H655-R659 PolarHBondContact O-N 3.14Å; H655-F727 AromaticContact NE2-CD2 3.36Å; H655-F727 WeakPolarHBondContact NE2-CD2 3.32Å; H655-F727 AromaticContact NE2-CG 3.88Å; H655-L730 HydrophobicContact CB-CD2 3.97Å; H655-D765 IonicContact CE1-OD2 2.62Å; H655-D765 PolarHBondContact CE1-OD2 3.15Å; H655-D765 IonicContact NE2-OD2 2.96Å; H655-D765 PolarHBondContact NE2-OD2 2.99Å; H655-E772 IonicContact CE1-OE1 3.24Å; H655-E772 IonicContact CE1-OE2 2.83Å; H655-E772 IonicContact CG-OE1 2.57Å; H655-E772 IonicContact ND1-OE1 2.75Å; H655-E772 PolarHBondContact ND1-OE1 2.95Å; H655-E772 IonicContact ND1-OE2 3.23Å
656	F	96.2	Very high	95.2	Very high	9 Å²	9	56.2 Å²	56.2	4%	0.039	28%	0.28	C	S	.	.	H	α-helix	trans	-59.8	-41.6	179.7	178.5	-105.5	0	0	0	112.6	V652 D653 L658 R659 V660 E772 L808 P809 T812	V652-F656 WeakPolarHBondContact O-CB 3.42Å; V652-F656 PolarHBondContact O-N 3.43Å; D653-F656 PolarHBondContact O-N 2.79Å; F656-L658 VanDerWaalsContact C-N 3.32Å; F656-L658 PolarHBondContact O-N 2.79Å; F656-R659 WeakPolarHBondContact O-CB 3.46Å; F656-R659 PolarHBondContact O-N 2.97Å; F656-V660 HydrophobicContact CD1-CG2 4.19Å; F656-V660 HydrophobicContact CE1-CG2 3.72Å; F656-V660 HydrophobicContact CE2-CG2 4.07Å; F656-V660 HydrophobicContact CZ-CG2 3.64Å; F656-V660 WeakPolarHBondContact O-CG2 3.39Å; F656-V660 PolarHBondContact O-N 3.37Å; F656-E772 WeakPolarHBondContact CA-OE1 2.96Å; F656-E772 WeakPolarHBondContact CB-OE1 3.06Å; F656-E772 HydrophobicContact CD2-CG 4.21Å; F656-E772 PolarHBondContact N-OE1 3.41Å; F656-L808 HydrophobicContact CE2-CD1 4.19Å; F656-L808 HydrophobicContact CE2-CG 4.32Å; F656-P809 HydrophobicContact CD2-CG 4.46Å; F656-P809 HydrophobicContact CE2-CG 3.9Å; F656-P809 VanDerWaalsContact CE2-O 3.28Å; F656-P809 WeakPolarHBondContact CE2-O 3.41Å; F656-P809 VanDerWaalsContact CZ-O 3.23Å; F656-P809 WeakPolarHBondContact CZ-O 3.43Å; F656-T812 HydrophobicContact CB-CG2 3.54Å; F656-T812 HydrophobicContact CD1-CG2 3.72Å; F656-T812 HydrophobicContact CD2-CG2 4.1Å; F656-T812 HydrophobicContact CE1-CG2 4.46Å; F656-T812 HydrophobicContact CG-CG2 3.49Å; F656-T812 VanDerWaalsContact CG-CG2 3.49Å
657	Q	96.4	Very high	95.3	Very high	106 Å²	106	52.8 Å²	52.8	50%	0.495	27%	0.267	S	S	.	.	H	α-helix	trans	-62.6	-37.7	177.7	-69.1	-58	-36.6	0	0	112.6	D653 N654 H655 V660 S661	D653-Q657 VanDerWaalsContact O-CG 3.3Å; D653-Q657 WeakPolarHBondContact O-CG 3.3Å; D653-Q657 PolarHBondContact O-N 3.01Å; N654-Q657 PolarHBondContact O-N 3.27Å; H655-Q657 VanDerWaalsContact C-N 3.34Å; H655-Q657 PolarHBondContact O-N 3.03Å; Q657-V660 PolarHBondContact O-N 3.48Å; Q657-S661 WeakPolarHBondContact O-CB 3.41Å; Q657-S661 PolarHBondContact O-N 2.81Å; Q657-S661 PolarHBondContact O-OG 3.27Å
658	L	96.3	Very high	95.5	Very high	24 Å²	24	53.2 Å²	53.2	13%	0.126	27%	0.271	C	S	.	.	H	α-helix	trans	-69.1	-34.8	175.3	-70.9	167.3	0	0	0	112	N654 H655 F656 S661 A662 N719 L722 L723 A726	N654-L658 PolarHBondContact O-N 3.23Å; H655-L658 PolarHBondContact O-N 2.86Å; F656-L658 VanDerWaalsContact C-N 3.32Å; F656-L658 PolarHBondContact O-N 2.79Å; L658-S661 PolarHBondContact O-N 2.93Å; L658-A662 WeakPolarHBondContact O-CB 3.03Å; L658-A662 PolarHBondContact O-N 3.17Å; L658-N719 WeakPolarHBondContact CD2-OD1 3.34Å; L658-N719 PolarHBondContact O-ND2 3.24Å; L658-L722 HydrophobicContact CD1-CB 4.23Å; L658-L722 HydrophobicContact CD2-CB 4.03Å; L658-L723 HydrophobicContact CB-CB 4.24Å; L658-L723 HydrophobicContact CB-CD1 3.83Å; L658-A726 HydrophobicContact CD1-CB 3.52Å
659	R	95	Very high	95.6	Very high	20 Å²	20	55.1 Å²	55.1	8%	0.075	28%	0.281	C	S	.	.	H	α-helix	trans	-64.9	-44.6	171.5	-69.3	-169.7	72.9	-169.5	-2.2	112.1	H655 F656 S661 A662 Q663 L723 D765 G770 E772 E773 L808	H655-R659 PolarHBondContact O-N 3.14Å; F656-R659 WeakPolarHBondContact O-CB 3.46Å; F656-R659 PolarHBondContact O-N 2.97Å; R659-S661 VanDerWaalsContact C-N 3.29Å; R659-S661 PolarHBondContact O-N 2.96Å; R659-A662 WeakPolarHBondContact O-CB 3.43Å; R659-A662 PolarHBondContact O-N 2.99Å; R659-Q663 PolarHBondContact O-N 3.41Å; R659-L723 HydrophobicContact CG-CD1 3.57Å; R659-L723 HydrophobicContact CG-CD2 4.19Å; R659-D765 VanDerWaalsContact CD-OD2 3.24Å; R659-D765 WeakPolarHBondContact CD-OD2 3.23Å; R659-D765 IonicContact CZ-OD2 3.83Å; R659-D765 IonicContact NE-OD2 2.85Å; R659-D765 PolarHBondContact NE-OD2 3.33Å; R659-G770 VanDerWaalsContact NH1-CA 3.3Å; R659-E772 WeakPolarHBondContact CD-OE2 3.38Å; R659-E772 IonicContact CZ-OE2 3.77Å; R659-E772 IonicContact NE-OE2 3.87Å; R659-E772 IonicContact NH1-OE2 2.99Å; R659-E772 PolarHBondContact NH1-OE2 2.92Å; R659-E773 IonicContact CZ-OE1 2.96Å; R659-E773 IonicContact CZ-OE2 3.04Å; R659-E773 IonicContact NH1-OE1 2.72Å; R659-E773 PolarHBondContact NH1-OE1 3.25Å; R659-E773 IonicContact NH1-OE2 3.84Å; R659-E773 PolarHBondContact NH1-OE2 3.34Å; R659-E773 IonicContact NH2-OE1 3.69Å; R659-E773 PolarHBondContact NH2-OE1 3.05Å; R659-E773 IonicContact NH2-OE2 3.94Å; R659-L808 HydrophobicContact CB-CD1 4.24Å
660	V	94.5	Very high	95.6	Very high	35 Å²	35	56.9 Å²	56.9	21%	0.212	30%	0.298	C	S	.	.	H	α-helix	trans	-60.4	-42.8	175.5	172	0	0	0	0	110.5	F656 Q657 Q663 Q664 L808	F656-V660 HydrophobicContact CD1-CG2 4.19Å; F656-V660 HydrophobicContact CE1-CG2 3.72Å; F656-V660 HydrophobicContact CE2-CG2 4.07Å; F656-V660 HydrophobicContact CZ-CG2 3.64Å; F656-V660 WeakPolarHBondContact O-CG2 3.39Å; F656-V660 PolarHBondContact O-N 3.37Å; Q657-V660 PolarHBondContact O-N 3.48Å; V660-Q663 PolarHBondContact O-N 2.86Å; V660-Q664 WeakPolarHBondContact O-CG 3.42Å; V660-Q664 PolarHBondContact O-N 2.85Å; V660-L808 HydrophobicContact CG2-CD2 4.49Å
661	S	95.1	Very high	95.7	Very high	35 Å²	35	56.2 Å²	56.2	25%	0.245	29%	0.291	C	S	.	.	H	α-helix	trans	-63.9	-40.3	176.1	-57	0	0	0	0	111.9	Q657 L658 R659 Q663 Q664 Y665 N719	Q657-S661 WeakPolarHBondContact O-CB 3.41Å; Q657-S661 PolarHBondContact O-N 2.81Å; Q657-S661 PolarHBondContact O-OG 3.27Å; L658-S661 PolarHBondContact O-N 2.93Å; R659-S661 VanDerWaalsContact C-N 3.29Å; R659-S661 PolarHBondContact O-N 2.96Å; S661-Q663 VanDerWaalsContact C-N 3.34Å; S661-Q663 PolarHBondContact O-N 3.04Å; S661-Q664 PolarHBondContact O-N 3.39Å; S661-Y665 WeakPolarHBondContact O-CD2 3.5Å; S661-Y665 PolarHBondContact O-N 3.1Å; S661-N719 WeakPolarHBondContact CB-OD1 3.28Å
662	A	94.5	Very high	95.7	Very high	33 Å²	33	58.6 Å²	58.6	27%	0.273	30%	0.298	S	S	.	.	H	α-helix	trans	-59.4	-44.5	175.3	0	0	0	0	0	111.7	L658 R659 Y665 Q666 N719	L658-A662 WeakPolarHBondContact O-CB 3.03Å; L658-A662 PolarHBondContact O-N 3.17Å; R659-A662 WeakPolarHBondContact O-CB 3.43Å; R659-A662 PolarHBondContact O-N 2.99Å; A662-Y665 PolarHBondContact O-N 3.26Å; A662-Q666 PolarHBondContact O-N 3.1Å; A662-N719 WeakPolarHBondContact CA-ND2 3.37Å; A662-N719 WeakPolarHBondContact CB-ND2 2.87Å; A662-N719 PolarHBondContact N-ND2 2.83Å
663	Q	93.5	Very high	95.7	Very high	89 Å²	89	60.3 Å²	60.3	42%	0.416	31%	0.312	S	S	.	.	H	α-helix	trans	-64.5	-40.9	177.2	-174	168.2	9.1	0	0	111.8	R659 V660 S661 Y665 Q666 D667	R659-Q663 PolarHBondContact O-N 3.41Å; V660-Q663 PolarHBondContact O-N 2.86Å; S661-Q663 VanDerWaalsContact C-N 3.34Å; S661-Q663 PolarHBondContact O-N 3.04Å; Q663-Y665 PolarHBondContact O-N 3.4Å; Q663-Q666 PolarHBondContact O-N 2.77Å; Q663-D667 PolarHBondContact O-N 2.82Å
664	Q	94.7	Very high	95.7	Very high	110 Å²	110	61.5 Å²	61.5	51%	0.514	32%	0.321	S	S	.	.	H	α-helix	trans	-60.9	-43.9	175.6	-70.9	174.3	9.9	0	0	112.2	V660 S661 Q666 D667 L668	V660-Q664 WeakPolarHBondContact O-CG 3.42Å; V660-Q664 PolarHBondContact O-N 2.85Å; S661-Q664 PolarHBondContact O-N 3.39Å; Q664-Q666 VanDerWaalsContact C-N 3.34Å; Q664-D667 PolarHBondContact O-N 3.06Å; Q664-L668 WeakPolarHBondContact O-CB 3.26Å; Q664-L668 WeakPolarHBondContact O-CG 2.98Å; Q664-L668 PolarHBondContact O-N 2.79Å
665	Y	95.6	Very high	95.7	Very high	76 Å²	76	61.1 Å²	61.1	30%	0.298	32%	0.316	S	S	.	.	H	α-helix	trans	-63.5	-40.3	175.1	-72.2	-55.7	0	0	0	112.1	S661 A662 Q663 L668 L669 L712 A715 A716 N719	S661-Y665 WeakPolarHBondContact O-CD2 3.5Å; S661-Y665 PolarHBondContact O-N 3.1Å; A662-Y665 PolarHBondContact O-N 3.26Å; Q663-Y665 PolarHBondContact O-N 3.4Å; Y665-L668 PolarHBondContact O-N 2.82Å; Y665-L669 VanDerWaalsContact O-CB 3.29Å; Y665-L669 WeakPolarHBondContact O-CB 3.45Å; Y665-L669 WeakPolarHBondContact O-CG 3.36Å; Y665-L669 PolarHBondContact O-N 3.48Å; Y665-L712 HydrophobicContact CD1-CD2 4.21Å; Y665-A715 HydrophobicContact CD1-CB 4.36Å; Y665-A715 HydrophobicContact CE1-CB 3.8Å; Y665-A716 HydrophobicContact CG-CB 4.41Å; Y665-N719 HydrophobicContact CD2-CB 4.04Å; Y665-N719 HydrophobicContact CE2-CB 3.85Å
666	Q	94.4	Very high	95.7	Very high	116 Å²	116	63.2 Å²	63.2	54%	0.542	33%	0.325	S	S	.	.	H	α-helix	trans	-62.4	-43.3	176.8	-172.9	177	9	0	0	112.1	A662 Q663 Q664 L669 S670	A662-Q666 PolarHBondContact O-N 3.1Å; Q663-Q666 PolarHBondContact O-N 2.77Å; Q664-Q666 VanDerWaalsContact C-N 3.34Å; Q666-L669 PolarHBondContact O-N 2.98Å; Q666-S670 WeakPolarHBondContact O-CB 3.42Å; Q666-S670 PolarHBondContact O-N 2.88Å
667	D	95.1	Very high	95.7	Very high	88 Å²	88	69.6 Å²	69.6	47%	0.471	35%	0.349	S	S	.	.	H	α-helix	trans	-64.5	-46.3	177.3	-72.2	-23.2	0	0	0	111.2	Q663 Q664 L669 S670 E671	Q663-D667 PolarHBondContact O-N 2.82Å; Q664-D667 PolarHBondContact O-N 3.06Å; D667-L669 PolarHBondContact O-N 3.39Å; D667-S670 WeakPolarHBondContact O-CB 3.08Å; D667-S670 PolarHBondContact O-N 2.84Å; D667-E671 WeakPolarHBondContact O-CG 3.21Å; D667-E671 PolarHBondContact O-N 2.88Å
668	L	96.9	Very high	95.6	Very high	69 Å²	69	67.2 Å²	67.2	36%	0.361	35%	0.348	S	S	.	.	H	α-helix	trans	-62.9	-41.6	176.8	-72	171	0	0	0	112.5	Q664 Y665 E671 R672 L712	Q664-L668 WeakPolarHBondContact O-CB 3.26Å; Q664-L668 WeakPolarHBondContact O-CG 2.98Å; Q664-L668 PolarHBondContact O-N 2.79Å; Y665-L668 PolarHBondContact O-N 2.82Å; L668-E671 PolarHBondContact O-N 3.06Å; L668-R672 WeakPolarHBondContact O-CG 3.22Å; L668-R672 PolarHBondContact O-N 2.99Å; L668-L712 HydrophobicContact CB-CD1 4.1Å; L668-L712 HydrophobicContact CB-CD2 4.25Å; L668-L712 HydrophobicContact CD1-CD2 4.31Å
669	L	96.6	Very high	95.5	Very high	39 Å²	39	66.7 Å²	66.7	20%	0.204	35%	0.345	C	S	.	.	H	α-helix	trans	-62.3	-43	174.3	-83.1	169.1	0	0	0	111.4	Y665 Q666 D667 R672 A673 V709 L712 A713 A716	Y665-L669 VanDerWaalsContact O-CB 3.29Å; Y665-L669 WeakPolarHBondContact O-CB 3.45Å; Y665-L669 WeakPolarHBondContact O-CG 3.36Å; Y665-L669 PolarHBondContact O-N 3.48Å; Q666-L669 PolarHBondContact O-N 2.98Å; D667-L669 PolarHBondContact O-N 3.39Å; L669-R672 PolarHBondContact O-N 2.94Å; L669-A673 WeakPolarHBondContact O-CB 3.35Å; L669-A673 PolarHBondContact O-N 3.22Å; L669-V709 HydrophobicContact CD2-CG1 4.36Å; L669-L712 HydrophobicContact CD2-CB 3.49Å; L669-L712 VanDerWaalsContact CD2-CB 3.49Å; L669-L712 HydrophobicContact CD2-CD1 4.43Å; L669-L712 HydrophobicContact CG-CB 3.83Å; L669-A713 HydrophobicContact CD2-CB 4.43Å; L669-A716 HydrophobicContact CD1-CB 4.02Å
670	S	96.9	Very high	95.4	Very high	71 Å²	71	69.5 Å²	69.5	50%	0.497	36%	0.359	S	S	.	.	H	α-helix	trans	-58.9	-48.1	176.3	178	0	0	0	0	111.4	Q666 D667 R672 A673 V674	Q666-S670 WeakPolarHBondContact O-CB 3.42Å; Q666-S670 PolarHBondContact O-N 2.88Å; D667-S670 WeakPolarHBondContact O-CB 3.08Å; D667-S670 PolarHBondContact O-N 2.84Å; S670-R672 PolarHBondContact O-N 2.81Å; S670-A673 PolarHBondContact O-N 3.46Å; S670-V674 WeakPolarHBondContact O-CG2 3.34Å; S670-V674 PolarHBondContact O-N 2.87Å
671	E	96.3	Very high	95.4	Very high	112 Å²	112	76.9 Å²	76.9	52%	0.523	38%	0.383	S	S	.	.	H	α-helix	trans	-59.2	-48	176.6	-71.4	-178.2	178.8	0	0	112.1	D667 L668 V674 Q675	D667-E671 WeakPolarHBondContact O-CG 3.21Å; D667-E671 PolarHBondContact O-N 2.88Å; L668-E671 PolarHBondContact O-N 3.06Å; E671-V674 PolarHBondContact O-N 3.08Å; E671-Q675 PolarHBondContact O-N 2.85Å
672	R	96.3	Very high	95.1	Very high	68 Å²	68	81.2 Å²	81.2	26%	0.257	39%	0.394	S	S	.	.	H	α-helix	trans	-67	-36.3	178.9	-68.8	-62.1	177.8	-76.1	-2.2	112.6	L668 L669 S670 Q675 F676 V709 L712	L668-R672 WeakPolarHBondContact O-CG 3.22Å; L668-R672 PolarHBondContact O-N 2.99Å; L669-R672 PolarHBondContact O-N 2.94Å; S670-R672 PolarHBondContact O-N 2.81Å; R672-Q675 PolarHBondContact O-N 3.45Å; R672-F676 WeakPolarHBondContact O-CB 3.3Å; R672-F676 PolarHBondContact O-N 3.02Å; R672-V709 HydrophobicContact CB-CG2 3.73Å; R672-L712 HydrophobicContact CB-CD1 4.49Å; R672-L712 HydrophobicContact CG-CD1 3.84Å
673	A	95.8	Very high	94.9	Very high	37 Å²	37	80.2 Å²	80.2	31%	0.306	38%	0.384	S	S	.	.	H	α-helix	trans	-66.4	-36	174.7	0	0	0	0	0	112.2	L669 S670 R677	L669-A673 WeakPolarHBondContact O-CB 3.35Å; L669-A673 PolarHBondContact O-N 3.22Å; S670-A673 PolarHBondContact O-N 3.46Å; A673-R677 WeakPolarHBondContact O-CB 3.44Å; A673-R677 VanDerWaalsContact O-CG 3.3Å; A673-R677 WeakPolarHBondContact O-CG 3.45Å; A673-R677 PolarHBondContact O-N 3.19Å; A673-R677 PolarHBondContact O-NE 3.45Å
674	V	97	Very high	94.7	Very high	75 Å²	75	81.6 Å²	81.6	46%	0.455	39%	0.393	S	S	.	.	H	α-helix	trans	-63.9	-46.6	171.8	171.3	0	0	0	0	110.5	S670 E671 R677 A678	S670-V674 WeakPolarHBondContact O-CG2 3.34Å; S670-V674 PolarHBondContact O-N 2.87Å; E671-V674 PolarHBondContact O-N 3.08Å; V674-R677 PolarHBondContact O-N 2.85Å; V674-A678 WeakPolarHBondContact O-CB 3.41Å; V674-A678 PolarHBondContact O-N 2.85Å
675	Q	95.4	Very high	94.4	Very high	72 Å²	72	80.4 Å²	80.4	34%	0.336	39%	0.394	S	S	.	.	H	α-helix	trans	-59.9	-47.7	176.7	-178.5	179.7	-6.8	0	0	111.7	E671 R672 R677 A678 I679 T705	E671-Q675 PolarHBondContact O-N 2.85Å; R672-Q675 PolarHBondContact O-N 3.45Å; Q675-R677 PolarHBondContact O-N 2.91Å; Q675-A678 WeakPolarHBondContact O-CB 3.44Å; Q675-A678 PolarHBondContact O-N 2.82Å; Q675-A678 VanDerWaalsContact O-N 3.14Å; Q675-I679 HydrophobicContact CG-CD1 3.97Å; Q675-I679 WeakPolarHBondContact O-CG1 3.33Å; Q675-I679 PolarHBondContact O-N 3.21Å; Q675-T705 HydrophobicContact CB-CG2 4.36Å; Q675-T705 HydrophobicContact CG-CG2 4.14Å
676	F	96.4	Very high	93.9	Very high	43 Å²	43	80 Å²	80	19%	0.189	39%	0.392	C	S	.	.	H	α-helix	trans	-57.6	-48.8	178.8	-172.7	-104.3	0	0	0	111.6	R672 A678 I679 Q680 L702 T705 Y706	R672-F676 WeakPolarHBondContact O-CB 3.3Å; R672-F676 PolarHBondContact O-N 3.02Å; F676-A678 VanDerWaalsContact C-N 3.32Å; F676-A678 PolarHBondContact O-N 2.93Å; F676-I679 PolarHBondContact O-N 2.86Å; F676-Q680 HydrophobicContact CD1-CG 4.31Å; F676-Q680 HydrophobicContact CE1-CG 4.1Å; F676-Q680 HydrophobicContact CZ-CG 4.39Å; F676-Q680 WeakPolarHBondContact O-CG 3.35Å; F676-Q680 PolarHBondContact O-N 3.32Å; F676-L702 HydrophobicContact CD2-CD1 3.69Å; F676-L702 HydrophobicContact CD2-CG 4.49Å; F676-L702 HydrophobicContact CE2-CD1 3.34Å; F676-L702 HydrophobicContact CE2-CG 3.82Å; F676-L702 HydrophobicContact CG-CD1 4.49Å; F676-L702 HydrophobicContact CZ-CD1 3.92Å; F676-L702 HydrophobicContact CZ-CG 4.46Å; F676-T705 HydrophobicContact CB-CG2 3.95Å; F676-T705 HydrophobicContact CD2-CG2 4.21Å; F676-Y706 HydrophobicContact CE2-CD2 4.39Å; F676-Y706 HydrophobicContact CZ-CD2 4.39Å
