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Epithelial splicing regulatory protein 1

mRNA splicing factor that regulates the formation of epithelial cell-specific isoforms. Specifically regulates the expression of FGFR2-IIIb, an epithelial cell-specific isoform of FGFR2. Also regulates the splicing of CD44, CTNND1, ENAH, 3 transcripts that undergo changes in splicing during the epithelial-to-mesenchymal transition (EMT). Acts by directly binding specific sequences in mRNAs. Binds the GU-rich sequence motifs in the ISE/ISS-3, a cis-element regulatory region present in the mRNA of FGFR2. Regulates splicing and expression of genes involved in inner ear development, auditory hair cell differentiation, and cell fate specification in the cochlear epithelium.

AlphaFold DB , UniProt , Accession G7MZS5, Species MACMU (Macaca mulatta, Rhesus macaque), Gene ESRP1, Length 681 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.8	Very low	82.1	Confident	240 Å²	240	49 Å²	49	100%	1.182	28%	0.277	S	S	*	.				0	124.5	0	-64.3	168.5	74.7	0	0	107.2
2	T	53.7	Low	83.3	Confident	61 Å²	61	46 Å²	46	37%	0.374	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-73.3	146.6	163.5	33.9	0	0	0	0	108.9
3	A	69.1	Low	84.2	Confident	78 Å²	78	42.6 Å²	42.6	65%	0.645	24%	0.24	S	C	*	.	P	Polyproline II helix	trans	-68.9	156.9	166.8	0	0	0	0	0	109.4
4	S	81.6	Confident	84.8	Confident	26 Å²	26	39.9 Å²	39.9	18%	0.182	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-66.7	146.1	158.4	56.8	0	0	0	0	107.9	R199 F200	S4-R199 VanDerWaalsContact OG-CZ 3.3Å; S4-R199 PolarHBondContact OG-NE 3.49Å; S4-R199 PolarHBondContact OG-NH2 2.87Å; S4-F200 WeakPolarHBondContact CA-O 3.43Å; S4-F200 WeakPolarHBondContact CB-O 3.22Å
5	P	90.1	Very high	85.4	Confident	13 Å²	13	37.2 Å²	37.2	8%	0.084	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-63.9	160.1	165.5	32.6	-36.5	0	0	0	110.3	Y7 L8 L40 S103 C105 F137	P5-Y7 WeakPolarHBondContact CB-O 3.42Å; P5-L8 HydrophobicContact CG-CD2 3.83Å; P5-L40 HydrophobicContact CG-CD1 4.23Å; P5-S103 WeakPolarHBondContact CA-OG 3.13Å; P5-C105 HydrophobicContact CB-CB 4.2Å; P5-C105 HydrophobicContact CG-CB 4.15Å; P5-F137 HydrophobicContact CG-CE2 4.08Å
6	D	90.2	Very high	85.8	Confident	69 Å²	69	34.9 Å²	34.9	37%	0.369	20%	0.197	S	C	.	.	S	Bend	trans	-82.2	-32.1	170.3	-48.9	-74.4	0	0	0	110.5	L40 S103	D6-L40 WeakPolarHBondContact O-CB 2.87Å; D6-L40 PolarHBondContact O-N 3.41Å; D6-L40 VanDerWaalsContact O-N 3.12Å; D6-S103 PolarHBondContact N-O 2.97Å; D6-S103 PolarHBondContact N-OG 3.14Å; D6-S103 WeakPolarHBondContact OD2-CA 3.15Å; D6-S103 WeakPolarHBondContact OD2-CB 3.36Å; D6-S103 PolarHBondContact OD2-N 3.29Å; D6-S103 PolarHBondContact OD2-OG 2.87Å
7	Y	94	Very high	86.1	Confident	51 Å²	51	33 Å²	33	20%	0.2	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	147.8	-179	-58.6	-92.6	0	0	0	112.5	P5 V37 V38 D39 L96 T102 S103 F104 C105	P5-Y7 WeakPolarHBondContact CB-O 3.42Å; Y7-V37 HydrophobicContact CD1-CG1 3.97Å; Y7-V38 CarbonylContact C-O 3.57Å; Y7-V38 VanDerWaalsContact CA-O 3.26Å; Y7-V38 WeakPolarHBondContact CA-O 3.27Å; Y7-D39 HydrophobicContact CD1-CB 3.88Å; Y7-D39 HydrophobicContact CE1-CB 3.66Å; Y7-L96 HydrophobicContact CD1-CD2 3.44Å; Y7-L96 VanDerWaalsContact CD1-CD2 3.44Å; Y7-L96 HydrophobicContact CD2-CD2 3.63Å; Y7-L96 HydrophobicContact CE1-CD2 3.92Å; Y7-L96 HydrophobicContact CE2-CD2 4.1Å; Y7-L96 HydrophobicContact CG-CD2 3.3Å; Y7-T102 HydrophobicContact CE2-CG2 4.45Å; Y7-S103 PolarHBondContact N-O 2.81Å; Y7-S103 VanDerWaalsContact N-O 3.14Å; Y7-F104 WeakPolarHBondContact O-CA 3.32Å; Y7-C105 PolarHBondContact O-N 3.43Å
8	L	96.3	Very high	86.4	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	146.5	160.7	-66.3	178.9	0	0	0	110.1	P5 V37 V38 L40 C105 C107 F137 I188 F200	P5-L8 HydrophobicContact CG-CD2 3.83Å; L8-V37 CarbonylContact O-C 3.57Å; L8-V38 HydrophobicContact CB-CB 4.43Å; L8-V38 PolarHBondContact N-O 3.36Å; L8-V38 PolarHBondContact O-N 2.75Å; L8-L40 HydrophobicContact CD1-CD2 4.13Å; L8-L40 HydrophobicContact CG-CD1 4.15Å; L8-L40 HydrophobicContact CG-CD2 4.09Å; L8-L40 HydrophobicContact CG-CG 4.42Å; L8-C105 CarbonylContact C-O 3.52Å; L8-C105 WeakPolarHBondContact CA-O 3.5Å; L8-C105 HydrophobicContact CD2-CB 4.08Å; L8-C107 HydrophobicContact CB-CB 4.38Å; L8-C107 HydrophobicContact CD1-CB 4.14Å; L8-F137 HydrophobicContact CD2-CD2 3.68Å; L8-F137 HydrophobicContact CD2-CE2 4.03Å; L8-I188 HydrophobicContact CD1-CD1 4.14Å; L8-I188 HydrophobicContact CD1-CG2 4.1Å; L8-F200 HydrophobicContact CD1-CD1 3.94Å; L8-F200 HydrophobicContact CD1-CD2 3.78Å; L8-F200 HydrophobicContact CD1-CE1 3.91Å; L8-F200 HydrophobicContact CD1-CE2 3.77Å; L8-F200 HydrophobicContact CD1-CG 3.87Å; L8-F200 HydrophobicContact CD1-CZ 3.84Å
9	V	96.9	Very high	86.5	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	103.3	164.5	-179.9	0	0	0	0	107	L11 W35 V37 F88 V92 F104 C105 L106 C107	V9-L11 PolarHBondContact O-N 2.96Å; V9-W35 HydrophobicContact CG1-CB 4.09Å; V9-V37 HydrophobicContact CG2-CG2 4.47Å; V9-F88 HydrophobicContact CG1-CE2 3.76Å; V9-F88 HydrophobicContact CG1-CZ 3.88Å; V9-V92 HydrophobicContact CG1-CG2 4.05Å; V9-V92 HydrophobicContact CG2-CG1 3.89Å; V9-V92 HydrophobicContact CG2-CG2 4.16Å; V9-F104 HydrophobicContact CB-CD2 4.43Å; V9-F104 HydrophobicContact CG2-CD2 3.61Å; V9-F104 HydrophobicContact CG2-CE2 4.03Å; V9-F104 HydrophobicContact CG2-CG 4.35Å; V9-C105 PolarHBondContact N-O 3.4Å; V9-L106 HydrophobicContact CB-CD2 4.07Å; V9-L106 HydrophobicContact CG1-CD2 4.32Å; V9-L106 CarbonylContact O-C 3.59Å; V9-L106 WeakPolarHBondContact O-CA 3.42Å; V9-C107 PolarHBondContact O-N 2.78Å
10	V	97.6	Very high	86.5	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	132.3	169.7	174.1	0	0	0	0	107.7	W35 K36 V38 C107 V181 M184 I188	V10-W35 CarbonylContact O-C 3.55Å; V10-W35 WeakPolarHBondContact O-CA 3.26Å; V10-W35 WeakPolarHBondContact O-CB 3.43Å; V10-K36 PolarHBondContact N-O 2.98Å; V10-K36 PolarHBondContact O-N 2.88Å; V10-V38 HydrophobicContact CG2-CG2 3.74Å; V10-C107 WeakPolarHBondContact CA-O 3.4Å; V10-V181 HydrophobicContact CB-CG1 4.4Å; V10-V181 HydrophobicContact CG1-CB 4.27Å; V10-V181 HydrophobicContact CG1-CG1 3.84Å; V10-V181 HydrophobicContact CG1-CG2 4.21Å; V10-M184 HydrophobicContact CG1-CB 3.71Å; V10-M184 HydrophobicContact CG1-CE 3.82Å; V10-M184 HydrophobicContact CG1-CG 4.44Å; V10-M184 HydrophobicContact CG1-SD 3.87Å; V10-I188 HydrophobicContact CG2-CD1 3.49Å; V10-I188 VanDerWaalsContact CG2-CD1 3.49Å
11	L	97.1	Very high	86.7	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	128	-176.5	-174.3	75.9	0	0	0	110	V9 L33 W35 F88 L106 C107 T108 L118 F133	V9-L11 PolarHBondContact O-N 2.96Å; L11-L33 HydrophobicContact CD1-CD1 3.74Å; L11-L33 HydrophobicContact CD1-CD2 4.15Å; L11-L33 HydrophobicContact CD1-CG 3.89Å; L11-L33 HydrophobicContact CG-CD1 4.15Å; L11-W35 HydrophobicContact CD1-CB 3.96Å; L11-F88 HydrophobicContact CD1-CD2 4.2Å; L11-F88 HydrophobicContact CD1-CE2 3.79Å; L11-L106 HydrophobicContact CD2-CD1 4.13Å; L11-C107 PolarHBondContact N-O 2.85Å; L11-T108 HydrophobicContact CB-CG2 4.05Å; L11-T108 HydrophobicContact CD2-CG2 4.33Å; L11-L118 HydrophobicContact CD2-CD1 3.89Å; L11-F133 HydrophobicContact CD2-CD1 4.39Å; L11-F133 HydrophobicContact CD2-CE1 3.73Å
12	F	96.4	Very high	89.2	Confident	13 Å²	13	31.1 Å²	31.1	6%	0.057	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	143.3	177.3	-167.5	-92.3	0	0	0	109.6	I14 F34 D109 H113 Y176 Q180 V181 M184	F12-I14 HydrophobicContact CD1-CG1 4.24Å; F12-I14 HydrophobicContact CE1-CD1 4.36Å; F12-I14 HydrophobicContact CE1-CG1 3.87Å; F12-F34 PolarHBondContact N-O 3.2Å; F12-F34 PolarHBondContact O-N 2.74Å; F12-D109 HydrophobicContact CD2-CB 4.5Å; F12-H113 AromaticContact CD2-CE1 3.58Å; F12-H113 AromaticContact CD2-NE2 3.49Å; F12-H113 WeakPolarHBondContact CD2-NE2 3.46Å; F12-H113 AromaticContact CE2-CE1 3.68Å; F12-H113 AromaticContact CE2-NE2 3.69Å; F12-H113 AromaticContact CG-NE2 3.82Å; F12-Y176 HydrophobicContact CE1-CD1 4.35Å; F12-Y176 AromaticContact CE1-CE1 3.92Å; F12-Y176 HydrophobicContact CE1-CE1 3.92Å; F12-Y176 AromaticContact CZ-CE1 3.85Å; F12-Y176 HydrophobicContact CZ-CE1 3.85Å; F12-Q180 HydrophobicContact CD1-CB 4.17Å; F12-Q180 HydrophobicContact CD2-CB 3.82Å; F12-Q180 HydrophobicContact CD2-CG 4.41Å; F12-Q180 HydrophobicContact CE1-CB 4.14Å; F12-Q180 HydrophobicContact CE1-CG 3.99Å; F12-Q180 HydrophobicContact CE2-CB 3.79Å; F12-Q180 HydrophobicContact CE2-CG 3.87Å; F12-Q180 HydrophobicContact CG-CB 4.03Å; F12-Q180 HydrophobicContact CZ-CB 3.96Å; F12-Q180 HydrophobicContact CZ-CG 3.65Å; F12-V181 HydrophobicContact CB-CG2 3.45Å; F12-V181 VanDerWaalsContact CB-CG2 3.45Å; F12-V181 HydrophobicContact CG-CG2 4.45Å; F12-M184 HydrophobicContact CD2-SD 4.38Å
13	G	94.6	Very high	91.1	Very high	2 Å²	2	28.7 Å²	28.7	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	132.7	-171.5	0	0	0	0	0	112.5	L32 H113	G13-L32 WeakPolarHBondContact CA-O 3.19Å; G13-H113 PolarHBondContact N-CD2 3.06Å; G13-H113 PolarHBondContact N-NE2 2.73Å; G13-H113 PolarHBondContact O-NE2 3.44Å
14	I	93.3	Very high	92.2	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134.6	-177.5	-50.4	178.7	0	0	0	109.1	F12 I31 L32 F34 T68 Y176	F12-I14 HydrophobicContact CD1-CG1 4.24Å; F12-I14 HydrophobicContact CE1-CD1 4.36Å; F12-I14 HydrophobicContact CE1-CG1 3.87Å; I14-I31 WeakPolarHBondContact O-CG1 3.26Å; I14-I31 PolarHBondContact O-N 3.21Å; I14-L32 HydrophobicContact CB-CB 4.32Å; I14-L32 HydrophobicContact CD1-CD1 4.42Å; I14-L32 PolarHBondContact N-O 3.24Å; I14-L32 PolarHBondContact O-N 2.8Å; I14-F34 HydrophobicContact CD1-CE2 3.92Å; I14-F34 HydrophobicContact CG1-CE2 4.45Å; I14-T68 HydrophobicContact CD1-CG2 4.15Å; I14-T68 HydrophobicContact CG2-CG2 3.73Å; I14-Y176 HydrophobicContact CD1-CD1 4.04Å
15	T	93.8	Very high	92.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	167.1	175.6	64.6	0	0	0	0	111.9	G17 A18 L23 E29 C64 I117	T15-G17 PolarHBondContact O-N 3.19Å; T15-G17 PolarHBondContact OG1-N 3.17Å; T15-A18 PolarHBondContact OG1-O 3.29Å; T15-L23 HydrophobicContact CG2-CD1 4.27Å; T15-E29 CarbonylContact C-O 3.56Å; T15-E29 WeakPolarHBondContact CA-O 3.46Å; T15-E29 WeakPolarHBondContact CB-O 3.32Å; T15-C64 PolarHBondContact O-SG 3.32Å; T15-I117 HydrophobicContact CG2-CD1 3.76Å; T15-I117 HydrophobicContact CG2-CG1 3.9Å; T15-I117 HydrophobicContact CG2-CG2 4.06Å
16	A	91.8	Very high	92.9	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.008	17%	0.167	C	C	.	.	S	Bend	trans	-66.6	11.6	169	0	0	0	0	0	114.5	K28 E29 I31 L60 T61	A16-K28 HydrophobicContact CB-CB 4.36Å; A16-K28 HydrophobicContact CB-CD 4.42Å; A16-E29 PolarHBondContact N-O 2.85Å; A16-I31 HydrophobicContact CB-CG2 3.84Å; A16-L60 HydrophobicContact CB-CD2 3.78Å; A16-L60 WeakPolarHBondContact O-CA 3.38Å; A16-T61 PolarHBondContact O-N 2.85Å
17	G	90.9	Very high	92.9	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.021	16%	0.162	C	C	.	.	S	Bend	trans	-148	-135.6	-162.7	0	0	0	0	0	113.6	T15 D26	T15-G17 PolarHBondContact O-N 3.19Å; T15-G17 PolarHBondContact OG1-N 3.17Å; G17-D26 VanDerWaalsContact CA-OD2 3.22Å; G17-D26 WeakPolarHBondContact CA-OD2 3.44Å
18	A	90.3	Very high	92.9	Very high	22 Å²	22	27 Å²	27	18%	0.182	16%	0.163	C	C	.	.			trans	-69.3	138.3	-175.8	0	0	0	0	0	113	T15 K22 L23 D26	T15-A18 PolarHBondContact OG1-O 3.29Å; A18-K22 HydrophobicContact CB-CB 3.83Å; A18-L23 WeakPolarHBondContact O-CA 3.23Å; A18-D26 PolarHBondContact N-OD2 3.39Å
19	T	88.6	Confident	92.7	Very high	46 Å²	46	27.7 Å²	27.7	28%	0.282	17%	0.166	S	C	.	.			trans	-112.8	-178.5	179.4	60.9	0	0	0	0	112.5	A21 K22 E67	T19-A21 PolarHBondContact O-N 3.42Å; T19-K22 PolarHBondContact O-N 3.42Å; T19-K22 VanDerWaalsContact O-N 3.16Å; T19-E67 WeakPolarHBondContact CG2-OE2 3.43Å; T19-E67 PolarHBondContact OG1-OE2 3.34Å
20	G	87.9	Confident	92.6	Very high	38 Å²	38	27.8 Å²	27.8	39%	0.392	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	56.8	-132.9	177.1	0	0	0	0	0	113.9	K22 L23 L112	G20-K22 PolarHBondContact O-N 3.19Å; G20-L23 WeakPolarHBondContact O-CB 3.5Å; G20-L23 PolarHBondContact O-N 3.33Å; G20-L23 VanDerWaalsContact O-N 3.09Å; G20-L112 WeakPolarHBondContact O-CD1 3.32Å
21	A	88.9	Confident	92.5	Very high	83 Å²	83	27.8 Å²	27.8	69%	0.686	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-64.7	-6.7	-179.5	0	0	0	0	0	115.1	T19	T19-A21 PolarHBondContact O-N 3.42Å
22	K	91.2	Very high	92.3	Very high	144 Å²	144	27.9 Å²	27.9	63%	0.626	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-109.1	6.4	176.8	-70.5	-179.1	-178.7	173.7	0	113.2	A18 T19 G20 G24 S25	A18-K22 HydrophobicContact CB-CB 3.83Å; T19-K22 PolarHBondContact O-N 3.42Å; T19-K22 VanDerWaalsContact O-N 3.16Å; G20-K22 PolarHBondContact O-N 3.19Å; K22-G24 PolarHBondContact O-N 3Å; K22-G24 VanDerWaalsContact O-N 3.16Å; K22-S25 VanDerWaalsContact O-CB 3.28Å; K22-S25 WeakPolarHBondContact O-CB 3.33Å; K22-S25 PolarHBondContact O-N 3.14Å; K22-S25 PolarHBondContact O-OG 2.95Å
23	L	93.3	Very high	92.3	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.052	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	116.3	-174.2	-171.9	68.3	0	0	0	112.5	T15 A18 G20 L112 Q116 I117	T15-L23 HydrophobicContact CG2-CD1 4.27Å; A18-L23 WeakPolarHBondContact O-CA 3.23Å; G20-L23 WeakPolarHBondContact O-CB 3.5Å; G20-L23 PolarHBondContact O-N 3.33Å; G20-L23 VanDerWaalsContact O-N 3.09Å; L23-L112 HydrophobicContact CB-CB 4.22Å; L23-L112 HydrophobicContact CB-CD1 4.01Å; L23-L112 HydrophobicContact CD2-CB 4.15Å; L23-Q116 WeakPolarHBondContact O-CB 3.43Å; L23-I117 HydrophobicContact CD1-CD1 3.9Å; L23-I117 HydrophobicContact CD2-CD1 3.82Å; L23-I117 HydrophobicContact CG-CD1 3.71Å; L23-I117 HydrophobicContact CG-CG1 4.14Å
24	G	91.4	Very high	92.3	Very high	6 Å²	6	27.3 Å²	27.3	6%	0.062	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	7.5	-178.3	0	0	0	0	0	116.2	K22 D26	K22-G24 PolarHBondContact O-N 3Å; K22-G24 VanDerWaalsContact O-N 3.16Å; G24-D26 VanDerWaalsContact C-N 3.3Å; G24-D26 PolarHBondContact O-N 3.42Å
25	S	93.6	Very high	92.5	Very high	33 Å²	33	27.4 Å²	27.4	23%	0.231	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-5.5	179	66.4	0	0	0	0	115	K22 H288	K22-S25 VanDerWaalsContact O-CB 3.28Å; K22-S25 WeakPolarHBondContact O-CB 3.33Å; K22-S25 PolarHBondContact O-N 3.14Å; K22-S25 PolarHBondContact O-OG 2.95Å; S25-H288 VanDerWaalsContact C-NE2 3.32Å; S25-H288 PolarHBondContact O-NE2 3.44Å
26	D	92.4	Very high	92.6	Very high	56 Å²	56	28.2 Å²	28.2	30%	0.299	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	11.5	-175	61.8	-13.7	0	0	0	114.1	G17 A18 G24 K28	G17-D26 VanDerWaalsContact CA-OD2 3.22Å; G17-D26 WeakPolarHBondContact CA-OD2 3.44Å; A18-D26 PolarHBondContact N-OD2 3.39Å; G24-D26 VanDerWaalsContact C-N 3.3Å; G24-D26 PolarHBondContact O-N 3.42Å; D26-K28 HydrophobicContact CB-CG 4.46Å; D26-K28 PolarHBondContact O-N 3.24Å; D26-K28 VanDerWaalsContact O-N 3.16Å; D26-K28 PolarHBondContact OD1-N 3.12Å; D26-K28 WeakPolarHBondContact OD2-CG 3.28Å
27	E	91.1	Very high	92.8	Very high	57 Å²	57	28.5 Å²	28.5	27%	0.266	17%	0.169	S	C	.	.			trans	63	10.8	-178.6	-140.6	-166.5	129.7	0	0	115	K124 H288 H289	E27-K124 IonicContact OE1-NZ 3.33Å; E27-K124 PolarHBondContact OE1-NZ 3.14Å; E27-H288 HydrophobicContact CG-CB 4.44Å; E27-H288 WeakPolarHBondContact OE2-CA 3.44Å; E27-H289 IonicContact OE2-CE1 2.98Å; E27-H289 IonicContact OE2-CG 2.95Å; E27-H289 PolarHBondContact OE2-N 2.81Å; E27-H289 IonicContact OE2-ND1 3.92Å; E27-H289 PolarHBondContact OE2-ND1 2.62Å
28	K	92.9	Very high	93	Very high	50 Å²	50	28.4 Å²	28.4	22%	0.217	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-78.3	145.6	178	-69.4	-73.2	178.7	174.4	0	112.3	A16 D26 E59	A16-K28 HydrophobicContact CB-CB 4.36Å; A16-K28 HydrophobicContact CB-CD 4.42Å; D26-K28 HydrophobicContact CB-CG 4.46Å; D26-K28 PolarHBondContact O-N 3.24Å; D26-K28 VanDerWaalsContact O-N 3.16Å; D26-K28 PolarHBondContact OD1-N 3.12Å; D26-K28 WeakPolarHBondContact OD2-CG 3.28Å; K28-E59 PolarHBondContact NZ-O 3.43Å; K28-E59 IonicContact NZ-OE2 2.77Å; K28-E59 PolarHBondContact NZ-OE2 3.02Å
29	E	93.6	Very high	93.1	Very high	14 Å²	14	28.4 Å²	28.4	7%	0.065	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-85.1	154.4	-168.3	-55.8	175.6	67.7	0	0	112.9	T15 A16 P55 D56 Q57 K125	T15-E29 CarbonylContact C-O 3.56Å; T15-E29 WeakPolarHBondContact CA-O 3.46Å; T15-E29 WeakPolarHBondContact CB-O 3.32Å; A16-E29 PolarHBondContact N-O 2.85Å; E29-P55 HydrophobicContact CB-CB 3.94Å; E29-P55 HydrophobicContact CG-CB 4.37Å; E29-P55 WeakPolarHBondContact OE1-CA 3.13Å; E29-P55 WeakPolarHBondContact OE2-CB 3.42Å; E29-D56 VanDerWaalsContact CD-N 3.26Å; E29-D56 PolarHBondContact OE1-N 3.29Å; E29-D56 PolarHBondContact OE2-N 3.01Å; E29-Q57 PolarHBondContact OE2-N 3.28Å; E29-K125 WeakPolarHBondContact OE1-CE 3.38Å; E29-K125 IonicContact OE1-NZ 2.69Å; E29-K125 PolarHBondContact OE1-NZ 3.18Å
30	L	94.6	Very high	93.3	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	132.1	170.2	-172.5	74.2	0	0	0	110.8	L32 L33 V53 L81 I117 L118 E121	L30-L32 WeakPolarHBondContact CD1-O 3.36Å; L30-L33 HydrophobicContact CD1-CD1 4.45Å; L30-L33 HydrophobicContact CD2-CB 4.34Å; L30-L33 HydrophobicContact CD2-CD1 4.29Å; L30-V53 HydrophobicContact CD2-CG2 4.07Å; L30-V53 HydrophobicContact CG-CG2 4.32Å; L30-V53 WeakPolarHBondContact O-CB 3.47Å; L30-V53 WeakPolarHBondContact O-CG1 3.33Å; L30-L81 HydrophobicContact CD2-CD1 3.86Å; L30-I117 HydrophobicContact CB-CG2 3.9Å; L30-I117 HydrophobicContact CD1-CD1 4.48Å; L30-I117 HydrophobicContact CD1-CG2 4.08Å; L30-I117 HydrophobicContact CG-CG2 4.5Å; L30-L118 HydrophobicContact CD2-CD2 3.95Å; L30-E121 WeakPolarHBondContact CB-OE2 3.45Å; L30-E121 PolarHBondContact N-OE2 2.69Å
31	I	94.4	Very high	93.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	-24.4	177.8	62.2	172.7	0	0	0	113.5	I14 A16 V53 P55 L60 C64 I70 L75	I14-I31 WeakPolarHBondContact O-CG1 3.26Å; I14-I31 PolarHBondContact O-N 3.21Å; A16-I31 HydrophobicContact CB-CG2 3.84Å; I31-V53 WeakPolarHBondContact CA-O 3.47Å; I31-V53 PolarHBondContact O-N 3.46Å; I31-P55 HydrophobicContact CG2-CG 4.31Å; I31-L60 HydrophobicContact CD1-CD2 3.69Å; I31-L60 HydrophobicContact CG2-CD2 4.25Å; I31-C64 VanDerWaalsContact CD1-SG 3.51Å; I31-I70 HydrophobicContact CD1-CD1 3.73Å; I31-I70 HydrophobicContact CG1-CD1 4.32Å; I31-L75 HydrophobicContact CB-CD2 3.84Å; I31-L75 HydrophobicContact CG2-CD2 4.3Å