677	R	96.8	Very high	93.5	Very high	144 Å²	144	80.9 Å²	80.9	54%	0.543	39%	0.394	S	S	.	.	H	α-helix	trans	-61.9	-37.2	176	-73	-176.4	-65.9	163.9	-4.1	112.7	A673 V674 Q675 Q680 R681	A673-R677 WeakPolarHBondContact O-CB 3.44Å; A673-R677 VanDerWaalsContact O-CG 3.3Å; A673-R677 WeakPolarHBondContact O-CG 3.45Å; A673-R677 PolarHBondContact O-N 3.19Å; A673-R677 PolarHBondContact O-NE 3.45Å; V674-R677 PolarHBondContact O-N 2.85Å; Q675-R677 PolarHBondContact O-N 2.91Å; R677-Q680 PolarHBondContact O-N 2.92Å; R677-R681 WeakPolarHBondContact O-CB 3.45Å; R677-R681 VanDerWaalsContact O-CG 3.3Å; R677-R681 WeakPolarHBondContact O-CG 3.41Å; R677-R681 PolarHBondContact O-N 3.42Å
678	A	95.1	Very high	93.1	Very high	56 Å²	56	85.4 Å²	85.4	46%	0.463	41%	0.41	S	S	.	.	H	α-helix	trans	-64.4	-42.6	177	0	0	0	0	0	111.8	V674 Q675 F676 R681 R682	V674-A678 WeakPolarHBondContact O-CB 3.41Å; V674-A678 PolarHBondContact O-N 2.85Å; Q675-A678 WeakPolarHBondContact O-CB 3.44Å; Q675-A678 PolarHBondContact O-N 2.82Å; Q675-A678 VanDerWaalsContact O-N 3.14Å; F676-A678 VanDerWaalsContact C-N 3.32Å; F676-A678 PolarHBondContact O-N 2.93Å; A678-R681 PolarHBondContact O-N 2.91Å; A678-R682 PolarHBondContact O-N 3.41Å; A678-R682 VanDerWaalsContact O-N 3.1Å
679	I	94	Very high	92.5	Very high	12 Å²	12	85.9 Å²	85.9	6%	0.062	41%	0.412	C	S	.	.	H	α-helix	trans	-64.1	-47.4	175.9	-61.4	159.1	0	0	0	110.2	Q675 F676 R681 R682 L683 L701 L702 T705	Q675-I679 HydrophobicContact CG-CD1 3.97Å; Q675-I679 WeakPolarHBondContact O-CG1 3.33Å; Q675-I679 PolarHBondContact O-N 3.21Å; F676-I679 PolarHBondContact O-N 2.86Å; I679-R681 PolarHBondContact O-N 3.44Å; I679-R682 WeakPolarHBondContact O-CB 3.43Å; I679-R682 PolarHBondContact O-N 2.88Å; I679-R682 VanDerWaalsContact O-N 3.1Å; I679-L683 HydrophobicContact CG2-CD1 4.07Å; I679-L683 HydrophobicContact CG2-CG 4.46Å; I679-L683 PolarHBondContact O-N 3.14Å; I679-L701 HydrophobicContact CD1-CD2 3.87Å; I679-L701 HydrophobicContact CD1-CG 3.72Å; I679-L701 HydrophobicContact CG1-CD2 4.06Å; I679-L701 HydrophobicContact CG1-CG 4.41Å; I679-L702 HydrophobicContact CB-CD1 4.18Å; I679-L702 HydrophobicContact CG2-CB 3.98Å; I679-L702 HydrophobicContact CG2-CD1 3.82Å; I679-T705 HydrophobicContact CD1-CG2 4.46Å; I679-T705 WeakPolarHBondContact CD1-OG1 3.36Å
680	Q	93.5	Very high	91.8	Very high	80 Å²	80	94.1 Å²	94.1	37%	0.374	45%	0.447	S	S	.	.	H	α-helix	trans	-57.2	-46.7	176.8	-73.4	-175.9	-39.6	0	0	112.4	F676 R677 R682 L683 L684 L702	F676-Q680 HydrophobicContact CD1-CG 4.31Å; F676-Q680 HydrophobicContact CE1-CG 4.1Å; F676-Q680 HydrophobicContact CZ-CG 4.39Å; F676-Q680 WeakPolarHBondContact O-CG 3.35Å; F676-Q680 PolarHBondContact O-N 3.32Å; R677-Q680 PolarHBondContact O-N 2.92Å; Q680-R682 VanDerWaalsContact C-N 3.27Å; Q680-R682 PolarHBondContact O-N 3.14Å; Q680-L683 PolarHBondContact O-N 3.42Å; Q680-L684 WeakPolarHBondContact O-CG 3.4Å; Q680-L684 PolarHBondContact O-N 2.77Å; Q680-L702 HydrophobicContact CG-CD1 3.75Å
681	R	93.3	Very high	90.9	Very high	189 Å²	189	95 Å²	95	71%	0.713	45%	0.45	S	S	*	.	H	α-helix	trans	-59.5	-38.4	176.4	-74.3	174.9	68.5	-174.7	2.7	112.1	R677 A678 I679 T685	R677-R681 WeakPolarHBondContact O-CB 3.45Å; R677-R681 VanDerWaalsContact O-CG 3.3Å; R677-R681 WeakPolarHBondContact O-CG 3.41Å; R677-R681 PolarHBondContact O-N 3.42Å; A678-R681 PolarHBondContact O-N 2.91Å; I679-R681 PolarHBondContact O-N 3.44Å; R681-T685 PolarHBondContact O-N 3.05Å; R681-T685 VanDerWaalsContact O-N 3.13Å; R681-T685 PolarHBondContact O-OG1 2.8Å
682	R	89.9	Confident	89.7	Confident	127 Å²	127	96.1 Å²	96.1	48%	0.479	47%	0.466	S	S	.	.	H	α-helix	trans	-67.7	-43.9	177.2	-171.7	60.5	167.6	-176.3	-5.3	111.5	A678 I679 Q680 T685 R686 L698	A678-R682 PolarHBondContact O-N 3.41Å; A678-R682 VanDerWaalsContact O-N 3.1Å; I679-R682 WeakPolarHBondContact O-CB 3.43Å; I679-R682 PolarHBondContact O-N 2.88Å; I679-R682 VanDerWaalsContact O-N 3.1Å; Q680-R682 VanDerWaalsContact C-N 3.27Å; Q680-R682 PolarHBondContact O-N 3.14Å; R682-T685 PolarHBondContact O-N 3.27Å; R682-R686 VanDerWaalsContact NH2-NH2 3.19Å; R682-R686 WeakPolarHBondContact O-CG 3.47Å; R682-R686 PolarHBondContact O-N 3.29Å; R682-R686 VanDerWaalsContact O-N 3.13Å; R682-L698 HydrophobicContact CG-CD1 3.8Å
683	L	89.6	Confident	88.7	Confident	11 Å²	11	94.6 Å²	94.6	6%	0.058	47%	0.468	C	S	.	.	H	α-helix	trans	-61.6	-46.1	175.2	-74.9	171.8	0	0	0	111.7	I679 Q680 T685 R686 F687 L695 L698 L702	I679-L683 HydrophobicContact CG2-CD1 4.07Å; I679-L683 HydrophobicContact CG2-CG 4.46Å; I679-L683 PolarHBondContact O-N 3.14Å; Q680-L683 PolarHBondContact O-N 3.42Å; L683-T685 VanDerWaalsContact C-N 3.3Å; L683-T685 PolarHBondContact O-N 3.05Å; L683-R686 CarbonylContact O-C 3.55Å; L683-R686 WeakPolarHBondContact O-CA 3.49Å; L683-R686 WeakPolarHBondContact O-CB 3.48Å; L683-R686 PolarHBondContact O-N 3.23Å; L683-F687 HydrophobicContact CB-CD2 4.41Å; L683-F687 HydrophobicContact CB-CE2 3.99Å; L683-F687 HydrophobicContact CD2-CZ 4.36Å; L683-F687 WeakPolarHBondContact O-CD2 3.36Å; L683-F687 WeakPolarHBondContact O-CG 3.16Å; L683-F687 PolarHBondContact O-N 2.81Å; L683-L695 HydrophobicContact CD2-CD2 3.98Å; L683-L698 HydrophobicContact CD2-CB 3.67Å; L683-L698 HydrophobicContact CD2-CD1 4.32Å; L683-L698 HydrophobicContact CG-CB 4.23Å; L683-L702 HydrophobicContact CD1-CB 4.32Å; L683-L702 HydrophobicContact CD1-CD1 4.46Å; L683-L702 HydrophobicContact CD1-CD2 3.84Å; L683-L702 HydrophobicContact CD1-CG 4.44Å
684	L	90.1	Very high	87.9	Confident	118 Å²	118	97.5 Å²	97.5	62%	0.618	48%	0.484	S	S	*	.	H	α-helix	trans	-58.5	-40.6	176.3	-74.2	171.9	0	0	0	112.6	Q680 R686 F687 K688	Q680-L684 WeakPolarHBondContact O-CG 3.4Å; Q680-L684 PolarHBondContact O-N 2.77Å; L684-R686 VanDerWaalsContact C-N 3.28Å; L684-R686 PolarHBondContact O-N 3.46Å; L684-F687 PolarHBondContact O-N 3.06Å; L684-K688 WeakPolarHBondContact O-CB 3.22Å; L684-K688 PolarHBondContact O-N 2.93Å
685	T	88.3	Confident	86.9	Confident	86 Å²	86	96.5 Å²	96.5	53%	0.528	48%	0.476	S	S	.	.	H	α-helix	trans	-63.4	-37.3	175.9	-53.8	0	0	0	0	111.3	R681 R682 L683	R681-T685 PolarHBondContact O-N 3.05Å; R681-T685 VanDerWaalsContact O-N 3.13Å; R681-T685 PolarHBondContact O-OG1 2.8Å; R682-T685 PolarHBondContact O-N 3.27Å; L683-T685 VanDerWaalsContact C-N 3.3Å; L683-T685 PolarHBondContact O-N 3.05Å
686	R	84.9	Confident	86.1	Confident	67 Å²	67	100 Å²	100	25%	0.253	49%	0.492	S	S	.	.	H	α-helix	trans	-71.7	-41.1	176.7	-68.9	-73.9	-172.1	-118.6	7.3	112.1	R682 L683 L684 K688 D689 L695	R682-R686 VanDerWaalsContact NH2-NH2 3.19Å; R682-R686 WeakPolarHBondContact O-CG 3.47Å; R682-R686 PolarHBondContact O-N 3.29Å; R682-R686 VanDerWaalsContact O-N 3.13Å; L683-R686 CarbonylContact O-C 3.55Å; L683-R686 WeakPolarHBondContact O-CA 3.49Å; L683-R686 WeakPolarHBondContact O-CB 3.48Å; L683-R686 PolarHBondContact O-N 3.23Å; L684-R686 VanDerWaalsContact C-N 3.28Å; L684-R686 PolarHBondContact O-N 3.46Å; R686-K688 VanDerWaalsContact C-N 3.28Å; R686-K688 PolarHBondContact O-N 2.83Å; R686-D689 WeakPolarHBondContact O-CB 3.42Å; R686-D689 PolarHBondContact O-N 3.18Å; R686-L695 HydrophobicContact CB-CD2 4.39Å
687	F	85.8	Confident	85.6	Confident	134 Å²	134	102.9 Å²	102.9	59%	0.588	51%	0.509	S	S	*	.	H	α-helix	trans	-68.8	-24.5	177.9	-64.9	-38	0	0	0	113.6	L683 L684 D689 L695	L683-F687 HydrophobicContact CB-CD2 4.41Å; L683-F687 HydrophobicContact CB-CE2 3.99Å; L683-F687 HydrophobicContact CD2-CZ 4.36Å; L683-F687 WeakPolarHBondContact O-CD2 3.36Å; L683-F687 WeakPolarHBondContact O-CG 3.16Å; L683-F687 PolarHBondContact O-N 2.81Å; L684-F687 PolarHBondContact O-N 3.06Å; F687-D689 VanDerWaalsContact C-N 3.3Å; F687-L695 HydrophobicContact CD1-CD2 4.42Å; F687-L695 HydrophobicContact CE1-CD1 4.13Å; F687-L695 HydrophobicContact CE1-CD2 3.78Å; F687-L695 HydrophobicContact CZ-CD1 4.41Å; F687-L695 HydrophobicContact CZ-CD2 4.37Å
688	K	85.9	Confident	85.1	Confident	184 Å²	184	97.5 Å²	97.5	80%	0.8	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-17.9	174.2	-168.3	174	179.2	-179.4	0	113	L684 R686	L684-K688 WeakPolarHBondContact O-CB 3.22Å; L684-K688 PolarHBondContact O-N 2.93Å; R686-K688 VanDerWaalsContact C-N 3.28Å; R686-K688 PolarHBondContact O-N 2.83Å
689	D	84.8	Confident	84.8	Confident	78 Å²	78	98.2 Å²	98.2	42%	0.417	49%	0.487	S	S	.	.			trans	-69.5	132.3	178.2	-160.1	-29.1	0	0	0	109.9	R686 F687 T691	R686-D689 WeakPolarHBondContact O-CB 3.42Å; R686-D689 PolarHBondContact O-N 3.18Å; F687-D689 VanDerWaalsContact C-N 3.3Å; D689-T691 PolarHBondContact O-N 3.2Å; D689-T691 PolarHBondContact OD1-N 3.17Å; D689-T691 PolarHBondContact OD1-OG1 3.19Å
690	K	81.7	Confident	84.6	Confident	212 Å²	212	104.1 Å²	104.1	92%	0.922	51%	0.513	S	S	*	.	S	Bend	trans	-70.3	-19.2	177.9	-67.1	-173.8	178.5	-176.5	0	111.7
691	T	78.5	Confident	84.6	Confident	91 Å²	91	104 Å²	104	56%	0.558	51%	0.514	S	S	*	.	S	Bend	trans	-98.5	127.4	175.8	59.2	0	0	0	0	110.3	D689 A693	D689-T691 PolarHBondContact O-N 3.2Å; D689-T691 PolarHBondContact OD1-N 3.17Å; D689-T691 PolarHBondContact OD1-OG1 3.19Å; T691-A693 PolarHBondContact O-N 3.24Å
692	P	71.5	Confident	84.7	Confident	135 Å²	135	96.6 Å²	96.6	88%	0.877	49%	0.488	S	S	*	.			trans	-69.8	97.4	-178.7	27.3	-33	0	0	0	110.1
693	A	74.2	Confident	84.9	Confident	36 Å²	36	95.1 Å²	95.1	30%	0.298	49%	0.49	S	S	.	.			trans	-82.9	137.7	171.6	0	0	0	0	0	110.1	T691 L695	T691-A693 PolarHBondContact O-N 3.24Å; A693-L695 PolarHBondContact O-N 3.17Å
694	P	78.3	Confident	85.2	Confident	97 Å²	97	96.7 Å²	96.7	63%	0.63	51%	0.505	S	S	*	.			trans	-60.6	136.1	177	25.1	-33	0	0	0	110.2	Q696	P694-Q696 PolarHBondContact O-N 3.42Å; P694-Q696 VanDerWaalsContact O-N 3.15Å
695	L	76.3	Confident	85.5	Confident	54 Å²	54	91.1 Å²	91.1	28%	0.283	48%	0.476	S	S	.	.			trans	-71.3	-6.6	-176.6	-60.9	175.9	0	0	0	113.4	L683 R686 F687 A693 N697 L698	L683-L695 HydrophobicContact CD2-CD2 3.98Å; R686-L695 HydrophobicContact CB-CD2 4.39Å; F687-L695 HydrophobicContact CD1-CD2 4.42Å; F687-L695 HydrophobicContact CE1-CD1 4.13Å; F687-L695 HydrophobicContact CE1-CD2 3.78Å; F687-L695 HydrophobicContact CZ-CD1 4.41Å; F687-L695 HydrophobicContact CZ-CD2 4.37Å; A693-L695 PolarHBondContact O-N 3.17Å; L695-N697 VanDerWaalsContact C-N 3.26Å; L695-N697 PolarHBondContact O-N 3.43Å; L695-L698 WeakPolarHBondContact O-CB 3.24Å; L695-L698 WeakPolarHBondContact O-CG 3.38Å; L695-L698 PolarHBondContact O-N 3.14Å
696	Q	79.2	Confident	85.9	Confident	147 Å²	147	92.6 Å²	92.6	69%	0.687	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	43	175.4	-65.8	178.1	-13.8	0	0	113.3	P694 L698	P694-Q696 PolarHBondContact O-N 3.42Å; P694-Q696 VanDerWaalsContact O-N 3.15Å; Q696-L698 PolarHBondContact O-N 2.81Å
697	N	85.6	Confident	86.4	Confident	102 Å²	102	94.2 Å²	94.2	55%	0.545	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	15.9	-177.7	-52.3	-53.2	0	0	0	115.3	L695 D699 K700 L701	L695-N697 VanDerWaalsContact C-N 3.26Å; L695-N697 PolarHBondContact O-N 3.43Å; N697-D699 WeakPolarHBondContact CA-OD1 3.41Å; N697-D699 PolarHBondContact O-N 3.35Å; N697-K700 HydrophobicContact CB-CB 4.48Å; N697-K700 HydrophobicContact CB-CD 4.44Å; N697-K700 PolarHBondContact O-N 3.46Å; N697-L701 PolarHBondContact O-N 2.8Å
698	L	87.4	Confident	87	Confident	31 Å²	31	91.9 Å²	91.9	16%	0.162	48%	0.477	C	S	.	.	H	α-helix	trans	-63.4	-27.7	175.1	-74.5	172.1	0	0	0	112.6	R682 L683 L695 Q696 L701 L702	R682-L698 HydrophobicContact CG-CD1 3.8Å; L683-L698 HydrophobicContact CD2-CB 3.67Å; L683-L698 HydrophobicContact CD2-CD1 4.32Å; L683-L698 HydrophobicContact CG-CB 4.23Å; L695-L698 WeakPolarHBondContact O-CB 3.24Å; L695-L698 WeakPolarHBondContact O-CG 3.38Å; L695-L698 PolarHBondContact O-N 3.14Å; Q696-L698 PolarHBondContact O-N 2.81Å; L698-L701 HydrophobicContact CD2-CD2 4.41Å; L698-L702 WeakPolarHBondContact O-CB 3.47Å; L698-L702 PolarHBondContact O-N 2.81Å
699	D	87.3	Confident	87.5	Confident	71 Å²	71	84.8 Å²	84.8	38%	0.38	45%	0.449	S	S	.	.	H	α-helix	trans	-61.7	-51.8	169.9	56.9	-24.3	0	0	0	111.3	N697 L701 L702 D703	N697-D699 WeakPolarHBondContact CA-OD1 3.41Å; N697-D699 PolarHBondContact O-N 3.35Å; D699-L701 VanDerWaalsContact C-N 3.29Å; D699-L701 PolarHBondContact O-N 3.45Å; D699-L702 VanDerWaalsContact O-CB 3.31Å; D699-L702 WeakPolarHBondContact O-CB 3.39Å; D699-L702 PolarHBondContact O-N 3.32Å; D699-L702 VanDerWaalsContact O-N 3.08Å; D699-D703 PolarHBondContact O-N 3.1Å
700	K	91.2	Very high	88.1	Confident	137 Å²	137	84 Å²	84	60%	0.596	44%	0.444	S	S	*	.	H	α-helix	trans	-61.7	-37.8	176.2	-64.9	-177.7	179.1	175.9	0	112.5	N697 L702 A704	N697-K700 HydrophobicContact CB-CB 4.48Å; N697-K700 HydrophobicContact CB-CD 4.44Å; N697-K700 PolarHBondContact O-N 3.46Å; K700-L702 VanDerWaalsContact C-N 3.33Å; K700-A704 WeakPolarHBondContact O-CB 3.2Å; K700-A704 PolarHBondContact O-N 2.71Å
701	L	93.9	Very high	88.8	Confident	77 Å²	77	76.4 Å²	76.4	40%	0.403	42%	0.421	S	S	.	.	H	α-helix	trans	-67.1	-36.7	176.1	-174.6	65.1	0	0	0	111.6	I679 N697 L698 D699 T705	I679-L701 HydrophobicContact CD1-CD2 3.87Å; I679-L701 HydrophobicContact CD1-CG 3.72Å; I679-L701 HydrophobicContact CG1-CD2 4.06Å; I679-L701 HydrophobicContact CG1-CG 4.41Å; N697-L701 PolarHBondContact O-N 2.8Å; L698-L701 HydrophobicContact CD2-CD2 4.41Å; D699-L701 VanDerWaalsContact C-N 3.29Å; D699-L701 PolarHBondContact O-N 3.45Å; L701-T705 WeakPolarHBondContact O-CB 3.47Å; L701-T705 PolarHBondContact O-N 3.03Å; L701-T705 PolarHBondContact O-OG1 3.02Å
702	L	94.3	Very high	89.7	Confident	34 Å²	34	73.6 Å²	73.6	18%	0.178	40%	0.402	C	S	.	.	H	α-helix	trans	-62.4	-49.7	174.9	-173.1	74.8	0	0	0	110.4	F676 I679 Q680 L683 L698 D699 K700 A704 T705 Y706	F676-L702 HydrophobicContact CD2-CD1 3.69Å; F676-L702 HydrophobicContact CD2-CG 4.49Å; F676-L702 HydrophobicContact CE2-CD1 3.34Å; F676-L702 HydrophobicContact CE2-CG 3.82Å; F676-L702 HydrophobicContact CG-CD1 4.49Å; F676-L702 HydrophobicContact CZ-CD1 3.92Å; F676-L702 HydrophobicContact CZ-CG 4.46Å; I679-L702 HydrophobicContact CB-CD1 4.18Å; I679-L702 HydrophobicContact CG2-CB 3.98Å; I679-L702 HydrophobicContact CG2-CD1 3.82Å; Q680-L702 HydrophobicContact CG-CD1 3.75Å; L683-L702 HydrophobicContact CD1-CB 4.32Å; L683-L702 HydrophobicContact CD1-CD1 4.46Å; L683-L702 HydrophobicContact CD1-CD2 3.84Å; L683-L702 HydrophobicContact CD1-CG 4.44Å; L698-L702 WeakPolarHBondContact O-CB 3.47Å; L698-L702 PolarHBondContact O-N 2.81Å; D699-L702 VanDerWaalsContact O-CB 3.31Å; D699-L702 WeakPolarHBondContact O-CB 3.39Å; D699-L702 PolarHBondContact O-N 3.32Å; D699-L702 VanDerWaalsContact O-N 3.08Å; K700-L702 VanDerWaalsContact C-N 3.33Å; L702-A704 PolarHBondContact O-N 2.73Å; L702-T705 PolarHBondContact O-N 2.9Å; L702-Y706 WeakPolarHBondContact O-CB 3.35Å; L702-Y706 PolarHBondContact O-N 2.9Å
703	D	94.7	Very high	90.9	Very high	95 Å²	95	69 Å²	69	51%	0.508	38%	0.376	S	S	.	.	H	α-helix	trans	-61.8	-43.8	179.5	-67.6	-20	0	0	0	111.8	D699 T705 Y706 N707	D699-D703 PolarHBondContact O-N 3.1Å; D703-T705 VanDerWaalsContact C-N 3.34Å; D703-T705 PolarHBondContact O-N 2.88Å; D703-Y706 WeakPolarHBondContact O-CB 3.34Å; D703-Y706 PolarHBondContact O-N 3.42Å; D703-N707 VanDerWaalsContact O-CG 3.32Å; D703-N707 PolarHBondContact O-N 3.36Å; D703-N707 PolarHBondContact O-ND2 2.99Å