32	L	93.3	Very high	93.4	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.016	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	137.1	175	-86	173.3	0	0	0	110.1	G13 I14 L30 F34 V51 L52 I70	G13-L32 WeakPolarHBondContact CA-O 3.19Å; I14-L32 HydrophobicContact CB-CB 4.32Å; I14-L32 HydrophobicContact CD1-CD1 4.42Å; I14-L32 PolarHBondContact N-O 3.24Å; I14-L32 PolarHBondContact O-N 2.8Å; L30-L32 WeakPolarHBondContact CD1-O 3.36Å; L32-F34 HydrophobicContact CB-CD2 4.42Å; L32-F34 HydrophobicContact CB-CE2 3.84Å; L32-F34 HydrophobicContact CD1-CE2 3.81Å; L32-F34 HydrophobicContact CD1-CZ 3.83Å; L32-F34 HydrophobicContact CD2-CE2 4.48Å; L32-F34 HydrophobicContact CD2-CZ 4.36Å; L32-F34 HydrophobicContact CG-CE2 4.29Å; L32-F34 HydrophobicContact CG-CZ 4.49Å; L32-V51 WeakPolarHBondContact CA-O 3.34Å; L32-L52 HydrophobicContact CD2-CD2 3.5Å; L32-L52 HydrophobicContact CD2-CG 3.91Å; L32-L52 HydrophobicContact CG-CD2 3.95Å; L32-I70 HydrophobicContact CD1-CD1 3.5Å; L32-I70 HydrophobicContact CD1-CG1 4.09Å; L32-I70 HydrophobicContact CG-CD1 3.92Å
33	L	95.6	Very high	93.5	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.7	168.5	-167.7	70	0	0	0	109.1	L11 L30 E50 V51	L11-L33 HydrophobicContact CD1-CD1 3.74Å; L11-L33 HydrophobicContact CD1-CD2 4.15Å; L11-L33 HydrophobicContact CD1-CG 3.89Å; L11-L33 HydrophobicContact CG-CD1 4.15Å; L30-L33 HydrophobicContact CD1-CD1 4.45Å; L30-L33 HydrophobicContact CD2-CB 4.34Å; L30-L33 HydrophobicContact CD2-CD1 4.29Å; L33-E50 CarbonylContact O-C 3.55Å; L33-E50 WeakPolarHBondContact O-CA 3.29Å; L33-V51 HydrophobicContact CB-CG1 3.93Å; L33-V51 PolarHBondContact N-O 3.15Å; L33-V51 PolarHBondContact O-N 2.91Å
34	F	95.9	Very high	93.5	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	140.5	177	-63.6	-91.6	0	0	0	109.6	F12 I14 L32 H49 E50 A178 V181	F12-F34 PolarHBondContact N-O 3.2Å; F12-F34 PolarHBondContact O-N 2.74Å; I14-F34 HydrophobicContact CD1-CE2 3.92Å; I14-F34 HydrophobicContact CG1-CE2 4.45Å; L32-F34 HydrophobicContact CB-CD2 4.42Å; L32-F34 HydrophobicContact CB-CE2 3.84Å; L32-F34 HydrophobicContact CD1-CE2 3.81Å; L32-F34 HydrophobicContact CD1-CZ 3.83Å; L32-F34 HydrophobicContact CD2-CE2 4.48Å; L32-F34 HydrophobicContact CD2-CZ 4.36Å; L32-F34 HydrophobicContact CG-CE2 4.29Å; L32-F34 HydrophobicContact CG-CZ 4.49Å; F34-H49 WeakPolarHBondContact CA-O 3.4Å; F34-E50 HydrophobicContact CD1-CB 3.62Å; F34-E50 HydrophobicContact CE1-CB 3.71Å; F34-E50 WeakPolarHBondContact CE1-OE2 3.39Å; F34-E50 HydrophobicContact CG-CB 4.49Å; F34-A178 HydrophobicContact CE1-CB 4.25Å; F34-V181 HydrophobicContact CB-CG2 3.66Å
35	W	96.8	Very high	93.6	Very high	6 Å²	6	35.3 Å²	35.3	2%	0.023	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	156.9	173.1	67.5	100.7	0	0	0	113.1	V9 V10 L11 H49 V51 F88 S91	V9-W35 HydrophobicContact CG1-CB 4.09Å; V10-W35 CarbonylContact O-C 3.55Å; V10-W35 WeakPolarHBondContact O-CA 3.26Å; V10-W35 WeakPolarHBondContact O-CB 3.43Å; L11-W35 HydrophobicContact CD1-CB 3.96Å; W35-H49 AromaticContact CD1-CD2 3.86Å; W35-H49 HydrophobicContact CD2-CB 3.65Å; W35-H49 AromaticContact CE2-CG 3.78Å; W35-H49 HydrophobicContact CE3-CB 4.1Å; W35-H49 HydrophobicContact CG-CB 4.17Å; W35-H49 HydrophobicContact CH2-CB 3.9Å; W35-H49 HydrophobicContact CZ2-CB 3.43Å; W35-H49 VanDerWaalsContact CZ2-CB 3.43Å; W35-H49 HydrophobicContact CZ3-CB 4.2Å; W35-H49 PolarHBondContact N-O 2.76Å; W35-H49 AromaticContact NE1-CD2 3.57Å; W35-H49 AromaticContact NE1-CG 3.58Å; W35-H49 PolarHBondContact O-N 2.79Å; W35-V51 HydrophobicContact CH2-CB 4.18Å; W35-V51 HydrophobicContact CH2-CG1 4.22Å; W35-V51 HydrophobicContact CZ3-CB 4.03Å; W35-V51 HydrophobicContact CZ3-CG1 3.74Å; W35-F88 HydrophobicContact CB-CD2 4.07Å; W35-F88 HydrophobicContact CB-CE2 3.81Å; W35-F88 AromaticContact CD1-CD2 3.88Å; W35-F88 AromaticContact CD1-CE2 3.91Å; W35-F88 AromaticContact CD2-CD2 3.54Å; W35-F88 HydrophobicContact CD2-CD2 3.54Å; W35-F88 HydrophobicContact CD2-CE2 4.17Å; W35-F88 AromaticContact CE2-CD2 3.85Å; W35-F88 HydrophobicContact CE3-CD2 4.01Å; W35-F88 AromaticContact CG-CD2 3.57Å; W35-F88 HydrophobicContact CG-CD2 3.57Å; W35-F88 AromaticContact CG-CE2 3.68Å; W35-F88 HydrophobicContact CG-CE2 3.68Å; W35-F88 HydrophobicContact CZ2-CB 4.38Å; W35-S91 PolarHBondContact NE1-OG 3.05Å
36	K	95.5	Very high	93.4	Very high	17 Å²	17	35.2 Å²	35.2	7%	0.074	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	134.6	178.3	-169.7	165	-166.9	176.8	0	110.6	V10 V45 G46 Q47 L48 V181 E182	V10-K36 PolarHBondContact N-O 2.98Å; V10-K36 PolarHBondContact O-N 2.88Å; K36-V45 HydrophobicContact CD-CB 4.45Å; K36-V45 HydrophobicContact CD-CG1 3.58Å; K36-V45 VanDerWaalsContact CE-CG1 3.44Å; K36-V45 HydrophobicContact CG-CG1 3.85Å; K36-G46 WeakPolarHBondContact CE-O 3.49Å; K36-Q47 WeakPolarHBondContact CG-O 3.39Å; K36-L48 HydrophobicContact CD-CB 4.32Å; K36-V181 HydrophobicContact CB-CG1 3.36Å; K36-V181 HydrophobicContact CD-CG1 4.26Å; K36-V181 HydrophobicContact CG-CG1 4.42Å; K36-E182 IonicContact NZ-OE1 2.76Å; K36-E182 PolarHBondContact NZ-OE1 2.83Å; K36-E182 IonicContact NZ-OE2 3.71Å; K36-E182 PolarHBondContact NZ-OE2 3.29Å
37	V	95.8	Very high	93.4	Very high	7 Å²	7	38.7 Å²	38.7	4%	0.042	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	143	176.6	179.8	0	0	0	0	110	Y7 L8 V9 G46 E95 L96	Y7-V37 HydrophobicContact CD1-CG1 3.97Å; L8-V37 CarbonylContact O-C 3.57Å; V9-V37 HydrophobicContact CG2-CG2 4.47Å; V37-G46 PolarHBondContact O-N 3.02Å; V37-E95 HydrophobicContact CB-CG 4.36Å; V37-E95 HydrophobicContact CG2-CB 4.29Å; V37-E95 HydrophobicContact CG2-CG 4Å; V37-E95 WeakPolarHBondContact CG2-OE2 3.21Å; V37-L96 HydrophobicContact CG1-CD2 3.59Å; V37-L96 HydrophobicContact CG1-CG 4.48Å
38	V	95.8	Very high	93.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	118.4	171.6	-167.8	0	0	0	0	108.9	Y7 L8 V10 L40 K44 V45 I188 L189	Y7-V38 CarbonylContact C-O 3.57Å; Y7-V38 VanDerWaalsContact CA-O 3.26Å; Y7-V38 WeakPolarHBondContact CA-O 3.27Å; L8-V38 HydrophobicContact CB-CB 4.43Å; L8-V38 PolarHBondContact N-O 3.36Å; L8-V38 PolarHBondContact O-N 2.75Å; V10-V38 HydrophobicContact CG2-CG2 3.74Å; V38-L40 HydrophobicContact CG1-CD2 4.31Å; V38-K44 WeakPolarHBondContact CA-O 3.28Å; V38-V45 HydrophobicContact CG2-CG1 4.05Å; V38-I188 HydrophobicContact CG1-CG2 3.93Å; V38-L189 HydrophobicContact CG1-CD2 3.85Å
39	D	93.3	Very high	93.7	Very high	23 Å²	23	37.7 Å²	37.7	12%	0.123	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	111.4	173.7	-176	-32.3	0	0	0	109.1	Y7 A41 N42 K43 K44	Y7-D39 HydrophobicContact CD1-CB 3.88Å; Y7-D39 HydrophobicContact CE1-CB 3.66Å; D39-A41 PolarHBondContact OD1-N 3.29Å; D39-N42 HydrophobicContact CB-CB 4.46Å; D39-N42 PolarHBondContact OD1-N 3.3Å; D39-N42 PolarHBondContact OD1-ND2 2.65Å; D39-N42 WeakPolarHBondContact OD2-CB 3.21Å; D39-N42 PolarHBondContact OD2-ND2 2.96Å; D39-K43 VanDerWaalsContact O-CA 3.23Å; D39-K43 WeakPolarHBondContact O-CA 3.41Å; D39-K43 PolarHBondContact O-N 3.22Å; D39-K44 HydrophobicContact CB-CB 4.45Å; D39-K44 PolarHBondContact N-O 2.87Å; D39-K44 PolarHBondContact O-N 3.43Å
40	L	92.5	Very high	93.7	Very high	29 Å²	29	40.9 Å²	40.9	15%	0.152	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-23.9	-176.8	-56.5	-173.5	0	0	0	112.7	P5 D6 L8 V38 I188 I192 F200	P5-L40 HydrophobicContact CG-CD1 4.23Å; D6-L40 WeakPolarHBondContact O-CB 2.87Å; D6-L40 PolarHBondContact O-N 3.41Å; D6-L40 VanDerWaalsContact O-N 3.12Å; L8-L40 HydrophobicContact CD1-CD2 4.13Å; L8-L40 HydrophobicContact CG-CD1 4.15Å; L8-L40 HydrophobicContact CG-CD2 4.09Å; L8-L40 HydrophobicContact CG-CG 4.42Å; V38-L40 HydrophobicContact CG1-CD2 4.31Å; L40-I188 HydrophobicContact CD2-CG2 4.07Å; L40-I192 HydrophobicContact CD2-CD1 4.04Å; L40-I192 HydrophobicContact CD2-CG2 4.32Å; L40-F200 HydrophobicContact CD1-CD2 4.2Å; L40-F200 HydrophobicContact CD2-CD2 4.5Å
41	A	88.9	Confident	93.7	Very high	85 Å²	85	41.3 Å²	41.3	70%	0.702	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-44.9	-178.1	0	0	0	0	0	111.6	D39	D39-A41 PolarHBondContact OD1-N 3.29Å
42	N	90.8	Very high	93.7	Very high	97 Å²	97	43.7 Å²	43.7	52%	0.519	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-6.5	178.3	-64.5	-76.2	0	0	0	113.7	D39 K44	D39-N42 HydrophobicContact CB-CB 4.46Å; D39-N42 PolarHBondContact OD1-N 3.3Å; D39-N42 PolarHBondContact OD1-ND2 2.65Å; D39-N42 WeakPolarHBondContact OD2-CB 3.21Å; D39-N42 PolarHBondContact OD2-ND2 2.96Å; N42-K44 HydrophobicContact CB-CD 4.19Å; N42-K44 HydrophobicContact CB-CG 4.45Å
43	K	92.9	Very high	93.8	Very high	88 Å²	88	43.5 Å²	43.5	38%	0.383	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	52.2	-179.9	-56.8	-173.2	168.5	-164.1	0	113	D39 L189 I192 S193	D39-K43 VanDerWaalsContact O-CA 3.23Å; D39-K43 WeakPolarHBondContact O-CA 3.41Å; D39-K43 PolarHBondContact O-N 3.22Å; K43-L189 VanDerWaalsContact C-CD2 3.47Å; K43-L189 HydrophobicContact CB-CD2 4.27Å; K43-I192 HydrophobicContact CB-CD1 4.44Å; K43-I192 HydrophobicContact CD-CG1 4.45Å; K43-I192 VanDerWaalsContact CE-O 3.22Å; K43-I192 WeakPolarHBondContact CE-O 3.38Å; K43-I192 HydrophobicContact CG-CD1 3.95Å; K43-I192 HydrophobicContact CG-CG1 4.29Å; K43-I192 PolarHBondContact NZ-O 2.99Å; K43-S193 VanDerWaalsContact NZ-CA 3.34Å; K43-S193 PolarHBondContact NZ-OG 3.34Å
44	K	92.8	Very high	93.7	Very high	133 Å²	133	47.6 Å²	47.6	58%	0.578	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.3	-177.4	-71.4	172.4	-174.6	172.4	0	111.4	V38 D39 N42	V38-K44 WeakPolarHBondContact CA-O 3.28Å; D39-K44 HydrophobicContact CB-CB 4.45Å; D39-K44 PolarHBondContact N-O 2.87Å; D39-K44 PolarHBondContact O-N 3.43Å; N42-K44 HydrophobicContact CB-CD 4.19Å; N42-K44 HydrophobicContact CB-CG 4.45Å
45	V	92.4	Very high	93.5	Very high	39 Å²	39	47.8 Å²	47.8	24%	0.236	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	136.8	166.5	-134.4	0	0	0	0	108.4	K36 V38 L189	K36-V45 HydrophobicContact CD-CB 4.45Å; K36-V45 HydrophobicContact CD-CG1 3.58Å; K36-V45 VanDerWaalsContact CE-CG1 3.44Å; K36-V45 HydrophobicContact CG-CG1 3.85Å; V38-V45 HydrophobicContact CG2-CG1 4.05Å; V45-L189 HydrophobicContact CG2-CD1 3.5Å; V45-L189 VanDerWaalsContact CG2-CD1 3.5Å; V45-L189 HydrophobicContact CG2-CG 4.09Å
46	G	90.9	Very high	93.1	Very high	31 Å²	31	52.4 Å²	52.4	32%	0.32	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-147	-177.7	0	0	0	0	0	113.7	K36 V37 E95	K36-G46 WeakPolarHBondContact CE-O 3.49Å; V37-G46 PolarHBondContact O-N 3.02Å; G46-E95 WeakPolarHBondContact CA-OE1 3.45Å
47	Q	92.3	Very high	92.5	Very high	130 Å²	130	57 Å²	57	61%	0.607	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	140.2	172.6	-179.9	166.5	-6.7	0	0	111.3	K36 H49 E95	K36-Q47 WeakPolarHBondContact CG-O 3.39Å; Q47-H49 PolarHBondContact O-CD2 2.85Å; Q47-H49 PolarHBondContact O-NE2 2.77Å; Q47-E95 PolarHBondContact N-OE1 3.24Å
48	L	94.2	Very high	91.7	Very high	48 Å²	48	60.8 Å²	60.8	25%	0.251	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	127.7	166.3	177.2	67.5	0	0	0	109.6	K36 A178 V181	K36-L48 HydrophobicContact CD-CB 4.32Å; L48-A178 HydrophobicContact CD2-CB 3.68Å; L48-V181 HydrophobicContact CD1-CB 3.87Å; L48-V181 HydrophobicContact CD1-CG1 3.51Å
49	H	95.1	Very high	91	Very high	37 Å²	37	66.2 Å²	66.2	17%	0.171	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	150.9	174.5	-54.3	-98.6	0	0	0	110.4	F34 W35 Q47 S91 E95	F34-H49 WeakPolarHBondContact CA-O 3.4Å; W35-H49 AromaticContact CD1-CD2 3.86Å; W35-H49 HydrophobicContact CD2-CB 3.65Å; W35-H49 AromaticContact CE2-CG 3.78Å; W35-H49 HydrophobicContact CE3-CB 4.1Å; W35-H49 HydrophobicContact CG-CB 4.17Å; W35-H49 HydrophobicContact CH2-CB 3.9Å; W35-H49 HydrophobicContact CZ2-CB 3.43Å; W35-H49 VanDerWaalsContact CZ2-CB 3.43Å; W35-H49 HydrophobicContact CZ3-CB 4.2Å; W35-H49 PolarHBondContact N-O 2.76Å; W35-H49 AromaticContact NE1-CD2 3.57Å; W35-H49 AromaticContact NE1-CG 3.58Å; W35-H49 PolarHBondContact O-N 2.79Å; Q47-H49 PolarHBondContact O-CD2 2.85Å; Q47-H49 PolarHBondContact O-NE2 2.77Å; H49-S91 PolarHBondContact CE1-OG 3.35Å; H49-S91 PolarHBondContact ND1-OG 3.35Å; H49-S91 PolarHBondContact NE2-OG 3.14Å; H49-E95 IonicContact CD2-OE2 2.74Å; H49-E95 IonicContact CE1-OE2 3.41Å; H49-E95 IonicContact NE2-OE2 3.94Å; H49-E95 PolarHBondContact NE2-OE2 2.71Å
50	E	94.1	Very high	90.5	Very high	81 Å²	81	66 Å²	66	38%	0.379	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	151.8	175.2	64.5	178.6	-140.2	0	0	110.8	L33 F34 R175	L33-E50 CarbonylContact O-C 3.55Å; L33-E50 WeakPolarHBondContact O-CA 3.29Å; F34-E50 HydrophobicContact CD1-CB 3.62Å; F34-E50 HydrophobicContact CE1-CB 3.71Å; F34-E50 WeakPolarHBondContact CE1-OE2 3.39Å; F34-E50 HydrophobicContact CG-CB 4.49Å; E50-R175 VanDerWaalsContact CD-NH1 3.35Å; E50-R175 IonicContact OE1-CZ 2.72Å; E50-R175 IonicContact OE1-NH1 3.68Å; E50-R175 PolarHBondContact OE1-NH1 2.79Å; E50-R175 IonicContact OE1-NH2 3.52Å; E50-R175 PolarHBondContact OE1-NH2 2.67Å; E50-R175 IonicContact OE2-CZ 3.59Å; E50-R175 IonicContact OE2-NH1 3.86Å; E50-R175 PolarHBondContact OE2-NH1 2.63Å; E50-R175 IonicContact OE2-NH2 3.49Å; E50-R175 PolarHBondContact OE2-NH2 3.18Å
51	V	94.9	Very high	90.1	Very high	11 Å²	11	66.7 Å²	66.7	7%	0.067	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	135.8	169.6	69.5	0	0	0	0	110.9	L32 L33 W35 V53 A84	L32-V51 WeakPolarHBondContact CA-O 3.34Å; L33-V51 HydrophobicContact CB-CG1 3.93Å; L33-V51 PolarHBondContact N-O 3.15Å; L33-V51 PolarHBondContact O-N 2.91Å; W35-V51 HydrophobicContact CH2-CB 4.18Å; W35-V51 HydrophobicContact CH2-CG1 4.22Å; W35-V51 HydrophobicContact CZ3-CB 4.03Å; W35-V51 HydrophobicContact CZ3-CG1 3.74Å; V51-V53 HydrophobicContact CG1-CG2 4.46Å; V51-A84 HydrophobicContact CG1-CB 3.81Å; V51-A84 HydrophobicContact CG2-CB 3.99Å
52	L	94.1	Very high	89.7	Confident	49 Å²	49	68.1 Å²	68.1	26%	0.257	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	132.5	168.6	-74.9	162.6	0	0	0	110	L32 I70 L75 A78 S79	L32-L52 HydrophobicContact CD2-CD2 3.5Å; L32-L52 HydrophobicContact CD2-CG 3.91Å; L32-L52 HydrophobicContact CG-CD2 3.95Å; L52-I70 HydrophobicContact CD2-CG2 4.07Å; L52-L75 HydrophobicContact CD2-CD2 3.78Å; L52-L75 HydrophobicContact CD2-CG 4.39Å; L52-A78 HydrophobicContact CB-CB 3.65Å; L52-S79 PolarHBondContact O-OG 2.8Å
53	V	94.6	Very high	89.1	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-111.7	127.8	177.2	-176	0	0	0	0	108.2	L30 I31 V51 P55 S79 L81 A84	L30-V53 HydrophobicContact CD2-CG2 4.07Å; L30-V53 HydrophobicContact CG-CG2 4.32Å; L30-V53 WeakPolarHBondContact O-CB 3.47Å; L30-V53 WeakPolarHBondContact O-CG1 3.33Å; I31-V53 WeakPolarHBondContact CA-O 3.47Å; I31-V53 PolarHBondContact O-N 3.46Å; V51-V53 HydrophobicContact CG1-CG2 4.46Å; V53-P55 WeakPolarHBondContact O-CD 3.42Å; V53-S79 CarbonylContact C-O 3.57Å; V53-S79 WeakPolarHBondContact CA-O 3.37Å; V53-L81 HydrophobicContact CG1-CB 4.19Å; V53-L81 HydrophobicContact CG1-CD1 4.26Å; V53-A84 HydrophobicContact CG2-CB 3.77Å
54	R	93.8	Very high	88.5	Confident	88 Å²	88	65.1 Å²	65.1	33%	0.332	33%	0.326	S	S	.	.			trans	-81	122.2	177.1	-167.8	-176	82.3	-176.7	6	110.1	L75 S76 A78 S79	R54-L75 WeakPolarHBondContact CG-O 3.22Å; R54-S76 WeakPolarHBondContact CD-O 3.38Å; R54-A78 HydrophobicContact CB-CB 4.1Å; R54-S79 PolarHBondContact N-O 3.48Å
55	P	91.4	Very high	88	Confident	4 Å²	4	62.4 Å²	62.4	3%	0.026	31%	0.314	C	S	.	.			trans	-73.4	156.1	170	33.6	-35.9	0	0	0	110.7	E29 I31 V53 Q57 L58	E29-P55 HydrophobicContact CB-CB 3.94Å; E29-P55 HydrophobicContact CG-CB 4.37Å; E29-P55 WeakPolarHBondContact OE1-CA 3.13Å; E29-P55 WeakPolarHBondContact OE2-CB 3.42Å; I31-P55 HydrophobicContact CG2-CG 4.31Å; V53-P55 WeakPolarHBondContact O-CD 3.42Å; P55-Q57 VanDerWaalsContact C-N 3.32Å; P55-L58 HydrophobicContact CG-CD2 3.74Å; P55-L58 HydrophobicContact CG-CG 4.24Å
56	D	88.7	Confident	87.3	Confident	104 Å²	104	67.9 Å²	67.9	56%	0.556	34%	0.337	S	S	*	.	S	Bend	trans	-75.6	-26.3	169.6	-66.9	-31.8	0	0	0	110.9	E29 K125	E29-D56 VanDerWaalsContact CD-N 3.26Å; E29-D56 PolarHBondContact OE1-N 3.29Å; E29-D56 PolarHBondContact OE2-N 3.01Å; D56-K125 WeakPolarHBondContact OD2-CE 3.34Å
57	Q	83.6	Confident	86.6	Confident	114 Å²	114	69.4 Å²	69.4	53%	0.533	34%	0.336	S	S	.	.	S	Bend	trans	-117.5	109.8	170.7	-62.6	-174	-61.9	0	0	111.4	E29 P55 E59	E29-Q57 PolarHBondContact OE2-N 3.28Å; P55-Q57 VanDerWaalsContact C-N 3.32Å; Q57-E59 PolarHBondContact O-N 3.05Å
58	L	79.3	Confident	85.9	Confident	85 Å²	85	63.5 Å²	63.5	45%	0.445	31%	0.309	S	S	.	.			trans	-75.2	50.9	178.2	-74.1	162.9	0	0	0	113	P55 L75	P55-L58 HydrophobicContact CG-CD2 3.74Å; P55-L58 HydrophobicContact CG-CG 4.24Å; L58-L75 HydrophobicContact CD2-CB 4.15Å
59	E	80.6	Confident	85.1	Confident	115 Å²	115	69.7 Å²	69.7	54%	0.537	33%	0.334	S	S	.	.			trans	-112	83.1	178.2	-74	-176.4	-176.9	0	0	110.8	K28 Q57	K28-E59 PolarHBondContact NZ-O 3.43Å; K28-E59 IonicContact NZ-OE2 2.77Å; K28-E59 PolarHBondContact NZ-OE2 3.02Å; Q57-E59 PolarHBondContact O-N 3.05Å
60	L	83	Confident	84.4	Confident	19 Å²	19	69.1 Å²	69.1	10%	0.099	33%	0.332	C	S	.	.			trans	-73.6	135.6	170.3	-58.7	172.9	0	0	0	110.9	A16 I31 K65 V72 L75	A16-L60 HydrophobicContact CB-CD2 3.78Å; A16-L60 WeakPolarHBondContact O-CA 3.38Å; I31-L60 HydrophobicContact CD1-CD2 3.69Å; I31-L60 HydrophobicContact CG2-CD2 4.25Å; L60-K65 HydrophobicContact CB-CD 4.49Å; L60-K65 HydrophobicContact CB-CG 3.94Å; L60-K65 HydrophobicContact CD1-CG 4.07Å; L60-K65 VanDerWaalsContact O-CE 3.3Å; L60-K65 WeakPolarHBondContact O-CE 3.47Å; L60-V72 HydrophobicContact CD1-CG2 4.33Å; L60-L75 HydrophobicContact CD1-CD1 3.89Å; L60-L75 HydrophobicContact CD2-CD1 4.1Å; L60-L75 HydrophobicContact CG-CD1 4.46Å
61	T	84	Confident	83.5	Confident	42 Å²	42	69.3 Å²	69.3	26%	0.258	34%	0.335	S	S	.	.			trans	-66.1	155.6	164.3	54.4	0	0	0	0	111.4	A16 C64 K65	A16-T61 PolarHBondContact O-N 2.85Å; T61-C64 WeakPolarHBondContact O-CB 3.48Å; T61-C64 PolarHBondContact O-N 3.48Å; T61-C64 WeakPolarHBondContact OG1-CB 3.32Å; T61-C64 PolarHBondContact OG1-N 3.35Å; T61-K65 WeakPolarHBondContact O-CG 3.39Å; T61-K65 PolarHBondContact O-N 3.26Å; T61-K65 VanDerWaalsContact O-N 3.15Å
62	E	80.6	Confident	82.8	Confident	115 Å²	115	72.5 Å²	72.5	54%	0.537	36%	0.355	S	S	.	.	H	α-helix	trans	-63.1	-44	177.1	-52.6	-46.6	130.5	0	0	111.4	C64 K65 E66	E62-C64 PolarHBondContact O-N 3.03Å; E62-K65 WeakPolarHBondContact O-CA 3.35Å; E62-K65 WeakPolarHBondContact O-CB 3.26Å; E62-K65 PolarHBondContact O-N 3.3Å; E62-K65 IonicContact OE1-NZ 3.19Å; E62-K65 PolarHBondContact OE1-NZ 3.05Å; E62-K65 WeakPolarHBondContact OE2-CD 3.43Å; E62-K65 IonicContact OE2-NZ 2.75Å; E62-K65 PolarHBondContact OE2-NZ 2.76Å; E62-E66 PolarHBondContact O-N 3.41Å
63	D	77.5	Confident	82.2	Confident	122 Å²	122	77.7 Å²	77.7	65%	0.652	38%	0.377	S	S	*	.	H	α-helix	trans	-48	-46.8	172.9	-50.3	7.6	0	0	0	111.7	E66 E67	D63-E66 PolarHBondContact O-N 2.91Å; D63-E67 WeakPolarHBondContact O-CB 3.32Å; D63-E67 PolarHBondContact O-N 2.97Å