704	A	95.6	Very high	92	Very high	45 Å²	45	73 Å²	73	37%	0.372	39%	0.389	S	S	.	.	H	α-helix	trans	-62.6	-41.6	176.4	0	0	0	0	0	112.1	K700 L702 Q708	K700-A704 WeakPolarHBondContact O-CB 3.2Å; K700-A704 PolarHBondContact O-N 2.71Å; L702-A704 PolarHBondContact O-N 2.73Å; A704-Q708 WeakPolarHBondContact O-CG 3.29Å; A704-Q708 PolarHBondContact O-N 3.21Å
705	T	95.9	Very high	92.9	Very high	1 Å²	1	69.5 Å²	69.5	1%	0.006	37%	0.368	C	S	.	.	H	α-helix	trans	-69.2	-38.2	177.7	-51.1	0	0	0	0	110.8	Q675 F676 I679 L701 L702 D703 Q708 V709	Q675-T705 HydrophobicContact CB-CG2 4.36Å; Q675-T705 HydrophobicContact CG-CG2 4.14Å; F676-T705 HydrophobicContact CB-CG2 3.95Å; F676-T705 HydrophobicContact CD2-CG2 4.21Å; I679-T705 HydrophobicContact CD1-CG2 4.46Å; I679-T705 WeakPolarHBondContact CD1-OG1 3.36Å; L701-T705 WeakPolarHBondContact O-CB 3.47Å; L701-T705 PolarHBondContact O-N 3.03Å; L701-T705 PolarHBondContact O-OG1 3.02Å; L702-T705 PolarHBondContact O-N 2.9Å; D703-T705 VanDerWaalsContact C-N 3.34Å; D703-T705 PolarHBondContact O-N 2.88Å; T705-Q708 PolarHBondContact O-N 2.78Å; T705-V709 WeakPolarHBondContact O-CG2 3.15Å; T705-V709 PolarHBondContact O-N 2.78Å
706	Y	96.6	Very high	93.8	Very high	117 Å²	117	68.2 Å²	68.2	46%	0.459	37%	0.365	S	S	.	.	H	α-helix	trans	-58.8	-51.1	174.5	174.4	-102.8	0	0	0	111.4	F676 L702 D703 Q708 V709 I710	F676-Y706 HydrophobicContact CE2-CD2 4.39Å; F676-Y706 HydrophobicContact CZ-CD2 4.39Å; L702-Y706 WeakPolarHBondContact O-CB 3.35Å; L702-Y706 PolarHBondContact O-N 2.9Å; D703-Y706 WeakPolarHBondContact O-CB 3.34Å; D703-Y706 PolarHBondContact O-N 3.42Å; Y706-Q708 VanDerWaalsContact C-N 3.25Å; Y706-Q708 PolarHBondContact O-N 2.88Å; Y706-V709 WeakPolarHBondContact O-CB 3.18Å; Y706-V709 PolarHBondContact O-N 2.91Å; Y706-I710 HydrophobicContact CD1-CG1 4.32Å; Y706-I710 HydrophobicContact CD2-CG1 4.37Å; Y706-I710 HydrophobicContact CE1-CG1 3.88Å; Y706-I710 HydrophobicContact CE2-CD1 3.94Å; Y706-I710 HydrophobicContact CE2-CG1 3.93Å; Y706-I710 WeakPolarHBondContact O-CG1 3.31Å; Y706-I710 PolarHBondContact O-N 3.39Å
707	N	96.8	Very high	94.6	Very high	101 Å²	101	66.1 Å²	66.1	54%	0.54	36%	0.355	S	S	.	.	H	α-helix	trans	-59.7	-36.8	178.6	-68.8	-23.5	0	0	0	112.2	D703 I710 A711	D703-N707 VanDerWaalsContact O-CG 3.32Å; D703-N707 PolarHBondContact O-N 3.36Å; D703-N707 PolarHBondContact O-ND2 2.99Å; N707-I710 PolarHBondContact O-N 2.93Å; N707-A711 WeakPolarHBondContact O-CB 3.41Å; N707-A711 PolarHBondContact O-N 2.72Å
708	Q	96.4	Very high	95.1	Very high	85 Å²	85	67.8 Å²	67.8	40%	0.397	36%	0.36	S	S	.	.	H	α-helix	trans	-65.7	-40.3	173.6	-71.4	174.6	22.9	0	0	112.6	A704 T705 Y706 L712	A704-Q708 WeakPolarHBondContact O-CG 3.29Å; A704-Q708 PolarHBondContact O-N 3.21Å; T705-Q708 PolarHBondContact O-N 2.78Å; Y706-Q708 VanDerWaalsContact C-N 3.25Å; Y706-Q708 PolarHBondContact O-N 2.88Å; Q708-L712 WeakPolarHBondContact O-CB 3.42Å; Q708-L712 VanDerWaalsContact O-CG 3.31Å; Q708-L712 WeakPolarHBondContact O-CG 3.34Å; Q708-L712 PolarHBondContact O-N 2.89Å
709	V	97.1	Very high	95.5	Very high	34 Å²	34	67 Å²	67	21%	0.206	36%	0.355	C	S	.	.	H	α-helix	trans	-63.6	-44.1	176.4	170.8	0	0	0	0	110.6	L669 R672 T705 Y706 L712 A713	L669-V709 HydrophobicContact CD2-CG1 4.36Å; R672-V709 HydrophobicContact CB-CG2 3.73Å; T705-V709 WeakPolarHBondContact O-CG2 3.15Å; T705-V709 PolarHBondContact O-N 2.78Å; Y706-V709 WeakPolarHBondContact O-CB 3.18Å; Y706-V709 PolarHBondContact O-N 2.91Å; V709-L712 PolarHBondContact O-N 3.23Å; V709-A713 WeakPolarHBondContact O-CB 3.08Å; V709-A713 PolarHBondContact O-N 2.81Å
710	I	97.3	Very high	95.8	Very high	61 Å²	61	69.2 Å²	69.2	31%	0.313	36%	0.358	S	S	.	.	H	α-helix	trans	-63.4	-49.3	178	-62.7	-58.5	0	0	0	111.1	Y706 N707 L712 A713 E714	Y706-I710 HydrophobicContact CD1-CG1 4.32Å; Y706-I710 HydrophobicContact CD2-CG1 4.37Å; Y706-I710 HydrophobicContact CE1-CG1 3.88Å; Y706-I710 HydrophobicContact CE2-CD1 3.94Å; Y706-I710 HydrophobicContact CE2-CG1 3.93Å; Y706-I710 WeakPolarHBondContact O-CG1 3.31Å; Y706-I710 PolarHBondContact O-N 3.39Å; N707-I710 PolarHBondContact O-N 2.93Å; I710-L712 VanDerWaalsContact C-N 3.31Å; I710-L712 PolarHBondContact O-N 2.65Å; I710-A713 WeakPolarHBondContact O-CB 2.98Å; I710-A713 PolarHBondContact O-N 3.31Å; I710-E714 HydrophobicContact CG2-CG 4.49Å; I710-E714 WeakPolarHBondContact O-CG 3.38Å; I710-E714 PolarHBondContact O-N 3.42Å
711	A	96.9	Very high	95.9	Very high	54 Å²	54	65.2 Å²	65.2	45%	0.446	35%	0.351	S	S	.	.	H	α-helix	trans	-60.4	-39.2	179	0	0	0	0	0	112.7	N707 A715	N707-A711 WeakPolarHBondContact O-CB 3.41Å; N707-A711 PolarHBondContact O-N 2.72Å; A711-A715 WeakPolarHBondContact O-CB 3.01Å; A711-A715 PolarHBondContact O-N 2.85Å; A711-A715 VanDerWaalsContact O-N 3.07Å
712	L	97	Very high	95.9	Very high	31 Å²	31	65.7 Å²	65.7	16%	0.162	35%	0.353	C	S	.	.	H	α-helix	trans	-69.2	-34.1	174.7	-74.9	171.2	0	0	0	112.5	Y665 L668 L669 R672 Q708 V709 I710 A716	Y665-L712 HydrophobicContact CD1-CD2 4.21Å; L668-L712 HydrophobicContact CB-CD1 4.1Å; L668-L712 HydrophobicContact CB-CD2 4.25Å; L668-L712 HydrophobicContact CD1-CD2 4.31Å; L669-L712 HydrophobicContact CD2-CB 3.49Å; L669-L712 VanDerWaalsContact CD2-CB 3.49Å; L669-L712 HydrophobicContact CD2-CD1 4.43Å; L669-L712 HydrophobicContact CG-CB 3.83Å; R672-L712 HydrophobicContact CB-CD1 4.49Å; R672-L712 HydrophobicContact CG-CD1 3.84Å; Q708-L712 WeakPolarHBondContact O-CB 3.42Å; Q708-L712 VanDerWaalsContact O-CG 3.31Å; Q708-L712 WeakPolarHBondContact O-CG 3.34Å; Q708-L712 PolarHBondContact O-N 2.89Å; V709-L712 PolarHBondContact O-N 3.23Å; I710-L712 VanDerWaalsContact C-N 3.31Å; I710-L712 PolarHBondContact O-N 2.65Å; L712-A716 VanDerWaalsContact O-CB 3.26Å; L712-A716 WeakPolarHBondContact O-CB 3.48Å; L712-A716 PolarHBondContact O-N 3.07Å
713	A	96.9	Very high	96	Very high	40 Å²	40	65.2 Å²	65.2	33%	0.331	35%	0.351	S	S	.	.	H	α-helix	trans	-68.2	-43.2	176.8	0	0	0	0	0	111.2	L669 V709 I710 A716 E717	L669-A713 HydrophobicContact CD2-CB 4.43Å; V709-A713 WeakPolarHBondContact O-CB 3.08Å; V709-A713 PolarHBondContact O-N 2.81Å; I710-A713 WeakPolarHBondContact O-CB 2.98Å; I710-A713 PolarHBondContact O-N 3.31Å; A713-A716 PolarHBondContact O-N 2.72Å; A713-E717 WeakPolarHBondContact O-CG 3.45Å; A713-E717 PolarHBondContact O-N 3.32Å
714	E	97.1	Very high	95.9	Very high	120 Å²	120	63.6 Å²	63.6	56%	0.561	34%	0.34	S	S	*	.	H	α-helix	trans	-60	-48.4	173.8	-70.4	173.2	172.8	0	0	111.3	I710 A716 E717 E718	I710-E714 HydrophobicContact CG2-CG 4.49Å; I710-E714 WeakPolarHBondContact O-CG 3.38Å; I710-E714 PolarHBondContact O-N 3.42Å; E714-A716 VanDerWaalsContact C-N 3.31Å; E714-A716 PolarHBondContact O-N 3.36Å; E714-E717 PolarHBondContact O-N 2.83Å; E714-E718 WeakPolarHBondContact O-CG 3.48Å; E714-E718 PolarHBondContact O-N 2.75Å
715	A	96.6	Very high	95.8	Very high	23 Å²	23	63.4 Å²	63.4	19%	0.19	33%	0.332	C	S	.	.	H	α-helix	trans	-62.6	-35.8	176.7	0	0	0	0	0	113	Y665 A711 N719	Y665-A715 HydrophobicContact CD1-CB 4.36Å; Y665-A715 HydrophobicContact CE1-CB 3.8Å; A711-A715 WeakPolarHBondContact O-CB 3.01Å; A711-A715 PolarHBondContact O-N 2.85Å; A711-A715 VanDerWaalsContact O-N 3.07Å; A715-N719 WeakPolarHBondContact O-CB 3.3Å; A715-N719 PolarHBondContact O-N 3.38Å
716	A	95.9	Very high	95.7	Very high	26 Å²	26	63.6 Å²	63.6	22%	0.215	33%	0.333	C	S	.	.	H	α-helix	trans	-67.2	-39.5	175.6	0	0	0	0	0	112.1	Y665 L669 L712 A713 E714 N719 R720	Y665-A716 HydrophobicContact CG-CB 4.41Å; L669-A716 HydrophobicContact CD1-CB 4.02Å; L712-A716 VanDerWaalsContact O-CB 3.26Å; L712-A716 WeakPolarHBondContact O-CB 3.48Å; L712-A716 PolarHBondContact O-N 3.07Å; A713-A716 PolarHBondContact O-N 2.72Å; E714-A716 VanDerWaalsContact C-N 3.31Å; E714-A716 PolarHBondContact O-N 3.36Å; A716-N719 PolarHBondContact O-N 2.81Å; A716-R720 WeakPolarHBondContact O-CB 3.32Å; A716-R720 PolarHBondContact O-N 2.95Å
717	E	95.9	Very high	95.7	Very high	104 Å²	104	58.4 Å²	58.4	49%	0.486	31%	0.313	S	S	.	.	H	α-helix	trans	-66.8	-43.2	175.6	-75.8	-65	163.7	0	0	112.1	A713 E714 N719 R720 A721	A713-E717 WeakPolarHBondContact O-CG 3.45Å; A713-E717 PolarHBondContact O-N 3.32Å; E714-E717 PolarHBondContact O-N 2.83Å; E717-N719 VanDerWaalsContact C-N 3.34Å; E717-N719 PolarHBondContact O-N 2.85Å; E717-R720 WeakPolarHBondContact O-CB 3.36Å; E717-R720 PolarHBondContact O-N 2.98Å; E717-R720 IonicContact OE1-NE 3.82Å; E717-R720 IonicContact OE2-CZ 2.73Å; E717-R720 IonicContact OE2-NE 3.51Å; E717-R720 PolarHBondContact OE2-NE 2.85Å; E717-R720 IonicContact OE2-NH2 3.59Å; E717-R720 PolarHBondContact OE2-NH2 2.88Å; E717-A721 PolarHBondContact O-N 2.82Å
718	E	96.1	Very high	95.5	Very high	137 Å²	137	54.1 Å²	54.1	64%	0.64	29%	0.29	S	S	*	.	H	α-helix	trans	-58.7	-46.5	173.1	-72.4	-179.3	178.6	0	0	111.3	E714 R720 A721 L722	E714-E718 WeakPolarHBondContact O-CG 3.48Å; E714-E718 PolarHBondContact O-N 2.75Å; E718-R720 VanDerWaalsContact C-N 3.32Å; E718-R720 PolarHBondContact O-N 3.33Å; E718-A721 PolarHBondContact O-N 3.48Å; E718-L722 WeakPolarHBondContact O-CG 3.41Å; E718-L722 PolarHBondContact O-N 2.95Å
719	N	95.8	Very high	95.4	Very high	13 Å²	13	54.1 Å²	54.1	7%	0.07	29%	0.287	C	S	.	.	H	α-helix	trans	-63.7	-36.3	176.3	-175.5	84.2	0	0	0	112.2	L658 S661 A662 Y665 A715 A716 E717 L722 L723	L658-N719 WeakPolarHBondContact CD2-OD1 3.34Å; L658-N719 PolarHBondContact O-ND2 3.24Å; S661-N719 WeakPolarHBondContact CB-OD1 3.28Å; A662-N719 WeakPolarHBondContact CA-ND2 3.37Å; A662-N719 WeakPolarHBondContact CB-ND2 2.87Å; A662-N719 PolarHBondContact N-ND2 2.83Å; Y665-N719 HydrophobicContact CD2-CB 4.04Å; Y665-N719 HydrophobicContact CE2-CB 3.85Å; A715-N719 WeakPolarHBondContact O-CB 3.3Å; A715-N719 PolarHBondContact O-N 3.38Å; A716-N719 PolarHBondContact O-N 2.81Å; E717-N719 VanDerWaalsContact C-N 3.34Å; E717-N719 PolarHBondContact O-N 2.85Å; N719-L722 PolarHBondContact O-N 3.13Å; N719-L723 VanDerWaalsContact O-CB 3.3Å; N719-L723 WeakPolarHBondContact O-CB 3.49Å; N719-L723 PolarHBondContact O-N 3.17Å
720	R	94.1	Very high	95.3	Very high	118 Å²	118	52.5 Å²	52.5	45%	0.445	28%	0.277	S	S	.	.	H	α-helix	trans	-63.3	-44.4	175.7	-174.7	179.7	66.8	81.4	-2.3	111.4	A716 E717 E718 L722 L723 E724	A716-R720 WeakPolarHBondContact O-CB 3.32Å; A716-R720 PolarHBondContact O-N 2.95Å; E717-R720 WeakPolarHBondContact O-CB 3.36Å; E717-R720 PolarHBondContact O-N 2.98Å; E717-R720 IonicContact OE1-NE 3.82Å; E717-R720 IonicContact OE2-CZ 2.73Å; E717-R720 IonicContact OE2-NE 3.51Å; E717-R720 PolarHBondContact OE2-NE 2.85Å; E717-R720 IonicContact OE2-NH2 3.59Å; E717-R720 PolarHBondContact OE2-NH2 2.88Å; E718-R720 VanDerWaalsContact C-N 3.32Å; E718-R720 PolarHBondContact O-N 3.33Å; R720-L722 PolarHBondContact O-N 2.96Å; R720-L723 PolarHBondContact O-N 3.5Å; R720-E724 IonicContact CZ-OE1 3.51Å; R720-E724 IonicContact NH1-OE1 2.64Å; R720-E724 PolarHBondContact NH1-OE1 2.95Å; R720-E724 IonicContact NH1-OE2 3.88Å; R720-E724 WeakPolarHBondContact O-CG 3.29Å; R720-E724 PolarHBondContact O-N 2.78Å
721	A	92.8	Very high	95.2	Very high	53 Å²	53	50.3 Å²	50.3	44%	0.438	27%	0.265	S	S	.	.	H	α-helix	trans	-62.1	-42.7	176.2	0	0	0	0	0	112	E717 E718 E724 Q725	E717-A721 PolarHBondContact O-N 2.82Å; E718-A721 PolarHBondContact O-N 3.48Å; A721-E724 PolarHBondContact O-N 2.82Å; A721-Q725 PolarHBondContact O-N 2.98Å; A721-Q725 VanDerWaalsContact O-N 3.11Å
722	L	94.9	Very high	95.1	Very high	87 Å²	87	48 Å²	48	46%	0.455	25%	0.245	S	C	.	.	H	α-helix	trans	-64.4	-38.8	174.5	-68.7	175.6	0	0	0	112.3	L658 E718 N719 R720 Q725 A726	L658-L722 HydrophobicContact CD1-CB 4.23Å; L658-L722 HydrophobicContact CD2-CB 4.03Å; E718-L722 WeakPolarHBondContact O-CG 3.41Å; E718-L722 PolarHBondContact O-N 2.95Å; N719-L722 PolarHBondContact O-N 3.13Å; R720-L722 PolarHBondContact O-N 2.96Å; L722-Q725 PolarHBondContact O-N 2.91Å; L722-A726 WeakPolarHBondContact O-CB 3.17Å; L722-A726 PolarHBondContact O-N 3.02Å
723	L	95	Very high	95	Very high	24 Å²	24	46.5 Å²	46.5	13%	0.126	24%	0.237	C	C	.	.	H	α-helix	trans	-64	-45.7	177.3	178.2	62.4	0	0	0	111.4	L658 R659 N719 R720 Q725 A726 F727	L658-L723 HydrophobicContact CB-CB 4.24Å; L658-L723 HydrophobicContact CB-CD1 3.83Å; R659-L723 HydrophobicContact CG-CD1 3.57Å; R659-L723 HydrophobicContact CG-CD2 4.19Å; N719-L723 VanDerWaalsContact O-CB 3.3Å; N719-L723 WeakPolarHBondContact O-CB 3.49Å; N719-L723 PolarHBondContact O-N 3.17Å; R720-L723 PolarHBondContact O-N 3.5Å; L723-Q725 VanDerWaalsContact C-N 3.33Å; L723-Q725 PolarHBondContact O-N 3.19Å; L723-A726 PolarHBondContact O-N 2.94Å; L723-F727 WeakPolarHBondContact O-CB 3.49Å; L723-F727 PolarHBondContact O-N 3.26Å
724	E	92.8	Very high	95	Very high	62 Å²	62	44.6 Å²	44.6	29%	0.29	22%	0.222	S	C	.	.	H	α-helix	trans	-59.4	-43.7	175.7	-73.9	172.8	-170.4	0	0	111.5	R720 A721 F727 V728	R720-E724 IonicContact CZ-OE1 3.51Å; R720-E724 IonicContact NH1-OE1 2.64Å; R720-E724 PolarHBondContact NH1-OE1 2.95Å; R720-E724 IonicContact NH1-OE2 3.88Å; R720-E724 WeakPolarHBondContact O-CG 3.29Å; R720-E724 PolarHBondContact O-N 2.78Å; A721-E724 PolarHBondContact O-N 2.82Å; E724-F727 PolarHBondContact O-N 3.49Å; E724-V728 WeakPolarHBondContact O-CG2 3.46Å; E724-V728 PolarHBondContact O-N 2.64Å; E724-V728 VanDerWaalsContact O-N 3.07Å
725	Q	93.4	Very high	94.9	Very high	40 Å²	40	39.7 Å²	39.7	19%	0.187	20%	0.199	C	C	.	.	H	α-helix	trans	-63.3	-46	175.1	-176.4	179.6	32.7	0	0	112	Y498 A721 L722 L723 F727 V728 R729	Y498-Q725 HydrophobicContact CD1-CB 4.22Å; Y498-Q725 HydrophobicContact CD1-CG 3.77Å; Y498-Q725 HydrophobicContact CD2-CG 4.29Å; Y498-Q725 HydrophobicContact CE1-CB 4.15Å; Y498-Q725 HydrophobicContact CE1-CG 4.21Å; Y498-Q725 HydrophobicContact CG-CG 3.82Å; A721-Q725 PolarHBondContact O-N 2.98Å; A721-Q725 VanDerWaalsContact O-N 3.11Å; L722-Q725 PolarHBondContact O-N 2.91Å; L723-Q725 VanDerWaalsContact C-N 3.33Å; L723-Q725 PolarHBondContact O-N 3.19Å; Q725-F727 VanDerWaalsContact C-N 3.29Å; Q725-F727 PolarHBondContact O-N 2.56Å; Q725-V728 PolarHBondContact O-N 3.29Å; Q725-R729 WeakPolarHBondContact O-CG 3.16Å; Q725-R729 PolarHBondContact O-N 3.39Å
726	A	94.9	Very high	94.8	Very high	5 Å²	5	38.6 Å²	38.6	4%	0.041	19%	0.19	C	C	.	.	H	α-helix	trans	-63	-37.2	178.3	0	0	0	0	0	111.8	L658 L722 L723 R729 L730	L658-A726 HydrophobicContact CD1-CB 3.52Å; L722-A726 WeakPolarHBondContact O-CB 3.17Å; L722-A726 PolarHBondContact O-N 3.02Å; L723-A726 PolarHBondContact O-N 2.94Å; A726-R729 PolarHBondContact O-N 3.49Å; A726-L730 WeakPolarHBondContact O-CB 3.41Å; A726-L730 PolarHBondContact O-N 3.12Å