64	C	81.3	Confident	81.8	Confident	0 Å²	0	79 Å²	79	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-66.2	-38.7	178.5	178.7	0	0	0	0	112.2	T15 I31 T61 E62 T68	T15-C64 PolarHBondContact O-SG 3.32Å; I31-C64 VanDerWaalsContact CD1-SG 3.51Å; T61-C64 WeakPolarHBondContact O-CB 3.48Å; T61-C64 PolarHBondContact O-N 3.48Å; T61-C64 WeakPolarHBondContact OG1-CB 3.32Å; T61-C64 PolarHBondContact OG1-N 3.35Å; E62-C64 PolarHBondContact O-N 3.03Å; C64-T68 VanDerWaalsContact O-CB 3.29Å; C64-T68 WeakPolarHBondContact O-CB 3.25Å; C64-T68 VanDerWaalsContact O-CG2 3.28Å; C64-T68 WeakPolarHBondContact O-CG2 3.36Å; C64-T68 PolarHBondContact O-N 2.88Å; C64-T68 PolarHBondContact O-OG1 3.35Å
65	K	81.4	Confident	81.5	Confident	76 Å²	76	74.8 Å²	74.8	33%	0.33	37%	0.371	S	S	.	.	H	α-helix	trans	-65.8	-42.6	176.5	-63.6	168.2	-161	167.3	0	111.5	L60 T61 E62 K69	L60-K65 HydrophobicContact CB-CD 4.49Å; L60-K65 HydrophobicContact CB-CG 3.94Å; L60-K65 HydrophobicContact CD1-CG 4.07Å; L60-K65 VanDerWaalsContact O-CE 3.3Å; L60-K65 WeakPolarHBondContact O-CE 3.47Å; T61-K65 WeakPolarHBondContact O-CG 3.39Å; T61-K65 PolarHBondContact O-N 3.26Å; T61-K65 VanDerWaalsContact O-N 3.15Å; E62-K65 WeakPolarHBondContact O-CA 3.35Å; E62-K65 WeakPolarHBondContact O-CB 3.26Å; E62-K65 PolarHBondContact O-N 3.3Å; E62-K65 IonicContact OE1-NZ 3.19Å; E62-K65 PolarHBondContact OE1-NZ 3.05Å; E62-K65 WeakPolarHBondContact OE2-CD 3.43Å; E62-K65 IonicContact OE2-NZ 2.75Å; E62-K65 PolarHBondContact OE2-NZ 2.76Å; K65-K69 WeakPolarHBondContact O-CA 3.38Å; K65-K69 PolarHBondContact O-N 3.32Å
66	E	77.9	Confident	81.2	Confident	155 Å²	155	77.4 Å²	77.4	72%	0.724	39%	0.389	S	S	*	.	H	α-helix	trans	-66.5	-44	179.5	-68.6	-169	178.3	0	0	112.3	E62 D63	E62-E66 PolarHBondContact O-N 3.41Å; D63-E66 PolarHBondContact O-N 2.91Å
67	E	76.7	Confident	81.3	Confident	62 Å²	62	77.1 Å²	77.1	29%	0.29	40%	0.395	S	S	.	.	H	α-helix	trans	-72.6	-42.1	-178.9	-176.2	163.5	-123.9	0	0	112.6	T19 D63 Y176	T19-E67 WeakPolarHBondContact CG2-OE2 3.43Å; T19-E67 PolarHBondContact OG1-OE2 3.34Å; D63-E67 WeakPolarHBondContact O-CB 3.32Å; D63-E67 PolarHBondContact O-N 2.97Å; E67-Y176 HydrophobicContact CG-CD1 3.98Å; E67-Y176 HydrophobicContact CG-CD2 4.15Å; E67-Y176 HydrophobicContact CG-CE1 4.44Å; E67-Y176 HydrophobicContact CG-CG 3.81Å; E67-Y176 VanDerWaalsContact OE1-CE2 3.23Å; E67-Y176 WeakPolarHBondContact OE1-CE2 3.41Å; E67-Y176 VanDerWaalsContact OE1-CZ 3.31Å
68	T	76.4	Confident	81.7	Confident	7 Å²	7	72.5 Å²	72.5	4%	0.043	38%	0.377	C	S	.	.	H	α-helix	trans	-91.5	-30.7	-173.4	68.5	0	0	0	0	114.5	I14 C64 I70	I14-T68 HydrophobicContact CD1-CG2 4.15Å; I14-T68 HydrophobicContact CG2-CG2 3.73Å; C64-T68 VanDerWaalsContact O-CB 3.29Å; C64-T68 WeakPolarHBondContact O-CB 3.25Å; C64-T68 VanDerWaalsContact O-CG2 3.28Å; C64-T68 WeakPolarHBondContact O-CG2 3.36Å; C64-T68 PolarHBondContact O-N 2.88Å; C64-T68 PolarHBondContact O-OG1 3.35Å; T68-I70 HydrophobicContact CG2-CD1 4.18Å; T68-I70 PolarHBondContact O-N 2.95Å; T68-I70 WeakPolarHBondContact OG1-CD1 3.47Å; T68-I70 WeakPolarHBondContact OG1-CG1 3.43Å
69	K	78.4	Confident	82.4	Confident	177 Å²	177	69.3 Å²	69.3	77%	0.77	36%	0.362	S	S	*	.			trans	56.3	27.9	-175.7	-55.5	176.1	-176.9	171.3	0	114.4	K65	K65-K69 WeakPolarHBondContact O-CA 3.38Å; K65-K69 PolarHBondContact O-N 3.32Å
70	I	79.1	Confident	83	Confident	26 Å²	26	69 Å²	69	13%	0.133	36%	0.36	C	S	.	.			trans	-79.2	138	177.2	-50.6	157.8	0	0	0	109.8	I31 L32 L52 T68 L75	I31-I70 HydrophobicContact CD1-CD1 3.73Å; I31-I70 HydrophobicContact CG1-CD1 4.32Å; L32-I70 HydrophobicContact CD1-CD1 3.5Å; L32-I70 HydrophobicContact CD1-CG1 4.09Å; L32-I70 HydrophobicContact CG-CD1 3.92Å; L52-I70 HydrophobicContact CD2-CG2 4.07Å; T68-I70 HydrophobicContact CG2-CD1 4.18Å; T68-I70 PolarHBondContact O-N 2.95Å; T68-I70 WeakPolarHBondContact OG1-CD1 3.47Å; T68-I70 WeakPolarHBondContact OG1-CG1 3.43Å; I70-L75 HydrophobicContact CB-CD1 4.22Å; I70-L75 HydrophobicContact CG2-CD1 3.67Å; I70-L75 HydrophobicContact CG2-CD2 4.33Å; I70-L75 HydrophobicContact CG2-CG 3.63Å
71	D	77.1	Confident	83.6	Confident	84 Å²	84	68.3 Å²	68.3	45%	0.449	36%	0.356	S	S	.	.			trans	-79.8	143	170.6	64.6	-62.4	0	0	0	111.7	E73 S74 L75	D71-E73 PolarHBondContact O-N 3.33Å; D71-S74 VanDerWaalsContact CG-OG 3.22Å; D71-S74 PolarHBondContact O-N 3.03Å; D71-S74 PolarHBondContact O-OG 3.41Å; D71-S74 VanDerWaalsContact OD1-CB 3.25Å; D71-S74 WeakPolarHBondContact OD1-CB 3.33Å; D71-S74 PolarHBondContact OD1-OG 3.09Å; D71-S74 VanDerWaalsContact OD2-CB 3.29Å; D71-S74 WeakPolarHBondContact OD2-CB 3.46Å; D71-S74 PolarHBondContact OD2-N 3.05Å; D71-S74 PolarHBondContact OD2-OG 2.89Å; D71-L75 PolarHBondContact O-N 2.86Å
72	V	80.2	Confident	84.1	Confident	78 Å²	78	69 Å²	69	47%	0.473	36%	0.359	S	S	.	.	H	α-helix	trans	-67.3	-23.3	-178.1	-176.1	0	0	0	0	111.8	L60 S76	L60-V72 HydrophobicContact CD1-CG2 4.33Å; V72-S76 WeakPolarHBondContact O-CB 3.39Å; V72-S76 PolarHBondContact O-N 2.86Å
73	E	81.4	Confident	84.8	Confident	158 Å²	158	68.6 Å²	68.6	74%	0.738	36%	0.357	S	S	*	.	H	α-helix	trans	-70.5	-48.3	179.8	-62.2	-171.5	173.8	0	0	111.7	D71 L75 S76 S77	D71-E73 PolarHBondContact O-N 3.33Å; E73-L75 VanDerWaalsContact C-N 3.32Å; E73-L75 PolarHBondContact O-N 3.06Å; E73-S76 WeakPolarHBondContact O-CB 3.45Å; E73-S76 PolarHBondContact O-N 2.89Å; E73-S76 VanDerWaalsContact O-N 3.09Å; E73-S76 PolarHBondContact O-OG 3.01Å; E73-S77 PolarHBondContact O-N 2.78Å; E73-S77 VanDerWaalsContact O-N 3.13Å; E73-S77 PolarHBondContact O-OG 3.45Å
74	S	84.9	Confident	85.7	Confident	27 Å²	27	62.8 Å²	62.8	19%	0.189	33%	0.326	C	S	.	.	H	α-helix	trans	-59.7	-42.2	175.2	70	0	0	0	0	111.7	D71 S76 S77 A78	D71-S74 VanDerWaalsContact CG-OG 3.22Å; D71-S74 PolarHBondContact O-N 3.03Å; D71-S74 PolarHBondContact O-OG 3.41Å; D71-S74 VanDerWaalsContact OD1-CB 3.25Å; D71-S74 WeakPolarHBondContact OD1-CB 3.33Å; D71-S74 PolarHBondContact OD1-OG 3.09Å; D71-S74 VanDerWaalsContact OD2-CB 3.29Å; D71-S74 WeakPolarHBondContact OD2-CB 3.46Å; D71-S74 PolarHBondContact OD2-N 3.05Å; D71-S74 PolarHBondContact OD2-OG 2.89Å; S74-S76 PolarHBondContact O-N 3.29Å; S74-S77 CarbonylContact O-C 3.53Å; S74-S77 PolarHBondContact O-N 2.92Å; S74-S77 PolarHBondContact O-OG 2.81Å; S74-A78 PolarHBondContact O-N 3.11Å
75	L	87.1	Confident	86.4	Confident	1 Å²	1	63 Å²	63	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-61.3	-41.9	172.5	-76.4	166.7	0	0	0	112.7	I31 L52 R54 L58 L60 I70 D71 E73 S77 A78	I31-L75 HydrophobicContact CB-CD2 3.84Å; I31-L75 HydrophobicContact CG2-CD2 4.3Å; L52-L75 HydrophobicContact CD2-CD2 3.78Å; L52-L75 HydrophobicContact CD2-CG 4.39Å; R54-L75 WeakPolarHBondContact CG-O 3.22Å; L58-L75 HydrophobicContact CD2-CB 4.15Å; L60-L75 HydrophobicContact CD1-CD1 3.89Å; L60-L75 HydrophobicContact CD2-CD1 4.1Å; L60-L75 HydrophobicContact CG-CD1 4.46Å; I70-L75 HydrophobicContact CB-CD1 4.22Å; I70-L75 HydrophobicContact CG2-CD1 3.67Å; I70-L75 HydrophobicContact CG2-CD2 4.33Å; I70-L75 HydrophobicContact CG2-CG 3.63Å; D71-L75 PolarHBondContact O-N 2.86Å; E73-L75 VanDerWaalsContact C-N 3.32Å; E73-L75 PolarHBondContact O-N 3.06Å; L75-S77 PolarHBondContact O-N 3.48Å; L75-A78 VanDerWaalsContact O-CB 3.26Å; L75-A78 WeakPolarHBondContact O-CB 3.49Å; L75-A78 PolarHBondContact O-N 3.04Å; L75-A78 VanDerWaalsContact O-N 3.14Å
76	S	86.9	Confident	87	Confident	59 Å²	59	66.9 Å²	66.9	41%	0.413	34%	0.339	S	S	.	.	H	α-helix	trans	-61.8	-31.7	178.3	79.9	0	0	0	0	113.1	R54 V72 E73 S74	R54-S76 WeakPolarHBondContact CD-O 3.38Å; V72-S76 WeakPolarHBondContact O-CB 3.39Å; V72-S76 PolarHBondContact O-N 2.86Å; E73-S76 WeakPolarHBondContact O-CB 3.45Å; E73-S76 PolarHBondContact O-N 2.89Å; E73-S76 VanDerWaalsContact O-N 3.09Å; E73-S76 PolarHBondContact O-OG 3.01Å; S74-S76 PolarHBondContact O-N 3.29Å
77	S	89.1	Confident	87.7	Confident	98 Å²	98	63.2 Å²	63.2	69%	0.685	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-3.4	178.3	69.8	0	0	0	0	114.6	E73 S74 L75	E73-S77 PolarHBondContact O-N 2.78Å; E73-S77 VanDerWaalsContact O-N 3.13Å; E73-S77 PolarHBondContact O-OG 3.45Å; S74-S77 CarbonylContact O-C 3.53Å; S74-S77 PolarHBondContact O-N 2.92Å; S74-S77 PolarHBondContact O-OG 2.81Å; L75-S77 PolarHBondContact O-N 3.48Å
78	A	92.6	Very high	88.6	Confident	17 Å²	17	60.2 Å²	60.2	14%	0.14	31%	0.308	C	S	.	.	S	Bend	trans	-70.4	166.3	-175.3	0	0	0	0	0	113.9	L52 R54 S74 L75	L52-A78 HydrophobicContact CB-CB 3.65Å; R54-A78 HydrophobicContact CB-CB 4.1Å; S74-A78 PolarHBondContact O-N 3.11Å; L75-A78 VanDerWaalsContact O-CB 3.26Å; L75-A78 WeakPolarHBondContact O-CB 3.49Å; L75-A78 PolarHBondContact O-N 3.04Å; L75-A78 VanDerWaalsContact O-N 3.14Å
79	S	93.5	Very high	89.4	Confident	18 Å²	18	62 Å²	62	13%	0.126	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-76.2	152	-179.4	75.4	0	0	0	0	112.4	L52 V53 R54	L52-S79 PolarHBondContact O-OG 2.8Å; V53-S79 CarbonylContact C-O 3.57Å; V53-S79 WeakPolarHBondContact CA-O 3.37Å; R54-S79 PolarHBondContact N-O 3.48Å
80	Q	94.6	Very high	90	Very high	109 Å²	109	59.4 Å²	59.4	51%	0.509	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-73.3	156.7	172.2	-69.2	-177.5	-14.9	0	0	111.3	D82 Q83 A84	Q80-D82 VanDerWaalsContact C-N 3.3Å; Q80-D82 PolarHBondContact O-N 3.08Å; Q80-D82 VanDerWaalsContact O-N 3.15Å; Q80-Q83 WeakPolarHBondContact O-CA 3.34Å; Q80-Q83 WeakPolarHBondContact O-CB 3.22Å; Q80-Q83 PolarHBondContact O-N 3.09Å; Q80-A84 PolarHBondContact O-N 2.9Å
81	L	95.3	Very high	90.6	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-49.4	-43.5	-176.7	-178.9	67.2	0	0	0	113.9	L30 V53 Q83 A84 L85 E121 A122 K125 V127	L30-L81 HydrophobicContact CD2-CD1 3.86Å; V53-L81 HydrophobicContact CG1-CB 4.19Å; V53-L81 HydrophobicContact CG1-CD1 4.26Å; L81-Q83 VanDerWaalsContact C-N 3.34Å; L81-Q83 PolarHBondContact O-N 2.81Å; L81-A84 PolarHBondContact O-N 3.48Å; L81-L85 HydrophobicContact CD1-CD1 4.15Å; L81-L85 HydrophobicContact CD1-CG 4.23Å; L81-L85 HydrophobicContact CG-CD1 3.92Å; L81-L85 HydrophobicContact CG-CG 4.41Å; L81-L85 WeakPolarHBondContact O-CB 3.42Å; L81-L85 VanDerWaalsContact O-CG 3.26Å; L81-L85 WeakPolarHBondContact O-CG 3.5Å; L81-L85 PolarHBondContact O-N 2.92Å; L81-E121 HydrophobicContact CD2-CB 4.33Å; L81-E121 HydrophobicContact CD2-CG 4.03Å; L81-A122 HydrophobicContact CD2-CB 4.25Å; L81-K125 HydrophobicContact CB-CD 4.24Å; L81-K125 HydrophobicContact CD2-CD 4.3Å; L81-V127 HydrophobicContact CD2-CG2 4.48Å
82	D	95.2	Very high	91.3	Very high	58 Å²	58	55.1 Å²	55.1	31%	0.31	29%	0.287	S	S	.	.	H	α-helix	trans	-59.8	-41	175.7	168.7	61.6	0	0	0	112.7	Q80 R86 V127	Q80-D82 VanDerWaalsContact C-N 3.3Å; Q80-D82 PolarHBondContact O-N 3.08Å; Q80-D82 VanDerWaalsContact O-N 3.15Å; D82-R86 VanDerWaalsContact CG-NE 3.28Å; D82-R86 VanDerWaalsContact O-CG 3.22Å; D82-R86 WeakPolarHBondContact O-CG 3.47Å; D82-R86 PolarHBondContact O-N 3.43Å; D82-R86 IonicContact OD1-CZ 2.75Å; D82-R86 VanDerWaalsContact OD1-CZ 3.32Å; D82-R86 IonicContact OD1-NE 2.65Å; D82-R86 PolarHBondContact OD1-NE 2.82Å; D82-R86 IonicContact OD1-NH2 2.88Å; D82-R86 PolarHBondContact OD1-NH2 3.28Å; D82-R86 IonicContact OD2-CZ 3.19Å; D82-R86 IonicContact OD2-NE 3.7Å; D82-R86 PolarHBondContact OD2-NE 2.97Å; D82-R86 VanDerWaalsContact OD2-NE 3.1Å; D82-R86 IonicContact OD2-NH2 3.1Å; D82-R86 PolarHBondContact OD2-NH2 3.47Å; D82-V127 HydrophobicContact CB-CG1 3.84Å; D82-V127 HydrophobicContact CB-CG2 4.02Å
83	Q	95.1	Very high	91.7	Very high	105 Å²	105	53.7 Å²	53.7	49%	0.491	28%	0.281	S	S	.	.	H	α-helix	trans	-71.9	-40.8	178.1	-173.6	176.8	11.1	0	0	111.6	Q80 L81 R86 Q87	Q80-Q83 WeakPolarHBondContact O-CA 3.34Å; Q80-Q83 WeakPolarHBondContact O-CB 3.22Å; Q80-Q83 PolarHBondContact O-N 3.09Å; L81-Q83 VanDerWaalsContact C-N 3.34Å; L81-Q83 PolarHBondContact O-N 2.81Å; Q83-R86 PolarHBondContact O-N 3.48Å; Q83-Q87 WeakPolarHBondContact O-CG 3.37Å; Q83-Q87 PolarHBondContact O-N 3.39Å
84	A	95.2	Very high	92.1	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-60.9	-44.2	173.8	0	0	0	0	0	111.9	V51 V53 Q80 L81 R86 Q87 F88	V51-A84 HydrophobicContact CG1-CB 3.81Å; V51-A84 HydrophobicContact CG2-CB 3.99Å; V53-A84 HydrophobicContact CG2-CB 3.77Å; Q80-A84 PolarHBondContact O-N 2.9Å; L81-A84 PolarHBondContact O-N 3.48Å; A84-R86 PolarHBondContact O-N 2.65Å; A84-Q87 PolarHBondContact O-N 2.99Å; A84-F88 PolarHBondContact O-N 3.08Å
85	L	95.4	Very high	92.2	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-64.7	-36.5	174.9	-71.1	169.6	0	0	0	112	L81 F88 N89 V127 L129 F133	L81-L85 HydrophobicContact CD1-CD1 4.15Å; L81-L85 HydrophobicContact CD1-CG 4.23Å; L81-L85 HydrophobicContact CG-CD1 3.92Å; L81-L85 HydrophobicContact CG-CG 4.41Å; L81-L85 WeakPolarHBondContact O-CB 3.42Å; L81-L85 VanDerWaalsContact O-CG 3.26Å; L81-L85 WeakPolarHBondContact O-CG 3.5Å; L81-L85 PolarHBondContact O-N 2.92Å; L85-F88 WeakPolarHBondContact O-CB 3.1Å; L85-F88 PolarHBondContact O-N 2.93Å; L85-N89 PolarHBondContact O-N 3.46Å; L85-N89 PolarHBondContact O-ND2 3.44Å; L85-V127 HydrophobicContact CD1-CG1 3.96Å; L85-L129 HydrophobicContact CD1-CD2 3.87Å; L85-L129 HydrophobicContact CD2-CD2 4.44Å; L85-F133 HydrophobicContact CD2-CE1 4.13Å; L85-F133 HydrophobicContact CD2-CE2 3.96Å; L85-F133 HydrophobicContact CD2-CZ 3.62Å
86	R	94	Very high	92.1	Very high	156 Å²	156	53.1 Å²	53.1	59%	0.589	28%	0.278	S	S	*	.	H	α-helix	trans	-64.3	-42.7	172.4	-71.5	167.5	-163.2	-146.1	9.4	112	D82 Q83 A84 N89 Q90	D82-R86 VanDerWaalsContact CG-NE 3.28Å; D82-R86 VanDerWaalsContact O-CG 3.22Å; D82-R86 WeakPolarHBondContact O-CG 3.47Å; D82-R86 PolarHBondContact O-N 3.43Å; D82-R86 IonicContact OD1-CZ 2.75Å; D82-R86 VanDerWaalsContact OD1-CZ 3.32Å; D82-R86 IonicContact OD1-NE 2.65Å; D82-R86 PolarHBondContact OD1-NE 2.82Å; D82-R86 IonicContact OD1-NH2 2.88Å; D82-R86 PolarHBondContact OD1-NH2 3.28Å; D82-R86 IonicContact OD2-CZ 3.19Å; D82-R86 IonicContact OD2-NE 3.7Å; D82-R86 PolarHBondContact OD2-NE 2.97Å; D82-R86 VanDerWaalsContact OD2-NE 3.1Å; D82-R86 IonicContact OD2-NH2 3.1Å; D82-R86 PolarHBondContact OD2-NH2 3.47Å; Q83-R86 PolarHBondContact O-N 3.48Å; A84-R86 PolarHBondContact O-N 2.65Å; R86-N89 PolarHBondContact O-N 3.06Å; R86-Q90 WeakPolarHBondContact O-CB 3.5Å; R86-Q90 PolarHBondContact O-N 3.15Å
87	Q	94.2	Very high	91.4	Very high	78 Å²	78	56.6 Å²	56.6	36%	0.364	29%	0.292	S	S	.	.	H	α-helix	trans	-61.8	-42.8	175.2	-72	176.9	4.6	0	0	111.8	Q83 A84 Q90 S91	Q83-Q87 WeakPolarHBondContact O-CG 3.37Å; Q83-Q87 PolarHBondContact O-N 3.39Å; A84-Q87 PolarHBondContact O-N 2.99Å; Q87-Q90 PolarHBondContact O-N 3.41Å; Q87-S91 WeakPolarHBondContact O-CB 3.48Å; Q87-S91 PolarHBondContact O-N 3.2Å
88	F	94.9	Very high	90.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-53.8	-54.6	171.7	167.9	-90.9	0	0	0	111.9	V9 L11 W35 A84 L85 Q90 S91 V92 L106 F133	V9-F88 HydrophobicContact CG1-CE2 3.76Å; V9-F88 HydrophobicContact CG1-CZ 3.88Å; L11-F88 HydrophobicContact CD1-CD2 4.2Å; L11-F88 HydrophobicContact CD1-CE2 3.79Å; W35-F88 HydrophobicContact CB-CD2 4.07Å; W35-F88 HydrophobicContact CB-CE2 3.81Å; W35-F88 AromaticContact CD1-CD2 3.88Å; W35-F88 AromaticContact CD1-CE2 3.91Å; W35-F88 AromaticContact CD2-CD2 3.54Å; W35-F88 HydrophobicContact CD2-CD2 3.54Å; W35-F88 HydrophobicContact CD2-CE2 4.17Å; W35-F88 AromaticContact CE2-CD2 3.85Å; W35-F88 HydrophobicContact CE3-CD2 4.01Å; W35-F88 AromaticContact CG-CD2 3.57Å; W35-F88 HydrophobicContact CG-CD2 3.57Å; W35-F88 AromaticContact CG-CE2 3.68Å; W35-F88 HydrophobicContact CG-CE2 3.68Å; W35-F88 HydrophobicContact CZ2-CB 4.38Å; A84-F88 PolarHBondContact O-N 3.08Å; L85-F88 WeakPolarHBondContact O-CB 3.1Å; L85-F88 PolarHBondContact O-N 2.93Å; F88-Q90 VanDerWaalsContact C-N 3.31Å; F88-Q90 PolarHBondContact O-N 2.75Å; F88-S91 PolarHBondContact O-N 3.43Å; F88-V92 HydrophobicContact CD2-CG2 4.3Å; F88-V92 HydrophobicContact CE1-CG2 4.33Å; F88-V92 HydrophobicContact CE2-CG2 3.89Å; F88-V92 HydrophobicContact CZ-CG2 3.91Å; F88-V92 WeakPolarHBondContact O-CG2 3.4Å; F88-V92 PolarHBondContact O-N 3.47Å; F88-L106 HydrophobicContact CE1-CD2 4.5Å; F88-L106 HydrophobicContact CZ-CD2 3.79Å; F88-F133 AromaticContact CD1-CE2 3.74Å; F88-F133 HydrophobicContact CD1-CE2 3.74Å; F88-F133 AromaticContact CD1-CZ 3.6Å; F88-F133 HydrophobicContact CD1-CZ 3.6Å; F88-F133 AromaticContact CE1-CE2 3.57Å; F88-F133 HydrophobicContact CE1-CE2 3.57Å; F88-F133 AromaticContact CE1-CZ 3.47Å; F88-F133 HydrophobicContact CE1-CZ 3.47Å; F88-F133 VanDerWaalsContact CE1-CZ 3.47Å; F88-F133 HydrophobicContact CG-CZ 4.25Å; F88-F133 HydrophobicContact CZ-CE2 4.45Å; F88-F133 HydrophobicContact CZ-CZ 4.01Å
89	N	92.5	Very high	88.4	Confident	43 Å²	43	56.7 Å²	56.7	23%	0.23	29%	0.292	C	S	.	.	H	α-helix	trans	-61.9	-39.4	-179.8	-71.9	-77.5	0	0	0	112.1	L85 R86 S93 P130	L85-N89 PolarHBondContact O-N 3.46Å; L85-N89 PolarHBondContact O-ND2 3.44Å; R86-N89 PolarHBondContact O-N 3.06Å; N89-S93 WeakPolarHBondContact O-CB 3.48Å; N89-S93 PolarHBondContact O-N 3.01Å; N89-S93 PolarHBondContact O-OG 3.38Å; N89-P130 WeakPolarHBondContact ND2-CG 3.46Å
90	Q	91.6	Very high	86.5	Confident	124 Å²	124	63.9 Å²	63.9	58%	0.579	34%	0.335	S	S	*	.	H	α-helix	trans	-67.7	-43.7	-179.8	-171.5	175.7	9.9	0	0	111.5	R86 Q87 F88 S93 N94	R86-Q90 WeakPolarHBondContact O-CB 3.5Å; R86-Q90 PolarHBondContact O-N 3.15Å; Q87-Q90 PolarHBondContact O-N 3.41Å; F88-Q90 VanDerWaalsContact C-N 3.31Å; F88-Q90 PolarHBondContact O-N 2.75Å; Q90-S93 PolarHBondContact O-N 2.99Å; Q90-N94 WeakPolarHBondContact O-CB 3.32Å; Q90-N94 PolarHBondContact O-N 2.9Å; Q90-N94 PolarHBondContact O-ND2 3.1Å; Q90-N94 PolarHBondContact O-OD1 2.88Å
91	S	92.4	Very high	85	Confident	19 Å²	19	62 Å²	62	13%	0.133	35%	0.345	C	S	.	.	H	α-helix	trans	-57.3	-55.5	173.4	160.8	0	0	0	0	111.2	W35 H49 Q87 F88 S93 N94 E95	W35-S91 PolarHBondContact NE1-OG 3.05Å; H49-S91 PolarHBondContact CE1-OG 3.35Å; H49-S91 PolarHBondContact ND1-OG 3.35Å; H49-S91 PolarHBondContact NE2-OG 3.14Å; Q87-S91 WeakPolarHBondContact O-CB 3.48Å; Q87-S91 PolarHBondContact O-N 3.2Å; F88-S91 PolarHBondContact O-N 3.43Å; S91-S93 VanDerWaalsContact C-N 3.32Å; S91-S93 PolarHBondContact O-N 2.87Å; S91-N94 PolarHBondContact O-N 3.05Å; S91-E95 PolarHBondContact O-N 2.94Å
92	V	91.8	Very high	84	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.006	36%	0.359	C	S	.	.	H	α-helix	trans	-59.8	-40.6	179.2	171.7	0	0	0	0	111.6	V9 F88 L96 F104	V9-V92 HydrophobicContact CG1-CG2 4.05Å; V9-V92 HydrophobicContact CG2-CG1 3.89Å; V9-V92 HydrophobicContact CG2-CG2 4.16Å; F88-V92 HydrophobicContact CD2-CG2 4.3Å; F88-V92 HydrophobicContact CE1-CG2 4.33Å; F88-V92 HydrophobicContact CE2-CG2 3.89Å; F88-V92 HydrophobicContact CZ-CG2 3.91Å; F88-V92 WeakPolarHBondContact O-CG2 3.4Å; F88-V92 PolarHBondContact O-N 3.47Å; V92-L96 HydrophobicContact CG1-CD1 3.61Å; V92-L96 HydrophobicContact CG1-CG 4.23Å; V92-L96 VanDerWaalsContact O-CB 3.27Å; V92-L96 WeakPolarHBondContact O-CB 3.27Å; V92-L96 VanDerWaalsContact O-CG 3.29Å; V92-L96 WeakPolarHBondContact O-CG 3.31Å; V92-L96 PolarHBondContact O-N 3Å; V92-F104 HydrophobicContact CG1-CD2 4.47Å; V92-F104 HydrophobicContact CG1-CE1 4.15Å; V92-F104 HydrophobicContact CG1-CE2 4.05Å; V92-F104 HydrophobicContact CG1-CZ 3.88Å