727	F	95.3	Very high	94.8	Very high	9 Å²	9	37.3 Å²	37.3	4%	0.039	18%	0.179	C	C	.	.	H	α-helix	trans	-65.8	-43.4	176.7	-176.8	-113.4	0	0	0	111.9	H655 L723 E724 Q725 R729 L730 R731 L762 L763 W771	H655-F727 AromaticContact NE2-CD2 3.36Å; H655-F727 WeakPolarHBondContact NE2-CD2 3.32Å; H655-F727 AromaticContact NE2-CG 3.88Å; L723-F727 WeakPolarHBondContact O-CB 3.49Å; L723-F727 PolarHBondContact O-N 3.26Å; E724-F727 PolarHBondContact O-N 3.49Å; Q725-F727 VanDerWaalsContact C-N 3.29Å; Q725-F727 PolarHBondContact O-N 2.56Å; F727-R729 PolarHBondContact O-N 2.99Å; F727-L730 WeakPolarHBondContact O-CB 3.43Å; F727-L730 PolarHBondContact O-N 3.16Å; F727-R731 VanDerWaalsContact CE1-CD 3.42Å; F727-R731 HydrophobicContact CE1-CG 4.1Å; F727-R731 HydrophobicContact CE2-CG 4.2Å; F727-R731 HydrophobicContact CZ-CG 3.96Å; F727-R731 WeakPolarHBondContact O-CG 3.36Å; F727-R731 PolarHBondContact O-N 2.99Å; F727-L762 HydrophobicContact CZ-CB 4.49Å; F727-L763 WeakPolarHBondContact CE1-O 3.12Å; F727-W771 HydrophobicContact CD2-CB 4.44Å; F727-W771 HydrophobicContact CE2-CB 3.8Å; F727-W771 HydrophobicContact CE2-CG 4.09Å
728	V	94	Very high	94.7	Very high	10 Å²	10	32.4 Å²	32.4	6%	0.061	16%	0.156	C	C	.	.	H	α-helix	trans	-62.3	-43.2	175	173.7	0	0	0	0	111.2	P466 Y498 P499 A501 E724 Q725 L730 R731 S732	P466-V728 HydrophobicContact CB-CG2 4.36Å; Y498-V728 HydrophobicContact CD2-CB 4.29Å; Y498-V728 HydrophobicContact CD2-CG1 4.07Å; Y498-V728 HydrophobicContact CE2-CB 3.86Å; Y498-V728 HydrophobicContact CE2-CG1 3.93Å; Y498-V728 HydrophobicContact CE2-CG2 3.91Å; P499-V728 WeakPolarHBondContact O-CG1 3.38Å; A501-V728 HydrophobicContact CB-CG1 4.03Å; E724-V728 WeakPolarHBondContact O-CG2 3.46Å; E724-V728 PolarHBondContact O-N 2.64Å; E724-V728 VanDerWaalsContact O-N 3.07Å; Q725-V728 PolarHBondContact O-N 3.29Å; V728-L730 VanDerWaalsContact C-N 3.35Å; V728-L730 PolarHBondContact O-N 2.97Å; V728-R731 PolarHBondContact O-N 2.84Å; V728-S732 PolarHBondContact O-N 2.92Å; V728-S732 PolarHBondContact O-OG 2.91Å
729	R	93.8	Very high	94.6	Very high	86 Å²	86	27.1 Å²	27.1	33%	0.325	13%	0.132	S	C	.	.	H	α-helix	trans	-63	-39.7	175.2	-69.4	179.7	178.4	171.2	2	112.7	E610 Q725 A726 F727 S732 S733	E610-R729 HydrophobicContact CB-CB 4.3Å; E610-R729 HydrophobicContact CG-CB 4.15Å; E610-R729 HydrophobicContact CG-CG 4.11Å; Q725-R729 WeakPolarHBondContact O-CG 3.16Å; Q725-R729 PolarHBondContact O-N 3.39Å; A726-R729 PolarHBondContact O-N 3.49Å; F727-R729 PolarHBondContact O-N 2.99Å; R729-S732 PolarHBondContact O-N 2.87Å; R729-S733 WeakPolarHBondContact O-CB 3.39Å; R729-S733 PolarHBondContact O-N 2.81Å; R729-S733 PolarHBondContact O-OG 3.19Å
730	L	95.8	Very high	94.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.2	-47.1	173.7	175	59.7	0	0	0	110.3	Y648 V652 H655 A726 F727 V728 S732 S733 T734 W771	Y648-L730 HydrophobicContact CE2-CD1 4.03Å; V652-L730 HydrophobicContact CG2-CD1 3.65Å; H655-L730 HydrophobicContact CB-CD2 3.97Å; A726-L730 WeakPolarHBondContact O-CB 3.41Å; A726-L730 PolarHBondContact O-N 3.12Å; F727-L730 WeakPolarHBondContact O-CB 3.43Å; F727-L730 PolarHBondContact O-N 3.16Å; V728-L730 VanDerWaalsContact C-N 3.35Å; V728-L730 PolarHBondContact O-N 2.97Å; L730-S732 PolarHBondContact O-N 2.7Å; L730-S733 CarbonylContact O-C 3.55Å; L730-S733 WeakPolarHBondContact O-CA 3.28Å; L730-S733 WeakPolarHBondContact O-CB 3.45Å; L730-S733 PolarHBondContact O-N 3.44Å; L730-S733 VanDerWaalsContact O-N 3.11Å; L730-T734 PolarHBondContact O-N 2.91Å; L730-T734 PolarHBondContact O-OG1 2.79Å; L730-W771 HydrophobicContact CD1-CH2 4.18Å; L730-W771 HydrophobicContact CD1-CZ2 4.43Å; L730-W771 HydrophobicContact CD1-CZ3 4.4Å; L730-W771 HydrophobicContact CD2-CD2 3.71Å; L730-W771 HydrophobicContact CD2-CE3 3.56Å; L730-W771 HydrophobicContact CD2-CG 4.27Å; L730-W771 HydrophobicContact CD2-CH2 4.27Å; L730-W771 HydrophobicContact CD2-CZ2 4.41Å; L730-W771 HydrophobicContact CD2-CZ3 3.85Å
731	R	95.1	Very high	94.5	Very high	15 Å²	15	20.9 Å²	20.9	6%	0.057	11%	0.108	C	C	.	.	H	α-helix	trans	-58.3	-45.9	176.1	-72.6	-173.3	65.8	-173.4	-5.7	112.3	Q465 A501 F727 V728 S733 T734 H735 L760 L763	Q465-R731 VanDerWaalsContact OE1-NH1 3.07Å; Q465-R731 VanDerWaalsContact OE1-NH2 3.13Å; A501-R731 HydrophobicContact CB-CB 3.79Å; F727-R731 VanDerWaalsContact CE1-CD 3.42Å; F727-R731 HydrophobicContact CE1-CG 4.1Å; F727-R731 HydrophobicContact CE2-CG 4.2Å; F727-R731 HydrophobicContact CZ-CG 3.96Å; F727-R731 WeakPolarHBondContact O-CG 3.36Å; F727-R731 PolarHBondContact O-N 2.99Å; V728-R731 PolarHBondContact O-N 2.84Å; R731-S733 VanDerWaalsContact C-N 3.3Å; R731-S733 PolarHBondContact O-N 2.91Å; R731-T734 PolarHBondContact O-N 2.9Å; R731-H735 WeakPolarHBondContact O-CB 3.15Å; R731-H735 PolarHBondContact O-CD2 2.71Å; R731-H735 PolarHBondContact O-N 2.98Å; R731-L760 HydrophobicContact CB-CD2 4.04Å; R731-L760 HydrophobicContact CG-CD2 3.94Å; R731-L763 PolarHBondContact NH1-O 3.29Å
732	S	94.4	Very high	94.5	Very high	4 Å²	4	19.1 Å²	19.1	3%	0.028	9%	0.092	C	C	.	.	H	α-helix	trans	-56.7	-45.5	173.9	-57.1	0	0	0	0	111.7	A501 W613 V728 R729 L730 T734 H735 L736	A501-S732 VanDerWaalsContact CA-OG 3.31Å; A501-S732 WeakPolarHBondContact CA-OG 3.49Å; W613-S732 WeakPolarHBondContact CB-O 3.43Å; V728-S732 PolarHBondContact O-N 2.92Å; V728-S732 PolarHBondContact O-OG 2.91Å; R729-S732 PolarHBondContact O-N 2.87Å; L730-S732 PolarHBondContact O-N 2.7Å; S732-T734 PolarHBondContact O-N 2.66Å; S732-H735 PolarHBondContact O-N 2.84Å; S732-L736 WeakPolarHBondContact O-CB 3.44Å; S732-L736 PolarHBondContact O-N 3.1Å
733	S	95.3	Very high	94.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63.4	-41.4	178.1	-55.6	0	0	0	0	112	S651 R729 L730 R731 L736 L737	S651-S733 PolarHBondContact OG-OG 3.3Å; R729-S733 WeakPolarHBondContact O-CB 3.39Å; R729-S733 PolarHBondContact O-N 2.81Å; R729-S733 PolarHBondContact O-OG 3.19Å; L730-S733 CarbonylContact O-C 3.55Å; L730-S733 WeakPolarHBondContact O-CA 3.28Å; L730-S733 WeakPolarHBondContact O-CB 3.45Å; L730-S733 PolarHBondContact O-N 3.44Å; L730-S733 VanDerWaalsContact O-N 3.11Å; R731-S733 VanDerWaalsContact C-N 3.3Å; R731-S733 PolarHBondContact O-N 2.91Å; S733-L736 PolarHBondContact O-N 3.11Å; S733-L737 PolarHBondContact O-N 3.2Å
734	T	95.8	Very high	94.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-68.1	-43.5	177.8	-55.1	0	0	0	0	111.5	Y648 L730 R731 S732 L736 L737 V738 L759 L760	Y648-T734 VanDerWaalsContact CE2-OG1 3.29Å; Y648-T734 WeakPolarHBondContact CE2-OG1 3.33Å; Y648-T734 PolarHBondContact OH-OG1 2.9Å; L730-T734 PolarHBondContact O-N 2.91Å; L730-T734 PolarHBondContact O-OG1 2.79Å; R731-T734 PolarHBondContact O-N 2.9Å; S732-T734 PolarHBondContact O-N 2.66Å; T734-L736 VanDerWaalsContact C-N 3.32Å; T734-L736 PolarHBondContact O-N 2.94Å; T734-L737 WeakPolarHBondContact O-CB 3.48Å; T734-L737 PolarHBondContact O-N 3.46Å; T734-V738 WeakPolarHBondContact O-CG2 3.36Å; T734-V738 PolarHBondContact O-N 2.96Å; T734-L759 HydrophobicContact CG2-CB 3.53Å; T734-L760 HydrophobicContact CG2-CD1 4.36Å; T734-L760 HydrophobicContact CG2-CD2 3.97Å; T734-L760 HydrophobicContact CG2-CG 3.8Å
735	H	95.2	Very high	93.9	Very high	17 Å²	17	18.7 Å²	18.7	8%	0.079	8%	0.083	C	C	.	.	H	α-helix	trans	-59.8	-43.3	174.7	-85.6	-70.8	0	0	0	111.7	W613 R731 S732 L737 V738 L739 L760	W613-H735 HydrophobicContact CD2-CB 3.61Å; W613-H735 AromaticContact CE2-CG 3.87Å; W613-H735 HydrophobicContact CE3-CB 3.99Å; W613-H735 HydrophobicContact CG-CB 4.19Å; W613-H735 HydrophobicContact CH2-CB 3.79Å; W613-H735 HydrophobicContact CZ2-CB 3.41Å; W613-H735 VanDerWaalsContact CZ2-CB 3.41Å; W613-H735 AromaticContact CZ2-CG 3.75Å; W613-H735 AromaticContact CZ2-ND1 3.85Å; W613-H735 HydrophobicContact CZ3-CB 4.06Å; W613-H735 WeakPolarHBondContact CZ3-O 3.43Å; R731-H735 WeakPolarHBondContact O-CB 3.15Å; R731-H735 PolarHBondContact O-CD2 2.71Å; R731-H735 PolarHBondContact O-N 2.98Å; S732-H735 PolarHBondContact O-N 2.84Å; H735-L737 VanDerWaalsContact C-N 3.35Å; H735-L737 PolarHBondContact O-N 3.17Å; H735-V738 PolarHBondContact O-N 3.11Å; H735-L739 PolarHBondContact O-N 3.2Å; H735-L760 WeakPolarHBondContact CE1-CD1 3.44Å; H735-L760 WeakPolarHBondContact ND1-CD1 3.41Å
736	L	95.2	Very high	93.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.7	-44.4	174.2	-177.7	57.1	0	0	0	111.5	I551 F609 M612 W613 V616 S732 S733 T734 V738 L739 L740	I551-L736 HydrophobicContact CD1-CD1 3.97Å; I551-L736 HydrophobicContact CD1-CD2 3.71Å; I551-L736 HydrophobicContact CD1-CG 4.14Å; F609-L736 HydrophobicContact CD2-CD2 4.42Å; F609-L736 HydrophobicContact CE1-CD2 4.25Å; F609-L736 HydrophobicContact CE2-CD2 3.88Å; F609-L736 HydrophobicContact CZ-CD2 3.78Å; F609-L736 HydrophobicContact CZ-CG 4.37Å; M612-L736 HydrophobicContact CB-CD2 4.16Å; M612-L736 HydrophobicContact CE-CD2 4.48Å; W613-L736 HydrophobicContact CB-CB 4.13Å; W613-L736 HydrophobicContact CE3-CB 4.01Å; W613-L736 HydrophobicContact CE3-CD1 4.31Å; V616-L736 HydrophobicContact CB-CD1 4.35Å; V616-L736 HydrophobicContact CG1-CD1 4.37Å; V616-L736 HydrophobicContact CG2-CD1 4.39Å; S732-L736 WeakPolarHBondContact O-CB 3.44Å; S732-L736 PolarHBondContact O-N 3.1Å; S733-L736 PolarHBondContact O-N 3.11Å; T734-L736 VanDerWaalsContact C-N 3.32Å; T734-L736 PolarHBondContact O-N 2.94Å; L736-V738 PolarHBondContact O-N 3.36Å; L736-L739 PolarHBondContact O-N 2.85Å; L736-L740 HydrophobicContact CD1-CD1 4.34Å; L736-L740 HydrophobicContact CD1-CG 4.23Å; L736-L740 HydrophobicContact CG-CD1 4.21Å; L736-L740 WeakPolarHBondContact O-CB 3.33Å; L736-L740 VanDerWaalsContact O-CG 3.24Å; L736-L740 WeakPolarHBondContact O-CG 3.26Å; L736-L740 PolarHBondContact O-N 3.25Å
737	L	94.8	Very high	93.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-58.2	-45.9	175.2	-173	76.9	0	0	0	111.7	M643 L645 Y648 S733 T734 H735 L740 L741 L759 I819	M643-L737 HydrophobicContact CE-CD1 3.4Å; M643-L737 VanDerWaalsContact CE-CD1 3.4Å; M643-L737 HydrophobicContact CE-CG 3.9Å; M643-L737 WeakPolarHBondContact CE-O 3.16Å; M643-L737 HydrophobicContact CG-CD1 3.84Å; M643-L737 HydrophobicContact SD-CD1 4.42Å; L645-L737 HydrophobicContact CD2-CD1 3.92Å; Y648-L737 HydrophobicContact CD1-CD2 3.92Å; Y648-L737 HydrophobicContact CE1-CD2 3.8Å; Y648-L737 HydrophobicContact CE2-CD2 4.42Å; Y648-L737 HydrophobicContact CG-CD2 4.27Å; S733-L737 PolarHBondContact O-N 3.2Å; T734-L737 WeakPolarHBondContact O-CB 3.48Å; T734-L737 PolarHBondContact O-N 3.46Å; H735-L737 VanDerWaalsContact C-N 3.35Å; H735-L737 PolarHBondContact O-N 3.17Å; L737-L740 PolarHBondContact O-N 3.04Å; L737-L741 WeakPolarHBondContact O-CG 3.43Å; L737-L741 PolarHBondContact O-N 3.36Å; L737-L759 HydrophobicContact CD2-CD1 4.45Å; L737-I819 HydrophobicContact CD2-CG2 4.3Å
738	V	94.8	Very high	93.1	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-62.3	-44.7	178.8	173.3	0	0	0	0	111.4	T734 H735 L736 L741 S742 T752 L755 E756 L759	T734-V738 WeakPolarHBondContact O-CG2 3.36Å; T734-V738 PolarHBondContact O-N 2.96Å; H735-V738 PolarHBondContact O-N 3.11Å; L736-V738 PolarHBondContact O-N 3.36Å; V738-L741 PolarHBondContact O-N 2.83Å; V738-S742 PolarHBondContact O-N 3.49Å; V738-T752 HydrophobicContact CG1-CG2 4.04Å; V738-L755 HydrophobicContact CG1-CB 4.12Å; V738-E756 HydrophobicContact CG1-CG 3.73Å; V738-L759 HydrophobicContact CG2-CB 4.34Å; V738-L759 HydrophobicContact CG2-CD1 3.79Å
739	L	94.4	Very high	92.8	Very high	26 Å²	26	27.8 Å²	27.8	14%	0.136	16%	0.155	C	C	.	.	H	α-helix	trans	-64.2	-41.3	176.5	178.2	64.8	0	0	0	111.8	W613 V616 H735 L736 L741 S742 L743	W613-L739 HydrophobicContact CE3-CD2 4.33Å; W613-L739 HydrophobicContact CH2-CB 4.36Å; W613-L739 HydrophobicContact CH2-CD2 4.41Å; W613-L739 HydrophobicContact CZ3-CB 3.64Å; W613-L739 HydrophobicContact CZ3-CD2 3.57Å; W613-L739 HydrophobicContact CZ3-CG 4.21Å; V616-L739 HydrophobicContact CG1-CD2 3.71Å; H735-L739 PolarHBondContact O-N 3.2Å; L736-L739 PolarHBondContact O-N 2.85Å; L739-L741 VanDerWaalsContact C-N 3.31Å; L739-L741 PolarHBondContact O-N 2.79Å; L739-S742 PolarHBondContact O-N 2.88Å; L739-S742 PolarHBondContact O-OG 2.81Å; L739-L743 HydrophobicContact CD1-CD1 4.15Å; L739-L743 HydrophobicContact CD1-CG 4.13Å; L739-L743 HydrophobicContact CG-CD1 4.02Å; L739-L743 HydrophobicContact CG-CG 4.38Å; L739-L743 WeakPolarHBondContact O-CB 3.49Å; L739-L743 VanDerWaalsContact O-CG 3.22Å; L739-L743 WeakPolarHBondContact O-CG 3.43Å; L739-L743 PolarHBondContact O-N 3.25Å
740	L	93.9	Very high	92.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.2	-37.1	175.9	-67.3	177.3	0	0	0	111.5	I551 F639 M643 P644 L736 L737 L743 W744	I551-L740 HydrophobicContact CD1-CD1 4.16Å; I551-L740 HydrophobicContact CG2-CD2 3.86Å; F639-L740 HydrophobicContact CB-CD2 4.39Å; F639-L740 HydrophobicContact CD1-CB 4.33Å; F639-L740 HydrophobicContact CD1-CD2 4.17Å; F639-L740 HydrophobicContact CD2-CD2 3.68Å; F639-L740 HydrophobicContact CE1-CB 4.49Å; F639-L740 HydrophobicContact CE1-CD2 4.35Å; F639-L740 HydrophobicContact CE2-CD2 3.91Å; F639-L740 HydrophobicContact CG-CD2 3.82Å; F639-L740 HydrophobicContact CZ-CD1 4.47Å; F639-L740 HydrophobicContact CZ-CD2 4.23Å; M643-L740 HydrophobicContact CE-CB 3.64Å; M643-L740 HydrophobicContact SD-CB 4.05Å; P644-L740 HydrophobicContact CG-CD1 3.75Å; L736-L740 HydrophobicContact CD1-CD1 4.34Å; L736-L740 HydrophobicContact CD1-CG 4.23Å; L736-L740 HydrophobicContact CG-CD1 4.21Å; L736-L740 WeakPolarHBondContact O-CB 3.33Å; L736-L740 VanDerWaalsContact O-CG 3.24Å; L736-L740 WeakPolarHBondContact O-CG 3.26Å; L736-L740 PolarHBondContact O-N 3.25Å; L737-L740 PolarHBondContact O-N 3.04Å; L740-L743 PolarHBondContact O-N 3.2Å; L740-W744 WeakPolarHBondContact O-CB 3.43Å; L740-W744 PolarHBondContact O-N 2.9Å
741	L	92.2	Very high	92.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.7	-43.3	175.7	-77.4	-179.6	0	0	0	110.9	M643 L737 V738 L739 W744 Q745 L755 C823 I826	M643-L741 HydrophobicContact CE-CB 4.1Å; M643-L741 HydrophobicContact CE-CD1 4.45Å; M643-L741 HydrophobicContact CE-CD2 3.37Å; M643-L741 HydrophobicContact CE-CG 3.3Å; M643-L741 HydrophobicContact SD-CD2 4.11Å; L737-L741 WeakPolarHBondContact O-CG 3.43Å; L737-L741 PolarHBondContact O-N 3.36Å; V738-L741 PolarHBondContact O-N 2.83Å; L739-L741 VanDerWaalsContact C-N 3.31Å; L739-L741 PolarHBondContact O-N 2.79Å; L741-W744 HydrophobicContact CD2-CE3 4.3Å; L741-W744 PolarHBondContact O-N 2.83Å; L741-Q745 PolarHBondContact O-N 2.82Å; L741-Q745 VanDerWaalsContact O-N 3.11Å; L741-L755 HydrophobicContact CB-CD1 4.41Å; L741-L755 HydrophobicContact CD1-CD1 4.22Å; L741-C823 HydrophobicContact CD2-CB 4.34Å; L741-I826 HydrophobicContact CD1-CD1 4.47Å
742	S	92.8	Very high	92	Very high	16 Å²	16	30.7 Å²	30.7	11%	0.112	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-40.6	180	72.9	0	0	0	0	111.8	V738 L739 G746 L747	V738-S742 PolarHBondContact O-N 3.49Å; L739-S742 PolarHBondContact O-N 2.88Å; L739-S742 PolarHBondContact O-OG 2.81Å; S742-G746 CarbonylContact O-C 3.57Å; S742-G746 WeakPolarHBondContact O-CA 3.28Å; S742-G746 PolarHBondContact O-N 2.78Å; S742-L747 PolarHBondContact O-N 2.84Å
743	L	91.5	Very high	91.9	Very high	10 Å²	10	32.9 Å²	32.9	5%	0.052	20%	0.197	C	C	.	.	H	α-helix	trans	-72.2	-29.9	175.6	-65.2	178.3	0	0	0	113.5	K637 S638 F639 L739 L740	K637-L743 HydrophobicContact CB-CD2 3.95Å; K637-L743 HydrophobicContact CD-CD2 3.66Å; K637-L743 HydrophobicContact CG-CD2 3.48Å; K637-L743 VanDerWaalsContact CG-CD2 3.48Å; S638-L743 WeakPolarHBondContact CA-O 3.24Å; F639-L743 HydrophobicContact CB-CB 3.81Å; F639-L743 PolarHBondContact N-O 3.39Å; L739-L743 HydrophobicContact CD1-CD1 4.15Å; L739-L743 HydrophobicContact CD1-CG 4.13Å; L739-L743 HydrophobicContact CG-CD1 4.02Å; L739-L743 HydrophobicContact CG-CG 4.38Å; L739-L743 WeakPolarHBondContact O-CB 3.49Å; L739-L743 VanDerWaalsContact O-CG 3.22Å; L739-L743 WeakPolarHBondContact O-CG 3.43Å; L739-L743 PolarHBondContact O-N 3.25Å; L740-L743 PolarHBondContact O-N 3.2Å