93	S	89.1	Confident	83.5	Confident	48 Å²	48	63.6 Å²	63.6	34%	0.336	36%	0.359	S	S	.	.	H	α-helix	trans	-67.3	-37.5	179.5	-58.6	0	0	0	0	113.1	N89 Q90 S91 N97 I98	N89-S93 WeakPolarHBondContact O-CB 3.48Å; N89-S93 PolarHBondContact O-N 3.01Å; N89-S93 PolarHBondContact O-OG 3.38Å; Q90-S93 PolarHBondContact O-N 2.99Å; S91-S93 VanDerWaalsContact C-N 3.32Å; S91-S93 PolarHBondContact O-N 2.87Å; S93-N97 PolarHBondContact O-N 3.47Å; S93-I98 PolarHBondContact O-N 3.02Å
94	N	88	Confident	83.3	Confident	105 Å²	105	61.2 Å²	61.2	56%	0.561	35%	0.347	S	S	*	.	H	α-helix	trans	-70.4	-44	176.9	-69.3	-14.1	0	0	0	111.5	Q90 S91 N97	Q90-N94 WeakPolarHBondContact O-CB 3.32Å; Q90-N94 PolarHBondContact O-N 2.9Å; Q90-N94 PolarHBondContact O-ND2 3.1Å; Q90-N94 PolarHBondContact O-OD1 2.88Å; S91-N94 PolarHBondContact O-N 3.05Å; N94-N97 PolarHBondContact O-N 3.44Å; N94-N97 PolarHBondContact O-ND2 2.75Å
95	E	88.3	Confident	83.3	Confident	58 Å²	58	61.7 Å²	61.7	27%	0.271	35%	0.35	S	S	.	.	H	α-helix	trans	-70	-44	-177.8	-171.8	165.3	-173.5	0	0	111.6	V37 G46 Q47 H49 S91 N97	V37-E95 HydrophobicContact CB-CG 4.36Å; V37-E95 HydrophobicContact CG2-CB 4.29Å; V37-E95 HydrophobicContact CG2-CG 4Å; V37-E95 WeakPolarHBondContact CG2-OE2 3.21Å; G46-E95 WeakPolarHBondContact CA-OE1 3.45Å; Q47-E95 PolarHBondContact N-OE1 3.24Å; H49-E95 IonicContact CD2-OE2 2.74Å; H49-E95 IonicContact CE1-OE2 3.41Å; H49-E95 IonicContact NE2-OE2 3.94Å; H49-E95 PolarHBondContact NE2-OE2 2.71Å; S91-E95 PolarHBondContact O-N 2.94Å; E95-N97 PolarHBondContact O-N 2.91Å; E95-N97 PolarHBondContact O-ND2 2.76Å
96	L	85	Confident	83.4	Confident	10 Å²	10	61.5 Å²	61.5	5%	0.052	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-11.3	175.6	-66.1	-179.4	0	0	0	114.2	Y7 V37 V92 I98 F104	Y7-L96 HydrophobicContact CD1-CD2 3.44Å; Y7-L96 VanDerWaalsContact CD1-CD2 3.44Å; Y7-L96 HydrophobicContact CD2-CD2 3.63Å; Y7-L96 HydrophobicContact CE1-CD2 3.92Å; Y7-L96 HydrophobicContact CE2-CD2 4.1Å; Y7-L96 HydrophobicContact CG-CD2 3.3Å; V37-L96 HydrophobicContact CG1-CD2 3.59Å; V37-L96 HydrophobicContact CG1-CG 4.48Å; V92-L96 HydrophobicContact CG1-CD1 3.61Å; V92-L96 HydrophobicContact CG1-CG 4.23Å; V92-L96 VanDerWaalsContact O-CB 3.27Å; V92-L96 WeakPolarHBondContact O-CB 3.27Å; V92-L96 VanDerWaalsContact O-CG 3.29Å; V92-L96 WeakPolarHBondContact O-CG 3.31Å; V92-L96 PolarHBondContact O-N 3Å; L96-I98 VanDerWaalsContact C-N 3.26Å; L96-I98 HydrophobicContact CB-CD1 4.38Å; L96-I98 HydrophobicContact CB-CG1 3.62Å; L96-I98 HydrophobicContact CD1-CD1 4.23Å; L96-I98 HydrophobicContact CD1-CG1 4.27Å; L96-I98 PolarHBondContact O-N 3.19Å; L96-F104 HydrophobicContact CD1-CB 3.85Å; L96-F104 HydrophobicContact CD1-CD1 3.5Å; L96-F104 VanDerWaalsContact CD1-CD1 3.5Å; L96-F104 HydrophobicContact CD1-CE1 4.15Å; L96-F104 HydrophobicContact CD1-CG 3.73Å
97	N	71.4	Confident	83.6	Confident	132 Å²	132	54 Å²	54	71%	0.706	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.4	47.9	-173.2	-70.8	-96.8	0	0	0	112.1	S93 N94 E95 G99	S93-N97 PolarHBondContact O-N 3.47Å; N94-N97 PolarHBondContact O-N 3.44Å; N94-N97 PolarHBondContact O-ND2 2.75Å; E95-N97 PolarHBondContact O-N 2.91Å; E95-N97 PolarHBondContact O-ND2 2.76Å; N97-G99 PolarHBondContact O-N 3.25Å
98	I	62.1	Low	83.8	Confident	76 Å²	76	50.3 Å²	50.3	39%	0.39	30%	0.304	S	S	.	.			trans	-53.8	102.1	-161.1	-59.7	-179.2	0	0	0	112	S93 L96 F104	S93-I98 PolarHBondContact O-N 3.02Å; L96-I98 VanDerWaalsContact C-N 3.26Å; L96-I98 HydrophobicContact CB-CD1 4.38Å; L96-I98 HydrophobicContact CB-CG1 3.62Å; L96-I98 HydrophobicContact CD1-CD1 4.23Å; L96-I98 HydrophobicContact CD1-CG1 4.27Å; L96-I98 PolarHBondContact O-N 3.19Å; I98-F104 HydrophobicContact CD1-CD1 4.4Å; I98-F104 HydrophobicContact CD1-CE1 3.97Å
99	G	57.3	Low	83.8	Confident	42 Å²	42	51 Å²	51	43%	0.433	31%	0.307	S	S	.	.			trans	-96.7	-178.8	173.9	0	0	0	0	0	111.7	N97 G101 T102	N97-G99 PolarHBondContact O-N 3.25Å; G99-G101 VanDerWaalsContact C-N 3.3Å; G99-G101 PolarHBondContact O-N 3.01Å; G99-T102 PolarHBondContact N-OG1 2.82Å; G99-T102 PolarHBondContact O-OG1 2.94Å
100	V	54.2	Low	83.9	Confident	168 Å²	168	49.2 Å²	49.2	100%	1.018	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	85.5	174.1	-174	0	0	0	0	109.5
101	G	61.3	Low	84	Confident	70 Å²	70	44.3 Å²	44.3	72%	0.722	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	150.9	-23.3	172.4	0	0	0	0	0	116	G99 S103	G99-G101 VanDerWaalsContact C-N 3.3Å; G99-G101 PolarHBondContact O-N 3.01Å; G101-S103 PolarHBondContact O-N 3.24Å
102	T	74.1	Confident	84.2	Confident	50 Å²	50	44.5 Å²	44.5	31%	0.307	28%	0.276	S	S	.	.			trans	-72.3	122.2	-178.5	48.1	0	0	0	0	111.6	Y7 G99	Y7-T102 HydrophobicContact CE2-CG2 4.45Å; G99-T102 PolarHBondContact N-OG1 2.82Å; G99-T102 PolarHBondContact O-OG1 2.94Å
103	S	85.1	Confident	84.4	Confident	44 Å²	44	44.8 Å²	44.8	31%	0.308	28%	0.277	S	S	.	.			trans	-110.1	137.2	179.3	68.9	0	0	0	0	112.2	P5 D6 Y7 G101	P5-S103 WeakPolarHBondContact CA-OG 3.13Å; D6-S103 PolarHBondContact N-O 2.97Å; D6-S103 PolarHBondContact N-OG 3.14Å; D6-S103 WeakPolarHBondContact OD2-CA 3.15Å; D6-S103 WeakPolarHBondContact OD2-CB 3.36Å; D6-S103 PolarHBondContact OD2-N 3.29Å; D6-S103 PolarHBondContact OD2-OG 2.87Å; Y7-S103 PolarHBondContact N-O 2.81Å; Y7-S103 VanDerWaalsContact N-O 3.14Å; G101-S103 PolarHBondContact O-N 3.24Å
104	F	92.4	Very high	84.8	Confident	55 Å²	55	42.5 Å²	42.5	24%	0.241	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	158.8	174.2	79.8	-90.2	0	0	0	112.2	Y7 V9 V92 L96 I98 L106 C132	Y7-F104 WeakPolarHBondContact O-CA 3.32Å; V9-F104 HydrophobicContact CB-CD2 4.43Å; V9-F104 HydrophobicContact CG2-CD2 3.61Å; V9-F104 HydrophobicContact CG2-CE2 4.03Å; V9-F104 HydrophobicContact CG2-CG 4.35Å; V92-F104 HydrophobicContact CG1-CD2 4.47Å; V92-F104 HydrophobicContact CG1-CE1 4.15Å; V92-F104 HydrophobicContact CG1-CE2 4.05Å; V92-F104 HydrophobicContact CG1-CZ 3.88Å; L96-F104 HydrophobicContact CD1-CB 3.85Å; L96-F104 HydrophobicContact CD1-CD1 3.5Å; L96-F104 VanDerWaalsContact CD1-CD1 3.5Å; L96-F104 HydrophobicContact CD1-CE1 4.15Å; L96-F104 HydrophobicContact CD1-CG 3.73Å; I98-F104 HydrophobicContact CD1-CD1 4.4Å; I98-F104 HydrophobicContact CD1-CE1 3.97Å; F104-L106 HydrophobicContact CE2-CD2 4.49Å; F104-C132 HydrophobicContact CE2-CB 3.76Å; F104-C132 HydrophobicContact CZ-CB 3.87Å
105	C	95.2	Very high	85.2	Confident	12 Å²	12	37.7 Å²	37.7	8%	0.081	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	153	172.9	-166.8	0	0	0	0	110	P5 Y7 L8 V9 S135 F137	P5-C105 HydrophobicContact CB-CB 4.2Å; P5-C105 HydrophobicContact CG-CB 4.15Å; Y7-C105 PolarHBondContact O-N 3.43Å; L8-C105 CarbonylContact C-O 3.52Å; L8-C105 WeakPolarHBondContact CA-O 3.5Å; L8-C105 HydrophobicContact CD2-CB 4.08Å; V9-C105 PolarHBondContact N-O 3.4Å; C105-S135 PolarHBondContact SG-O 3.2Å; C105-F137 HydrophobicContact CB-CD2 3.98Å; C105-F137 HydrophobicContact CB-CE2 3.78Å
106	L	97	Very high	85.6	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	151	172.7	-58.3	-176.6	0	0	0	110.4	V9 L11 F88 F104 C132 F133 F136 F137	V9-L106 HydrophobicContact CB-CD2 4.07Å; V9-L106 HydrophobicContact CG1-CD2 4.32Å; V9-L106 CarbonylContact O-C 3.59Å; V9-L106 WeakPolarHBondContact O-CA 3.42Å; L11-L106 HydrophobicContact CD2-CD1 4.13Å; F88-L106 HydrophobicContact CE1-CD2 4.5Å; F88-L106 HydrophobicContact CZ-CD2 3.79Å; F104-L106 HydrophobicContact CE2-CD2 4.49Å; L106-C132 VanDerWaalsContact CD1-O 3.32Å; L106-C132 WeakPolarHBondContact CD1-O 3.41Å; L106-C132 WeakPolarHBondContact CG-O 3.45Å; L106-F133 HydrophobicContact CD1-CB 4.45Å; L106-F133 HydrophobicContact CD1-CD1 3.67Å; L106-F133 HydrophobicContact CD1-CE1 4.02Å; L106-F133 HydrophobicContact CD1-CG 4.04Å; L106-F136 HydrophobicContact CB-CB 3.88Å; L106-F136 CarbonylContact O-C 3.55Å; L106-F136 VanDerWaalsContact O-CA 3.32Å; L106-F136 WeakPolarHBondContact O-CA 3.35Å; L106-F137 PolarHBondContact O-N 2.97Å
107	C	97.8	Very high	86	Confident	0 Å²	0	35 Å²	35	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	127.1	167.5	-169.9	0	0	0	0	109.8	L8 V9 V10 L11 F137 I188	L8-C107 HydrophobicContact CB-CB 4.38Å; L8-C107 HydrophobicContact CD1-CB 4.14Å; V9-C107 PolarHBondContact O-N 2.78Å; V10-C107 WeakPolarHBondContact CA-O 3.4Å; L11-C107 PolarHBondContact N-O 2.85Å; C107-F137 WeakPolarHBondContact CA-O 3.49Å; C107-F137 HydrophobicContact CB-CB 4.39Å; C107-F137 PolarHBondContact SG-O 3.34Å; C107-I188 HydrophobicContact CB-CD1 4.33Å
108	T	97.4	Very high	87.2	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	148.7	-174.2	55.1	0	0	0	0	111.5	L11 G110 H113 V114 F137 L139 M184	L11-T108 HydrophobicContact CB-CG2 4.05Å; L11-T108 HydrophobicContact CD2-CG2 4.33Å; T108-G110 WeakPolarHBondContact CB-O 3.47Å; T108-G110 PolarHBondContact O-N 3.08Å; T108-G110 PolarHBondContact OG1-O 2.9Å; T108-H113 HydrophobicContact CG2-CB 3.91Å; T108-V114 HydrophobicContact CG2-CG2 3.98Å; T108-F137 PolarHBondContact N-O 3.47Å; T108-L139 WeakPolarHBondContact O-CB 3.23Å; T108-L139 PolarHBondContact O-N 2.76Å; T108-M184 VanDerWaalsContact C-CE 3.44Å
109	D	95.1	Very high	88.9	Confident	14 Å²	14	25.4 Å²	25.4	8%	0.075	17%	0.171	C	C	.	.	S	Bend	trans	-70.8	102.6	168.2	177.8	46.1	0	0	0	108.7	F12 H113 R140 V158 M184	F12-D109 HydrophobicContact CD2-CB 4.5Å; D109-H113 PolarHBondContact O-CE1 2.74Å; D109-H113 PolarHBondContact O-ND1 3.06Å; D109-R140 WeakPolarHBondContact OD1-CG 3.49Å; D109-R140 IonicContact OD1-CZ 2.85Å; D109-R140 IonicContact OD1-NE 3.64Å; D109-R140 PolarHBondContact OD1-NE 3.24Å; D109-R140 IonicContact OD1-NH2 2.73Å; D109-R140 PolarHBondContact OD1-NH2 3.24Å; D109-R140 IonicContact OD2-CZ 2.99Å; D109-R140 IonicContact OD2-NE 3.32Å; D109-R140 IonicContact OD2-NH2 3.18Å; D109-R140 PolarHBondContact OD2-NH2 3.15Å; D109-V158 HydrophobicContact CB-CG2 3.89Å; D109-M184 HydrophobicContact CB-CE 4.13Å; D109-M184 HydrophobicContact CB-SD 3.85Å
110	G	94.6	Very high	90.7	Very high	6 Å²	6	24.9 Å²	24.9	6%	0.062	16%	0.16	C	C	.	.	S	Bend	trans	64.3	166.8	-168.3	0	0	0	0	0	113.9	T108 L112 D138	T108-G110 WeakPolarHBondContact CB-O 3.47Å; T108-G110 PolarHBondContact O-N 3.08Å; T108-G110 PolarHBondContact OG1-O 2.9Å; G110-L112 VanDerWaalsContact C-N 3.29Å; G110-L112 PolarHBondContact O-N 2.91Å; G110-D138 VanDerWaalsContact CA-OD2 3.29Å; G110-D138 WeakPolarHBondContact CA-OD2 3.3Å
111	Q	95.4	Very high	92.6	Very high	20 Å²	20	17.5 Å²	17.5	9%	0.093	12%	0.115	C	C	.	.	S	Bend	trans	-70	-13.7	173.8	71.3	-160.1	-54.4	0	0	115.7	H113 V114 R115 F136 D138 E277 L281	Q111-H113 PolarHBondContact O-N 2.9Å; Q111-V114 PolarHBondContact O-N 3Å; Q111-R115 HydrophobicContact CB-CG 4.17Å; Q111-R115 HydrophobicContact CG-CG 4.5Å; Q111-R115 WeakPolarHBondContact O-CB 3.42Å; Q111-R115 WeakPolarHBondContact O-CG 3.32Å; Q111-R115 PolarHBondContact O-N 3.23Å; Q111-F136 HydrophobicContact CB-CE2 3.88Å; Q111-F136 HydrophobicContact CB-CZ 3.85Å; Q111-D138 PolarHBondContact N-OD2 2.86Å; Q111-E277 VanDerWaalsContact NE2-CD 3.34Å; Q111-E277 PolarHBondContact NE2-OE1 3.32Å; Q111-L281 HydrophobicContact CG-CD1 3.99Å
112	L	96.3	Very high	94.2	Very high	24 Å²	24	14.2 Å²	14.2	13%	0.126	8%	0.081	C	C	.	.	H	α-helix	trans	-62.1	-40.7	-167.4	-59.9	-177.4	0	0	0	112.7	G20 L23 G110 V114 R115 Q116 I117 L281	G20-L112 WeakPolarHBondContact O-CD1 3.32Å; L23-L112 HydrophobicContact CB-CB 4.22Å; L23-L112 HydrophobicContact CB-CD1 4.01Å; L23-L112 HydrophobicContact CD2-CB 4.15Å; G110-L112 VanDerWaalsContact C-N 3.29Å; G110-L112 PolarHBondContact O-N 2.91Å; L112-V114 VanDerWaalsContact C-N 3.33Å; L112-V114 PolarHBondContact O-N 2.92Å; L112-R115 PolarHBondContact O-N 2.91Å; L112-Q116 HydrophobicContact CD2-CG 3.9Å; L112-Q116 WeakPolarHBondContact O-CA 3.32Å; L112-Q116 PolarHBondContact O-N 2.8Å; L112-I117 PolarHBondContact O-N 3.13Å; L112-L281 HydrophobicContact CD2-CD2 3.46Å; L112-L281 VanDerWaalsContact CD2-CD2 3.46Å
113	H	96.2	Very high	95.1	Very high	6 Å²	6	13.4 Å²	13.4	3%	0.028	8%	0.077	C	C	.	.	I	π-helix	trans	-49.7	-49.6	176	-71.2	103	0	0	0	112.9	F12 G13 T108 D109 Q111 L118	F12-H113 AromaticContact CD2-CE1 3.58Å; F12-H113 AromaticContact CD2-NE2 3.49Å; F12-H113 WeakPolarHBondContact CD2-NE2 3.46Å; F12-H113 AromaticContact CE2-CE1 3.68Å; F12-H113 AromaticContact CE2-NE2 3.69Å; F12-H113 AromaticContact CG-NE2 3.82Å; G13-H113 PolarHBondContact N-CD2 3.06Å; G13-H113 PolarHBondContact N-NE2 2.73Å; G13-H113 PolarHBondContact O-NE2 3.44Å; T108-H113 HydrophobicContact CG2-CB 3.91Å; D109-H113 PolarHBondContact O-CE1 2.74Å; D109-H113 PolarHBondContact O-ND1 3.06Å; Q111-H113 PolarHBondContact O-N 2.9Å; H113-L118 WeakPolarHBondContact O-CD1 3.31Å; H113-L118 WeakPolarHBondContact O-CG 3.43Å; H113-L118 PolarHBondContact O-N 2.78Å
114	V	96.6	Very high	95.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.085	C	C	.	.	I	π-helix	trans	-77.9	-51.4	177.8	-176.8	0	0	0	0	110.8	T108 Q111 L112 H119 F136 V206	T108-V114 HydrophobicContact CG2-CG2 3.98Å; Q111-V114 PolarHBondContact O-N 3Å; L112-V114 VanDerWaalsContact C-N 3.33Å; L112-V114 PolarHBondContact O-N 2.92Å; V114-H119 PolarHBondContact O-CD2 3.39Å; V114-H119 VanDerWaalsContact O-CD2 3.26Å; V114-H119 PolarHBondContact O-N 2.97Å; V114-F136 HydrophobicContact CB-CD1 4.06Å; V114-F136 HydrophobicContact CB-CE1 4.06Å; V114-F136 HydrophobicContact CB-CG 4.46Å; V114-F136 HydrophobicContact CB-CZ 4.46Å; V114-F136 HydrophobicContact CG1-CD1 3.9Å; V114-F136 HydrophobicContact CG1-CE1 3.97Å; V114-F136 HydrophobicContact CG2-CB 4.22Å; V114-F136 HydrophobicContact CG2-CD1 3.88Å; V114-F136 HydrophobicContact CG2-CD2 4.24Å; V114-F136 HydrophobicContact CG2-CE1 4.33Å; V114-F136 HydrophobicContact CG2-CG 3.85Å; V114-V206 HydrophobicContact CG1-CG2 3.89Å
115	R	96.6	Very high	95.5	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.015	8%	0.083	C	C	.	.	I	π-helix	trans	-79.3	-34.3	-165.5	-63.7	-165.2	-179.1	-75.2	-0	114.5	Q111 L112 P120 F136 E204 R205 G247 L248 H278 L281 R285	Q111-R115 HydrophobicContact CB-CG 4.17Å; Q111-R115 HydrophobicContact CG-CG 4.5Å; Q111-R115 WeakPolarHBondContact O-CB 3.42Å; Q111-R115 WeakPolarHBondContact O-CG 3.32Å; Q111-R115 PolarHBondContact O-N 3.23Å; L112-R115 PolarHBondContact O-N 2.91Å; R115-P120 WeakPolarHBondContact O-CD 3.26Å; R115-F136 HydrophobicContact CG-CZ 4.33Å; R115-E204 IonicContact CZ-OE2 3.73Å; R115-E204 IonicContact NE-OE2 3.99Å; R115-E204 PolarHBondContact NE-OE2 2.79Å; R115-E204 IonicContact NH2-OE2 3.46Å; R115-E204 PolarHBondContact NH2-OE2 3.38Å; R115-R205 PolarHBondContact NH1-O 3.26Å; R115-R205 PolarHBondContact NH2-O 2.87Å; R115-G247 WeakPolarHBondContact CG-O 3.33Å; R115-G247 PolarHBondContact NH1-O 3.45Å; R115-L248 HydrophobicContact CB-CD2 4.12Å; R115-H278 PolarHBondContact NE-NE2 3.2Å; R115-H278 PolarHBondContact NH2-NE2 3.5Å; R115-L281 HydrophobicContact CB-CD1 4.21Å; R115-R285 PolarHBondContact O-NH2 3.18Å
116	Q	95.6	Very high	95.4	Very high	7 Å²	7	22.1 Å²	22.1	3%	0.033	12%	0.115	C	C	.	.	I	π-helix	trans	-104.9	-28.4	-176.8	-59.6	-68.2	48.1	0	0	114.3	L23 L112 P120 L281 R285	L23-Q116 WeakPolarHBondContact O-CB 3.43Å; L112-Q116 HydrophobicContact CD2-CG 3.9Å; L112-Q116 WeakPolarHBondContact O-CA 3.32Å; L112-Q116 PolarHBondContact O-N 2.8Å; Q116-P120 VanDerWaalsContact O-CG 3.27Å; Q116-P120 WeakPolarHBondContact O-CG 3.49Å; Q116-L281 HydrophobicContact CG-CD2 4.36Å; Q116-L281 PolarHBondContact NE2-O 3.31Å; Q116-R285 VanDerWaalsContact OE1-CZ 3.3Å
117	I	95.2	Very high	95.3	Very high	5 Å²	5	23.2 Å²	23.2	3%	0.026	12%	0.122	C	C	.	.	I	π-helix	trans	-96.4	-72.3	176.4	-44.7	170.4	0	0	0	111.4	T15 L23 L30 L112 H119 P120 E121	T15-I117 HydrophobicContact CG2-CD1 3.76Å; T15-I117 HydrophobicContact CG2-CG1 3.9Å; T15-I117 HydrophobicContact CG2-CG2 4.06Å; L23-I117 HydrophobicContact CD1-CD1 3.9Å; L23-I117 HydrophobicContact CD2-CD1 3.82Å; L23-I117 HydrophobicContact CG-CD1 3.71Å; L23-I117 HydrophobicContact CG-CG1 4.14Å; L30-I117 HydrophobicContact CB-CG2 3.9Å; L30-I117 HydrophobicContact CD1-CD1 4.48Å; L30-I117 HydrophobicContact CD1-CG2 4.08Å; L30-I117 HydrophobicContact CG-CG2 4.5Å; L112-I117 PolarHBondContact O-N 3.13Å; I117-H119 PolarHBondContact O-N 2.97Å; I117-P120 WeakPolarHBondContact O-CD 3.47Å; I117-E121 WeakPolarHBondContact O-CB 3.44Å; I117-E121 PolarHBondContact O-N 2.87Å
118	L	96	Very high	95	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.021	16%	0.158	C	C	.	.	I	π-helix	trans	-65.2	-43	-161	-70.5	162.9	0	0	0	112.8	L11 L30 H113 A122 F133	L11-L118 HydrophobicContact CD2-CD1 3.89Å; L30-L118 HydrophobicContact CD2-CD2 3.95Å; H113-L118 WeakPolarHBondContact O-CD1 3.31Å; H113-L118 WeakPolarHBondContact O-CG 3.43Å; H113-L118 PolarHBondContact O-N 2.78Å; L118-A122 WeakPolarHBondContact O-CB 3.39Å; L118-A122 PolarHBondContact O-N 3.38Å; L118-A122 VanDerWaalsContact O-N 3.08Å; L118-F133 HydrophobicContact CD1-CD1 3.9Å; L118-F133 HydrophobicContact CD1-CE1 3.87Å
119	H	96.6	Very high	94.8	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.009	16%	0.162	C	C	.	.	H	α-helix	trans	-70.4	-45.6	178.5	-84.2	-100.4	0	0	0	113.9	V114 I117 S123 L129 F133 Y134 K246 G247	V114-H119 PolarHBondContact O-CD2 3.39Å; V114-H119 VanDerWaalsContact O-CD2 3.26Å; V114-H119 PolarHBondContact O-N 2.97Å; I117-H119 PolarHBondContact O-N 2.97Å; H119-S123 VanDerWaalsContact O-CB 3.32Å; H119-S123 WeakPolarHBondContact O-CB 3.26Å; H119-S123 PolarHBondContact O-N 2.95Å; H119-L129 HydrophobicContact CB-CD1 4.35Å; H119-F133 PolarHBondContact NE2-O 2.83Å; H119-Y134 AromaticContact CE1-CD1 3.64Å; H119-Y134 AromaticContact CE1-CE1 3.45Å; H119-Y134 VanDerWaalsContact CE1-CE1 3.45Å; H119-Y134 WeakPolarHBondContact CE1-CE1 3.37Å; H119-Y134 AromaticContact CE1-CZ 3.89Å; H119-K246 HydrophobicContact CB-CG 4.21Å; H119-G247 VanDerWaalsContact CB-CA 3.44Å
120	P	95.2	Very high	94.6	Very high	31 Å²	31	31.6 Å²	31.6	20%	0.201	17%	0.167	C	C	.	.	H	α-helix	trans	-60.9	-49.4	171.8	-31.5	40.9	0	0	0	113.9	R115 Q116 I117 S123 K124 K246 R285	R115-P120 WeakPolarHBondContact O-CD 3.26Å; Q116-P120 VanDerWaalsContact O-CG 3.27Å; Q116-P120 WeakPolarHBondContact O-CG 3.49Å; I117-P120 WeakPolarHBondContact O-CD 3.47Å; P120-S123 CarbonylContact O-C 3.56Å; P120-S123 PolarHBondContact O-N 3.05Å; P120-K124 WeakPolarHBondContact O-CB 3.49Å; P120-K124 PolarHBondContact O-N 2.74Å; P120-K246 WeakPolarHBondContact CG-O 3.16Å; P120-R285 VanDerWaalsContact CG-NH2 3.34Å