744	W	91.2	Very high	91.7	Very high	104 Å²	104	33.9 Å²	33.9	39%	0.394	20%	0.202	S	C	.	.	H	α-helix	trans	-74.4	-44.6	-179.7	-176.7	46.6	0	0	0	112.3	F639 L740 L741	F639-W744 HydrophobicContact CD1-CB 4.3Å; L740-W744 WeakPolarHBondContact O-CB 3.43Å; L740-W744 PolarHBondContact O-N 2.9Å; L741-W744 HydrophobicContact CD2-CE3 4.3Å; L741-W744 PolarHBondContact O-N 2.83Å
745	Q	88.5	Confident	91.5	Very high	49 Å²	49	33.9 Å²	33.9	23%	0.229	20%	0.202	C	C	.	.	H	α-helix	trans	-103.1	0.6	-177	-66.3	-59.1	-39.5	0	0	114.5	L741 L747 I826	L741-Q745 PolarHBondContact O-N 2.82Å; L741-Q745 VanDerWaalsContact O-N 3.11Å; Q745-L747 HydrophobicContact CB-CD2 3.94Å; Q745-L747 HydrophobicContact CB-CG 4.2Å; Q745-I826 HydrophobicContact CB-CG2 4.27Å; Q745-I826 HydrophobicContact CG-CG2 3.73Å
746	G	87.3	Confident	91.4	Very high	60 Å²	60	37 Å²	37	62%	0.619	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	49	-177	0	0	0	0	0	112.1	S742	S742-G746 CarbonylContact O-C 3.57Å; S742-G746 WeakPolarHBondContact O-CA 3.28Å; S742-G746 PolarHBondContact O-N 2.78Å
747	L	89.3	Confident	91.2	Very high	19 Å²	19	40.3 Å²	40.3	10%	0.099	24%	0.244	C	C	.	.			trans	-68.5	147.2	-177.2	-59.3	180	0	0	0	111.3	S742 Q745 Q751 L755	S742-L747 PolarHBondContact O-N 2.84Å; Q745-L747 HydrophobicContact CB-CD2 3.94Å; Q745-L747 HydrophobicContact CB-CG 4.2Å; L747-Q751 HydrophobicContact CB-CB 4.11Å; L747-L755 HydrophobicContact CD1-CD1 3.34Å
748	T	89.3	Confident	91	Very high	68 Å²	68	40.9 Å²	40.9	42%	0.417	25%	0.248	S	C	.	.			trans	-71.7	161.9	174.8	63.1	0	0	0	0	111.2	D750 Q751 T752	T748-D750 VanDerWaalsContact C-N 3.25Å; T748-D750 PolarHBondContact O-N 2.86Å; T748-Q751 PolarHBondContact O-N 3.16Å; T748-Q751 VanDerWaalsContact O-N 3.16Å; T748-Q751 WeakPolarHBondContact OG1-CG 3.26Å; T748-Q751 PolarHBondContact OG1-N 3.09Å; T748-T752 PolarHBondContact O-N 2.86Å; T748-T752 PolarHBondContact O-OG1 3.33Å
749	P	88.3	Confident	91	Very high	108 Å²	108	40.9 Å²	40.9	70%	0.701	25%	0.248	S	C	*	.	H	α-helix	trans	-53.6	-42.3	174.5	-27.5	35.9	0	0	0	112.8	Q751 T752 A753	P749-Q751 PolarHBondContact O-N 2.8Å; P749-T752 PolarHBondContact O-N 2.81Å; P749-A753 WeakPolarHBondContact O-CB 3.3Å; P749-A753 PolarHBondContact O-N 2.89Å
750	D	88.5	Confident	90.9	Very high	123 Å²	123	40.9 Å²	40.9	66%	0.658	25%	0.247	S	C	*	.	H	α-helix	trans	-64.1	-41.6	178.5	-56.7	-24.2	0	0	0	112.2	T748 T752 A753 I754	T748-D750 VanDerWaalsContact C-N 3.25Å; T748-D750 PolarHBondContact O-N 2.86Å; D750-T752 VanDerWaalsContact C-N 3.32Å; D750-T752 PolarHBondContact O-N 3.05Å; D750-A753 PolarHBondContact O-N 2.83Å; D750-I754 VanDerWaalsContact O-CG1 3.3Å; D750-I754 WeakPolarHBondContact O-CG1 3.44Å; D750-I754 PolarHBondContact O-N 2.97Å
751	Q	89.7	Confident	90.5	Very high	16 Å²	16	43.1 Å²	43.1	8%	0.075	26%	0.262	C	S	.	.	H	α-helix	trans	-66.5	-37	176.1	-72.3	-176.5	-22.1	0	0	112.1	L747 T748 P749 I754 L755 L832	L747-Q751 HydrophobicContact CB-CB 4.11Å; T748-Q751 PolarHBondContact O-N 3.16Å; T748-Q751 VanDerWaalsContact O-N 3.16Å; T748-Q751 WeakPolarHBondContact OG1-CG 3.26Å; T748-Q751 PolarHBondContact OG1-N 3.09Å; P749-Q751 PolarHBondContact O-N 2.8Å; Q751-I754 PolarHBondContact O-N 3.44Å; Q751-L755 PolarHBondContact O-N 3.33Å; Q751-L832 HydrophobicContact CG-CB 4.2Å; Q751-L832 WeakPolarHBondContact CG-O 3.09Å; Q751-L832 PolarHBondContact NE2-O 2.87Å
752	T	90.8	Very high	90.2	Very high	23 Å²	23	44.7 Å²	44.7	14%	0.141	27%	0.27	C	S	.	.	H	α-helix	trans	-66.3	-42.8	175.5	-51.9	0	0	0	0	110.1	V738 T748 P749 D750 I754 L755 E756	V738-T752 HydrophobicContact CG1-CG2 4.04Å; T748-T752 PolarHBondContact O-N 2.86Å; T748-T752 PolarHBondContact O-OG1 3.33Å; P749-T752 PolarHBondContact O-N 2.81Å; D750-T752 VanDerWaalsContact C-N 3.32Å; D750-T752 PolarHBondContact O-N 3.05Å; T752-I754 VanDerWaalsContact C-N 3.34Å; T752-I754 PolarHBondContact O-N 2.92Å; T752-L755 WeakPolarHBondContact O-CB 3.43Å; T752-L755 PolarHBondContact O-N 3.16Å; T752-L755 VanDerWaalsContact O-N 3.12Å; T752-E756 WeakPolarHBondContact O-CG 3.49Å; T752-E756 PolarHBondContact O-N 2.73Å
753	A	91.1	Very high	89.6	Confident	51 Å²	51	49.4 Å²	49.4	42%	0.421	29%	0.294	S	S	.	.	H	α-helix	trans	-62	-38.7	175.3	0	0	0	0	0	112.6	P749 D750 E756 A757	P749-A753 WeakPolarHBondContact O-CB 3.3Å; P749-A753 PolarHBondContact O-N 2.89Å; D750-A753 PolarHBondContact O-N 2.83Å; A753-E756 PolarHBondContact O-N 2.84Å; A753-A757 WeakPolarHBondContact O-CB 3.37Å; A753-A757 PolarHBondContact O-N 2.96Å
754	I	91.1	Very high	89.2	Confident	21 Å²	21	54.5 Å²	54.5	11%	0.108	32%	0.317	C	S	.	.	H	α-helix	trans	-62.4	-43.7	173.1	-65.8	164.3	0	0	0	110.7	D750 Q751 T752 A757 T758 L782 L832 L834	D750-I754 VanDerWaalsContact O-CG1 3.3Å; D750-I754 WeakPolarHBondContact O-CG1 3.44Å; D750-I754 PolarHBondContact O-N 2.97Å; Q751-I754 PolarHBondContact O-N 3.44Å; T752-I754 VanDerWaalsContact C-N 3.34Å; T752-I754 PolarHBondContact O-N 2.92Å; I754-A757 PolarHBondContact O-N 2.95Å; I754-T758 WeakPolarHBondContact O-CB 3.42Å; I754-T758 PolarHBondContact O-N 2.89Å; I754-T758 PolarHBondContact O-OG1 2.88Å; I754-L782 HydrophobicContact CG2-CD1 3.99Å; I754-L832 HydrophobicContact CD1-CB 4.3Å; I754-L832 HydrophobicContact CG2-CB 4.3Å; I754-L832 HydrophobicContact CG2-CD1 4.48Å; I754-L834 HydrophobicContact CD1-CD1 4.19Å; I754-L834 HydrophobicContact CD1-CG 3.85Å; I754-L834 HydrophobicContact CG1-CD1 3.82Å; I754-L834 HydrophobicContact CG1-CG 3.94Å
755	L	92	Very high	88.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.2	-42.9	176.9	-77.6	175.7	0	0	0	112.7	V738 L741 L747 Q751 T752 T758 L759 L782 L822 I826 L832	V738-L755 HydrophobicContact CG1-CB 4.12Å; L741-L755 HydrophobicContact CB-CD1 4.41Å; L741-L755 HydrophobicContact CD1-CD1 4.22Å; L747-L755 HydrophobicContact CD1-CD1 3.34Å; Q751-L755 PolarHBondContact O-N 3.33Å; T752-L755 WeakPolarHBondContact O-CB 3.43Å; T752-L755 PolarHBondContact O-N 3.16Å; T752-L755 VanDerWaalsContact O-N 3.12Å; L755-T758 PolarHBondContact O-N 3.35Å; L755-L759 PolarHBondContact O-N 3.48Å; L755-L782 HydrophobicContact CD2-CD2 4.42Å; L755-L822 HydrophobicContact CD2-CD2 4.26Å; L755-I826 HydrophobicContact CD1-CD1 4.31Å; L755-I826 HydrophobicContact CD2-CD1 3.9Å; L755-L832 HydrophobicContact CD1-CD1 3.96Å; L755-L832 HydrophobicContact CD2-CD1 3.5Å; L755-L832 HydrophobicContact CG-CD1 3.37Å
756	E	92.3	Very high	88.8	Confident	82 Å²	82	51.5 Å²	51.5	38%	0.383	31%	0.313	S	S	.	.	H	α-helix	trans	-58.5	-50.3	174.9	-72.6	-178	170.7	0	0	110.1	V738 T752 A753 T758 L759 L760	V738-E756 HydrophobicContact CG1-CG 3.73Å; T752-E756 WeakPolarHBondContact O-CG 3.49Å; T752-E756 PolarHBondContact O-N 2.73Å; A753-E756 PolarHBondContact O-N 2.84Å; E756-T758 PolarHBondContact O-N 3Å; E756-L759 PolarHBondContact O-N 2.84Å; E756-L760 WeakPolarHBondContact O-CA 3.35Å; E756-L760 VanDerWaalsContact O-CB 3.28Å; E756-L760 WeakPolarHBondContact O-CB 3.28Å; E756-L760 PolarHBondContact O-N 3.27Å
757	A	91.5	Very high	88.5	Confident	69 Å²	69	53.8 Å²	53.8	57%	0.57	32%	0.317	S	S	*	.	H	α-helix	trans	-62.1	-30.3	177.4	0	0	0	0	0	113.4	A753 I754	A753-A757 WeakPolarHBondContact O-CB 3.37Å; A753-A757 PolarHBondContact O-N 2.96Å; I754-A757 PolarHBondContact O-N 2.95Å
758	T	91.4	Very high	88.2	Confident	13 Å²	13	60 Å²	60	8%	0.08	35%	0.346	C	S	.	.	H	α-helix	trans	-77.2	-43.5	-179.7	-58.4	0	0	0	0	112.3	I754 L755 E756 A778 V779 L782	I754-T758 WeakPolarHBondContact O-CB 3.42Å; I754-T758 PolarHBondContact O-N 2.89Å; I754-T758 PolarHBondContact O-OG1 2.88Å; L755-T758 PolarHBondContact O-N 3.35Å; E756-T758 PolarHBondContact O-N 3Å; T758-A778 HydrophobicContact CG2-CB 3.82Å; T758-V779 HydrophobicContact CG2-CB 4.44Å; T758-V779 HydrophobicContact CG2-CG2 3.75Å; T758-L782 HydrophobicContact CG2-CD2 4.09Å
759	L	93.8	Very high	88.1	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-95.1	-19.3	-174.1	-65.1	177.6	0	0	0	113.2	T734 L737 V738 L755 E756 P761 W771 V779 I819 L822	T734-L759 HydrophobicContact CG2-CB 3.53Å; L737-L759 HydrophobicContact CD2-CD1 4.45Å; V738-L759 HydrophobicContact CG2-CB 4.34Å; V738-L759 HydrophobicContact CG2-CD1 3.79Å; L755-L759 PolarHBondContact O-N 3.48Å; E756-L759 PolarHBondContact O-N 2.84Å; L759-P761 WeakPolarHBondContact O-CD 3.03Å; L759-W771 PolarHBondContact O-NE1 3.39Å; L759-V779 HydrophobicContact CD2-CG2 3.64Å; L759-I819 HydrophobicContact CD2-CG1 4.37Å; L759-L822 HydrophobicContact CD2-CD2 4.41Å
760	L	91.8	Very high	88.3	Confident	25 Å²	25	54.1 Å²	54.1	13%	0.131	31%	0.305	C	S	.	.			trans	-121.3	60.5	176.4	-62.7	147.9	0	0	0	110.6	R731 T734 H735 E756 L762	R731-L760 HydrophobicContact CB-CD2 4.04Å; R731-L760 HydrophobicContact CG-CD2 3.94Å; T734-L760 HydrophobicContact CG2-CD1 4.36Å; T734-L760 HydrophobicContact CG2-CD2 3.97Å; T734-L760 HydrophobicContact CG2-CG 3.8Å; H735-L760 WeakPolarHBondContact CE1-CD1 3.44Å; H735-L760 WeakPolarHBondContact ND1-CD1 3.41Å; E756-L760 WeakPolarHBondContact O-CA 3.35Å; E756-L760 VanDerWaalsContact O-CB 3.28Å; E756-L760 WeakPolarHBondContact O-CB 3.28Å; E756-L760 PolarHBondContact O-N 3.27Å; L760-L762 VanDerWaalsContact C-N 3.26Å; L760-L762 PolarHBondContact O-N 3.23Å
761	P	86	Confident	88.6	Confident	48 Å²	48	48.3 Å²	48.3	31%	0.312	27%	0.274	S	S	.	.			trans	-71.6	-19.4	-174.6	29.4	-36.1	0	0	0	113.8	L759	L759-P761 WeakPolarHBondContact O-CD 3.03Å
762	L	86.3	Confident	88.8	Confident	33 Å²	33	47.6 Å²	47.6	17%	0.173	27%	0.271	C	S	.	.			trans	-128.5	147.4	-171.3	-60.9	174.6	0	0	0	111.5	F727 L760 L769 G770	F727-L762 HydrophobicContact CZ-CB 4.49Å; L760-L762 VanDerWaalsContact C-N 3.26Å; L760-L762 PolarHBondContact O-N 3.23Å; L762-L769 HydrophobicContact CD1-CD2 4.5Å; L762-L769 HydrophobicContact CD1-CG 4.27Å; L762-L769 HydrophobicContact CD2-CD2 3.83Å; L762-L769 HydrophobicContact CD2-CG 4.47Å; L762-G770 WeakPolarHBondContact CD1-O 3.21Å
763	L	79.4	Confident	88.8	Confident	114 Å²	114	47.1 Å²	47.1	60%	0.597	27%	0.267	S	S	*	.	S	Bend	trans	-90.8	-22.8	172.8	-68.8	176.4	0	0	0	113.4	F727 R731	F727-L763 WeakPolarHBondContact CE1-O 3.12Å; R731-L763 PolarHBondContact NH1-O 3.29Å
764	Q	83.2	Confident	88.9	Confident	118 Å²	118	45.4 Å²	45.4	55%	0.551	25%	0.252	S	S	*	.	S	Bend	trans	-156.4	150	175.9	-169.9	178.6	-1.7	0	0	109
765	D	85.9	Confident	89	Confident	23 Å²	23	44.4 Å²	44.4	12%	0.123	25%	0.247	C	C	.	.			trans	-73.3	142.7	169.1	-87.7	-0.4	0	0	0	111.8	H655 R659 G770 W771	H655-D765 IonicContact CE1-OD2 2.62Å; H655-D765 PolarHBondContact CE1-OD2 3.15Å; H655-D765 IonicContact NE2-OD2 2.96Å; H655-D765 PolarHBondContact NE2-OD2 2.99Å; R659-D765 VanDerWaalsContact CD-OD2 3.24Å; R659-D765 WeakPolarHBondContact CD-OD2 3.23Å; R659-D765 IonicContact CZ-OD2 3.83Å; R659-D765 IonicContact NE-OD2 2.85Å; R659-D765 PolarHBondContact NE-OD2 3.33Å; D765-G770 WeakPolarHBondContact OD1-CA 3.34Å; D765-W771 PolarHBondContact OD1-N 2.83Å
766	T	86.3	Confident	88.9	Confident	67 Å²	67	45.3 Å²	45.3	41%	0.411	25%	0.252	S	S	.	.			trans	-116.1	160.9	170.9	65.9	0	0	0	0	110	Q768 L769	T766-Q768 PolarHBondContact O-N 3.06Å; T766-Q768 VanDerWaalsContact O-N 3.15Å; T766-L769 WeakPolarHBondContact CA-O 3.48Å; T766-L769 PolarHBondContact N-O 2.85Å; T766-L769 CarbonylContact O-C 3.57Å; T766-L769 PolarHBondContact O-N 2.85Å; T766-L769 VanDerWaalsContact O-O 3.11Å; T766-L769 PolarHBondContact OG1-N 2.82Å; T766-L769 PolarHBondContact OG1-O 2.86Å
767	P	79.9	Confident	88.8	Confident	107 Å²	107	42.6 Å²	42.6	70%	0.695	24%	0.243	S	C	*	.	S	Bend	trans	-57.6	-29.4	177.5	-26	35.2	0	0	0	114
768	Q	82.7	Confident	88.7	Confident	151 Å²	151	40.7 Å²	40.7	71%	0.706	23%	0.227	S	C	*	.	S	Bend	trans	-94.2	-31.3	-178.8	-60.5	83.8	2.5	0	0	113.5	T766	T766-Q768 PolarHBondContact O-N 3.06Å; T766-Q768 VanDerWaalsContact O-N 3.15Å
769	L	88.9	Confident	88.7	Confident	52 Å²	52	40 Å²	40	27%	0.272	22%	0.223	S	C	.	.			trans	-137.7	122.1	-174.2	-174.4	73.9	0	0	0	109.8	L762 T766 E773 S774 L806	L762-L769 HydrophobicContact CD1-CD2 4.5Å; L762-L769 HydrophobicContact CD1-CG 4.27Å; L762-L769 HydrophobicContact CD2-CD2 3.83Å; L762-L769 HydrophobicContact CD2-CG 4.47Å; T766-L769 WeakPolarHBondContact CA-O 3.48Å; T766-L769 PolarHBondContact N-O 2.85Å; T766-L769 CarbonylContact O-C 3.57Å; T766-L769 PolarHBondContact O-N 2.85Å; T766-L769 VanDerWaalsContact O-O 3.11Å; T766-L769 PolarHBondContact OG1-N 2.82Å; T766-L769 PolarHBondContact OG1-O 2.86Å; L769-E773 HydrophobicContact CD1-CG 4.23Å; L769-S774 WeakPolarHBondContact CD1-OG 3.44Å; L769-L806 HydrophobicContact CD1-CB 4.11Å; L769-L806 HydrophobicContact CD1-CD1 3.94Å; L769-L806 HydrophobicContact CD1-CG 4.48Å
770	G	91.6	Very high	88.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.226	C	C	.	.			trans	-132.2	-171.5	169.8	0	0	0	0	0	113.3	R659 L762 D765 E773 S774	R659-G770 VanDerWaalsContact NH1-CA 3.3Å; L762-G770 WeakPolarHBondContact CD1-O 3.21Å; D765-G770 WeakPolarHBondContact OD1-CA 3.34Å; G770-E773 PolarHBondContact N-OE1 2.76Å; G770-S774 WeakPolarHBondContact O-CB 3.27Å; G770-S774 PolarHBondContact O-N 2.69Å; G770-S774 PolarHBondContact O-OG 2.88Å
771	W	94.9	Very high	88.1	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68.6	-42	-162.8	-179.7	83.8	0	0	0	114.4	Y648 V652 F727 L730 L759 D765 S774 C775 L815 I819	Y648-W771 WeakPolarHBondContact OH-CH2 3.12Å; Y648-W771 VanDerWaalsContact OH-CZ2 3.23Å; Y648-W771 WeakPolarHBondContact OH-CZ2 3.39Å; V652-W771 HydrophobicContact CB-CZ3 4.4Å; V652-W771 HydrophobicContact CG1-CZ3 3.92Å; V652-W771 HydrophobicContact CG2-CH2 3.7Å; V652-W771 HydrophobicContact CG2-CZ3 3.79Å; F727-W771 HydrophobicContact CD2-CB 4.44Å; F727-W771 HydrophobicContact CE2-CB 3.8Å; F727-W771 HydrophobicContact CE2-CG 4.09Å; L730-W771 HydrophobicContact CD1-CH2 4.18Å; L730-W771 HydrophobicContact CD1-CZ2 4.43Å; L730-W771 HydrophobicContact CD1-CZ3 4.4Å; L730-W771 HydrophobicContact CD2-CD2 3.71Å; L730-W771 HydrophobicContact CD2-CE3 3.56Å; L730-W771 HydrophobicContact CD2-CG 4.27Å; L730-W771 HydrophobicContact CD2-CH2 4.27Å; L730-W771 HydrophobicContact CD2-CZ2 4.41Å; L730-W771 HydrophobicContact CD2-CZ3 3.85Å; L759-W771 PolarHBondContact O-NE1 3.39Å; D765-W771 PolarHBondContact OD1-N 2.83Å; W771-S774 PolarHBondContact O-N 3.09Å; W771-C775 HydrophobicContact CD2-CB 4.26Å; W771-C775 HydrophobicContact CZ2-CB 4.13Å; W771-C775 WeakPolarHBondContact O-CB 3.13Å; W771-C775 PolarHBondContact O-N 3.22Å; W771-L815 HydrophobicContact CE3-CD2 4.32Å; W771-L815 HydrophobicContact CH2-CD2 4.17Å; W771-L815 HydrophobicContact CZ3-CD2 3.62Å; W771-I819 HydrophobicContact CH2-CD1 4.35Å
772	E	93.9	Very high	88.1	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.009	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-50.9	-172.4	-69	82.8	170.9	0	0	112.4	H655 F656 R659 D776 P809 L815	H655-E772 IonicContact CE1-OE1 3.24Å; H655-E772 IonicContact CE1-OE2 2.83Å; H655-E772 IonicContact CG-OE1 2.57Å; H655-E772 IonicContact ND1-OE1 2.75Å; H655-E772 PolarHBondContact ND1-OE1 2.95Å; H655-E772 IonicContact ND1-OE2 3.23Å; F656-E772 WeakPolarHBondContact CA-OE1 2.96Å; F656-E772 WeakPolarHBondContact CB-OE1 3.06Å; F656-E772 HydrophobicContact CD2-CG 4.21Å; F656-E772 PolarHBondContact N-OE1 3.41Å; R659-E772 WeakPolarHBondContact CD-OE2 3.38Å; R659-E772 IonicContact CZ-OE2 3.77Å; R659-E772 IonicContact NE-OE2 3.87Å; R659-E772 IonicContact NH1-OE2 2.99Å; R659-E772 PolarHBondContact NH1-OE2 2.92Å; E772-D776 WeakPolarHBondContact O-CB 3.34Å; E772-D776 PolarHBondContact O-N 3.47Å; E772-P809 HydrophobicContact CB-CG 3.94Å; E772-L815 HydrophobicContact CB-CD2 3.97Å; E772-L815 HydrophobicContact CG-CD2 4.01Å
773	E	91.8	Very high	88	Confident	13 Å²	13	41.4 Å²	41.4	6%	0.061	23%	0.225	C	C	.	.	H	α-helix	trans	-67.5	-38.3	179.5	58.6	-87.5	-153.6	0	0	112.5	R659 L769 G770 A777 L806 G807	R659-E773 IonicContact CZ-OE1 2.96Å; R659-E773 IonicContact CZ-OE2 3.04Å; R659-E773 IonicContact NH1-OE1 2.72Å; R659-E773 PolarHBondContact NH1-OE1 3.25Å; R659-E773 IonicContact NH1-OE2 3.84Å; R659-E773 PolarHBondContact NH1-OE2 3.34Å; R659-E773 IonicContact NH2-OE1 3.69Å; R659-E773 PolarHBondContact NH2-OE1 3.05Å; R659-E773 IonicContact NH2-OE2 3.94Å; L769-E773 HydrophobicContact CD1-CG 4.23Å; G770-E773 PolarHBondContact N-OE1 2.76Å; E773-A777 VanDerWaalsContact O-CB 3.3Å; E773-A777 WeakPolarHBondContact O-CB 3.41Å; E773-A777 PolarHBondContact O-N 2.83Å; E773-L806 HydrophobicContact CB-CD2 4.45Å; E773-G807 WeakPolarHBondContact CB-O 3.28Å
774	S	92.4	Very high	88.1	Confident	14 Å²	14	40.7 Å²	40.7	10%	0.098	21%	0.214	C	C	.	.	H	α-helix	trans	-67.3	-46.5	177.6	-57.2	0	0	0	0	111.2	L769 G770 W771 A777 A778	L769-S774 WeakPolarHBondContact CD1-OG 3.44Å; G770-S774 WeakPolarHBondContact O-CB 3.27Å; G770-S774 PolarHBondContact O-N 2.69Å; G770-S774 PolarHBondContact O-OG 2.88Å; W771-S774 PolarHBondContact O-N 3.09Å; S774-A777 PolarHBondContact O-N 2.82Å; S774-A778 WeakPolarHBondContact O-CB 3.31Å; S774-A778 PolarHBondContact O-N 2.91Å
775	C	93	Very high	87.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.9	-43.5	178.5	-172	0	0	0	0	110.9	W771 A777 A778 V779 L815	W771-C775 HydrophobicContact CD2-CB 4.26Å; W771-C775 HydrophobicContact CZ2-CB 4.13Å; W771-C775 WeakPolarHBondContact O-CB 3.13Å; W771-C775 PolarHBondContact O-N 3.22Å; C775-A777 VanDerWaalsContact C-N 3.31Å; C775-A777 PolarHBondContact O-N 3.5Å; C775-A778 PolarHBondContact O-N 3.39Å; C775-V779 WeakPolarHBondContact O-CB 3.37Å; C775-V779 VanDerWaalsContact O-CG2 3.22Å; C775-V779 WeakPolarHBondContact O-CG2 3.37Å; C775-V779 PolarHBondContact O-N 2.77Å; C775-L815 HydrophobicContact CB-CD1 4.22Å
776	D	90.9	Very high	87.6	Confident	20 Å²	20	37.7 Å²	37.7	11%	0.107	21%	0.208	C	C	.	.	H	α-helix	trans	-60.8	-42.2	176.9	-170.4	56.1	0	0	0	111.3	E772 S780 R814 L815 H818	E772-D776 WeakPolarHBondContact O-CB 3.34Å; E772-D776 PolarHBondContact O-N 3.47Å; D776-S780 WeakPolarHBondContact O-CA 3.37Å; D776-S780 WeakPolarHBondContact O-CB 3.2Å; D776-S780 PolarHBondContact O-N 2.94Å; D776-S780 PolarHBondContact O-OG 2.88Å; D776-R814 IonicContact OD1-NE 3.46Å; D776-R814 IonicContact OD2-CZ 3.94Å; D776-R814 VanDerWaalsContact OD2-CZ 3.24Å; D776-R814 IonicContact OD2-NE 2.82Å; D776-R814 PolarHBondContact OD2-NE 3.47Å; D776-R814 IonicContact OD2-NH2 3.29Å; D776-R814 PolarHBondContact OD2-NH2 3.33Å; D776-L815 HydrophobicContact CB-CD1 3.89Å; D776-H818 IonicContact OD1-CE1 2.59Å; D776-H818 IonicContact OD1-CG 3.82Å; D776-H818 IonicContact OD1-ND1 2.71Å; D776-H818 PolarHBondContact OD1-ND1 2.78Å; D776-H818 IonicContact OD2-ND1 2.61Å
777	A	89.4	Confident	87.2	Confident	24 Å²	24	35.1 Å²	35.1	20%	0.198	19%	0.191	C	C	.	.	H	α-helix	trans	-63.5	-47.4	178	0	0	0	0	0	111.6	E773 S774 C775 S780 H781 P804 L806	E773-A777 VanDerWaalsContact O-CB 3.3Å; E773-A777 WeakPolarHBondContact O-CB 3.41Å; E773-A777 PolarHBondContact O-N 2.83Å; S774-A777 PolarHBondContact O-N 2.82Å; C775-A777 VanDerWaalsContact C-N 3.31Å; C775-A777 PolarHBondContact O-N 3.5Å; A777-S780 PolarHBondContact O-N 2.95Å; A777-H781 WeakPolarHBondContact O-CB 3.14Å; A777-H781 PolarHBondContact O-N 3.26Å; A777-P804 HydrophobicContact CB-CG 4.06Å; A777-L806 HydrophobicContact CB-CD2 3.85Å
778	A	90.1	Very high	87	Confident	29 Å²	29	31.4 Å²	31.4	24%	0.24	17%	0.168	C	C	.	.	H	α-helix	trans	-65	-46.7	179.4	0	0	0	0	0	112	T758 S774 C775 H781 L782	T758-A778 HydrophobicContact CG2-CB 3.82Å; S774-A778 WeakPolarHBondContact O-CB 3.31Å; S774-A778 PolarHBondContact O-N 2.91Å; C775-A778 PolarHBondContact O-N 3.39Å; A778-H781 PolarHBondContact O-N 3.33Å; A778-L782 WeakPolarHBondContact O-CB 3.36Å; A778-L782 PolarHBondContact O-N 2.85Å
779	V	90.2	Very high	86.2	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.6	-43.2	176.8	174.5	0	0	0	0	110.6	T758 L759 C775 H781 L782 L783 H818 I819 L822	T758-V779 HydrophobicContact CG2-CB 4.44Å; T758-V779 HydrophobicContact CG2-CG2 3.75Å; L759-V779 HydrophobicContact CD2-CG2 3.64Å; C775-V779 WeakPolarHBondContact O-CB 3.37Å; C775-V779 VanDerWaalsContact O-CG2 3.22Å; C775-V779 WeakPolarHBondContact O-CG2 3.37Å; C775-V779 PolarHBondContact O-N 2.77Å; V779-H781 VanDerWaalsContact C-N 3.32Å; V779-H781 PolarHBondContact O-N 3.27Å; V779-L782 PolarHBondContact O-N 3.29Å; V779-L783 HydrophobicContact CG1-CD1 3.79Å; V779-L783 HydrophobicContact CG1-CG 4.19Å; V779-L783 WeakPolarHBondContact O-CB 3.37Å; V779-L783 VanDerWaalsContact O-CG 3.24Å; V779-L783 WeakPolarHBondContact O-CG 3.49Å; V779-L783 PolarHBondContact O-N 2.85Å; V779-H818 HydrophobicContact CG1-CB 3.88Å; V779-I819 HydrophobicContact CG2-CG1 4.44Å; V779-L822 HydrophobicContact CG1-CB 4.17Å; V779-L822 HydrophobicContact CG1-CD2 4.15Å; V779-L822 HydrophobicContact CG2-CD2 4.22Å
780	S	87.3	Confident	85	Confident	8 Å²	8	32.2 Å²	32.2	6%	0.056	17%	0.166	C	C	.	.	H	α-helix	trans	-60	-43.1	176.2	-67.5	0	0	0	0	111.5	D776 A777 L783 R784 H818	D776-S780 WeakPolarHBondContact O-CA 3.37Å; D776-S780 WeakPolarHBondContact O-CB 3.2Å; D776-S780 PolarHBondContact O-N 2.94Å; D776-S780 PolarHBondContact O-OG 2.88Å; A777-S780 PolarHBondContact O-N 2.95Å; S780-L783 PolarHBondContact O-N 3Å; S780-R784 WeakPolarHBondContact O-CB 3.44Å; S780-R784 VanDerWaalsContact O-CG 3.24Å; S780-R784 WeakPolarHBondContact O-CG 3.14Å; S780-R784 PolarHBondContact O-N 3.38Å; S780-R784 VanDerWaalsContact O-N 3.12Å; S780-H818 PolarHBondContact OG-CE1 3.13Å; S780-H818 PolarHBondContact OG-ND1 2.81Å
781	H	85.6	Confident	83.5	Confident	114 Å²	114	37 Å²	37	53%	0.528	20%	0.197	S	C	.	.	H	α-helix	trans	-61.3	-50.5	176.2	-179.3	-97.7	0	0	0	110.8	A777 A778 V779 L783 R784 S785	A777-H781 WeakPolarHBondContact O-CB 3.14Å; A777-H781 PolarHBondContact O-N 3.26Å; A778-H781 PolarHBondContact O-N 3.33Å; V779-H781 VanDerWaalsContact C-N 3.32Å; V779-H781 PolarHBondContact O-N 3.27Å; H781-L783 VanDerWaalsContact C-N 3.31Å; H781-L783 PolarHBondContact O-N 3.45Å; H781-R784 PolarHBondContact O-N 3.09Å; H781-S785 PolarHBondContact O-N 2.78Å; H781-S785 PolarHBondContact O-OG 3.28Å
782	L	86.5	Confident	81.7	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-61.4	-38	-179.9	-164.4	68.9	0	0	0	112.9	I754 L755 T758 A778 V779 R784 C786 L787 L822 L832	I754-L782 HydrophobicContact CG2-CD1 3.99Å; L755-L782 HydrophobicContact CD2-CD2 4.42Å; T758-L782 HydrophobicContact CG2-CD2 4.09Å; A778-L782 WeakPolarHBondContact O-CB 3.36Å; A778-L782 PolarHBondContact O-N 2.85Å; V779-L782 PolarHBondContact O-N 3.29Å; L782-R784 VanDerWaalsContact C-N 3.3Å; L782-R784 PolarHBondContact O-N 3.07Å; L782-C786 HydrophobicContact CD1-CB 4.12Å; L782-C786 PolarHBondContact O-N 3.42Å; L782-L787 PolarHBondContact O-N 2.8Å; L782-L787 VanDerWaalsContact O-N 3.16Å; L782-L822 HydrophobicContact CD2-CD1 3.91Å; L782-L832 HydrophobicContact CD1-CD2 4.04Å; L782-L832 HydrophobicContact CD2-CD1 4.33Å; L782-L832 HydrophobicContact CD2-CD2 3.76Å; L782-L832 HydrophobicContact CG-CD2 3.9Å
783	L	84.6	Confident	79.9	Confident	10 Å²	10	49.6 Å²	49.6	5%	0.052	26%	0.257	C	S	.	.	H	α-helix	trans	-66.7	-29.8	175.2	-75.9	172.8	0	0	0	113.1	V779 S780 H781 L787 S788 H818 L821 L822 R825	V779-L783 HydrophobicContact CG1-CD1 3.79Å; V779-L783 HydrophobicContact CG1-CG 4.19Å; V779-L783 WeakPolarHBondContact O-CB 3.37Å; V779-L783 VanDerWaalsContact O-CG 3.24Å; V779-L783 WeakPolarHBondContact O-CG 3.49Å; V779-L783 PolarHBondContact O-N 2.85Å; S780-L783 PolarHBondContact O-N 3Å; H781-L783 VanDerWaalsContact C-N 3.31Å; H781-L783 PolarHBondContact O-N 3.45Å; L783-L787 HydrophobicContact CD2-CB 4.49Å; L783-L787 HydrophobicContact CD2-CD1 4.33Å; L783-L787 CarbonylContact O-C 3.59Å; L783-S788 WeakPolarHBondContact O-CA 3.42Å; L783-S788 PolarHBondContact O-N 2.87Å; L783-S788 VanDerWaalsContact O-N 3.16Å; L783-H818 HydrophobicContact CD1-CB 4.09Å; L783-L821 HydrophobicContact CD1-CD2 4.21Å; L783-L821 HydrophobicContact CD2-CD2 4.41Å; L783-L821 HydrophobicContact CD2-CG 4.18Å; L783-L822 HydrophobicContact CD2-CB 4.23Å; L783-L822 HydrophobicContact CD2-CD1 4.37Å; L783-R825 PolarHBondContact O-NH1 3.07Å
784	R	81.4	Confident	78.3	Confident	99 Å²	99	52.6 Å²	52.6	37%	0.374	27%	0.271	S	S	.	.	H	α-helix	trans	-88.9	-34.9	179.9	-70.5	176.3	-163.7	-179.8	3.2	112.7	S780 H781 L782 S788 Q794 S797	S780-R784 WeakPolarHBondContact O-CB 3.44Å; S780-R784 VanDerWaalsContact O-CG 3.24Å; S780-R784 WeakPolarHBondContact O-CG 3.14Å; S780-R784 PolarHBondContact O-N 3.38Å; S780-R784 VanDerWaalsContact O-N 3.12Å; H781-R784 PolarHBondContact O-N 3.09Å; L782-R784 VanDerWaalsContact C-N 3.3Å; L782-R784 PolarHBondContact O-N 3.07Å; R784-S788 VanDerWaalsContact O-CB 3.31Å; R784-S788 WeakPolarHBondContact O-CB 3.48Å; R784-Q794 WeakPolarHBondContact O-CG 3.34Å; R784-S797 VanDerWaalsContact CD-OG 3.28Å; R784-S797 WeakPolarHBondContact CD-OG 3.36Å
785	S	78.7	Confident	76.4	Confident	45 Å²	45	54.8 Å²	54.8	32%	0.315	29%	0.29	S	S	.	.	H	α-helix	trans	-87.6	-63.3	-178.6	58.7	0	0	0	0	111.8	H781 Q794	H781-S785 PolarHBondContact O-N 2.78Å; H781-S785 PolarHBondContact O-OG 3.28Å; S785-Q794 PolarHBondContact O-NE2 3.46Å
786	C	79.7	Confident	74.7	Confident	32 Å²	32	59 Å²	59	22%	0.216	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-32.3	-170.6	-54.1	0	0	0	0	113.7	L782 L832 T833	L782-C786 HydrophobicContact CD1-CB 4.12Å; L782-C786 PolarHBondContact O-N 3.42Å; C786-L832 HydrophobicContact CB-CD2 4.44Å; C786-T833 PolarHBondContact SG-O 3.04Å
787	L	77.8	Confident	72.8	Confident	13 Å²	13	59.6 Å²	59.6	7%	0.068	32%	0.321	C	S	.	.	S	Bend	trans	-116.1	15.2	-169.8	-59.8	174.1	0	0	0	113.7	L782 L783 L822 R825 I826 L832	L782-L787 PolarHBondContact O-N 2.8Å; L782-L787 VanDerWaalsContact O-N 3.16Å; L783-L787 HydrophobicContact CD2-CB 4.49Å; L783-L787 HydrophobicContact CD2-CD1 4.33Å; L783-L787 CarbonylContact O-C 3.59Å; L787-L822 HydrophobicContact CD1-CD1 3.39Å; L787-R825 HydrophobicContact CB-CB 4.41Å; L787-R825 HydrophobicContact CD1-CB 4.25Å; L787-R825 VanDerWaalsContact O-CD 3.29Å; L787-R825 WeakPolarHBondContact O-CD 3.48Å; L787-R825 PolarHBondContact O-NH1 2.95Å; L787-I826 HydrophobicContact CD1-CG1 4.18Å; L787-L832 HydrophobicContact CD1-CD2 3.86Å; L787-L832 HydrophobicContact CD2-CD2 4.12Å; L787-L832 HydrophobicContact CG-CD2 4Å
788	S	74.9	Confident	71	Confident	29 Å²	29	65.9 Å²	65.9	20%	0.203	35%	0.35	C	S	.	.			trans	-65.7	144.9	-179.8	-178.5	0	0	0	0	111.9	L783 R784 S790	L783-S788 WeakPolarHBondContact O-CA 3.42Å; L783-S788 PolarHBondContact O-N 2.87Å; L783-S788 VanDerWaalsContact O-N 3.16Å; R784-S788 VanDerWaalsContact O-CB 3.31Å; R784-S788 WeakPolarHBondContact O-CB 3.48Å; S788-S790 PolarHBondContact OG-N 2.86Å; S788-S790 PolarHBondContact OG-O 3.13Å
789	R	66.1	Low	69	Low	185 Å²	185	68.4 Å²	68.4	70%	0.698	37%	0.371	S	S	*	.	S	Bend	trans	-89.3	-17.7	172.7	-70.9	-171	179.4	177.3	3.9	113.2
790	S	64.4	Low	67.1	Low	35 Å²	35	74.4 Å²	74.4	25%	0.245	40%	0.399	C	S	.	.			trans	-131.7	135.5	-176.3	100.1	0	0	0	0	112.3	S788 K792 D793 Q794	S788-S790 PolarHBondContact OG-N 2.86Å; S788-S790 PolarHBondContact OG-O 3.13Å; S790-K792 PolarHBondContact O-N 2.92Å; S790-D793 WeakPolarHBondContact CB-OD2 3.32Å; S790-D793 PolarHBondContact O-N 3.19Å; S790-D793 WeakPolarHBondContact OG-CB 3.39Å; S790-D793 PolarHBondContact OG-N 2.92Å; S790-D793 VanDerWaalsContact OG-N 3.08Å; S790-D793 PolarHBondContact OG-OD2 2.69Å; S790-Q794 PolarHBondContact O-N 3.13Å
791	P	58.9	Low	65	Low	101 Å²	101	79.1 Å²	79.1	66%	0.656	44%	0.439	S	S	*	.	H	α-helix	trans	-69.2	-20.9	176.3	25.8	-32.3	0	0	0	112.6	A795	P791-A795 PolarHBondContact O-N 3.14Å; P791-A795 VanDerWaalsContact O-N 3.07Å
792	K	58.4	Low	63.2	Low	170 Å²	170	76.6 Å²	76.6	74%	0.739	44%	0.444	S	S	*	.	H	α-helix	trans	-69.2	-38	173.1	-75.7	-173.7	176.3	-178.3	0	112.2	S790 Q794 A795 T796	S790-K792 PolarHBondContact O-N 2.92Å; K792-Q794 VanDerWaalsContact C-N 3.35Å; K792-A795 PolarHBondContact O-N 2.8Å; K792-T796 PolarHBondContact O-N 2.9Å; K792-T796 VanDerWaalsContact O-N 3.07Å; K792-T796 PolarHBondContact O-OG1 3.44Å
793	D	56.7	Low	61.8	Low	96 Å²	96	79.1 Å²	79.1	51%	0.513	47%	0.471	S	S	.	.	H	α-helix	trans	-69.7	-34	176.3	-65	-37.9	0	0	0	111.7	S790 S797	S790-D793 WeakPolarHBondContact CB-OD2 3.32Å; S790-D793 PolarHBondContact O-N 3.19Å; S790-D793 WeakPolarHBondContact OG-CB 3.39Å; S790-D793 PolarHBondContact OG-N 2.92Å; S790-D793 VanDerWaalsContact OG-N 3.08Å; S790-D793 PolarHBondContact OG-OD2 2.69Å; D793-S797 PolarHBondContact O-N 2.77Å
794	Q	57.3	Low	60.7	Low	77 Å²	77	83 Å²	83	36%	0.36	50%	0.496	S	S	.	.	H	α-helix	trans	-64	-47.4	171.7	-87.2	171.1	-12.1	0	0	111.9	R784 S785 S790 K792 T796 S797 L798	R784-Q794 WeakPolarHBondContact O-CG 3.34Å; S785-Q794 PolarHBondContact O-NE2 3.46Å; S790-Q794 PolarHBondContact O-N 3.13Å; K792-Q794 VanDerWaalsContact C-N 3.35Å; Q794-T796 PolarHBondContact O-N 2.99Å; Q794-S797 PolarHBondContact O-N 2.79Å; Q794-L798 PolarHBondContact O-N 3.32Å
795	A	53.4	Low	59.9	Low	60 Å²	60	85.2 Å²	85.2	50%	0.496	52%	0.521	S	S	.	.	H	α-helix	trans	-65.2	-37.2	-179.8	0	0	0	0	0	113.1	P791 K792 S797 L798 A799	P791-A795 PolarHBondContact O-N 3.14Å; P791-A795 VanDerWaalsContact O-N 3.07Å; K792-A795 PolarHBondContact O-N 2.8Å; A795-S797 VanDerWaalsContact C-N 3.31Å; A795-S797 PolarHBondContact O-N 3.48Å; A795-L798 PolarHBondContact O-N 2.87Å; A795-A799 PolarHBondContact O-N 2.81Å
796	T	56.1	Low	60.2	Low	88 Å²	88	87.3 Å²	87.3	54%	0.54	53%	0.528	S	S	.	.	H	α-helix	trans	-69.8	-29.7	177.8	-44.5	0	0	0	0	111.8	K792 Q794	K792-T796 PolarHBondContact O-N 2.9Å; K792-T796 VanDerWaalsContact O-N 3.07Å; K792-T796 PolarHBondContact O-OG1 3.44Å; Q794-T796 PolarHBondContact O-N 2.99Å
797	S	50.7	Low	60.4	Low	32 Å²	32	87.4 Å²	87.4	22%	0.224	53%	0.534	C	S	.	.	H	α-helix	trans	-74.1	-32.4	177.1	-166.7	0	0	0	0	113.5	R784 D793 Q794 A795 A799	R784-S797 VanDerWaalsContact CD-OG 3.28Å; R784-S797 WeakPolarHBondContact CD-OG 3.36Å; D793-S797 PolarHBondContact O-N 2.77Å; Q794-S797 PolarHBondContact O-N 2.79Å; A795-S797 VanDerWaalsContact C-N 3.31Å; A795-S797 PolarHBondContact O-N 3.48Å; S797-A799 VanDerWaalsContact C-N 3.35Å