121	E	95.1	Very high	94.4	Very high	13 Å²	13	39.8 Å²	39.8	6%	0.061	20%	0.204	C	C	.	.	H	α-helix	trans	-67.9	-44.4	-174.7	-166.8	-172.5	140.7	0	0	111.9	L30 L81 I117 S123 K124 K125	L30-E121 WeakPolarHBondContact CB-OE2 3.45Å; L30-E121 PolarHBondContact N-OE2 2.69Å; L81-E121 HydrophobicContact CD2-CB 4.33Å; L81-E121 HydrophobicContact CD2-CG 4.03Å; I117-E121 WeakPolarHBondContact O-CB 3.44Å; I117-E121 PolarHBondContact O-N 2.87Å; E121-S123 PolarHBondContact O-N 3.38Å; E121-K124 PolarHBondContact O-N 2.69Å; E121-K125 HydrophobicContact CG-CD 4.05Å; E121-K125 HydrophobicContact CG-CG 4.46Å; E121-K125 PolarHBondContact O-N 3.26Å; E121-K125 WeakPolarHBondContact OE1-CE 3.49Å; E121-K125 IonicContact OE1-NZ 3.26Å; E121-K125 PolarHBondContact OE1-NZ 2.96Å
122	A	95.1	Very high	94.2	Very high	2 Å²	2	40 Å²	40	2%	0.017	21%	0.207	C	C	.	.	H	α-helix	trans	-59.6	-38.6	174.3	0	0	0	0	0	111.3	L81 L118 N126 V127 L129	L81-A122 HydrophobicContact CD2-CB 4.25Å; L118-A122 WeakPolarHBondContact O-CB 3.39Å; L118-A122 PolarHBondContact O-N 3.38Å; L118-A122 VanDerWaalsContact O-N 3.08Å; A122-N126 CarbonylContact O-C 3.58Å; A122-N126 WeakPolarHBondContact O-CA 3.45Å; A122-N126 PolarHBondContact O-N 2.97Å; A122-V127 HydrophobicContact CB-CB 4.19Å; A122-V127 PolarHBondContact O-N 3.23Å; A122-L129 HydrophobicContact CB-CD1 4.1Å; A122-L129 HydrophobicContact CB-CD2 3.99Å; A122-L129 HydrophobicContact CB-CG 3.67Å
123	S	93.3	Very high	94.2	Very high	33 Å²	33	38.9 Å²	38.9	23%	0.231	20%	0.201	C	C	.	.	H	α-helix	trans	-70.2	-27.8	174.5	-168.1	0	0	0	0	114	H119 P120 E121	H119-S123 VanDerWaalsContact O-CB 3.32Å; H119-S123 WeakPolarHBondContact O-CB 3.26Å; H119-S123 PolarHBondContact O-N 2.95Å; P120-S123 CarbonylContact O-C 3.56Å; P120-S123 PolarHBondContact O-N 3.05Å; E121-S123 PolarHBondContact O-N 3.38Å
124	K	92.3	Very high	94.1	Very high	106 Å²	106	40.1 Å²	40.1	46%	0.461	21%	0.206	S	C	.	.	H	α-helix	trans	-75.8	-41.8	175.8	-176.1	171.6	171.8	175.7	0	111	E27 P120 E121 N126	E27-K124 IonicContact OE1-NZ 3.33Å; E27-K124 PolarHBondContact OE1-NZ 3.14Å; P120-K124 WeakPolarHBondContact O-CB 3.49Å; P120-K124 PolarHBondContact O-N 2.74Å; E121-K124 PolarHBondContact O-N 2.69Å; K124-N126 VanDerWaalsContact C-N 3.35Å
125	K	93.1	Very high	94.1	Very high	45 Å²	45	41.3 Å²	41.3	20%	0.196	21%	0.214	C	C	.	.	H	α-helix	trans	-84.4	-0.7	177.5	-67.4	-178.9	174.5	168.8	0	114.3	E29 D56 L81 E121 V127	E29-K125 WeakPolarHBondContact OE1-CE 3.38Å; E29-K125 IonicContact OE1-NZ 2.69Å; E29-K125 PolarHBondContact OE1-NZ 3.18Å; D56-K125 WeakPolarHBondContact OD2-CE 3.34Å; L81-K125 HydrophobicContact CB-CD 4.24Å; L81-K125 HydrophobicContact CD2-CD 4.3Å; E121-K125 HydrophobicContact CG-CD 4.05Å; E121-K125 HydrophobicContact CG-CG 4.46Å; E121-K125 PolarHBondContact O-N 3.26Å; E121-K125 WeakPolarHBondContact OE1-CE 3.49Å; E121-K125 IonicContact OE1-NZ 3.26Å; E121-K125 PolarHBondContact OE1-NZ 2.96Å; K125-V127 HydrophobicContact CB-CG2 3.88Å; K125-V127 PolarHBondContact O-N 2.94Å
126	N	92.9	Very high	94.1	Very high	142 Å²	142	41.1 Å²	41.1	76%	0.759	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	30.9	-175.1	-59.3	-88.3	0	0	0	114.2	A122 K124	A122-N126 CarbonylContact O-C 3.58Å; A122-N126 WeakPolarHBondContact O-CA 3.45Å; A122-N126 PolarHBondContact O-N 2.97Å; K124-N126 VanDerWaalsContact C-N 3.35Å
127	V	94.4	Very high	94.2	Very high	24 Å²	24	41 Å²	41	15%	0.145	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-84.3	135.9	175.4	179.6	0	0	0	0	109.5	L81 D82 L85 A122 K125 L129	L81-V127 HydrophobicContact CD2-CG2 4.48Å; D82-V127 HydrophobicContact CB-CG1 3.84Å; D82-V127 HydrophobicContact CB-CG2 4.02Å; L85-V127 HydrophobicContact CD1-CG1 3.96Å; A122-V127 HydrophobicContact CB-CB 4.19Å; A122-V127 PolarHBondContact O-N 3.23Å; K125-V127 HydrophobicContact CB-CG2 3.88Å; K125-V127 PolarHBondContact O-N 2.94Å; V127-L129 PolarHBondContact O-N 2.86Å
128	L	91.9	Very high	94.3	Very high	145 Å²	145	41 Å²	41	76%	0.759	21%	0.213	S	C	*	.	P	Polyproline II helix	trans	-81.1	118.1	173.6	-66.3	177.4	0	0	0	109.8
129	L	93.3	Very high	94.3	Very high	15 Å²	15	40.9 Å²	40.9	8%	0.079	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-70.6	136.7	172.7	-79.3	174	0	0	0	110.9	L85 H119 A122 V127 F133 Y134	L85-L129 HydrophobicContact CD1-CD2 3.87Å; L85-L129 HydrophobicContact CD2-CD2 4.44Å; H119-L129 HydrophobicContact CB-CD1 4.35Å; A122-L129 HydrophobicContact CB-CD1 4.1Å; A122-L129 HydrophobicContact CB-CD2 3.99Å; A122-L129 HydrophobicContact CB-CG 3.67Å; V127-L129 PolarHBondContact O-N 2.86Å; L129-F133 HydrophobicContact CB-CB 4.28Å; L129-F133 HydrophobicContact CD1-CB 4.35Å; L129-F133 HydrophobicContact CD2-CB 4.18Å; L129-F133 HydrophobicContact CD2-CD1 4.47Å; L129-F133 HydrophobicContact CD2-CD2 4.43Å; L129-F133 HydrophobicContact CD2-CG 4.1Å; L129-Y134 HydrophobicContact CB-CE2 3.74Å
130	P	91.6	Very high	94.3	Very high	29 Å²	29	42.7 Å²	42.7	19%	0.188	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-61.4	154.3	168.8	-16.5	25.7	0	0	0	112.4	N89 C132 F133 Y134	N89-P130 WeakPolarHBondContact ND2-CG 3.46Å; P130-C132 VanDerWaalsContact C-N 3.27Å; P130-C132 PolarHBondContact O-N 3.25Å; P130-F133 HydrophobicContact CB-CD2 3.9Å; P130-F133 HydrophobicContact CB-CE2 4.2Å; P130-F133 HydrophobicContact CG-CD2 3.79Å; P130-F133 HydrophobicContact CG-CE2 3.79Å; P130-F133 PolarHBondContact O-N 2.85Å; P130-Y134 WeakPolarHBondContact O-CD2 3.48Å
131	E	89.9	Confident	94.3	Very high	179 Å²	179	43 Å²	43	84%	0.836	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-59.1	-33.8	-173.7	-171.7	169.6	-174.8	0	0	113.7	F133 Y134	E131-F133 PolarHBondContact O-N 2.94Å; E131-F133 VanDerWaalsContact O-N 3.14Å; E131-Y134 WeakPolarHBondContact O-CB 3.5Å; E131-Y134 PolarHBondContact O-N 2.97Å
132	C	91.6	Very high	94.4	Very high	24 Å²	24	42.6 Å²	42.6	16%	0.162	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-59.2	-25.7	176.6	58.1	0	0	0	0	113.6	F104 L106 P130 Y134 S135	F104-C132 HydrophobicContact CE2-CB 3.76Å; F104-C132 HydrophobicContact CZ-CB 3.87Å; L106-C132 VanDerWaalsContact CD1-O 3.32Å; L106-C132 WeakPolarHBondContact CD1-O 3.41Å; L106-C132 WeakPolarHBondContact CG-O 3.45Å; P130-C132 VanDerWaalsContact C-N 3.27Å; P130-C132 PolarHBondContact O-N 3.25Å; C132-Y134 PolarHBondContact O-N 3.04Å; C132-S135 PolarHBondContact O-N 3.31Å
133	F	95.1	Very high	94.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-76.9	-2.6	176.3	-67.2	-89.9	0	0	0	113.9	L11 L85 F88 L106 L118 H119 L129 P130 E131	L11-F133 HydrophobicContact CD2-CD1 4.39Å; L11-F133 HydrophobicContact CD2-CE1 3.73Å; L85-F133 HydrophobicContact CD2-CE1 4.13Å; L85-F133 HydrophobicContact CD2-CE2 3.96Å; L85-F133 HydrophobicContact CD2-CZ 3.62Å; F88-F133 AromaticContact CD1-CE2 3.74Å; F88-F133 HydrophobicContact CD1-CE2 3.74Å; F88-F133 AromaticContact CD1-CZ 3.6Å; F88-F133 HydrophobicContact CD1-CZ 3.6Å; F88-F133 AromaticContact CE1-CE2 3.57Å; F88-F133 HydrophobicContact CE1-CE2 3.57Å; F88-F133 AromaticContact CE1-CZ 3.47Å; F88-F133 HydrophobicContact CE1-CZ 3.47Å; F88-F133 VanDerWaalsContact CE1-CZ 3.47Å; F88-F133 HydrophobicContact CG-CZ 4.25Å; F88-F133 HydrophobicContact CZ-CE2 4.45Å; F88-F133 HydrophobicContact CZ-CZ 4.01Å; L106-F133 HydrophobicContact CD1-CB 4.45Å; L106-F133 HydrophobicContact CD1-CD1 3.67Å; L106-F133 HydrophobicContact CD1-CE1 4.02Å; L106-F133 HydrophobicContact CD1-CG 4.04Å; L118-F133 HydrophobicContact CD1-CD1 3.9Å; L118-F133 HydrophobicContact CD1-CE1 3.87Å; H119-F133 PolarHBondContact NE2-O 2.83Å; L129-F133 HydrophobicContact CB-CB 4.28Å; L129-F133 HydrophobicContact CD1-CB 4.35Å; L129-F133 HydrophobicContact CD2-CB 4.18Å; L129-F133 HydrophobicContact CD2-CD1 4.47Å; L129-F133 HydrophobicContact CD2-CD2 4.43Å; L129-F133 HydrophobicContact CD2-CG 4.1Å; P130-F133 HydrophobicContact CB-CD2 3.9Å; P130-F133 HydrophobicContact CB-CE2 4.2Å; P130-F133 HydrophobicContact CG-CD2 3.79Å; P130-F133 HydrophobicContact CG-CE2 3.79Å; P130-F133 PolarHBondContact O-N 2.85Å; E131-F133 PolarHBondContact O-N 2.94Å; E131-F133 VanDerWaalsContact O-N 3.14Å
134	Y	95.4	Very high	94.6	Very high	33 Å²	33	43.4 Å²	43.4	13%	0.129	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-96.5	-2.9	175.2	-65.1	-94.8	0	0	0	113.3	H119 L129 P130 E131 C132 R205 V206 Y208	H119-Y134 AromaticContact CE1-CD1 3.64Å; H119-Y134 AromaticContact CE1-CE1 3.45Å; H119-Y134 VanDerWaalsContact CE1-CE1 3.45Å; H119-Y134 WeakPolarHBondContact CE1-CE1 3.37Å; H119-Y134 AromaticContact CE1-CZ 3.89Å; L129-Y134 HydrophobicContact CB-CE2 3.74Å; P130-Y134 WeakPolarHBondContact O-CD2 3.48Å; E131-Y134 WeakPolarHBondContact O-CB 3.5Å; E131-Y134 PolarHBondContact O-N 2.97Å; C132-Y134 PolarHBondContact O-N 3.04Å; Y134-R205 CarbonylContact O-C 3.55Å; Y134-R205 VanDerWaalsContact O-CA 3.31Å; Y134-R205 WeakPolarHBondContact O-CA 3.41Å; Y134-V206 HydrophobicContact CD1-CB 4.27Å; Y134-V206 WeakPolarHBondContact CD1-O 3.28Å; Y134-V206 PolarHBondContact O-N 2.83Å; Y134-Y208 HydrophobicContact CD1-CD2 4.01Å; Y134-Y208 HydrophobicContact CD2-CD2 4.38Å; Y134-Y208 AromaticContact CE1-CD2 3.51Å; Y134-Y208 HydrophobicContact CE1-CD2 3.51Å; Y134-Y208 HydrophobicContact CE1-CE2 4.25Å; Y134-Y208 HydrophobicContact CE1-CG 4.33Å; Y134-Y208 AromaticContact CE2-CD2 3.9Å; Y134-Y208 HydrophobicContact CE2-CD2 3.9Å; Y134-Y208 HydrophobicContact CE2-CE2 4.05Å; Y134-Y208 HydrophobicContact CG-CD2 4.43Å; Y134-Y208 AromaticContact CZ-CD2 3.45Å; Y134-Y208 VanDerWaalsContact CZ-CD2 3.45Å; Y134-Y208 AromaticContact CZ-CE2 3.73Å
135	S	95.1	Very high	94.6	Very high	25 Å²	25	44.2 Å²	44.2	18%	0.175	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	132.6	170.9	-157.4	0	0	0	0	113.1	C105 C132 P203 E204	C105-S135 PolarHBondContact SG-O 3.2Å; C132-S135 PolarHBondContact O-N 3.31Å; S135-P203 WeakPolarHBondContact OG-CG 3.49Å; S135-E204 CarbonylContact C-O 3.49Å; S135-E204 WeakPolarHBondContact CA-O 3.4Å; S135-E204 WeakPolarHBondContact CB-O 3.48Å; S135-E204 PolarHBondContact OG-O 3Å
136	F	97.3	Very high	94.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	161	-172.5	68	-82.6	0	0	0	112	L106 Q111 V114 R115 D138 P203 E204 V206	L106-F136 HydrophobicContact CB-CB 3.88Å; L106-F136 CarbonylContact O-C 3.55Å; L106-F136 VanDerWaalsContact O-CA 3.32Å; L106-F136 WeakPolarHBondContact O-CA 3.35Å; Q111-F136 HydrophobicContact CB-CE2 3.88Å; Q111-F136 HydrophobicContact CB-CZ 3.85Å; V114-F136 HydrophobicContact CB-CD1 4.06Å; V114-F136 HydrophobicContact CB-CE1 4.06Å; V114-F136 HydrophobicContact CB-CG 4.46Å; V114-F136 HydrophobicContact CB-CZ 4.46Å; V114-F136 HydrophobicContact CG1-CD1 3.9Å; V114-F136 HydrophobicContact CG1-CE1 3.97Å; V114-F136 HydrophobicContact CG2-CB 4.22Å; V114-F136 HydrophobicContact CG2-CD1 3.88Å; V114-F136 HydrophobicContact CG2-CD2 4.24Å; V114-F136 HydrophobicContact CG2-CE1 4.33Å; V114-F136 HydrophobicContact CG2-CG 3.85Å; R115-F136 HydrophobicContact CG-CZ 4.33Å; F136-D138 HydrophobicContact CE2-CB 4.32Å; F136-P203 CarbonylContact O-C 3.56Å; F136-P203 WeakPolarHBondContact O-CB 3.4Å; F136-E204 HydrophobicContact CD1-CB 4.2Å; F136-E204 HydrophobicContact CD2-CB 4.43Å; F136-E204 HydrophobicContact CE1-CB 3.79Å; F136-E204 HydrophobicContact CE2-CB 4.02Å; F136-E204 HydrophobicContact CE2-CG 4.48Å; F136-E204 HydrophobicContact CZ-CB 3.68Å; F136-E204 HydrophobicContact CZ-CG 4.3Å; F136-E204 WeakPolarHBondContact CZ-OE2 3.37Å; F136-E204 PolarHBondContact N-O 2.75Å; F136-E204 WeakPolarHBondContact O-CB 3.44Å; F136-E204 PolarHBondContact O-N 3.34Å; F136-V206 HydrophobicContact CE1-CG2 4.18Å
137	F	97.7	Very high	94.6	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.013	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124.9	166.8	-70.9	-77.8	0	0	0	110.5	P5 L8 C105 L106 C107 T108 L139 E142 F200 P203	P5-F137 HydrophobicContact CG-CE2 4.08Å; L8-F137 HydrophobicContact CD2-CD2 3.68Å; L8-F137 HydrophobicContact CD2-CE2 4.03Å; C105-F137 HydrophobicContact CB-CD2 3.98Å; C105-F137 HydrophobicContact CB-CE2 3.78Å; L106-F137 PolarHBondContact O-N 2.97Å; C107-F137 WeakPolarHBondContact CA-O 3.49Å; C107-F137 HydrophobicContact CB-CB 4.39Å; C107-F137 PolarHBondContact SG-O 3.34Å; T108-F137 PolarHBondContact N-O 3.47Å; F137-L139 PolarHBondContact O-N 2.9Å; F137-E142 HydrophobicContact CB-CG 4.15Å; F137-E142 HydrophobicContact CD1-CG 3.94Å; F137-E142 HydrophobicContact CG-CG 4.45Å; F137-F200 HydrophobicContact CB-CD1 4.28Å; F137-F200 HydrophobicContact CD1-CB 4.4Å; F137-F200 HydrophobicContact CD1-CD1 4.02Å; F137-F200 HydrophobicContact CD2-CB 4.36Å; F137-F200 HydrophobicContact CD2-CD1 4.32Å; F137-F200 HydrophobicContact CE1-CB 4.02Å; F137-F200 HydrophobicContact CE1-CD1 4.46Å; F137-F200 HydrophobicContact CE2-CB 3.96Å; F137-F200 AromaticContact CG-CD1 3.94Å; F137-F200 HydrophobicContact CG-CD1 3.94Å; F137-F200 HydrophobicContact CZ-CB 3.77Å; F137-P203 HydrophobicContact CD1-CB 4.14Å; F137-P203 HydrophobicContact CD2-CB 4.11Å; F137-P203 HydrophobicContact CE1-CB 3.81Å; F137-P203 HydrophobicContact CE1-CG 4.5Å; F137-P203 HydrophobicContact CE2-CB 3.79Å; F137-P203 HydrophobicContact CE2-CG 4.32Å; F137-P203 HydrophobicContact CG-CB 4.29Å; F137-P203 HydrophobicContact CZ-CB 3.64Å; F137-P203 HydrophobicContact CZ-CG 4.02Å
138	D	96.9	Very high	94.5	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.037	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	110.2	166.8	-177.5	-44.5	0	0	0	108.5	G110 Q111 F136 R140 K141 E142	G110-D138 VanDerWaalsContact CA-OD2 3.29Å; G110-D138 WeakPolarHBondContact CA-OD2 3.3Å; Q111-D138 PolarHBondContact N-OD2 2.86Å; F136-D138 HydrophobicContact CE2-CB 4.32Å; D138-R140 PolarHBondContact O-N 3.44Å; D138-R140 VanDerWaalsContact OD1-CB 3.32Å; D138-R140 WeakPolarHBondContact OD1-CB 3.2Å; D138-R140 PolarHBondContact OD1-N 2.88Å; D138-K141 HydrophobicContact CB-CB 4.12Å; D138-K141 HydrophobicContact CB-CD 3.88Å; D138-K141 HydrophobicContact CB-CG 3.99Å; D138-K141 PolarHBondContact O-N 2.88Å; D138-K141 PolarHBondContact OD1-N 3.37Å; D138-K141 VanDerWaalsContact OD1-N 3.14Å; D138-K141 WeakPolarHBondContact OD2-CE 3.47Å; D138-E142 WeakPolarHBondContact O-CG 3.44Å; D138-E142 PolarHBondContact O-N 2.98Å
139	L	97.1	Very high	94.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.9	-31.9	-174.5	-175.2	60.2	0	0	0	112.3	T108 F137 E142 F143 M161 M184 I187 I188 M191	T108-L139 WeakPolarHBondContact O-CB 3.23Å; T108-L139 PolarHBondContact O-N 2.76Å; F137-L139 PolarHBondContact O-N 2.9Å; L139-E142 PolarHBondContact O-N 3.5Å; L139-F143 WeakPolarHBondContact O-CB 3.29Å; L139-F143 PolarHBondContact O-N 3.36Å; L139-M161 HydrophobicContact CD2-CE 4.06Å; L139-M161 HydrophobicContact CG-CE 4.08Å; L139-M161 HydrophobicContact CG-SD 4.19Å; L139-M184 HydrophobicContact CB-CE 4.35Å; L139-M184 HydrophobicContact CD2-CB 3.98Å; L139-M184 HydrophobicContact CD2-CE 3.77Å; L139-M184 HydrophobicContact CD2-CG 3.71Å; L139-I187 HydrophobicContact CD1-CG2 4.23Å; L139-I187 HydrophobicContact CD2-CG2 4.28Å; L139-I187 HydrophobicContact CG-CG2 4.48Å; L139-I188 HydrophobicContact CD1-CD1 4.32Å; L139-I188 HydrophobicContact CD1-CG1 3.73Å; L139-M191 HydrophobicContact CD1-CE 4.5Å; L139-M191 HydrophobicContact CD1-SD 3.88Å
140	R	96	Very high	94.3	Very high	40 Å²	40	35.7 Å²	35.7	15%	0.151	20%	0.197	C	C	.	.	H	α-helix	trans	-69.4	-41.7	-179.9	-55.4	169	176.2	-136.2	3.9	110.1	D109 D138 K144 I153 L156 M161	D109-R140 WeakPolarHBondContact OD1-CG 3.49Å; D109-R140 IonicContact OD1-CZ 2.85Å; D109-R140 IonicContact OD1-NE 3.64Å; D109-R140 PolarHBondContact OD1-NE 3.24Å; D109-R140 IonicContact OD1-NH2 2.73Å; D109-R140 PolarHBondContact OD1-NH2 3.24Å; D109-R140 IonicContact OD2-CZ 2.99Å; D109-R140 IonicContact OD2-NE 3.32Å; D109-R140 IonicContact OD2-NH2 3.18Å; D109-R140 PolarHBondContact OD2-NH2 3.15Å; D138-R140 PolarHBondContact O-N 3.44Å; D138-R140 VanDerWaalsContact OD1-CB 3.32Å; D138-R140 WeakPolarHBondContact OD1-CB 3.2Å; D138-R140 PolarHBondContact OD1-N 2.88Å; R140-K144 WeakPolarHBondContact O-CB 3.42Å; R140-K144 PolarHBondContact O-N 3.22Å; R140-I153 HydrophobicContact CB-CG2 4.4Å; R140-L156 HydrophobicContact CB-CD2 4.19Å; R140-L156 WeakPolarHBondContact CD-O 3.06Å; R140-L156 VanDerWaalsContact CG-O 3.3Å; R140-L156 WeakPolarHBondContact CG-O 3.38Å; R140-L156 PolarHBondContact NE-O 3.38Å; R140-L156 PolarHBondContact NH1-O 3.3Å; R140-L156 VanDerWaalsContact O-CD2 3.32Å; R140-L156 WeakPolarHBondContact O-CD2 3.04Å; R140-M161 HydrophobicContact CG-CE 4.15Å
141	K	95.8	Very high	94.3	Very high	38 Å²	38	36.9 Å²	36.9	17%	0.165	20%	0.204	C	C	.	.	H	α-helix	trans	-67.4	-43.3	175.2	-62.4	-179.9	-167.4	175.9	0	111.6	D138 K144 K145 E204 E277	D138-K141 HydrophobicContact CB-CB 4.12Å; D138-K141 HydrophobicContact CB-CD 3.88Å; D138-K141 HydrophobicContact CB-CG 3.99Å; D138-K141 PolarHBondContact O-N 2.88Å; D138-K141 PolarHBondContact OD1-N 3.37Å; D138-K141 VanDerWaalsContact OD1-N 3.14Å; D138-K141 WeakPolarHBondContact OD2-CE 3.47Å; K141-K144 PolarHBondContact O-N 3.43Å; K141-K145 WeakPolarHBondContact O-CG 3.45Å; K141-K145 PolarHBondContact O-N 3.37Å; K141-E204 WeakPolarHBondContact CD-OE1 3.17Å; K141-E204 WeakPolarHBondContact CE-OE1 3.32Å; K141-E204 IonicContact NZ-OE1 2.72Å; K141-E204 PolarHBondContact NZ-OE1 2.84Å; K141-E277 WeakPolarHBondContact CE-OE1 3.26Å; K141-E277 IonicContact NZ-OE1 2.71Å; K141-E277 PolarHBondContact NZ-OE1 2.97Å; K141-E277 IonicContact NZ-OE2 2.95Å; K141-E277 PolarHBondContact NZ-OE2 3.21Å
142	E	96.4	Very high	94.4	Very high	5 Å²	5	32.2 Å²	32.2	2%	0.023	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-41.7	176.5	-66.8	-61	107.2	0	0	112	F137 D138 L139 K145 C146 M191 H198 F200	F137-E142 HydrophobicContact CB-CG 4.15Å; F137-E142 HydrophobicContact CD1-CG 3.94Å; F137-E142 HydrophobicContact CG-CG 4.45Å; D138-E142 WeakPolarHBondContact O-CG 3.44Å; D138-E142 PolarHBondContact O-N 2.98Å; L139-E142 PolarHBondContact O-N 3.5Å; E142-K145 WeakPolarHBondContact O-CB 3.42Å; E142-K145 PolarHBondContact O-N 3.05Å; E142-K145 WeakPolarHBondContact OE1-CD 3.45Å; E142-K145 WeakPolarHBondContact OE1-CE 3.44Å; E142-K145 IonicContact OE1-NZ 3.97Å; E142-K145 PolarHBondContact OE1-NZ 3.25Å; E142-C146 WeakPolarHBondContact O-CB 3.44Å; E142-C146 PolarHBondContact O-N 2.93Å; E142-M191 HydrophobicContact CB-CE 3.83Å; E142-H198 IonicContact OE2-CD2 2.76Å; E142-H198 IonicContact OE2-CE1 2.63Å; E142-H198 PolarHBondContact OE2-CE1 3.21Å; E142-H198 IonicContact OE2-NE2 2.67Å; E142-H198 PolarHBondContact OE2-NE2 3.07Å; E142-F200 HydrophobicContact CB-CD1 4.27Å; E142-F200 HydrophobicContact CB-CE1 3.78Å; E142-F200 HydrophobicContact CG-CD1 3.82Å; E142-F200 HydrophobicContact CG-CE1 3.79Å