798	L	51.7	Low	60.9	Low	156 Å²	156	89.4 Å²	89.4	82%	0.817	55%	0.545	S	S	*	.	H	α-helix	trans	-75.1	-24.9	176.1	-71.4	164.4	0	0	0	112.5	Q794 A795	Q794-L798 PolarHBondContact O-N 3.32Å; A795-L798 PolarHBondContact O-N 2.87Å
799	A	48	Very low	61.6	Low	82 Å²	82	90 Å²	90	68%	0.678	55%	0.548	S	S	*	.	S	Bend	trans	-81.4	-14.4	-179.8	0	0	0	0	0	114.4	A795 S797 A801	A795-A799 PolarHBondContact O-N 2.81Å; S797-A799 VanDerWaalsContact C-N 3.35Å; A799-A801 PolarHBondContact O-N 2.94Å; A799-A801 VanDerWaalsContact O-N 3.17Å
800	Q	51.7	Low	62.6	Low	126 Å²	126	90.7 Å²	90.7	59%	0.589	56%	0.559	S	S	*	*			trans	-83.9	84.4	174	-71.9	-172	-15.5	0	0	110.3	G802	Q800-G802 PolarHBondContact O-N 3.35Å
801	A	42.7	Very low	63.9	Low	108 Å²	108	92.7 Å²	92.7	89%	0.893	57%	0.567	S	S	*	*			trans	-69.3	-6.5	178	0	0	0	0	0	114.6	A799	A799-A801 PolarHBondContact O-N 2.94Å; A799-A801 VanDerWaalsContact O-N 3.17Å
802	G	47.9	Very low	65.6	Low	60 Å²	60	88.3 Å²	88.3	62%	0.619	54%	0.538	S	S	*	.	S	Bend	trans	-98.2	104.9	166.7	0	0	0	0	0	109	Q800	Q800-G802 PolarHBondContact O-N 3.35Å
803	G	56.7	Low	67.3	Low	58 Å²	58	83.5 Å²	83.5	60%	0.598	52%	0.524	S	S	*	.			trans	-53.6	160.8	174.6	0	0	0	0	0	112.4	V805	G803-V805 PolarHBondContact O-N 3.37Å
804	P	61.6	Low	68.9	Low	90 Å²	90	85 Å²	85	58%	0.584	52%	0.522	S	S	*	.			trans	-56.6	130.7	177.4	24.5	-32.1	0	0	0	109.9	A777 L806	A777-P804 HydrophobicContact CB-CG 4.06Å; P804-L806 PolarHBondContact O-N 3.14Å; P804-L806 VanDerWaalsContact O-N 3.09Å
805	V	65.5	Low	70.6	Confident	146 Å²	146	81.7 Å²	81.7	89%	0.885	51%	0.507	S	S	*	.			trans	-63.1	113.6	173.1	178.8	0	0	0	0	107.7	G803 G807	G803-V805 PolarHBondContact O-N 3.37Å; V805-G807 PolarHBondContact O-N 2.87Å
806	L	83.4	Confident	72.5	Confident	89 Å²	89	80.6 Å²	80.6	47%	0.466	49%	0.491	S	S	.	.			trans	-77.6	116.3	176.4	-63.9	170.6	0	0	0	108.4	L769 E773 A777 P804	L769-L806 HydrophobicContact CD1-CB 4.11Å; L769-L806 HydrophobicContact CD1-CD1 3.94Å; L769-L806 HydrophobicContact CD1-CG 4.48Å; E773-L806 HydrophobicContact CB-CD2 4.45Å; A777-L806 HydrophobicContact CB-CD2 3.85Å; P804-L806 PolarHBondContact O-N 3.14Å; P804-L806 VanDerWaalsContact O-N 3.09Å
807	G	84.6	Confident	74.3	Confident	34 Å²	34	83.4 Å²	83.4	35%	0.351	50%	0.496	S	S	.	.			trans	-164.4	161.3	176.1	0	0	0	0	0	110.3	E773 V805	E773-G807 WeakPolarHBondContact CB-O 3.28Å; V805-G807 PolarHBondContact O-N 2.87Å
808	L	87.9	Confident	76.2	Confident	56 Å²	56	83.9 Å²	83.9	29%	0.293	49%	0.494	S	S	.	.			trans	-56.2	123.2	-176.3	-170.8	76.2	0	0	0	110.5	F656 R659 V660	F656-L808 HydrophobicContact CE2-CD1 4.19Å; F656-L808 HydrophobicContact CE2-CG 4.32Å; R659-L808 HydrophobicContact CB-CD1 4.24Å; V660-L808 HydrophobicContact CG2-CD2 4.49Å
809	P	89	Confident	78.3	Confident	42 Å²	42	76.5 Å²	76.5	27%	0.273	46%	0.456	S	S	.	.			trans	-71.5	158	179.7	29	-33.2	0	0	0	111.4	F656 E772	F656-P809 HydrophobicContact CD2-CG 4.46Å; F656-P809 HydrophobicContact CE2-CG 3.9Å; F656-P809 VanDerWaalsContact CE2-O 3.28Å; F656-P809 WeakPolarHBondContact CE2-O 3.41Å; F656-P809 VanDerWaalsContact CZ-O 3.23Å; F656-P809 WeakPolarHBondContact CZ-O 3.43Å; E772-P809 HydrophobicContact CB-CG 3.94Å
810	Q	89.1	Confident	80.5	Confident	198 Å²	198	74.3 Å²	74.3	93%	0.925	44%	0.437	S	S	*	.	S	Bend	trans	-71.7	-32.9	175.5	-68.7	-175.9	-11.2	0	0	112.4
811	D	91.6	Very high	82.3	Confident	77 Å²	77	71 Å²	71	41%	0.412	42%	0.424	S	S	.	.			trans	-150.5	169.4	176.4	71.7	32	0	0	0	111.8	T813	D811-T813 HydrophobicContact CB-CG2 4.3Å; D811-T813 VanDerWaalsContact CG-OG1 3.29Å; D811-T813 WeakPolarHBondContact OD1-CB 3.18Å; D811-T813 PolarHBondContact OD1-N 2.89Å; D811-T813 PolarHBondContact OD1-OG1 3.38Å; D811-T813 WeakPolarHBondContact OD2-CG2 3.13Å; D811-T813 PolarHBondContact OD2-OG1 3.37Å
812	T	94.3	Very high	84.7	Confident	9 Å²	9	65.9 Å²	65.9	6%	0.055	38%	0.381	C	S	.	.	S	Bend	trans	-88.3	-0.6	178.4	55.8	0	0	0	0	113.2	V652 D653 F656 R814 L815 K816	V652-T812 HydrophobicContact CG1-CG2 4.04Å; D653-T812 PolarHBondContact OD1-OG1 3.03Å; F656-T812 HydrophobicContact CB-CG2 3.54Å; F656-T812 HydrophobicContact CD1-CG2 3.72Å; F656-T812 HydrophobicContact CD2-CG2 4.1Å; F656-T812 HydrophobicContact CE1-CG2 4.46Å; F656-T812 HydrophobicContact CG-CG2 3.49Å; F656-T812 VanDerWaalsContact CG-CG2 3.49Å; T812-R814 PolarHBondContact O-N 3.43Å; T812-L815 PolarHBondContact O-N 2.81Å; T812-K816 VanDerWaalsContact O-CG 3.31Å; T812-K816 WeakPolarHBondContact O-CG 3.43Å; T812-K816 PolarHBondContact O-N 2.77Å; T812-K816 VanDerWaalsContact OG1-CE 3.29Å; T812-K816 WeakPolarHBondContact OG1-CE 3.37Å; T812-K816 PolarHBondContact OG1-NZ 2.77Å
813	T	93.3	Very high	86.8	Confident	70 Å²	70	63.4 Å²	63.4	43%	0.429	35%	0.354	S	S	.	.	H	α-helix	trans	-66.5	-38.8	-166.5	67.5	0	0	0	0	112.4	D811 K817	D811-T813 HydrophobicContact CB-CG2 4.3Å; D811-T813 VanDerWaalsContact CG-OG1 3.29Å; D811-T813 WeakPolarHBondContact OD1-CB 3.18Å; D811-T813 PolarHBondContact OD1-N 2.89Å; D811-T813 PolarHBondContact OD1-OG1 3.38Å; D811-T813 WeakPolarHBondContact OD2-CG2 3.13Å; D811-T813 PolarHBondContact OD2-OG1 3.37Å; T813-K817 VanDerWaalsContact O-CG 3.29Å; T813-K817 WeakPolarHBondContact O-CG 3.42Å; T813-K817 PolarHBondContact O-N 2.92Å; T813-K817 VanDerWaalsContact O-N 3.17Å
814	R	90	Very high	88.4	Confident	127 Å²	127	63.7 Å²	63.7	48%	0.479	34%	0.342	S	S	.	.	H	α-helix	trans	-65.9	-48.7	176.7	177.5	178.1	154.4	168.7	-2.5	111.6	D776 T812 K816 K817 H818	D776-R814 IonicContact OD1-NE 3.46Å; D776-R814 IonicContact OD2-CZ 3.94Å; D776-R814 VanDerWaalsContact OD2-CZ 3.24Å; D776-R814 IonicContact OD2-NE 2.82Å; D776-R814 PolarHBondContact OD2-NE 3.47Å; D776-R814 IonicContact OD2-NH2 3.29Å; D776-R814 PolarHBondContact OD2-NH2 3.33Å; T812-R814 PolarHBondContact O-N 3.43Å; R814-K816 PolarHBondContact O-N 3.3Å; R814-K817 WeakPolarHBondContact O-CB 3.43Å; R814-K817 PolarHBondContact O-N 2.85Å; R814-H818 PolarHBondContact O-N 2.92Å
815	L	92.8	Very high	89.7	Confident	7 Å²	7	61.7 Å²	61.7	4%	0.037	32%	0.323	C	S	.	.	H	α-helix	trans	-58	-48.4	179.2	175.2	61.4	0	0	0	111.1	V652 W771 E772 C775 D776 T812 K817 H818 I819	V652-L815 HydrophobicContact CG1-CD2 4.29Å; W771-L815 HydrophobicContact CE3-CD2 4.32Å; W771-L815 HydrophobicContact CH2-CD2 4.17Å; W771-L815 HydrophobicContact CZ3-CD2 3.62Å; E772-L815 HydrophobicContact CB-CD2 3.97Å; E772-L815 HydrophobicContact CG-CD2 4.01Å; C775-L815 HydrophobicContact CB-CD1 4.22Å; D776-L815 HydrophobicContact CB-CD1 3.89Å; T812-L815 PolarHBondContact O-N 2.81Å; L815-K817 VanDerWaalsContact C-N 3.33Å; L815-K817 PolarHBondContact O-N 2.88Å; L815-H818 PolarHBondContact O-N 3.48Å; L815-H818 VanDerWaalsContact O-N 3.13Å; L815-I819 HydrophobicContact CD1-CD1 3.83Å; L815-I819 HydrophobicContact CD1-CG1 4.11Å; L815-I819 HydrophobicContact CG-CD1 3.97Å; L815-I819 WeakPolarHBondContact O-CG1 3.32Å; L815-I819 PolarHBondContact O-N 2.93Å
816	K	94.8	Very high	90.8	Very high	38 Å²	38	54.8 Å²	54.8	17%	0.165	28%	0.281	C	S	.	.	H	α-helix	trans	-59.5	-42.5	177.9	-67.5	178.1	-176.6	169.2	0	112.5	F649 D653 T812 R814 H818 I819 A820	F649-K816 HydrophobicContact CB-CD 3.97Å; F649-K816 HydrophobicContact CB-CG 4.34Å; F649-K816 HydrophobicContact CD1-CB 4.15Å; F649-K816 HydrophobicContact CD1-CD 4.2Å; F649-K816 HydrophobicContact CD1-CG 3.61Å; F649-K816 HydrophobicContact CD2-CB 4.15Å; F649-K816 HydrophobicContact CD2-CD 4.08Å; F649-K816 HydrophobicContact CD2-CG 4.11Å; F649-K816 HydrophobicContact CE1-CB 3.91Å; F649-K816 HydrophobicContact CE1-CG 3.85Å; F649-K816 HydrophobicContact CE2-CB 3.92Å; F649-K816 HydrophobicContact CE2-CG 4.33Å; F649-K816 HydrophobicContact CG-CB 4.27Å; F649-K816 HydrophobicContact CG-CD 3.83Å; F649-K816 HydrophobicContact CG-CG 3.75Å; F649-K816 HydrophobicContact CZ-CB 3.8Å; F649-K816 HydrophobicContact CZ-CG 4.21Å; F649-K816 VanDerWaalsContact CZ-O 3.23Å; F649-K816 WeakPolarHBondContact CZ-O 3.2Å; D653-K816 VanDerWaalsContact OD1-CE 3.29Å; D653-K816 WeakPolarHBondContact OD1-CE 3.34Å; D653-K816 IonicContact OD1-NZ 2.83Å; D653-K816 PolarHBondContact OD1-NZ 3.33Å; D653-K816 IonicContact OD2-NZ 3.67Å; D653-K816 PolarHBondContact OD2-NZ 2.87Å; T812-K816 VanDerWaalsContact O-CG 3.31Å; T812-K816 WeakPolarHBondContact O-CG 3.43Å; T812-K816 PolarHBondContact O-N 2.77Å; T812-K816 VanDerWaalsContact OG1-CE 3.29Å; T812-K816 WeakPolarHBondContact OG1-CE 3.37Å; T812-K816 PolarHBondContact OG1-NZ 2.77Å; R814-K816 PolarHBondContact O-N 3.3Å; K816-H818 VanDerWaalsContact C-N 3.34Å; K816-H818 PolarHBondContact O-N 3.05Å; K816-I819 PolarHBondContact O-N 2.8Å; K816-A820 VanDerWaalsContact O-CB 3.32Å; K816-A820 WeakPolarHBondContact O-CB 3.4Å; K816-A820 PolarHBondContact O-N 2.89Å
817	K	92.6	Very high	90.9	Very high	147 Å²	147	51.7 Å²	51.7	64%	0.639	27%	0.27	S	S	*	.	H	α-helix	trans	-61.5	-42.7	175.1	-75.7	172.8	-177.8	173.9	0	111.6	T813 R814 L815 L821	T813-K817 VanDerWaalsContact O-CG 3.29Å; T813-K817 WeakPolarHBondContact O-CG 3.42Å; T813-K817 PolarHBondContact O-N 2.92Å; T813-K817 VanDerWaalsContact O-N 3.17Å; R814-K817 WeakPolarHBondContact O-CB 3.43Å; R814-K817 PolarHBondContact O-N 2.85Å; L815-K817 VanDerWaalsContact C-N 3.33Å; L815-K817 PolarHBondContact O-N 2.88Å; K817-L821 VanDerWaalsContact O-CB 3.24Å; K817-L821 WeakPolarHBondContact O-CB 3.48Å; K817-L821 PolarHBondContact O-N 2.95Å
818	H	91.9	Very high	91.1	Very high	42 Å²	42	56.4 Å²	56.4	19%	0.194	28%	0.281	C	S	.	.	H	α-helix	trans	-66.7	-42.9	178.4	-72.3	175.6	0	0	0	112.4	D776 V779 S780 L783 R814 L815 K816 L821 L822	D776-H818 IonicContact OD1-CE1 2.59Å; D776-H818 IonicContact OD1-CG 3.82Å; D776-H818 IonicContact OD1-ND1 2.71Å; D776-H818 PolarHBondContact OD1-ND1 2.78Å; D776-H818 IonicContact OD2-ND1 2.61Å; V779-H818 HydrophobicContact CG1-CB 3.88Å; S780-H818 PolarHBondContact OG-CE1 3.13Å; S780-H818 PolarHBondContact OG-ND1 2.81Å; L783-H818 HydrophobicContact CD1-CB 4.09Å; R814-H818 PolarHBondContact O-N 2.92Å; L815-H818 PolarHBondContact O-N 3.48Å; L815-H818 VanDerWaalsContact O-N 3.13Å; K816-H818 VanDerWaalsContact C-N 3.34Å; K816-H818 PolarHBondContact O-N 3.05Å; H818-L821 PolarHBondContact O-N 3.03Å; H818-L822 WeakPolarHBondContact O-CB 3.46Å; H818-L822 PolarHBondContact O-N 3.44Å
819	I	94.3	Very high	90.8	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-64.4	-43.7	175.7	-65.6	175.5	0	0	0	111.1	L645 Y648 F649 L737 L759 W771 V779 L815 K816 L821 L822 C823	L645-I819 HydrophobicContact CD2-CG2 4.4Å; Y648-I819 HydrophobicContact CE1-CD1 3.98Å; Y648-I819 HydrophobicContact CE1-CG2 4.22Å; F649-I819 HydrophobicContact CE1-CB 4.13Å; F649-I819 HydrophobicContact CE1-CG2 4.08Å; F649-I819 HydrophobicContact CZ-CB 4.36Å; F649-I819 HydrophobicContact CZ-CG2 4.38Å; L737-I819 HydrophobicContact CD2-CG2 4.3Å; L759-I819 HydrophobicContact CD2-CG1 4.37Å; W771-I819 HydrophobicContact CH2-CD1 4.35Å; V779-I819 HydrophobicContact CG2-CG1 4.44Å; L815-I819 HydrophobicContact CD1-CD1 3.83Å; L815-I819 HydrophobicContact CD1-CG1 4.11Å; L815-I819 HydrophobicContact CG-CD1 3.97Å; L815-I819 WeakPolarHBondContact O-CG1 3.32Å; L815-I819 PolarHBondContact O-N 2.93Å; K816-I819 PolarHBondContact O-N 2.8Å; I819-L821 VanDerWaalsContact C-N 3.32Å; I819-L821 PolarHBondContact O-N 3.31Å; I819-L822 WeakPolarHBondContact O-CB 3.31Å; I819-L822 PolarHBondContact O-N 3.21Å; I819-C823 PolarHBondContact O-N 3.31Å; I819-C823 PolarHBondContact O-SG 3.29Å
820	A	94	Very high	90.5	Very high	35 Å²	35	54.8 Å²	54.8	29%	0.289	29%	0.285	S	S	.	.	H	α-helix	trans	-61.5	-41.6	175.9	0	0	0	0	0	111.6	L645 F649 K816 C823 D824	L645-A820 HydrophobicContact CD1-CB 4.24Å; F649-A820 HydrophobicContact CZ-CB 4.34Å; K816-A820 VanDerWaalsContact O-CB 3.32Å; K816-A820 WeakPolarHBondContact O-CB 3.4Å; K816-A820 PolarHBondContact O-N 2.89Å; A820-C823 PolarHBondContact O-N 2.78Å; A820-D824 PolarHBondContact O-N 2.88Å
821	L	91.2	Very high	90.1	Very high	58 Å²	58	51.5 Å²	51.5	30%	0.304	27%	0.265	S	S	.	.	H	α-helix	trans	-66	-38.3	176.1	-176.5	63.1	0	0	0	112.3	L783 K817 H818 I819 D824 R825	L783-L821 HydrophobicContact CD1-CD2 4.21Å; L783-L821 HydrophobicContact CD2-CD2 4.41Å; L783-L821 HydrophobicContact CD2-CG 4.18Å; K817-L821 VanDerWaalsContact O-CB 3.24Å; K817-L821 WeakPolarHBondContact O-CB 3.48Å; K817-L821 PolarHBondContact O-N 2.95Å; H818-L821 PolarHBondContact O-N 3.03Å; I819-L821 VanDerWaalsContact C-N 3.32Å; I819-L821 PolarHBondContact O-N 3.31Å; L821-D824 PolarHBondContact O-N 2.85Å; L821-R825 HydrophobicContact CD1-CG 4.32Å; L821-R825 WeakPolarHBondContact O-CB 3.48Å; L821-R825 WeakPolarHBondContact O-CG 3.4Å; L821-R825 PolarHBondContact O-N 2.89Å
822	L	91.6	Very high	89.7	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.3	-49.8	173.5	175.8	65.4	0	0	0	110.4	L755 L759 V779 L782 L783 L787 H818 I819 D824 R825 I826	L755-L822 HydrophobicContact CD2-CD2 4.26Å; L759-L822 HydrophobicContact CD2-CD2 4.41Å; V779-L822 HydrophobicContact CG1-CB 4.17Å; V779-L822 HydrophobicContact CG1-CD2 4.15Å; V779-L822 HydrophobicContact CG2-CD2 4.22Å; L782-L822 HydrophobicContact CD2-CD1 3.91Å; L783-L822 HydrophobicContact CD2-CB 4.23Å; L783-L822 HydrophobicContact CD2-CD1 4.37Å; L787-L822 HydrophobicContact CD1-CD1 3.39Å; H818-L822 WeakPolarHBondContact O-CB 3.46Å; H818-L822 PolarHBondContact O-N 3.44Å; I819-L822 WeakPolarHBondContact O-CB 3.31Å; I819-L822 PolarHBondContact O-N 3.21Å; L822-D824 PolarHBondContact O-N 2.78Å; L822-R825 PolarHBondContact O-N 3.09Å; L822-I826 HydrophobicContact CD1-CD1 3.74Å; L822-I826 HydrophobicContact CD1-CG1 4.32Å; L822-I826 HydrophobicContact CG-CD1 3.9Å; L822-I826 WeakPolarHBondContact O-CB 3.33Å; L822-I826 WeakPolarHBondContact O-CG1 3.47Å; L822-I826 PolarHBondContact O-N 3.04Å
823	C	91.8	Very high	89	Confident	7 Å²	7	51.4 Å²	51.4	5%	0.047	27%	0.267	C	S	.	.	H	α-helix	trans	-60.9	-43.1	177.8	-62.9	0	0	0	0	112	L741 I819 A820 G827	L741-C823 HydrophobicContact CD2-CB 4.34Å; I819-C823 PolarHBondContact O-N 3.31Å; I819-C823 PolarHBondContact O-SG 3.29Å; A820-C823 PolarHBondContact O-N 2.78Å; C823-G827 PolarHBondContact O-N 2.84Å
824	D	90.6	Very high	87.9	Confident	65 Å²	65	54.4 Å²	54.4	35%	0.348	28%	0.279	S	S	.	.	H	α-helix	trans	-63.6	-43.1	177.1	176.6	66.5	0	0	0	112.5	A820 L821 L822 G827 K828	A820-D824 PolarHBondContact O-N 2.88Å; L821-D824 PolarHBondContact O-N 2.85Å; L822-D824 PolarHBondContact O-N 2.78Å; D824-G827 PolarHBondContact O-N 3.37Å; D824-K828 WeakPolarHBondContact O-CG 3.48Å; D824-K828 PolarHBondContact O-N 3.25Å; D824-K828 WeakPolarHBondContact OD1-CE 3.24Å; D824-K828 IonicContact OD1-NZ 3.18Å; D824-K828 PolarHBondContact OD1-NZ 2.93Å; D824-K828 IonicContact OD2-NZ 2.67Å; D824-K828 PolarHBondContact OD2-NZ 2.94Å
825	R	89.1	Confident	86.2	Confident	48 Å²	48	51.9 Å²	51.9	18%	0.181	29%	0.286	C	S	.	.	H	α-helix	trans	-69.6	-39	179.7	-72.2	-173.8	-173.6	179.5	4.6	112.4	L783 L787 L821 L822 G827 K828 G830	L783-R825 PolarHBondContact O-NH1 3.07Å; L787-R825 HydrophobicContact CB-CB 4.41Å; L787-R825 HydrophobicContact CD1-CB 4.25Å; L787-R825 VanDerWaalsContact O-CD 3.29Å; L787-R825 WeakPolarHBondContact O-CD 3.48Å; L787-R825 PolarHBondContact O-NH1 2.95Å; L821-R825 HydrophobicContact CD1-CG 4.32Å; L821-R825 WeakPolarHBondContact O-CB 3.48Å; L821-R825 WeakPolarHBondContact O-CG 3.4Å; L821-R825 PolarHBondContact O-N 2.89Å; L822-R825 PolarHBondContact O-N 3.09Å; R825-G827 VanDerWaalsContact C-N 3.31Å; R825-K828 PolarHBondContact O-N 3.08Å; R825-G830 PolarHBondContact O-N 3.38Å
826	I	89.1	Confident	83.9	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-63.2	-42.3	171.4	-71.4	170.8	0	0	0	109.9	L741 Q745 L755 L787 L822 K828 G829 L832	L741-I826 HydrophobicContact CD1-CD1 4.47Å; Q745-I826 HydrophobicContact CB-CG2 4.27Å; Q745-I826 HydrophobicContact CG-CG2 3.73Å; L755-I826 HydrophobicContact CD1-CD1 4.31Å; L755-I826 HydrophobicContact CD2-CD1 3.9Å; L787-I826 HydrophobicContact CD1-CG1 4.18Å; L822-I826 HydrophobicContact CD1-CD1 3.74Å; L822-I826 HydrophobicContact CD1-CG1 4.32Å; L822-I826 HydrophobicContact CG-CD1 3.9Å; L822-I826 WeakPolarHBondContact O-CB 3.33Å; L822-I826 WeakPolarHBondContact O-CG1 3.47Å; L822-I826 PolarHBondContact O-N 3.04Å; I826-K828 PolarHBondContact O-N 3.2Å; I826-G829 PolarHBondContact O-N 2.84Å; I826-L832 HydrophobicContact CD1-CD1 4.36Å
827	G	86.3	Confident	81	Confident	24 Å²	24	62 Å²	62	25%	0.247	34%	0.344	C	S	.	.	H	α-helix	trans	-58.4	-28	174.4	0	0	0	0	0	115.3	C823 D824 R825 G829	C823-G827 PolarHBondContact O-N 2.84Å; D824-G827 PolarHBondContact O-N 3.37Å; R825-G827 VanDerWaalsContact C-N 3.31Å; G827-G829 VanDerWaalsContact C-N 3.3Å
828	K	87.6	Confident	78.3	Confident	133 Å²	133	58.7 Å²	58.7	58%	0.578	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	12.6	176.6	-71.5	169.1	-177.6	159.9	0	113.5	D824 R825 I826	D824-K828 WeakPolarHBondContact O-CG 3.48Å; D824-K828 PolarHBondContact O-N 3.25Å; D824-K828 WeakPolarHBondContact OD1-CE 3.24Å; D824-K828 IonicContact OD1-NZ 3.18Å; D824-K828 PolarHBondContact OD1-NZ 2.93Å; D824-K828 IonicContact OD2-NZ 2.67Å; D824-K828 PolarHBondContact OD2-NZ 2.94Å; R825-K828 PolarHBondContact O-N 3.08Å; I826-K828 PolarHBondContact O-N 3.2Å
829	G	82.1	Confident	75.4	Confident	45 Å²	45	64.4 Å²	64.4	46%	0.464	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	13.9	176.4	0	0	0	0	0	115.2	I826 G827	I826-G829 PolarHBondContact O-N 2.84Å; G827-G829 VanDerWaalsContact C-N 3.3Å
830	G	82.6	Confident	72.4	Confident	18 Å²	18	69.2 Å²	69.2	19%	0.186	41%	0.405	C	S	.	.			trans	-61.1	136.2	173.8	0	0	0	0	0	112.4	R825	R825-G830 PolarHBondContact O-N 3.38Å
831	R	81	Confident	69.3	Low	130 Å²	130	76.1 Å²	76.1	49%	0.491	43%	0.432	S	S	.	.			trans	-109.7	146.7	178.9	-66.2	-69.3	-179	-142.7	2.4	110.3
832	L	83.4	Confident	66.3	Low	3 Å²	3	79.8 Å²	79.8	2%	0.016	45%	0.45	C	S	.	.			trans	-105.2	124.9	-178.8	-53.1	176.4	0	0	0	109.2	Q751 I754 L755 L782 C786 L787 I826	Q751-L832 HydrophobicContact CG-CB 4.2Å; Q751-L832 WeakPolarHBondContact CG-O 3.09Å; Q751-L832 PolarHBondContact NE2-O 2.87Å; I754-L832 HydrophobicContact CD1-CB 4.3Å; I754-L832 HydrophobicContact CG2-CB 4.3Å; I754-L832 HydrophobicContact CG2-CD1 4.48Å; L755-L832 HydrophobicContact CD1-CD1 3.96Å; L755-L832 HydrophobicContact CD2-CD1 3.5Å; L755-L832 HydrophobicContact CG-CD1 3.37Å; L782-L832 HydrophobicContact CD1-CD2 4.04Å; L782-L832 HydrophobicContact CD2-CD1 4.33Å; L782-L832 HydrophobicContact CD2-CD2 3.76Å; L782-L832 HydrophobicContact CG-CD2 3.9Å; C786-L832 HydrophobicContact CB-CD2 4.44Å; L787-L832 HydrophobicContact CD1-CD2 3.86Å; L787-L832 HydrophobicContact CD2-CD2 4.12Å; L787-L832 HydrophobicContact CG-CD2 4Å; I826-L832 HydrophobicContact CD1-CD1 4.36Å
833	T	79.3	Confident	63.4	Low	81 Å²	81	85 Å²	85	50%	0.497	48%	0.484	S	S	.	.			trans	-145.7	130	179.4	48.5	0	0	0	0	109.7	C786	C786-T833 PolarHBondContact SG-O 3.04Å
834	L	70	Confident	60.5	Low	132 Å²	132	88.9 Å²	88.9	69%	0.691	52%	0.517	S	S	*	.			trans	-90.1	-9	174.9	-67.3	172.6	0	0	0	112.8	I754 S836	I754-L834 HydrophobicContact CD1-CD1 4.19Å; I754-L834 HydrophobicContact CD1-CG 3.85Å; I754-L834 HydrophobicContact CG1-CD1 3.82Å; I754-L834 HydrophobicContact CG1-CG 3.94Å; L834-S836 PolarHBondContact O-N 3.41Å; L834-S836 VanDerWaalsContact O-N 3.07Å
835	A	53.6	Low	57.9	Low	74 Å²	74	94.8 Å²	94.8	61%	0.612	54%	0.542	S	S	*	.			trans	-64.1	112.8	174.1	0	0	0	0	0	108.4	E837	A835-E837 VanDerWaalsContact C-N 3.34Å; A835-E837 PolarHBondContact O-N 3.42Å
836	S	44.3	Very low	55.5	Low	98 Å²	98	99.3 Å²	99.3	69%	0.685	57%	0.568	S	S	*	*			trans	-57.1	103.4	159.6	-179.5	0	0	0	0	107	L834 A838	L834-S836 PolarHBondContact O-N 3.41Å; L834-S836 VanDerWaalsContact O-N 3.07Å; S836-A838 PolarHBondContact O-N 3.14Å; S836-A838 WeakPolarHBondContact OG-CB 3.08Å; S836-A838 PolarHBondContact OG-N 2.79Å
837	E	35.4	Very low	52.7	Low	161 Å²	161	107.3 Å²	107.3	75%	0.752	61%	0.606	S	S	*	*			trans	-68.3	48.2	157	-72	-172.8	167.7	0	0	109.5	A835 N839 V840	A835-E837 VanDerWaalsContact C-N 3.34Å; A835-E837 PolarHBondContact O-N 3.42Å; E837-N839 PolarHBondContact O-N 3.37Å; E837-V840 PolarHBondContact O-N 3.45Å
838	A	34.8	Very low	50	Low	76 Å²	76	113.7 Å²	113.7	63%	0.628	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	40.7	162.1	0	0	0	0	0	110.8	S836	S836-A838 PolarHBondContact O-N 3.14Å; S836-A838 WeakPolarHBondContact OG-CB 3.08Å; S836-A838 PolarHBondContact OG-N 2.79Å
839	N	32	Very low	47.4	Very low	162 Å²	162	115.6 Å²	115.6	87%	0.866	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.9	15.2	161.9	-101	-7.6	0	0	0	111.9	E837 Q841	E837-N839 PolarHBondContact O-N 3.37Å; N839-Q841 PolarHBondContact O-N 3.45Å
840	V	30.2	Very low	44.9	Very low	102 Å²	102	118.1 Å²	118.1	62%	0.618	67%	0.666	S	S	*	*	S	Bend	trans	-76.1	111.5	155.5	-175.8	0	0	0	0	106.8	E837 I842	E837-V840 PolarHBondContact O-N 3.45Å; V840-I842 PolarHBondContact O-N 2.79Å
841	Q	29.3	Very low	42.4	Very low	181 Å²	181	121.9 Å²	121.9	85%	0.846	70%	0.695	S	S	*	*			trans	-47.8	110.9	172.8	-73.5	175.8	-17.8	0	0	109.4	N839 P843	N839-Q841 PolarHBondContact O-N 3.45Å; Q841-P843 WeakPolarHBondContact O-CD 3.31Å
842	I	28.6	Very low	40.1	Very low	135 Å²	135	121.7 Å²	121.7	69%	0.692	71%	0.711	S	S	*	*			trans	-59.9	124.5	168.2	-58.6	171.4	0	0	0	106	V840 A844	V840-I842 PolarHBondContact O-N 2.79Å; I842-A844 PolarHBondContact O-N 2.93Å
843	P	30.5	Very low	37.4	Very low	109 Å²	109	125.1 Å²	125.1	71%	0.708	75%	0.747	S	S	*	*			trans	-52.9	137.1	173.1	-24.1	32.8	0	0	0	109.6	Q841 Q845	Q841-P843 WeakPolarHBondContact O-CD 3.31Å; P843-Q845 PolarHBondContact O-N 3.21Å
844	A	30.8	Very low	35	Very low	89 Å²	89	124.6 Å²	124.6	74%	0.736	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	21.7	-166.5	0	0	0	0	0	117.4	I842	I842-A844 PolarHBondContact O-N 2.93Å
845	Q	37	Very low	33.1	Very low	189 Å²	189	125.2 Å²	125.2	88%	0.883	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.5	9.1	-176.3	-79.5	-174.9	-29.9	0	0	115.7	P843	P843-Q845 PolarHBondContact O-N 3.21Å
846	I	37.4	Very low	31.9	Very low	142 Å²	142	129.9 Å²	129.9	73%	0.728	78%	0.776	S	S	*	*	S	Bend	trans	-124.2	25.9	173.4	-46.5	179.2	0	0	0	111.9	N848	I846-N848 VanDerWaalsContact C-N 3.3Å; I846-N848 PolarHBondContact O-N 3.45Å
847	Q	30.4	Very low	31.1	Very low	170 Å²	170	131 Å²	131	79%	0.794	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	18.1	-178.2	-134.1	168.1	7	0	0	114.5
848	N	30.2	Very low	30.9	Very low	158 Å²	158	131.3 Å²	131.3	85%	0.845	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117	17.3	-171.3	-88.9	-1.1	0	0	0	116.7	I846	I846-N848 VanDerWaalsContact C-N 3.3Å; I846-N848 PolarHBondContact O-N 3.45Å
849	L	33.6	Very low	30.6	Very low	173 Å²	173	131.5 Å²	131.5	91%	0.906	79%	0.787	S	S	*	*	S	Bend	trans	-133.5	15.3	179.6	-79.7	170.5	0	0	0	116.9
850	A	29.6	Very low	30.4	Very low	97 Å²	97	133.2 Å²	133.2	80%	0.802	79%	0.79	S	S	*	*			trans	-142.2	86.9	170.5	0	0	0	0	0	111.1
851	A	28.4	Very low	30.4	Very low	97 Å²	97	134.4 Å²	134.4	80%	0.802	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-82.1	129	158.3	0	0	0	0	0	108.1	G853	A851-G853 PolarHBondContact O-N 3.1Å
852	P	32.5	Very low	30.3	Very low	126 Å²	126	131.2 Å²	131.2	82%	0.818	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-66.3	124.5	164.8	-2.9	16.9	0	0	0	108	G854	P852-G854 PolarHBondContact O-N 3.19Å; P852-G854 VanDerWaalsContact O-N 3.17Å
853	G	28.7	Very low	30.2	Very low	75 Å²	75	128.4 Å²	128.4	77%	0.773	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-53.7	120.5	173.3	0	0	0	0	0	110.2	A851	A851-G853 PolarHBondContact O-N 3.1Å
854	G	27.2	Very low	30	Very low	71 Å²	71	131.3 Å²	131.3	73%	0.732	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-63.6	138.8	170.9	0	0	0	0	0	110.2	P852 E856	P852-G854 PolarHBondContact O-N 3.19Å; P852-G854 VanDerWaalsContact O-N 3.17Å; G854-E856 PolarHBondContact O-N 3.41Å
855	V	30.5	Very low	30	Very low	144 Å²	144	130.6 Å²	130.6	87%	0.873	81%	0.81	S	S	*	*			trans	-66.5	112.9	165.4	-178.6	0	0	0	0	106.6
856	E	29.2	Very low	29.5	Very low	173 Å²	173	131.1 Å²	131.1	81%	0.808	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-67.8	136.2	169.2	-76.6	-170.6	160	0	0	109.6	G854	G854-E856 PolarHBondContact O-N 3.41Å
857	P	27.6	Very low	29.1	Very low	120 Å²	120	133.6 Å²	133.6	78%	0.779	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-70.5	132	172	28.8	-30.3	0	0	0	109.5	A859	P857-A859 PolarHBondContact O-N 2.98Å; P857-A859 VanDerWaalsContact O-N 3.17Å
858	I	30.2	Very low	28.8	Very low	169 Å²	169	134 Å²	134	87%	0.867	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-60.9	116	172.9	-63.3	167.7	0	0	0	107.9
859	A	27.8	Very low	28.6	Very low	80 Å²	80	135.1 Å²	135.1	66%	0.661	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-72.9	126.4	171	0	0	0	0	0	109.7	P857 V861	P857-A859 PolarHBondContact O-N 2.98Å; P857-A859 VanDerWaalsContact O-N 3.17Å; A859-V861 PolarHBondContact O-N 3.33Å
860	E	28.3	Very low	28.3	Very low	197 Å²	197	133 Å²	133	92%	0.921	82%	0.824	S	S	*	*			trans	-62	115.4	164.4	-71	-178.1	158.3	0	0	108.7
861	V	29.8	Very low	28.1	Very low	128 Å²	128	133.3 Å²	133.3	78%	0.776	83%	0.827	S	S	*	*			trans	-111.4	117.7	168.1	-178	0	0	0	0	107.6	A859 G863	A859-V861 PolarHBondContact O-N 3.33Å; V861-G863 PolarHBondContact O-N 2.76Å
862	S	28	Very low	28	Very low	114 Å²	114	137.6 Å²	137.6	80%	0.797	83%	0.831	S	S	*	*			trans	-48.3	122.8	168.5	44.7	0	0	0	0	111.1	D864	S862-D864 PolarHBondContact O-N 2.67Å
863	G	26.1	Very low	27.6	Very low	75 Å²	75	140.8 Å²	140.8	77%	0.773	83%	0.834	S	S	*	*			trans	-75.1	120.9	174.7	0	0	0	0	0	111.7	V861	V861-G863 PolarHBondContact O-N 2.76Å
864	D	26.8	Very low	27.5	Very low	170 Å²	170	145.7 Å²	145.7	91%	0.909	84%	0.839	S	S	*	*			trans	-121.8	137.6	147.4	-93.9	-31.3	0	0	0	107.4	S862	S862-D864 PolarHBondContact O-N 2.67Å
865	G	30.6	Very low	27.4	Very low	74 Å²	74	147.9 Å²	147.9	76%	0.763	84%	0.839	S	S	*	*			trans	-76.5	157.3	-160.4	0	0	0	0	0	115.6
866	E	27.7	Very low	27.3	Very low	200 Å²	200	150.5 Å²	150.5	94%	0.935	84%	0.838	S	S	*	*			trans	-164.2	152.9	142.8	-108.1	171.8	-164.1	0	0	109.6
867	E	27.3	Very low	27	Very low	194 Å²	194	151.1 Å²	151.1	91%	0.907	84%	0.839	S	S	*	*			trans	-69.3	144.8	-157.3	-63.4	167.6	141.7	0	0	115.3
868	L	25.9	Very low	27	Very low	178 Å²	178	153 Å²	153	93%	0.932	84%	0.841	S	S	*	*			trans	-96.4	111.6	172.2	-90.5	149	0	0	0	110.4
869	E	25.3	Very low	26.8	Very low	183 Å²	183	154.5 Å²	154.5	86%	0.855	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-86.6	146.9	158.1	-78	-153.8	155	0	0	111.2
870	P	28	Very low	26.7	Very low	127 Å²	127	160.2 Å²	160.2	83%	0.825	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-81.5	145.3	-173.7	31.3	-32.7	0	0	0	114.2
871	A	24.7	Very low	26.6	Very low	104 Å²	104	160.6 Å²	160.6	86%	0.86	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-63.5	133	-174.3	0	0	0	0	0	114.9
872	Q	25.1	Very low	26.6	Very low	188 Å²	188	160.5 Å²	160.5	88%	0.879	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-82	133.9	164	-77.5	179.4	-15	0	0	111.4	M874	Q872-M874 PolarHBondContact O-N 3.21Å
873	E	26	Very low	26.5	Very low	192 Å²	192	161.1 Å²	161.1	90%	0.897	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-58.3	122	173.8	-66.7	177.8	144.1	0	0	112.4
874	M	25	Very low	26.7	Very low	179 Å²	179	167 Å²	167	88%	0.882	86%	0.86	S	S	*	*			trans	-95.8	97.1	173.8	-118.5	-170.9	-84.1	0	0	111.1	Q872 K876	Q872-M874 PolarHBondContact O-N 3.21Å; M874-K876 PolarHBondContact O-N 3.15Å
875	T	26.6	Very low	26.7	Very low	117 Å²	117	168.2 Å²	168.2	72%	0.718	86%	0.857	S	S	*	*			trans	-73.8	112.2	164.9	24.3	0	0	0	0	110.1	F877	T875-F877 PolarHBondContact O-N 3.48Å
876	K	26.5	Very low	26.7	Very low	198 Å²	198	170.7 Å²	170.7	86%	0.861	86%	0.857	S	S	*	*			trans	-82.4	100.2	172.9	-78.6	-178.6	178.6	174	0	111	M874	M874-K876 PolarHBondContact O-N 3.15Å
877	F	24.6	Very low	26.7	Very low	187 Å²	187	170.7 Å²	170.7	82%	0.82	85%	0.854	S	S	*	*			trans	-78	120.2	162.9	-90.5	-91.7	0	0	0	110.9	T875 K879	T875-F877 PolarHBondContact O-N 3.48Å; F877-K879 PolarHBondContact O-N 3.4Å
878	I	27.7	Very low	26.8	Very low	159 Å²	159	171.9 Å²	171.9	82%	0.815	86%	0.856	S	S	*	*			trans	-78.9	110.2	169.3	-67.6	174	0	0	0	109
879	K	24.4	Very low	27	Very low	200 Å²	200	167.1 Å²	167.1	87%	0.87	85%	0.85	S	S	*	*			trans	-76.7	115.3	168.2	-79.5	177.4	175	172.6	0	110.1	F877	F877-K879 PolarHBondContact O-N 3.4Å
880	K	26.2	Very low	27.6	Very low	200 Å²	200	169.1 Å²	169.1	87%	0.87	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-92.3	124.1	159.4	-90	-177.4	175.4	176.2	0	109.8
881	K	27	Very low	27.9	Very low	205 Å²	205	169.7 Å²	169.7	89%	0.891	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-71.4	147.5	170.1	-81.2	-177.9	175.3	177.5	0	110.8
882	P	29.5	Very low	28.5	Very low	127 Å²	127	177.6 Å²	177.6	83%	0.825	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-95.5	145.2	174.4	35.9	-29.2	0	0	0	111.8
883	S	25.9	Very low	28.6	Very low	126 Å²	126	177.1 Å²	177.1	88%	0.881	87%	0.868	S	S	*	*			trans	-133.4	127.1	159.7	60.5	0	0	0	0	110.7
884	K	29	Very low	28.8	Very low	198 Å²	198	176.3 Å²	176.3	86%	0.861	87%	0.866	S	S	*	*			trans	-86	148.9	-178.9	-74.3	174.4	170.7	175.4	0	111.1
885	K	28.6	Very low	29	Very low	197 Å²	197	176.1 Å²	176.1	86%	0.857	87%	0.866	S	S	*	*				170.7	115.7	111	-93.6	-177.5	179	179.1	0	110
886	V	29.6	Very low	29.1	Very low	125 Å²	125	179.6 Å²	179.6	76%	0.758	87%	0.874	S	S	*	*				101.9	119.8	74.5	162.6	0	0	0	0	111.6
887	K	27	Very low	29.3	Very low	201 Å²	201	178.4 Å²	178.4	87%	0.874	88%	0.875	S	S	*	*				-172	108.7	127.7	-109.5	-179.9	-179.9	178.5	0	111
888	K	30.4	Very low	29.6	Very low	218 Å²	218	177.9 Å²	177.9	95%	0.948	88%	0.879	S	S	*	*			trans	-154	135.8	141.8	-111.8	-179.4	-178.1	-177.3	0	108.8
889	G	30.4	Very low	29.8	Very low	79 Å²	79	179.2 Å²	179.2	81%	0.814	88%	0.883	S	S	*	*			trans	-88.4	153.2	-162.5	0	0	0	0	0	115.5
890	R	36.8	Very low	30.2	Very low	224 Å²	224	177.6 Å²	177.6	85%	0.845	88%	0.884	S	S	*	*			trans	22.3	122.2	143.8	-89.7	-177.2	163	164.9	-5.5	121.4
891	N	35.8	Very low	30.5	Very low	139 Å²	139	175.8 Å²	175.8	74%	0.743	89%	0.886	S	S	*	*				66.5	107.6	123.8	-61.7	9.8	0	0	0	119.7
892	M	36	Very low	30.8	Very low	270 Å²	270	173.1 Å²	173.1	100%	1.33	89%	0.885	S	S	*	*				-144.6	0	95.9	-97.5	-172.8	-174.5	0	0	109.3

Retrieved 892 of 892 residues in 669.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).