143	F	96.4	Very high	94.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.3	-40.1	174.6	-169.7	-84.3	0	0	0	111.7	L139 K145 C146 C147 L156 M161 Y164 L165 I187 M191	L139-F143 WeakPolarHBondContact O-CB 3.29Å; L139-F143 PolarHBondContact O-N 3.36Å; F143-K145 VanDerWaalsContact C-N 3.32Å; F143-K145 PolarHBondContact O-N 3.26Å; F143-C146 WeakPolarHBondContact O-CB 3.31Å; F143-C146 PolarHBondContact O-N 3.18Å; F143-C147 HydrophobicContact CD1-CB 4.02Å; F143-C147 HydrophobicContact CE1-CB 3.8Å; F143-C147 HydrophobicContact CZ-CB 4.31Å; F143-C147 WeakPolarHBondContact O-CA 3.29Å; F143-C147 WeakPolarHBondContact O-CB 3.25Å; F143-C147 PolarHBondContact O-N 3.24Å; F143-L156 HydrophobicContact CB-CD2 4.22Å; F143-L156 HydrophobicContact CD1-CD1 4.08Å; F143-L156 HydrophobicContact CD1-CD2 3.85Å; F143-L156 HydrophobicContact CE1-CD1 4.21Å; F143-L156 HydrophobicContact CG-CD2 4.41Å; F143-M161 HydrophobicContact CB-CG 4.31Å; F143-M161 HydrophobicContact CB-SD 3.49Å; F143-M161 WeakPolarHBondContact CB-SD 3.47Å; F143-M161 HydrophobicContact CD1-CG 3.83Å; F143-M161 HydrophobicContact CD1-SD 4.17Å; F143-M161 HydrophobicContact CD2-CB 4.2Å; F143-M161 HydrophobicContact CD2-CG 3.85Å; F143-M161 HydrophobicContact CD2-SD 3.74Å; F143-M161 HydrophobicContact CE1-CG 3.99Å; F143-M161 HydrophobicContact CE2-CB 3.96Å; F143-M161 HydrophobicContact CE2-CG 4.01Å; F143-M161 HydrophobicContact CE2-SD 4.46Å; F143-M161 HydrophobicContact CG-CG 3.74Å; F143-M161 HydrophobicContact CG-SD 3.55Å; F143-M161 VanDerWaalsContact CG-SD 3.55Å; F143-M161 HydrophobicContact CZ-CB 4.11Å; F143-M161 HydrophobicContact CZ-CG 4.07Å; F143-Y164 AromaticContact CE1-CD1 3.97Å; F143-Y164 HydrophobicContact CE1-CD1 3.97Å; F143-Y164 HydrophobicContact CE1-CE1 4.49Å; F143-Y164 HydrophobicContact CE1-CG 4.31Å; F143-Y164 AromaticContact CZ-CD1 3.66Å; F143-Y164 HydrophobicContact CZ-CD1 3.66Å; F143-Y164 HydrophobicContact CZ-CE1 4.42Å; F143-Y164 HydrophobicContact CZ-CG 4.19Å; F143-L165 HydrophobicContact CE2-CD1 4Å; F143-L165 HydrophobicContact CE2-CD2 4.22Å; F143-L165 HydrophobicContact CE2-CG 3.95Å; F143-L165 HydrophobicContact CZ-CD2 4.42Å; F143-L165 HydrophobicContact CZ-CG 4.19Å; F143-I187 HydrophobicContact CD2-CG2 3.75Å; F143-I187 HydrophobicContact CE2-CG2 4.07Å; F143-M191 HydrophobicContact CB-CE 4.43Å; F143-M191 HydrophobicContact CB-SD 4.22Å; F143-M191 HydrophobicContact CD2-CG 4.18Å; F143-M191 HydrophobicContact CD2-SD 3.85Å
144	K	95.6	Very high	94	Very high	51 Å²	51	40.5 Å²	40.5	22%	0.222	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-31.6	175.8	-171.7	60.5	170.7	178	0	113.1	R140 K141 P148 S150 P151 I153 L156	R140-K144 WeakPolarHBondContact O-CB 3.42Å; R140-K144 PolarHBondContact O-N 3.22Å; K141-K144 PolarHBondContact O-N 3.43Å; K144-P148 PolarHBondContact NZ-O 3.22Å; K144-S150 WeakPolarHBondContact CD-OG 3.32Å; K144-S150 PolarHBondContact NZ-O 2.76Å; K144-P151 WeakPolarHBondContact CE-O 3.44Å; K144-P151 PolarHBondContact NZ-O 3.02Å; K144-I153 HydrophobicContact CB-CD1 4.36Å; K144-I153 HydrophobicContact CB-CG1 4.02Å; K144-I153 HydrophobicContact CG-CD1 4.19Å; K144-I153 HydrophobicContact CG-CG1 3.91Å; K144-L156 HydrophobicContact CB-CD2 4.48Å
145	K	94.1	Very high	93.8	Very high	124 Å²	124	44.7 Å²	44.7	54%	0.539	25%	0.246	S	C	.	.	H	α-helix	trans	-66.1	-45.4	169.9	-68.3	169.8	-175.1	175.3	0	111.3	K141 E142 F143	K141-K145 WeakPolarHBondContact O-CG 3.45Å; K141-K145 PolarHBondContact O-N 3.37Å; E142-K145 WeakPolarHBondContact O-CB 3.42Å; E142-K145 PolarHBondContact O-N 3.05Å; E142-K145 WeakPolarHBondContact OE1-CD 3.45Å; E142-K145 WeakPolarHBondContact OE1-CE 3.44Å; E142-K145 IonicContact OE1-NZ 3.97Å; E142-K145 PolarHBondContact OE1-NZ 3.25Å; F143-K145 VanDerWaalsContact C-N 3.32Å; F143-K145 PolarHBondContact O-N 3.26Å
146	C	93	Very high	93.6	Very high	21 Å²	21	43.5 Å²	43.5	14%	0.142	24%	0.238	C	C	.	.	H	α-helix	trans	-68.4	-38.8	-179.2	177.6	0	0	0	0	113.3	E142 F143 M191 H198	E142-C146 WeakPolarHBondContact O-CB 3.44Å; E142-C146 PolarHBondContact O-N 2.93Å; F143-C146 WeakPolarHBondContact O-CB 3.31Å; F143-C146 PolarHBondContact O-N 3.18Å; C146-M191 HydrophobicContact CB-CE 3.97Å; C146-M191 HydrophobicContact CB-CG 4.49Å; C146-H198 HydrophobicContact CB-CB 4.19Å
147	C	92.9	Very high	93.4	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.02	25%	0.254	C	S	.	.			trans	-127	73.6	-172.5	-60.4	0	0	0	0	110.4	F143 G149 S150 Y164 Y196	F143-C147 HydrophobicContact CD1-CB 4.02Å; F143-C147 HydrophobicContact CE1-CB 3.8Å; F143-C147 HydrophobicContact CZ-CB 4.31Å; F143-C147 WeakPolarHBondContact O-CA 3.29Å; F143-C147 WeakPolarHBondContact O-CB 3.25Å; F143-C147 PolarHBondContact O-N 3.24Å; C147-G149 PolarHBondContact O-N 2.77Å; C147-S150 VanDerWaalsContact O-CB 3.26Å; C147-S150 WeakPolarHBondContact O-CB 3.4Å; C147-S150 PolarHBondContact O-N 3.45Å; C147-S150 PolarHBondContact O-OG 2.89Å; C147-Y164 HydrophobicContact CB-CE1 3.88Å; C147-Y196 WeakPolarHBondContact SG-CE1 3.42Å
148	P	90.6	Very high	93.2	Very high	95 Å²	95	46.5 Å²	46.5	62%	0.617	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.8	-174	-28.6	36.3	0	0	0	114.5	K144 S150	K144-P148 PolarHBondContact NZ-O 3.22Å; P148-S150 VanDerWaalsContact C-N 3.28Å; P148-S150 PolarHBondContact O-N 3.47Å
149	G	89.9	Confident	92.9	Very high	62 Å²	62	48.2 Å²	48.2	64%	0.639	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	8.7	176	0	0	0	0	0	116	C147	C147-G149 PolarHBondContact O-N 2.77Å
150	S	92	Very high	92.7	Very high	11 Å²	11	49.2 Å²	49.2	8%	0.077	28%	0.277	C	S	.	.	S	Bend	trans	-68.3	172.8	168.6	78.2	0	0	0	0	111.5	K144 C147 P148	K144-S150 WeakPolarHBondContact CD-OG 3.32Å; K144-S150 PolarHBondContact NZ-O 2.76Å; C147-S150 VanDerWaalsContact O-CB 3.26Å; C147-S150 WeakPolarHBondContact O-CB 3.4Å; C147-S150 PolarHBondContact O-N 3.45Å; C147-S150 PolarHBondContact O-OG 2.89Å; P148-S150 VanDerWaalsContact C-N 3.28Å; P148-S150 PolarHBondContact O-N 3.47Å
151	P	92.1	Very high	92.7	Very high	53 Å²	53	47.3 Å²	47.3	34%	0.344	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-52.6	169.8	164.2	-27.3	36.5	0	0	0	114.1	K144 K155	K144-P151 WeakPolarHBondContact CE-O 3.44Å; K144-P151 PolarHBondContact NZ-O 3.02Å; P151-K155 HydrophobicContact CB-CB 4.23Å
152	D	92.1	Very high	92.6	Very high	82 Å²	82	45.9 Å²	45.9	44%	0.439	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-67.5	154.8	170.4	-53.5	-53.6	0	0	0	111.3	D154 K155 L156	D152-D154 WeakPolarHBondContact CB-OD1 3.14Å; D152-D154 PolarHBondContact O-N 3.32Å; D152-K155 HydrophobicContact CB-CD 4.33Å; D152-K155 PolarHBondContact O-N 3.35Å; D152-K155 IonicContact OD2-NZ 3.9Å; D152-K155 PolarHBondContact OD2-NZ 2.88Å; D152-L156 WeakPolarHBondContact O-CB 3.37Å; D152-L156 PolarHBondContact O-N 2.91Å; D152-L156 VanDerWaalsContact O-N 3.12Å
153	I	90.4	Very high	92.4	Very high	75 Å²	75	52.6 Å²	52.6	39%	0.385	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-63.2	-29.6	-170.3	-62.3	169.1	0	0	0	112.4	R140 K144 K155 L156	R140-I153 HydrophobicContact CB-CG2 4.4Å; K144-I153 HydrophobicContact CB-CD1 4.36Å; K144-I153 HydrophobicContact CB-CG1 4.02Å; K144-I153 HydrophobicContact CG-CD1 4.19Å; K144-I153 HydrophobicContact CG-CG1 3.91Å; I153-K155 VanDerWaalsContact C-N 3.27Å; I153-K155 PolarHBondContact O-N 3.37Å; I153-L156 PolarHBondContact O-N 3.27Å
154	D	87.6	Confident	92.2	Very high	123 Å²	123	56.8 Å²	56.8	66%	0.658	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-68.4	-23.2	175.6	62.3	-55.4	0	0	0	113.6	D152	D152-D154 WeakPolarHBondContact CB-OD1 3.14Å; D152-D154 PolarHBondContact O-N 3.32Å
155	K	90.1	Very high	92	Very high	120 Å²	120	55.6 Å²	55.6	52%	0.522	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-105.5	-3.4	179.8	-61	153.2	-157.5	158.4	0	112.6	P151 D152 I153	P151-K155 HydrophobicContact CB-CB 4.23Å; D152-K155 HydrophobicContact CB-CD 4.33Å; D152-K155 PolarHBondContact O-N 3.35Å; D152-K155 IonicContact OD2-NZ 3.9Å; D152-K155 PolarHBondContact OD2-NZ 2.88Å; I153-K155 VanDerWaalsContact C-N 3.27Å; I153-K155 PolarHBondContact O-N 3.37Å
156	L	92.3	Very high	91.8	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.319	C	S	.	.			trans	-94.9	110.5	-176	-167.8	70.3	0	0	0	109.3	R140 F143 K144 D152 I153 A160 M161	R140-L156 HydrophobicContact CB-CD2 4.19Å; R140-L156 WeakPolarHBondContact CD-O 3.06Å; R140-L156 VanDerWaalsContact CG-O 3.3Å; R140-L156 WeakPolarHBondContact CG-O 3.38Å; R140-L156 PolarHBondContact NE-O 3.38Å; R140-L156 PolarHBondContact NH1-O 3.3Å; R140-L156 VanDerWaalsContact O-CD2 3.32Å; R140-L156 WeakPolarHBondContact O-CD2 3.04Å; F143-L156 HydrophobicContact CB-CD2 4.22Å; F143-L156 HydrophobicContact CD1-CD1 4.08Å; F143-L156 HydrophobicContact CD1-CD2 3.85Å; F143-L156 HydrophobicContact CE1-CD1 4.21Å; F143-L156 HydrophobicContact CG-CD2 4.41Å; K144-L156 HydrophobicContact CB-CD2 4.48Å; D152-L156 WeakPolarHBondContact O-CB 3.37Å; D152-L156 PolarHBondContact O-N 2.91Å; D152-L156 VanDerWaalsContact O-N 3.12Å; I153-L156 PolarHBondContact O-N 3.27Å; L156-A160 HydrophobicContact CD1-CB 4.34Å; L156-M161 HydrophobicContact CD1-CG 3.57Å; L156-M161 HydrophobicContact CD2-CG 4.27Å; L156-M161 HydrophobicContact CD2-SD 4.32Å; L156-M161 HydrophobicContact CG-CG 3.75Å; L156-M161 HydrophobicContact CG-SD 4.22Å
157	D	92.1	Very high	91.5	Very high	65 Å²	65	58.9 Å²	58.9	35%	0.348	33%	0.327	S	S	.	.			trans	-126.8	-176.6	169	66.2	20.4	0	0	0	110.4	A159 A160 M161	D157-A159 PolarHBondContact O-N 3.37Å; D157-A159 WeakPolarHBondContact OD1-CA 3.36Å; D157-A159 WeakPolarHBondContact OD1-CB 3.18Å; D157-A159 PolarHBondContact OD1-N 3.38Å; D157-A160 PolarHBondContact O-N 2.92Å; D157-A160 PolarHBondContact OD1-N 2.72Å; D157-M161 WeakPolarHBondContact O-CB 3.49Å; D157-M161 WeakPolarHBondContact O-CE 3.44Å; D157-M161 VanDerWaalsContact O-CG 3.32Å; D157-M161 WeakPolarHBondContact O-CG 3.36Å; D157-M161 PolarHBondContact O-N 2.85Å
158	V	93.3	Very high	90.6	Very high	2 Å²	2	67 Å²	67	1%	0.012	37%	0.365	C	S	.	.	H	α-helix	trans	-58.8	-35.1	179.6	-174.7	0	0	0	0	112.3	D109 M161 T162 D183 M184 I187	D109-V158 HydrophobicContact CB-CG2 3.89Å; V158-M161 HydrophobicContact CG2-CE 4.38Å; V158-T162 HydrophobicContact CG1-CG2 4.45Å; V158-T162 WeakPolarHBondContact O-CB 3.24Å; V158-T162 WeakPolarHBondContact O-CG2 3.35Å; V158-T162 PolarHBondContact O-N 2.72Å; V158-T162 PolarHBondContact O-OG1 3.46Å; V158-D183 HydrophobicContact CG1-CB 3.5Å; V158-D183 VanDerWaalsContact CG1-CB 3.5Å; V158-M184 HydrophobicContact CG1-CG 4.31Å; V158-M184 HydrophobicContact CG2-CG 3.75Å; V158-M184 HydrophobicContact CG2-SD 4.41Å; V158-I187 HydrophobicContact CG1-CD1 3.95Å
159	A	91.7	Very high	89.4	Confident	43 Å²	43	70.4 Å²	70.4	36%	0.355	37%	0.37	S	S	.	.	H	α-helix	trans	-70	-43.8	177.7	0	0	0	0	0	111.3	D157 T162 E163	D157-A159 PolarHBondContact O-N 3.37Å; D157-A159 WeakPolarHBondContact OD1-CA 3.36Å; D157-A159 WeakPolarHBondContact OD1-CB 3.18Å; D157-A159 PolarHBondContact OD1-N 3.38Å; A159-T162 PolarHBondContact O-OG1 3.22Å; A159-T162 VanDerWaalsContact O-OG1 3.04Å; A159-E163 VanDerWaalsContact O-CB 3.31Å; A159-E163 WeakPolarHBondContact O-CB 3.45Å; A159-E163 PolarHBondContact O-N 3.43Å
160	A	92.9	Very high	87.9	Confident	20 Å²	20	74 Å²	74	17%	0.165	37%	0.374	C	S	.	.	H	α-helix	trans	-66.9	-35.4	175.6	0	0	0	0	0	112.7	L156 D157 Y164	L156-A160 HydrophobicContact CD1-CB 4.34Å; D157-A160 PolarHBondContact O-N 2.92Å; D157-A160 PolarHBondContact OD1-N 2.72Å; A160-Y164 WeakPolarHBondContact O-CB 3.43Å; A160-Y164 PolarHBondContact O-N 3.42Å
161	M	94.8	Very high	85.9	Confident	0 Å²	0	79.2 Å²	79.2	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-69.8	-43.2	175.8	-72.9	-174.7	-74.7	0	0	112.2	L139 R140 F143 L156 D157 V158 Y164 L165 I187	L139-M161 HydrophobicContact CD2-CE 4.06Å; L139-M161 HydrophobicContact CG-CE 4.08Å; L139-M161 HydrophobicContact CG-SD 4.19Å; R140-M161 HydrophobicContact CG-CE 4.15Å; F143-M161 HydrophobicContact CB-CG 4.31Å; F143-M161 HydrophobicContact CB-SD 3.49Å; F143-M161 WeakPolarHBondContact CB-SD 3.47Å; F143-M161 HydrophobicContact CD1-CG 3.83Å; F143-M161 HydrophobicContact CD1-SD 4.17Å; F143-M161 HydrophobicContact CD2-CB 4.2Å; F143-M161 HydrophobicContact CD2-CG 3.85Å; F143-M161 HydrophobicContact CD2-SD 3.74Å; F143-M161 HydrophobicContact CE1-CG 3.99Å; F143-M161 HydrophobicContact CE2-CB 3.96Å; F143-M161 HydrophobicContact CE2-CG 4.01Å; F143-M161 HydrophobicContact CE2-SD 4.46Å; F143-M161 HydrophobicContact CG-CG 3.74Å; F143-M161 HydrophobicContact CG-SD 3.55Å; F143-M161 VanDerWaalsContact CG-SD 3.55Å; F143-M161 HydrophobicContact CZ-CB 4.11Å; F143-M161 HydrophobicContact CZ-CG 4.07Å; L156-M161 HydrophobicContact CD1-CG 3.57Å; L156-M161 HydrophobicContact CD2-CG 4.27Å; L156-M161 HydrophobicContact CD2-SD 4.32Å; L156-M161 HydrophobicContact CG-CG 3.75Å; L156-M161 HydrophobicContact CG-SD 4.22Å; D157-M161 WeakPolarHBondContact O-CB 3.49Å; D157-M161 WeakPolarHBondContact O-CE 3.44Å; D157-M161 VanDerWaalsContact O-CG 3.32Å; D157-M161 WeakPolarHBondContact O-CG 3.36Å; D157-M161 PolarHBondContact O-N 2.85Å; V158-M161 HydrophobicContact CG2-CE 4.38Å; M161-Y164 PolarHBondContact O-N 3.24Å; M161-L165 WeakPolarHBondContact O-CG 3.27Å; M161-L165 PolarHBondContact O-N 2.7Å; M161-L165 VanDerWaalsContact O-N 3.08Å; M161-I187 HydrophobicContact CB-CD1 3.55Å; M161-I187 HydrophobicContact CB-CG1 4.14Å; M161-I187 HydrophobicContact CE-CD1 4.36Å; M161-I187 HydrophobicContact SD-CG2 4.4Å
162	T	93.3	Very high	84.2	Confident	8 Å²	8	80.3 Å²	80.3	5%	0.049	42%	0.42	C	S	.	.	H	α-helix	trans	-67.6	-37.4	175.8	49.9	0	0	0	0	112.6	V158 A159 L165 N166 F167 D183 I187	V158-T162 HydrophobicContact CG1-CG2 4.45Å; V158-T162 WeakPolarHBondContact O-CB 3.24Å; V158-T162 WeakPolarHBondContact O-CG2 3.35Å; V158-T162 PolarHBondContact O-N 2.72Å; V158-T162 PolarHBondContact O-OG1 3.46Å; A159-T162 PolarHBondContact O-OG1 3.22Å; A159-T162 VanDerWaalsContact O-OG1 3.04Å; T162-L165 PolarHBondContact O-N 2.79Å; T162-N166 PolarHBondContact O-N 3.18Å; T162-N166 VanDerWaalsContact O-N 3.15Å; T162-F167 HydrophobicContact CG2-CD2 3.84Å; T162-F167 PolarHBondContact O-N 3.05Å; T162-D183 HydrophobicContact CG2-CB 3.87Å; T162-I187 HydrophobicContact CG2-CD1 3.84Å; T162-I187 HydrophobicContact CG2-CG1 4.04Å
163	E	93	Very high	82.4	Confident	147 Å²	147	83.8 Å²	83.8	69%	0.687	44%	0.444	S	S	*	.	H	α-helix	trans	-63.6	-45.9	172.9	-176.1	171.5	-171.7	0	0	111.7	A159 L165 N166	A159-E163 VanDerWaalsContact O-CB 3.31Å; A159-E163 WeakPolarHBondContact O-CB 3.45Å; A159-E163 PolarHBondContact O-N 3.43Å; E163-L165 VanDerWaalsContact C-N 3.29Å; E163-L165 PolarHBondContact O-N 2.67Å; E163-N166 PolarHBondContact O-N 3.14Å
164	Y	92.8	Very high	81.1	Confident	87 Å²	87	83.2 Å²	83.2	34%	0.341	45%	0.446	S	S	.	.	H	α-helix	trans	-61.4	-35.9	176.4	-171.9	-88.5	0	0	0	113	F143 C147 A160 M161 N166	F143-Y164 AromaticContact CE1-CD1 3.97Å; F143-Y164 HydrophobicContact CE1-CD1 3.97Å; F143-Y164 HydrophobicContact CE1-CE1 4.49Å; F143-Y164 HydrophobicContact CE1-CG 4.31Å; F143-Y164 AromaticContact CZ-CD1 3.66Å; F143-Y164 HydrophobicContact CZ-CD1 3.66Å; F143-Y164 HydrophobicContact CZ-CE1 4.42Å; F143-Y164 HydrophobicContact CZ-CG 4.19Å; C147-Y164 HydrophobicContact CB-CE1 3.88Å; A160-Y164 WeakPolarHBondContact O-CB 3.43Å; A160-Y164 PolarHBondContact O-N 3.42Å; M161-Y164 PolarHBondContact O-N 3.24Å; Y164-N166 VanDerWaalsContact C-N 3.26Å; Y164-N166 PolarHBondContact O-N 3.12Å; Y164-N166 PolarHBondContact O-ND2 2.99Å; Y164-N166 VanDerWaalsContact O-ND2 3.14Å
165	L	91.8	Very high	80.5	Confident	26 Å²	26	83.4 Å²	83.4	14%	0.136	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-3.6	174.8	-68.6	179.6	0	0	0	113.9	F143 M161 T162 E163 F167 I187 A190 Y196	F143-L165 HydrophobicContact CE2-CD1 4Å; F143-L165 HydrophobicContact CE2-CD2 4.22Å; F143-L165 HydrophobicContact CE2-CG 3.95Å; F143-L165 HydrophobicContact CZ-CD2 4.42Å; F143-L165 HydrophobicContact CZ-CG 4.19Å; M161-L165 WeakPolarHBondContact O-CG 3.27Å; M161-L165 PolarHBondContact O-N 2.7Å; M161-L165 VanDerWaalsContact O-N 3.08Å; T162-L165 PolarHBondContact O-N 2.79Å; E163-L165 VanDerWaalsContact C-N 3.29Å; E163-L165 PolarHBondContact O-N 2.67Å; L165-F167 VanDerWaalsContact C-N 3.31Å; L165-F167 HydrophobicContact CB-CD1 4.23Å; L165-F167 HydrophobicContact CB-CD2 4.38Å; L165-F167 HydrophobicContact CB-CE1 4.17Å; L165-F167 HydrophobicContact CB-CE2 4.3Å; L165-F167 HydrophobicContact CB-CG 4.34Å; L165-F167 HydrophobicContact CB-CZ 4.21Å; L165-F167 HydrophobicContact CD1-CD2 4.49Å; L165-F167 HydrophobicContact CD1-CE1 4.46Å; L165-F167 HydrophobicContact CD1-CE2 3.74Å; L165-F167 HydrophobicContact CD1-CZ 3.74Å; L165-F167 PolarHBondContact O-N 2.91Å; L165-I187 HydrophobicContact CD1-CB 4.29Å; L165-I187 HydrophobicContact CD1-CG1 4Å; L165-I187 HydrophobicContact CD1-CG2 4.32Å; L165-A190 HydrophobicContact CD1-CB 3.82Å; L165-A190 HydrophobicContact CD2-CB 4.38Å; L165-Y196 HydrophobicContact CD2-CE2 3.82Å
166	N	89.7	Confident	80.2	Confident	141 Å²	141	81 Å²	81	75%	0.754	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	37.3	-177	-58.5	-101.9	0	0	0	113.4	T162 E163 Y164	T162-N166 PolarHBondContact O-N 3.18Å; T162-N166 VanDerWaalsContact O-N 3.15Å; E163-N166 PolarHBondContact O-N 3.14Å; Y164-N166 VanDerWaalsContact C-N 3.26Å; Y164-N166 PolarHBondContact O-N 3.12Å; Y164-N166 PolarHBondContact O-ND2 2.99Å; Y164-N166 VanDerWaalsContact O-ND2 3.14Å
167	F	86.2	Confident	79.8	Confident	73 Å²	73	81.1 Å²	81.1	32%	0.32	43%	0.427	S	S	.	.			trans	-73.8	132.4	173.2	-68.6	-22.4	0	0	0	111.6	T162 L165 K169 N186 I187 A190	T162-F167 HydrophobicContact CG2-CD2 3.84Å; T162-F167 PolarHBondContact O-N 3.05Å; L165-F167 VanDerWaalsContact C-N 3.31Å; L165-F167 HydrophobicContact CB-CD1 4.23Å; L165-F167 HydrophobicContact CB-CD2 4.38Å; L165-F167 HydrophobicContact CB-CE1 4.17Å; L165-F167 HydrophobicContact CB-CE2 4.3Å; L165-F167 HydrophobicContact CB-CG 4.34Å; L165-F167 HydrophobicContact CB-CZ 4.21Å; L165-F167 HydrophobicContact CD1-CD2 4.49Å; L165-F167 HydrophobicContact CD1-CE1 4.46Å; L165-F167 HydrophobicContact CD1-CE2 3.74Å; L165-F167 HydrophobicContact CD1-CZ 3.74Å; L165-F167 PolarHBondContact O-N 2.91Å; F167-K169 PolarHBondContact O-N 3.39Å; F167-N186 HydrophobicContact CD2-CB 4.27Å; F167-N186 HydrophobicContact CE2-CB 3.64Å; F167-N186 HydrophobicContact CZ-CB 4.13Å; F167-I187 HydrophobicContact CE2-CG1 4.23Å; F167-A190 HydrophobicContact CE1-CB 4.49Å; F167-A190 HydrophobicContact CZ-CB 3.89Å
168	E	73.4	Confident	79.7	Confident	174 Å²	174	78.4 Å²	78.4	81%	0.813	41%	0.414	S	S	*	.			trans	-67.8	127.3	171.4	-64.9	-169.7	163.1	0	0	110.3	N170	E168-N170 PolarHBondContact O-N 3.25Å
169	K	66.9	Low	79.6	Confident	167 Å²	167	80.5 Å²	80.5	73%	0.726	43%	0.428	S	S	*	.			trans	-70.5	95.2	176.2	-71	-173.3	177.9	179.1	0	110.1	F167 S171	F167-K169 PolarHBondContact O-N 3.39Å; K169-S171 PolarHBondContact O-N 3.5Å
170	N	56.9	Low	79.6	Confident	136 Å²	136	79.8 Å²	79.8	73%	0.727	42%	0.418	S	S	*	.			trans	-56.7	104.4	173	-82.7	-55	0	0	0	110.4	E168 S172	E168-N170 PolarHBondContact O-N 3.25Å; N170-S172 PolarHBondContact O-N 3.48Å
171	S	50.3	Low	79.7	Confident	122 Å²	122	78.9 Å²	78.9	85%	0.853	41%	0.41	S	S	*	.			trans	-73.1	34.6	-174.5	52.8	0	0	0	0	114.6	K169	K169-S171 PolarHBondContact O-N 3.5Å
172	S	55.9	Low	79.6	Confident	75 Å²	75	81.6 Å²	81.6	52%	0.524	42%	0.422	S	S	.	.			trans	-63.9	145.4	168.6	71.5	0	0	0	0	110.9	N170 S174	N170-S172 PolarHBondContact O-N 3.48Å; S172-S174 PolarHBondContact O-N 2.77Å; S172-S174 PolarHBondContact OG-OG 3.36Å
173	V	55.7	Low	79.7	Confident	155 Å²	155	83.2 Å²	83.2	94%	0.939	43%	0.431	S	S	*	.			trans	-82.5	57.3	176.3	-165.4	0	0	0	0	110.1
174	S	61.6	Low	79.8	Confident	63 Å²	63	76.2 Å²	76.2	44%	0.441	40%	0.398	S	S	.	.			trans	-79.9	144	177	-66	0	0	0	0	110.5	S172	S172-S174 PolarHBondContact O-N 2.77Å; S172-S174 PolarHBondContact OG-OG 3.36Å
175	R	76.4	Confident	80	Confident	127 Å²	127	72 Å²	72	48%	0.479	38%	0.382	S	S	.	.			trans	-62.8	145.3	171.3	-80.7	174.4	-78.6	161.7	1.4	109.2	E50 G177 A178 S179	E50-R175 VanDerWaalsContact CD-NH1 3.35Å; E50-R175 IonicContact OE1-CZ 2.72Å; E50-R175 IonicContact OE1-NH1 3.68Å; E50-R175 PolarHBondContact OE1-NH1 2.79Å; E50-R175 IonicContact OE1-NH2 3.52Å; E50-R175 PolarHBondContact OE1-NH2 2.67Å; E50-R175 IonicContact OE2-CZ 3.59Å; E50-R175 IonicContact OE2-NH1 3.86Å; E50-R175 PolarHBondContact OE2-NH1 2.63Å; E50-R175 IonicContact OE2-NH2 3.49Å; E50-R175 PolarHBondContact OE2-NH2 3.18Å; R175-G177 PolarHBondContact O-N 3.33Å; R175-A178 WeakPolarHBondContact O-CA 3.28Å; R175-A178 VanDerWaalsContact O-CB 3.27Å; R175-A178 WeakPolarHBondContact O-CB 3.29Å; R175-A178 PolarHBondContact O-N 2.82Å; R175-S179 PolarHBondContact O-N 3.47Å
176	Y	82.3	Confident	80.1	Confident	71 Å²	71	73.6 Å²	73.6	28%	0.278	39%	0.39	S	S	.	.	H	α-helix	trans	-46.3	-56.5	-171.2	170.5	-99.8	0	0	0	113.5	F12 I14 E67 A178 S179 Q180	F12-Y176 HydrophobicContact CE1-CD1 4.35Å; F12-Y176 AromaticContact CE1-CE1 3.92Å; F12-Y176 HydrophobicContact CE1-CE1 3.92Å; F12-Y176 AromaticContact CZ-CE1 3.85Å; F12-Y176 HydrophobicContact CZ-CE1 3.85Å; I14-Y176 HydrophobicContact CD1-CD1 4.04Å; E67-Y176 HydrophobicContact CG-CD1 3.98Å; E67-Y176 HydrophobicContact CG-CD2 4.15Å; E67-Y176 HydrophobicContact CG-CE1 4.44Å; E67-Y176 HydrophobicContact CG-CG 3.81Å; E67-Y176 VanDerWaalsContact OE1-CE2 3.23Å; E67-Y176 WeakPolarHBondContact OE1-CE2 3.41Å; E67-Y176 VanDerWaalsContact OE1-CZ 3.31Å; Y176-A178 VanDerWaalsContact C-N 3.26Å; Y176-A178 PolarHBondContact O-N 2.88Å; Y176-S179 PolarHBondContact O-N 3.14Å; Y176-S179 VanDerWaalsContact O-N 3.13Å; Y176-Q180 HydrophobicContact CD1-CG 4.44Å; Y176-Q180 HydrophobicContact CE1-CG 4.12Å; Y176-Q180 HydrophobicContact CE2-CG 4.38Å; Y176-Q180 VanDerWaalsContact CE2-NE2 3.3Å; Y176-Q180 WeakPolarHBondContact O-CG 3.39Å; Y176-Q180 PolarHBondContact O-N 3.13Å
177	G	85.1	Confident	80.4	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.01	35%	0.354	C	S	.	.	H	α-helix	trans	-65	-23	-179.9	0	0	0	0	0	115.1	R175 V181	R175-G177 PolarHBondContact O-N 3.33Å; G177-V181 PolarHBondContact O-N 2.84Å
178	A	89.6	Confident	80.9	Confident	9 Å²	9	63.4 Å²	63.4	7%	0.074	34%	0.339	C	S	.	.	H	α-helix	trans	-70.4	-43.7	172.6	0	0	0	0	0	111.1	F34 L48 R175 Y176 Q180 V181 E182	F34-A178 HydrophobicContact CE1-CB 4.25Å; L48-A178 HydrophobicContact CD2-CB 3.68Å; R175-A178 WeakPolarHBondContact O-CA 3.28Å; R175-A178 VanDerWaalsContact O-CB 3.27Å; R175-A178 WeakPolarHBondContact O-CB 3.29Å; R175-A178 PolarHBondContact O-N 2.82Å; Y176-A178 VanDerWaalsContact C-N 3.26Å; Y176-A178 PolarHBondContact O-N 2.88Å; A178-Q180 VanDerWaalsContact C-N 3.34Å; A178-Q180 PolarHBondContact O-N 3.44Å; A178-V181 PolarHBondContact O-N 3.36Å; A178-E182 WeakPolarHBondContact O-CG 3.3Å; A178-E182 PolarHBondContact O-N 2.64Å; A178-E182 VanDerWaalsContact O-N 3.08Å
179	S	90.4	Very high	81.9	Confident	45 Å²	45	56.7 Å²	56.7	32%	0.315	31%	0.309	S	S	.	.	H	α-helix	trans	-58.4	-48.3	173.6	-161	0	0	0	0	110.4	R175 Y176 V181 E182 D183	R175-S179 PolarHBondContact O-N 3.47Å; Y176-S179 PolarHBondContact O-N 3.14Å; Y176-S179 VanDerWaalsContact O-N 3.13Å; S179-V181 VanDerWaalsContact C-N 3.29Å; S179-V181 PolarHBondContact O-N 3.05Å; S179-E182 PolarHBondContact O-N 3.29Å; S179-E182 VanDerWaalsContact O-N 3.09Å; S179-D183 WeakPolarHBondContact O-CB 3.4Å; S179-D183 VanDerWaalsContact O-CG 3.23Å; S179-D183 PolarHBondContact O-N 2.97Å; S179-D183 PolarHBondContact OG-OD2 2.96Å
180	Q	92.3	Very high	83.3	Confident	29 Å²	29	49.9 Å²	49.9	14%	0.136	28%	0.283	C	S	.	.	H	α-helix	trans	-53.8	-44.4	-179.9	-62	-66.5	-18.7	0	0	112.2	F12 Y176 A178 M184	F12-Q180 HydrophobicContact CD1-CB 4.17Å; F12-Q180 HydrophobicContact CD2-CB 3.82Å; F12-Q180 HydrophobicContact CD2-CG 4.41Å; F12-Q180 HydrophobicContact CE1-CB 4.14Å; F12-Q180 HydrophobicContact CE1-CG 3.99Å; F12-Q180 HydrophobicContact CE2-CB 3.79Å; F12-Q180 HydrophobicContact CE2-CG 3.87Å; F12-Q180 HydrophobicContact CG-CB 4.03Å; F12-Q180 HydrophobicContact CZ-CB 3.96Å; F12-Q180 HydrophobicContact CZ-CG 3.65Å; Y176-Q180 HydrophobicContact CD1-CG 4.44Å; Y176-Q180 HydrophobicContact CE1-CG 4.12Å; Y176-Q180 HydrophobicContact CE2-CG 4.38Å; Y176-Q180 VanDerWaalsContact CE2-NE2 3.3Å; Y176-Q180 WeakPolarHBondContact O-CG 3.39Å; Y176-Q180 PolarHBondContact O-N 3.13Å; A178-Q180 VanDerWaalsContact C-N 3.34Å; A178-Q180 PolarHBondContact O-N 3.44Å; Q180-M184 VanDerWaalsContact O-CB 3.26Å; Q180-M184 WeakPolarHBondContact O-CB 3.43Å; Q180-M184 WeakPolarHBondContact O-CG 3.26Å; Q180-M184 PolarHBondContact O-N 3.2Å
181	V	94.7	Very high	85.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-71.3	-36.7	178.8	171.6	0	0	0	0	113.1	V10 F12 F34 K36 L48 G177 A178 S179 G185	V10-V181 HydrophobicContact CB-CG1 4.4Å; V10-V181 HydrophobicContact CG1-CB 4.27Å; V10-V181 HydrophobicContact CG1-CG1 3.84Å; V10-V181 HydrophobicContact CG1-CG2 4.21Å; F12-V181 HydrophobicContact CB-CG2 3.45Å; F12-V181 VanDerWaalsContact CB-CG2 3.45Å; F12-V181 HydrophobicContact CG-CG2 4.45Å; F34-V181 HydrophobicContact CB-CG2 3.66Å; K36-V181 HydrophobicContact CB-CG1 3.36Å; K36-V181 HydrophobicContact CD-CG1 4.26Å; K36-V181 HydrophobicContact CG-CG1 4.42Å; L48-V181 HydrophobicContact CD1-CB 3.87Å; L48-V181 HydrophobicContact CD1-CG1 3.51Å; G177-V181 PolarHBondContact O-N 2.84Å; A178-V181 PolarHBondContact O-N 3.36Å; S179-V181 VanDerWaalsContact C-N 3.29Å; S179-V181 PolarHBondContact O-N 3.05Å; V181-G185 PolarHBondContact O-N 3.18Å
182	E	93.4	Very high	87.3	Confident	57 Å²	57	38.3 Å²	38.3	27%	0.266	21%	0.212	S	C	.	.	H	α-helix	trans	-64.4	-49.4	172.5	-68.5	-61.2	159.4	0	0	111.4	K36 A178 S179 M184 G185 N186	K36-E182 IonicContact NZ-OE1 2.76Å; K36-E182 PolarHBondContact NZ-OE1 2.83Å; K36-E182 IonicContact NZ-OE2 3.71Å; K36-E182 PolarHBondContact NZ-OE2 3.29Å; A178-E182 WeakPolarHBondContact O-CG 3.3Å; A178-E182 PolarHBondContact O-N 2.64Å; A178-E182 VanDerWaalsContact O-N 3.08Å; S179-E182 PolarHBondContact O-N 3.29Å; S179-E182 VanDerWaalsContact O-N 3.09Å; E182-M184 PolarHBondContact O-N 2.93Å; E182-G185 PolarHBondContact O-N 3.32Å; E182-G185 VanDerWaalsContact O-N 3.11Å; E182-N186 VanDerWaalsContact O-CG 3.3Å; E182-N186 PolarHBondContact O-N 2.89Å; E182-N186 PolarHBondContact O-ND2 3.34Å; E182-N186 VanDerWaalsContact O-ND2 3.08Å
183	D	94.4	Very high	89.1	Confident	42 Å²	42	36.2 Å²	36.2	23%	0.225	20%	0.197	C	C	.	.	H	α-helix	trans	-61.9	-43.6	-179.9	-68.8	-43.3	0	0	0	111.4	V158 T162 S179 G185 N186 I187	V158-D183 HydrophobicContact CG1-CB 3.5Å; V158-D183 VanDerWaalsContact CG1-CB 3.5Å; T162-D183 HydrophobicContact CG2-CB 3.87Å; S179-D183 WeakPolarHBondContact O-CB 3.4Å; S179-D183 VanDerWaalsContact O-CG 3.23Å; S179-D183 PolarHBondContact O-N 2.97Å; S179-D183 PolarHBondContact OG-OD2 2.96Å; D183-G185 PolarHBondContact O-N 3.08Å; D183-N186 PolarHBondContact O-N 2.85Å; D183-I187 WeakPolarHBondContact O-CD1 3.45Å; D183-I187 VanDerWaalsContact O-CG1 3.25Å; D183-I187 WeakPolarHBondContact O-CG1 3.46Å; D183-I187 PolarHBondContact O-N 3.05Å
184	M	96.2	Very high	90.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.1	-42.9	170.7	-76.6	179.8	72.9	0	0	112.8	V10 F12 T108 D109 L139 V158 Q180 E182 N186 I187 I188	V10-M184 HydrophobicContact CG1-CB 3.71Å; V10-M184 HydrophobicContact CG1-CE 3.82Å; V10-M184 HydrophobicContact CG1-CG 4.44Å; V10-M184 HydrophobicContact CG1-SD 3.87Å; F12-M184 HydrophobicContact CD2-SD 4.38Å; T108-M184 VanDerWaalsContact C-CE 3.44Å; D109-M184 HydrophobicContact CB-CE 4.13Å; D109-M184 HydrophobicContact CB-SD 3.85Å; L139-M184 HydrophobicContact CB-CE 4.35Å; L139-M184 HydrophobicContact CD2-CB 3.98Å; L139-M184 HydrophobicContact CD2-CE 3.77Å; L139-M184 HydrophobicContact CD2-CG 3.71Å; V158-M184 HydrophobicContact CG1-CG 4.31Å; V158-M184 HydrophobicContact CG2-CG 3.75Å; V158-M184 HydrophobicContact CG2-SD 4.41Å; Q180-M184 VanDerWaalsContact O-CB 3.26Å; Q180-M184 WeakPolarHBondContact O-CB 3.43Å; Q180-M184 WeakPolarHBondContact O-CG 3.26Å; Q180-M184 PolarHBondContact O-N 3.2Å; E182-M184 PolarHBondContact O-N 2.93Å; M184-N186 VanDerWaalsContact C-N 3.35Å; M184-I187 PolarHBondContact O-N 3.21Å; M184-I188 VanDerWaalsContact O-CG1 3.32Å; M184-I188 WeakPolarHBondContact O-CG1 3.39Å; M184-I188 PolarHBondContact O-N 2.76Å
185	G	95.8	Very high	92.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.3	-43.3	176.1	0	0	0	0	0	112.2	V181 E182 D183 I188 L189	V181-G185 PolarHBondContact O-N 3.18Å; E182-G185 PolarHBondContact O-N 3.32Å; E182-G185 VanDerWaalsContact O-N 3.11Å; D183-G185 PolarHBondContact O-N 3.08Å; G185-I188 PolarHBondContact O-N 3.28Å; G185-L189 PolarHBondContact O-N 2.9Å
186	N	94.8	Very high	92.8	Very high	58 Å²	58	36.7 Å²	36.7	31%	0.31	19%	0.194	S	C	.	.	H	α-helix	trans	-66.1	-41.1	176.8	-66.4	-38.7	0	0	0	112.2	F167 E182 D183 M184 I188 L189 A190	F167-N186 HydrophobicContact CD2-CB 4.27Å; F167-N186 HydrophobicContact CE2-CB 3.64Å; F167-N186 HydrophobicContact CZ-CB 4.13Å; E182-N186 VanDerWaalsContact O-CG 3.3Å; E182-N186 PolarHBondContact O-N 2.89Å; E182-N186 PolarHBondContact O-ND2 3.34Å; E182-N186 VanDerWaalsContact O-ND2 3.08Å; D183-N186 PolarHBondContact O-N 2.85Å; M184-N186 VanDerWaalsContact C-N 3.35Å; N186-I188 VanDerWaalsContact C-N 3.35Å; N186-I188 PolarHBondContact O-N 2.86Å; N186-L189 PolarHBondContact O-N 3.37Å; N186-A190 PolarHBondContact O-N 3.49Å
187	I	95.9	Very high	93.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.9	-47.6	173.5	-71	158.7	0	0	0	110.2	L139 F143 V158 M161 T162 L165 F167 D183 M184 L189 A190 M191	L139-I187 HydrophobicContact CD1-CG2 4.23Å; L139-I187 HydrophobicContact CD2-CG2 4.28Å; L139-I187 HydrophobicContact CG-CG2 4.48Å; F143-I187 HydrophobicContact CD2-CG2 3.75Å; F143-I187 HydrophobicContact CE2-CG2 4.07Å; V158-I187 HydrophobicContact CG1-CD1 3.95Å; M161-I187 HydrophobicContact CB-CD1 3.55Å; M161-I187 HydrophobicContact CB-CG1 4.14Å; M161-I187 HydrophobicContact CE-CD1 4.36Å; M161-I187 HydrophobicContact SD-CG2 4.4Å; T162-I187 HydrophobicContact CG2-CD1 3.84Å; T162-I187 HydrophobicContact CG2-CG1 4.04Å; L165-I187 HydrophobicContact CD1-CB 4.29Å; L165-I187 HydrophobicContact CD1-CG1 4Å; L165-I187 HydrophobicContact CD1-CG2 4.32Å; F167-I187 HydrophobicContact CE2-CG1 4.23Å; D183-I187 WeakPolarHBondContact O-CD1 3.45Å; D183-I187 VanDerWaalsContact O-CG1 3.25Å; D183-I187 WeakPolarHBondContact O-CG1 3.46Å; D183-I187 PolarHBondContact O-N 3.05Å; M184-I187 PolarHBondContact O-N 3.21Å; I187-L189 PolarHBondContact O-N 3.23Å; I187-A190 PolarHBondContact O-N 2.96Å; I187-M191 HydrophobicContact CG2-CG 4.3Å; I187-M191 HydrophobicContact CG2-SD 3.71Å; I187-M191 VanDerWaalsContact O-CG 3.28Å; I187-M191 WeakPolarHBondContact O-CG 3.21Å; I187-M191 PolarHBondContact O-N 2.65Å
188	I	96.7	Very high	93.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-43.4	178.5	-69.2	165.4	0	0	0	111.2	L8 V10 V38 L40 C107 L139 M184 G185 N186 A190 M191 I192 F200	L8-I188 HydrophobicContact CD1-CD1 4.14Å; L8-I188 HydrophobicContact CD1-CG2 4.1Å; V10-I188 HydrophobicContact CG2-CD1 3.49Å; V10-I188 VanDerWaalsContact CG2-CD1 3.49Å; V38-I188 HydrophobicContact CG1-CG2 3.93Å; L40-I188 HydrophobicContact CD2-CG2 4.07Å; C107-I188 HydrophobicContact CB-CD1 4.33Å; L139-I188 HydrophobicContact CD1-CD1 4.32Å; L139-I188 HydrophobicContact CD1-CG1 3.73Å; M184-I188 VanDerWaalsContact O-CG1 3.32Å; M184-I188 WeakPolarHBondContact O-CG1 3.39Å; M184-I188 PolarHBondContact O-N 2.76Å; G185-I188 PolarHBondContact O-N 3.28Å; N186-I188 VanDerWaalsContact C-N 3.35Å; N186-I188 PolarHBondContact O-N 2.86Å; I188-A190 VanDerWaalsContact C-N 3.33Å; I188-A190 PolarHBondContact O-N 3.27Å; I188-M191 PolarHBondContact O-N 2.77Å; I188-I192 WeakPolarHBondContact O-CG1 3.39Å; I188-I192 PolarHBondContact O-N 3.3Å; I188-F200 HydrophobicContact CG1-CZ 4.16Å; I188-F200 HydrophobicContact CG2-CE2 3.98Å; I188-F200 HydrophobicContact CG2-CZ 4.15Å
189	L	95.6	Very high	93.9	Very high	34 Å²	34	45.9 Å²	45.9	18%	0.178	23%	0.234	C	C	.	.	H	α-helix	trans	-63	-35.9	177.3	-72.8	-163.9	0	0	0	113.3	V38 K43 V45 G185 N186 I187 I192 S193	V38-L189 HydrophobicContact CG1-CD2 3.85Å; K43-L189 VanDerWaalsContact C-CD2 3.47Å; K43-L189 HydrophobicContact CB-CD2 4.27Å; V45-L189 HydrophobicContact CG2-CD1 3.5Å; V45-L189 VanDerWaalsContact CG2-CD1 3.5Å; V45-L189 HydrophobicContact CG2-CG 4.09Å; G185-L189 PolarHBondContact O-N 2.9Å; N186-L189 PolarHBondContact O-N 3.37Å; I187-L189 PolarHBondContact O-N 3.23Å; L189-I192 HydrophobicContact CD2-CD1 3.99Å; L189-S193 VanDerWaalsContact O-CB 3.28Å; L189-S193 WeakPolarHBondContact O-CB 3.38Å; L189-S193 PolarHBondContact O-OG 3.19Å
190	A	95.1	Very high	94	Very high	23 Å²	23	43.8 Å²	43.8	19%	0.19	22%	0.219	C	C	.	.	H	α-helix	trans	-69.2	-45.6	173	0	0	0	0	0	111.7	L165 F167 N186 I187 I188 I192 S193	L165-A190 HydrophobicContact CD1-CB 3.82Å; L165-A190 HydrophobicContact CD2-CB 4.38Å; F167-A190 HydrophobicContact CE1-CB 4.49Å; F167-A190 HydrophobicContact CZ-CB 3.89Å; N186-A190 PolarHBondContact O-N 3.49Å; I187-A190 PolarHBondContact O-N 2.96Å; I188-A190 VanDerWaalsContact C-N 3.33Å; I188-A190 PolarHBondContact O-N 3.27Å; A190-I192 VanDerWaalsContact C-N 3.34Å; A190-I192 PolarHBondContact O-N 3.31Å; A190-S193 PolarHBondContact O-N 2.65Å
191	M	95.4	Very high	94	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-57.4	-42.8	178.5	-72.5	171.6	62.9	0	0	112.4	L139 E142 F143 C146 I187 I188 S193 Y196 N197 H198 F200	L139-M191 HydrophobicContact CD1-CE 4.5Å; L139-M191 HydrophobicContact CD1-SD 3.88Å; E142-M191 HydrophobicContact CB-CE 3.83Å; F143-M191 HydrophobicContact CB-CE 4.43Å; F143-M191 HydrophobicContact CB-SD 4.22Å; F143-M191 HydrophobicContact CD2-CG 4.18Å; F143-M191 HydrophobicContact CD2-SD 3.85Å; C146-M191 HydrophobicContact CB-CE 3.97Å; C146-M191 HydrophobicContact CB-CG 4.49Å; I187-M191 HydrophobicContact CG2-CG 4.3Å; I187-M191 HydrophobicContact CG2-SD 3.71Å; I187-M191 VanDerWaalsContact O-CG 3.28Å; I187-M191 WeakPolarHBondContact O-CG 3.21Å; I187-M191 PolarHBondContact O-N 2.65Å; I188-M191 PolarHBondContact O-N 2.77Å; M191-S193 PolarHBondContact O-N 3.23Å; M191-Y196 VanDerWaalsContact O-CB 3.32Å; M191-Y196 WeakPolarHBondContact O-CB 3.5Å; M191-N197 PolarHBondContact O-N 2.98Å; M191-H198 HydrophobicContact CB-CB 4.13Å; M191-H198 VanDerWaalsContact O-CB 3.26Å; M191-H198 WeakPolarHBondContact O-CB 3.49Å; M191-H198 PolarHBondContact O-N 2.61Å; M191-F200 HydrophobicContact CE-CE1 4.19Å; M191-F200 HydrophobicContact CE-CZ 3.85Å; M191-F200 HydrophobicContact SD-CZ 4.47Å
192	I	95.2	Very high	93.8	Very high	15 Å²	15	50.4 Å²	50.4	8%	0.077	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	4.2	178.4	69.8	-175.8	0	0	0	113.9	L40 K43 I188 L189 A190 F200	L40-I192 HydrophobicContact CD2-CD1 4.04Å; L40-I192 HydrophobicContact CD2-CG2 4.32Å; K43-I192 HydrophobicContact CB-CD1 4.44Å; K43-I192 HydrophobicContact CD-CG1 4.45Å; K43-I192 VanDerWaalsContact CE-O 3.22Å; K43-I192 WeakPolarHBondContact CE-O 3.38Å; K43-I192 HydrophobicContact CG-CD1 3.95Å; K43-I192 HydrophobicContact CG-CG1 4.29Å; K43-I192 PolarHBondContact NZ-O 2.99Å; I188-I192 WeakPolarHBondContact O-CG1 3.39Å; I188-I192 PolarHBondContact O-N 3.3Å; L189-I192 HydrophobicContact CD2-CD1 3.99Å; A190-I192 VanDerWaalsContact C-N 3.34Å; A190-I192 PolarHBondContact O-N 3.31Å; I192-F200 HydrophobicContact CG2-CD2 4.16Å; I192-F200 HydrophobicContact CG2-CE2 3.72Å
193	S	94.3	Very high	93.9	Very high	30 Å²	30	48.6 Å²	48.6	21%	0.21	25%	0.253	C	S	.	.	S	Bend	trans	-117	166.6	-176.4	-63	0	0	0	0	112.9	K43 L189 A190 M191 Y196 N197	K43-S193 VanDerWaalsContact NZ-CA 3.34Å; K43-S193 PolarHBondContact NZ-OG 3.34Å; L189-S193 VanDerWaalsContact O-CB 3.28Å; L189-S193 WeakPolarHBondContact O-CB 3.38Å; L189-S193 PolarHBondContact O-OG 3.19Å; A190-S193 PolarHBondContact O-N 2.65Å; M191-S193 PolarHBondContact O-N 3.23Å; S193-Y196 WeakPolarHBondContact O-CA 3.47Å; S193-Y196 PolarHBondContact O-N 2.92Å; S193-N197 PolarHBondContact O-N 3.38Å
194	E	89.8	Confident	93.9	Very high	167 Å²	167	48.4 Å²	48.4	78%	0.78	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	138.1	174.4	-63.5	-170.7	163.5	0	0	109.7
195	P	89.8	Confident	93.9	Very high	106 Å²	106	55.2 Å²	55.2	69%	0.688	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.1	-13.8	8.2	34	-37.1	0	0	0	115.2	N197	P195-N197 PolarHBondContact O-ND2 2.94Å
196	Y	91.9	Very high	93.9	Very high	82 Å²	82	55.7 Å²	55.7	32%	0.322	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-48.2	-164.2	-60.3	-69.8	0	0	0	115.2	C147 L165 M191 S193 H198	C147-Y196 WeakPolarHBondContact SG-CE1 3.42Å; L165-Y196 HydrophobicContact CD2-CE2 3.82Å; M191-Y196 VanDerWaalsContact O-CB 3.32Å; M191-Y196 WeakPolarHBondContact O-CB 3.5Å; S193-Y196 WeakPolarHBondContact O-CA 3.47Å; S193-Y196 PolarHBondContact O-N 2.92Å; Y196-H198 PolarHBondContact O-N 2.84Å
197	N	92.6	Very high	93.8	Very high	92 Å²	92	56.3 Å²	56.3	49%	0.492	28%	0.282	S	S	.	.			trans	50.3	36.8	-178.8	-59.8	-68.4	0	0	0	114.7	M191 S193 P195	M191-N197 PolarHBondContact O-N 2.98Å; S193-N197 PolarHBondContact O-N 3.38Å; P195-N197 PolarHBondContact O-ND2 2.94Å
198	H	94.1	Very high	93.2	Very high	34 Å²	34	62.8 Å²	62.8	16%	0.157	31%	0.308	C	S	.	.			trans	-60.3	147	179.4	-175.2	61.9	0	0	0	112.3	E142 C146 M191 Y196 F200	E142-H198 IonicContact OE2-CD2 2.76Å; E142-H198 IonicContact OE2-CE1 2.63Å; E142-H198 PolarHBondContact OE2-CE1 3.21Å; E142-H198 IonicContact OE2-NE2 2.67Å; E142-H198 PolarHBondContact OE2-NE2 3.07Å; C146-H198 HydrophobicContact CB-CB 4.19Å; M191-H198 HydrophobicContact CB-CB 4.13Å; M191-H198 VanDerWaalsContact O-CB 3.26Å; M191-H198 WeakPolarHBondContact O-CB 3.49Å; M191-H198 PolarHBondContact O-N 2.61Å; Y196-H198 PolarHBondContact O-N 2.84Å; H198-F200 AromaticContact CD2-CE2 3.94Å; H198-F200 AromaticContact CD2-CZ 3.94Å
199	R	93	Very high	92.7	Very high	148 Å²	148	70.1 Å²	70.1	56%	0.558	34%	0.339	S	S	*	.			trans	-131.3	103.9	177.7	-172.5	170.8	-179.9	-109.2	4.4	112	S4 S201	S4-R199 VanDerWaalsContact OG-CZ 3.3Å; S4-R199 PolarHBondContact OG-NE 3.49Å; S4-R199 PolarHBondContact OG-NH2 2.87Å; R199-S201 PolarHBondContact O-N 2.92Å; R199-S201 VanDerWaalsContact O-N 3.15Å; R199-S201 PolarHBondContact O-OG 2.85Å; R199-S201 VanDerWaalsContact O-OG 3.05Å
200	F	93.9	Very high	92.4	Very high	1 Å²	1	69.7 Å²	69.7	0%	0.004	34%	0.336	C	S	.	.			trans	-50.3	117.2	173.4	-64.5	-84.3	0	0	0	111	S4 L8 L40 F137 E142 I188 M191 I192 H198	S4-F200 WeakPolarHBondContact CA-O 3.43Å; S4-F200 WeakPolarHBondContact CB-O 3.22Å; L8-F200 HydrophobicContact CD1-CD1 3.94Å; L8-F200 HydrophobicContact CD1-CD2 3.78Å; L8-F200 HydrophobicContact CD1-CE1 3.91Å; L8-F200 HydrophobicContact CD1-CE2 3.77Å; L8-F200 HydrophobicContact CD1-CG 3.87Å; L8-F200 HydrophobicContact CD1-CZ 3.84Å; L40-F200 HydrophobicContact CD1-CD2 4.2Å; L40-F200 HydrophobicContact CD2-CD2 4.5Å; F137-F200 HydrophobicContact CB-CD1 4.28Å; F137-F200 HydrophobicContact CD1-CB 4.4Å; F137-F200 HydrophobicContact CD1-CD1 4.02Å; F137-F200 HydrophobicContact CD2-CB 4.36Å; F137-F200 HydrophobicContact CD2-CD1 4.32Å; F137-F200 HydrophobicContact CE1-CB 4.02Å; F137-F200 HydrophobicContact CE1-CD1 4.46Å; F137-F200 HydrophobicContact CE2-CB 3.96Å; F137-F200 AromaticContact CG-CD1 3.94Å; F137-F200 HydrophobicContact CG-CD1 3.94Å; F137-F200 HydrophobicContact CZ-CB 3.77Å; E142-F200 HydrophobicContact CB-CD1 4.27Å; E142-F200 HydrophobicContact CB-CE1 3.78Å; E142-F200 HydrophobicContact CG-CD1 3.82Å; E142-F200 HydrophobicContact CG-CE1 3.79Å; I188-F200 HydrophobicContact CG1-CZ 4.16Å; I188-F200 HydrophobicContact CG2-CE2 3.98Å; I188-F200 HydrophobicContact CG2-CZ 4.15Å; M191-F200 HydrophobicContact CE-CE1 4.19Å; M191-F200 HydrophobicContact CE-CZ 3.85Å; M191-F200 HydrophobicContact SD-CZ 4.47Å; I192-F200 HydrophobicContact CG2-CD2 4.16Å; I192-F200 HydrophobicContact CG2-CE2 3.72Å; H198-F200 AromaticContact CD2-CE2 3.94Å; H198-F200 AromaticContact CD2-CZ 3.94Å
201	S	91.6	Very high	91.9	Very high	49 Å²	49	73.9 Å²	73.9	34%	0.343	35%	0.352	S	S	.	.			trans	-158.1	149.1	-178.1	50.2	0	0	0	0	110.5	R199	R199-S201 PolarHBondContact O-N 2.92Å; R199-S201 VanDerWaalsContact O-N 3.15Å; R199-S201 PolarHBondContact O-OG 2.85Å; R199-S201 VanDerWaalsContact O-OG 3.05Å
202	D	91.1	Very high	91.3	Very high	119 Å²	119	76.3 Å²	76.3	64%	0.636	37%	0.369	S	S	*	.	S	Bend	trans	55.4	67.7	-170.7	-152.4	42	0	0	0	114.4
203	P	94.7	Very high	90.4	Very high	20 Å²	20	76.7 Å²	76.7	13%	0.13	38%	0.377	C	S	.	.			trans	-65	149.6	177.6	27.6	-33.9	0	0	0	111.9	S135 F136 F137	S135-P203 WeakPolarHBondContact OG-CG 3.49Å; F136-P203 CarbonylContact O-C 3.56Å; F136-P203 WeakPolarHBondContact O-CB 3.4Å; F137-P203 HydrophobicContact CD1-CB 4.14Å; F137-P203 HydrophobicContact CD2-CB 4.11Å; F137-P203 HydrophobicContact CE1-CB 3.81Å; F137-P203 HydrophobicContact CE1-CG 4.5Å; F137-P203 HydrophobicContact CE2-CB 3.79Å; F137-P203 HydrophobicContact CE2-CG 4.32Å; F137-P203 HydrophobicContact CG-CB 4.29Å; F137-P203 HydrophobicContact CZ-CB 3.64Å; F137-P203 HydrophobicContact CZ-CG 4.02Å
204	E	95.3	Very high	89.6	Confident	37 Å²	37	78.7 Å²	78.7	17%	0.173	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	156.7	169.6	-79.6	-163	-135.9	0	0	111.5	R115 S135 F136 K141	R115-E204 IonicContact CZ-OE2 3.73Å; R115-E204 IonicContact NE-OE2 3.99Å; R115-E204 PolarHBondContact NE-OE2 2.79Å; R115-E204 IonicContact NH2-OE2 3.46Å; R115-E204 PolarHBondContact NH2-OE2 3.38Å; S135-E204 CarbonylContact C-O 3.49Å; S135-E204 WeakPolarHBondContact CA-O 3.4Å; S135-E204 WeakPolarHBondContact CB-O 3.48Å; S135-E204 PolarHBondContact OG-O 3Å; F136-E204 HydrophobicContact CD1-CB 4.2Å; F136-E204 HydrophobicContact CD2-CB 4.43Å; F136-E204 HydrophobicContact CE1-CB 3.79Å; F136-E204 HydrophobicContact CE2-CB 4.02Å; F136-E204 HydrophobicContact CE2-CG 4.48Å; F136-E204 HydrophobicContact CZ-CB 3.68Å; F136-E204 HydrophobicContact CZ-CG 4.3Å; F136-E204 WeakPolarHBondContact CZ-OE2 3.37Å; F136-E204 PolarHBondContact N-O 2.75Å; F136-E204 WeakPolarHBondContact O-CB 3.44Å; F136-E204 PolarHBondContact O-N 3.34Å; K141-E204 WeakPolarHBondContact CD-OE1 3.17Å; K141-E204 WeakPolarHBondContact CE-OE1 3.32Å; K141-E204 IonicContact NZ-OE1 2.72Å; K141-E204 PolarHBondContact NZ-OE1 2.84Å
205	R	95.2	Very high	89.1	Confident	144 Å²	144	71 Å²	71	54%	0.543	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	151.2	-178.9	-65.2	-176.3	177.1	-148.6	-8.5	112.6	R115 Y134 N249	R115-R205 PolarHBondContact NH1-O 3.26Å; R115-R205 PolarHBondContact NH2-O 2.87Å; Y134-R205 CarbonylContact O-C 3.55Å; Y134-R205 VanDerWaalsContact O-CA 3.31Å; Y134-R205 WeakPolarHBondContact O-CA 3.41Å; R205-N249 PolarHBondContact O-ND2 3.22Å
206	V	96.1	Very high	88.5	Confident	9 Å²	9	68.7 Å²	68.7	6%	0.055	34%	0.339	C	S	.	.			trans	-115.5	134.3	168.7	-169.8	0	0	0	0	109.1	V114 Y134 F136 Y208 N249	V114-V206 HydrophobicContact CG1-CG2 3.89Å; Y134-V206 HydrophobicContact CD1-CB 4.27Å; Y134-V206 WeakPolarHBondContact CD1-O 3.28Å; Y134-V206 PolarHBondContact O-N 2.83Å; F136-V206 HydrophobicContact CE1-CG2 4.18Å; V206-Y208 PolarHBondContact O-N 3.28Å; V206-N249 WeakPolarHBondContact CA-OD1 3.16Å
207	N	92.4	Very high	87.9	Confident	72 Å²	72	71 Å²	71	39%	0.385	35%	0.351	S	S	.	.			trans	-71.2	124.4	-178.8	-69.8	-1.8	0	0	0	111.2	K209 K246 N249	N207-K209 VanDerWaalsContact C-N 3.35Å; N207-K209 PolarHBondContact O-N 2.96Å; N207-K246 PolarHBondContact O-NZ 2.61Å; N207-N249 PolarHBondContact N-OD1 3.42Å
208	Y	84.3	Confident	87.1	Confident	136 Å²	136	75 Å²	75	53%	0.533	37%	0.369	S	S	.	.	S	Bend	trans	-61.1	-42.9	-178.4	-171.6	-105.4	0	0	0	112.1	Y134 V206 K246	Y134-Y208 HydrophobicContact CD1-CD2 4.01Å; Y134-Y208 HydrophobicContact CD2-CD2 4.38Å; Y134-Y208 AromaticContact CE1-CD2 3.51Å; Y134-Y208 HydrophobicContact CE1-CD2 3.51Å; Y134-Y208 HydrophobicContact CE1-CE2 4.25Å; Y134-Y208 HydrophobicContact CE1-CG 4.33Å; Y134-Y208 AromaticContact CE2-CD2 3.9Å; Y134-Y208 HydrophobicContact CE2-CD2 3.9Å; Y134-Y208 HydrophobicContact CE2-CE2 4.05Å; Y134-Y208 HydrophobicContact CG-CD2 4.43Å; Y134-Y208 AromaticContact CZ-CD2 3.45Å; Y134-Y208 VanDerWaalsContact CZ-CD2 3.45Å; Y134-Y208 AromaticContact CZ-CE2 3.73Å; V206-Y208 PolarHBondContact O-N 3.28Å; Y208-K246 PolarHBondContact O-NZ 3.13Å
209	K	85.8	Confident	86.5	Confident	153 Å²	153	76.7 Å²	76.7	67%	0.665	38%	0.376	S	S	*	.	S	Bend	trans	-129.3	159.4	174.7	-70.6	171.7	-177.3	175.6	0	110.2	N207	N207-K209 VanDerWaalsContact C-N 3.35Å; N207-K209 PolarHBondContact O-N 2.96Å
210	F	88.7	Confident	86	Confident	25 Å²	25	77.5 Å²	77.5	11%	0.11	39%	0.391	C	S	.	.			trans	-87	132.3	166.1	165.2	-105.2	0	0	0	109.9	D238 Q239 A242 I250 A251 A255	F210-D238 HydrophobicContact CD1-CB 4.49Å; F210-D238 HydrophobicContact CE1-CB 3.8Å; F210-Q239 PolarHBondContact O-NE2 3.44Å; F210-A242 HydrophobicContact CB-CB 3.45Å; F210-A242 VanDerWaalsContact CB-CB 3.45Å; F210-A242 HydrophobicContact CD1-CB 4.11Å; F210-A242 HydrophobicContact CG-CB 3.79Å; F210-I250 HydrophobicContact CD2-CB 3.92Å; F210-I250 HydrophobicContact CD2-CD1 4.44Å; F210-I250 HydrophobicContact CD2-CG2 3.88Å; F210-I250 HydrophobicContact CE2-CB 4.14Å; F210-I250 HydrophobicContact CE2-CG2 3.56Å; F210-A251 WeakPolarHBondContact CE2-O 3.38Å; F210-A255 HydrophobicContact CE1-CB 4.22Å; F210-A255 HydrophobicContact CE2-CB 4.24Å; F210-A255 HydrophobicContact CZ-CB 3.69Å
211	E	85.3	Confident	85.7	Confident	111 Å²	111	78.4 Å²	78.4	52%	0.519	40%	0.395	S	S	.	.			trans	-93.3	104.6	176.5	-66.2	-176.1	-152.8	0	0	110.9	K252 G253	E211-K252 HydrophobicContact CB-CB 4.27Å; E211-K252 HydrophobicContact CB-CD 4.43Å; E211-K252 HydrophobicContact CB-CG 3.89Å; E211-K252 WeakPolarHBondContact O-CA 3.4Å; E211-K252 VanDerWaalsContact OE2-CD 3.28Å; E211-K252 WeakPolarHBondContact OE2-CD 3.43Å; E211-K252 WeakPolarHBondContact OE2-CE 3.41Å; E211-K252 IonicContact OE2-NZ 2.76Å; E211-K252 PolarHBondContact OE2-NZ 3.41Å; E211-G253 PolarHBondContact O-N 2.96Å
212	S	81.8	Confident	85.7	Confident	52 Å²	52	80.3 Å²	80.3	36%	0.364	40%	0.402	S	S	.	.			trans	-62.1	142.9	166.8	-50.6	0	0	0	0	110.2	D238	S212-D238 WeakPolarHBondContact CB-OD2 3.4Å; S212-D238 PolarHBondContact OG-OD2 3Å
213	G	77.1	Confident	85.7	Confident	24 Å²	24	78.3 Å²	78.3	25%	0.247	39%	0.391	C	S	.	.			trans	-179.6	175.2	-176.5	0	0	0	0	0	113.2	G253 A406	G213-G253 WeakPolarHBondContact O-CA 3.44Å; G213-A406 VanDerWaalsContact O-CB 3.26Å; G213-A406 WeakPolarHBondContact O-CB 3.43Å
214	T	77.4	Confident	85.7	Confident	72 Å²	72	80.4 Å²	80.4	44%	0.442	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-89	137.4	175.9	49.2	0	0	0	0	112	L320 A406	T214-L320 HydrophobicContact CG2-CB 3.84Å; T214-L320 HydrophobicContact CG2-CD1 3.43Å; T214-L320 VanDerWaalsContact CG2-CD1 3.43Å; T214-L320 HydrophobicContact CG2-CG 4.29Å; T214-A406 HydrophobicContact CG2-CB 4.03Å
215	C	79.6	Confident	85.7	Confident	5 Å²	5	79.1 Å²	79.1	3%	0.034	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	146.1	160.3	179.5	0	0	0	0	109.8	E219 F305 A309 G311	C215-E219 PolarHBondContact SG-OE2 3.12Å; C215-F305 HydrophobicContact CB-CE1 3.94Å; C215-A309 HydrophobicContact CB-CB 4.44Å; C215-A309 WeakPolarHBondContact CB-O 3.3Å; C215-G311 PolarHBondContact O-N 2.98Å
216	S	77.6	Confident	85.9	Confident	58 Å²	58	72.3 Å²	72.3	41%	0.406	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	140.2	177.1	176.1	0	0	0	0	110.4	M218 E219 L306	S216-M218 PolarHBondContact O-N 3.02Å; S216-M218 VanDerWaalsContact O-N 3.13Å; S216-M218 PolarHBondContact OG-N 3.46Å; S216-E219 VanDerWaalsContact O-CB 3.24Å; S216-E219 WeakPolarHBondContact O-CB 3.27Å; S216-E219 PolarHBondContact O-N 3.09Å; S216-L306 WeakPolarHBondContact O-CD2 3.47Å
217	K	77.6	Confident	86	Confident	130 Å²	130	71.9 Å²	71.9	57%	0.565	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.5	173.6	-163.5	172.1	179.3	179.2	0	113.8	G311 T312	K217-G311 PolarHBondContact N-O 2.66Å; K217-T312 HydrophobicContact CB-CG2 3.56Å; K217-T312 HydrophobicContact CD-CG2 3.61Å; K217-T312 HydrophobicContact CG-CG2 4.17Å
218	M	76.9	Confident	86.2	Confident	177 Å²	177	72.1 Å²	72.1	87%	0.872	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-0.7	173.2	-68.5	178.4	170.3	0	0	113.3	S216	S216-M218 PolarHBondContact O-N 3.02Å; S216-M218 VanDerWaalsContact O-N 3.13Å; S216-M218 PolarHBondContact OG-N 3.46Å
219	E	80.7	Confident	86.9	Confident	68 Å²	68	65.8 Å²	65.8	32%	0.318	34%	0.339	S	S	.	.			trans	-76.9	129	179.7	-161.6	-177.1	165.7	0	0	110.8	C215 S216 I221 R272	C215-E219 PolarHBondContact SG-OE2 3.12Å; S216-E219 VanDerWaalsContact O-CB 3.24Å; S216-E219 WeakPolarHBondContact O-CB 3.27Å; S216-E219 PolarHBondContact O-N 3.09Å; E219-I221 PolarHBondContact O-N 2.75Å; E219-R272 IonicContact OE1-CZ 3.24Å; E219-R272 IonicContact OE1-NH1 3.39Å; E219-R272 PolarHBondContact OE1-NH1 2.96Å; E219-R272 IonicContact OE1-NH2 2.82Å; E219-R272 PolarHBondContact OE1-NH2 3.15Å; E219-R272 IonicContact OE2-NH1 3.93Å; E219-R272 PolarHBondContact OE2-NH1 3.33Å
220	L	83.3	Confident	87.4	Confident	166 Å²	166	62.7 Å²	62.7	87%	0.869	32%	0.323	S	S	*	.			trans	-78	118.9	172.5	-63.2	178.6	0	0	0	109.2
221	I	87.8	Confident	87.7	Confident	19 Å²	19	62.3 Å²	62.3	10%	0.097	33%	0.327	C	S	.	.			trans	-112.4	122.3	176.8	-54.8	-175.8	0	0	0	107.7	E219 D223 V226 R272 F305 L306	E219-I221 PolarHBondContact O-N 2.75Å; I221-D223 PolarHBondContact O-N 3.18Å; I221-V226 HydrophobicContact CG2-CG2 3.87Å; I221-R272 HydrophobicContact CG2-CG 4.27Å; I221-F305 HydrophobicContact CD1-CB 4.26Å; I221-F305 HydrophobicContact CD1-CD1 3.44Å; I221-F305 VanDerWaalsContact CD1-CD1 3.44Å; I221-F305 HydrophobicContact CD1-CE1 4.16Å; I221-F305 HydrophobicContact CD1-CG 4.15Å; I221-L306 HydrophobicContact CD1-CD1 4.47Å; I221-L306 HydrophobicContact CD1-CD2 3.67Å; I221-L306 HydrophobicContact CD1-CG 3.75Å; I221-L306 HydrophobicContact CG1-CD1 4.48Å; I221-L306 HydrophobicContact CG1-CD2 4.24Å; I221-L306 HydrophobicContact CG1-CG 4.26Å
222	D	91.1	Very high	88.1	Confident	89 Å²	89	57.2 Å²	57.2	48%	0.476	30%	0.303	S	S	.	.			trans	-65.2	123.2	171.7	173	8.6	0	0	0	109.7	N224 T225	D222-N224 PolarHBondContact O-N 2.7Å; D222-N224 VanDerWaalsContact O-N 3.1Å; D222-N224 WeakPolarHBondContact OD1-CB 3.24Å; D222-N224 PolarHBondContact OD1-N 3.34Å; D222-T225 HydrophobicContact CB-CG2 3.86Å; D222-T225 PolarHBondContact O-N 2.89Å; D222-T225 PolarHBondContact O-OG1 3.02Å
223	D	91.7	Very high	88.5	Confident	78 Å²	78	56.8 Å²	56.8	42%	0.417	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-55.5	-26.1	177.6	-72.6	-32.8	0	0	0	112.6	I221 T225 T301 G302	I221-D223 PolarHBondContact O-N 3.18Å; D223-T225 VanDerWaalsContact C-N 3.27Å; D223-T225 PolarHBondContact O-N 3.36Å; D223-T301 HydrophobicContact CB-CG2 4.35Å; D223-T301 WeakPolarHBondContact OD1-CA 3.34Å; D223-T301 WeakPolarHBondContact OD1-CB 3.49Å; D223-G302 WeakPolarHBondContact OD1-CA 3.33Å; D223-G302 PolarHBondContact OD1-N 3.34Å
224	N	94	Very high	88.9	Confident	64 Å²	64	64.6 Å²	64.6	34%	0.342	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-78.8	-3.2	176.8	-84.7	-27.7	0	0	0	115.2	D222 E276 R279	D222-N224 PolarHBondContact O-N 2.7Å; D222-N224 VanDerWaalsContact O-N 3.1Å; D222-N224 WeakPolarHBondContact OD1-CB 3.24Å; D222-N224 PolarHBondContact OD1-N 3.34Å; N224-E276 HydrophobicContact CB-CB 4.01Å; N224-E276 VanDerWaalsContact CB-CD 3.45Å; N224-E276 HydrophobicContact CB-CG 4Å; N224-E276 WeakPolarHBondContact CB-OE1 3.42Å; N224-E276 VanDerWaalsContact CG-CD 3.46Å; N224-E276 PolarHBondContact ND2-OE1 3.44Å; N224-E276 PolarHBondContact ND2-OE2 2.79Å; N224-E276 WeakPolarHBondContact O-CA 3.37Å; N224-E276 PolarHBondContact OD1-OE1 3.16Å; N224-R279 VanDerWaalsContact CA-NH1 3.28Å; N224-R279 VanDerWaalsContact O-CB 3.25Å; N224-R279 WeakPolarHBondContact O-CB 3.39Å; N224-R279 WeakPolarHBondContact O-CG 3.28Å; N224-R279 PolarHBondContact O-NE 3.46Å; N224-R279 PolarHBondContact O-NH1 3Å; N224-R279 PolarHBondContact OD1-NH1 3.39Å
225	T	96.5	Very high	89.1	Confident	10 Å²	10	69.2 Å²	69.2	6%	0.061	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-96.1	-4	-179.2	63.4	0	0	0	0	115	D222 D223 F273	D222-T225 HydrophobicContact CB-CG2 3.86Å; D222-T225 PolarHBondContact O-N 2.89Å; D222-T225 PolarHBondContact O-OG1 3.02Å; D223-T225 VanDerWaalsContact C-N 3.27Å; D223-T225 PolarHBondContact O-N 3.36Å; T225-F273 PolarHBondContact O-N 3.49Å
226	V	97.4	Very high	89.6	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	140.4	-169.4	-169.2	0	0	0	0	113.4	I221 L270 V271 R272 R279 A300 F305	I221-V226 HydrophobicContact CG2-CG2 3.87Å; V226-L270 HydrophobicContact CG1-CD2 4.27Å; V226-V271 CarbonylContact C-O 3.55Å; V226-V271 WeakPolarHBondContact CA-O 3.44Å; V226-R272 HydrophobicContact CG2-CB 4.24Å; V226-R272 HydrophobicContact CG2-CG 4.41Å; V226-R279 WeakPolarHBondContact O-CG 3.27Å; V226-A300 HydrophobicContact CG1-CB 4.08Å; V226-A300 PolarHBondContact O-N 3.37Å; V226-A300 VanDerWaalsContact O-N 3.16Å; V226-F305 HydrophobicContact CG1-CB 4.18Å; V226-F305 HydrophobicContact CG1-CD2 4.25Å; V226-F305 HydrophobicContact CG2-CB 4.25Å
227	V	98.3	Very high	90.1	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	154.3	164.4	-57.2	0	0	0	0	111.9	F245 L270 V271 F273 R279 A282 L283 V297 Y298	V227-F245 HydrophobicContact CG2-CZ 4.15Å; V227-L270 WeakPolarHBondContact O-CA 3.49Å; V227-V271 HydrophobicContact CG2-CB 3.9Å; V227-V271 PolarHBondContact N-O 2.97Å; V227-V271 PolarHBondContact O-N 3.05Å; V227-F273 HydrophobicContact CG1-CE2 4.12Å; V227-F273 HydrophobicContact CG2-CE2 3.76Å; V227-F273 HydrophobicContact CG2-CZ 4.43Å; V227-R279 HydrophobicContact CG1-CG 3.77Å; V227-A282 HydrophobicContact CG1-CB 4.14Å; V227-L283 HydrophobicContact CG1-CD2 4.09Å; V227-L283 HydrophobicContact CG1-CG 4.41Å; V227-V297 HydrophobicContact CB-CG1 3.74Å; V227-V297 HydrophobicContact CG1-CG1 3.98Å; V227-V297 HydrophobicContact CG2-CG1 3.87Å; V227-Y298 CarbonylContact C-O 3.5Å; V227-Y298 WeakPolarHBondContact CA-O 3.41Å; V227-Y298 VanDerWaalsContact CB-O 3.3Å; V227-Y298 WeakPolarHBondContact CB-O 3.02Å
228	R	97.8	Very high	90.6	Very high	78 Å²	78	60.9 Å²	60.9	29%	0.294	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	118.2	163.5	-175.4	171.3	179	154.3	0.3	109	R230 E268 A269 L270 Y298 A300	R228-R230 HydrophobicContact CG-CG 4.29Å; R228-E268 IonicContact CZ-OE1 3.93Å; R228-E268 IonicContact CZ-OE2 3.49Å; R228-E268 IonicContact NE-OE1 2.93Å; R228-E268 PolarHBondContact NE-OE1 3.35Å; R228-E268 IonicContact NH2-OE1 3.21Å; R228-E268 PolarHBondContact NH2-OE1 3.01Å; R228-E268 IonicContact NH2-OE2 2.86Å; R228-E268 PolarHBondContact NH2-OE2 3.18Å; R228-A269 CarbonylContact C-O 3.56Å; R228-A269 WeakPolarHBondContact CA-O 3.18Å; R228-L270 HydrophobicContact CB-CD2 3.74Å; R228-L270 HydrophobicContact CG-CD2 4.11Å; R228-Y298 PolarHBondContact N-O 2.9Å; R228-Y298 PolarHBondContact O-N 2.87Å; R228-A300 HydrophobicContact CB-CB 4.01Å
229	A	97.9	Very high	91.2	Very high	2 Å²	2	54.6 Å²	54.6	2%	0.017	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	135.1	171.4	0	0	0	0	0	109.6	L232 F245 E268 A269 I295 E296	A229-L232 HydrophobicContact CB-CD1 3.9Å; A229-L232 WeakPolarHBondContact O-CD1 3.46Å; A229-F245 HydrophobicContact CB-CE2 4.43Å; A229-F245 HydrophobicContact CB-CZ 4.45Å; A229-E268 CarbonylContact O-C 3.59Å; A229-E268 VanDerWaalsContact O-CA 3.28Å; A229-E268 WeakPolarHBondContact O-CA 3.49Å; A229-A269 PolarHBondContact N-O 3.22Å; A229-A269 PolarHBondContact O-N 3.28Å; A229-I295 HydrophobicContact CB-CG2 3.97Å; A229-E296 CarbonylContact C-O 3.6Å; A229-E296 WeakPolarHBondContact CA-O 3.47Å
230	R	96.7	Very high	91.7	Very high	88 Å²	88	53.1 Å²	53.1	33%	0.332	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	162.3	177.8	-45	-172.4	-173.1	157.3	-0.2	111.6	R228 G267 E268 I295 E296 Y298	R228-R230 HydrophobicContact CG-CG 4.29Å; R230-G267 CarbonylContact C-O 3.53Å; R230-E268 HydrophobicContact CB-CG 4.19Å; R230-E268 VanDerWaalsContact CD-OE1 3.31Å; R230-E268 WeakPolarHBondContact CD-OE1 3.22Å; R230-E268 HydrophobicContact CG-CG 4.06Å; R230-E268 WeakPolarHBondContact CG-OE1 3.48Å; R230-E268 IonicContact NE-OE1 2.67Å; R230-E268 PolarHBondContact NE-OE1 3.38Å; R230-I295 WeakPolarHBondContact O-CA 3.39Å; R230-E296 HydrophobicContact CB-CB 4.23Å; R230-E296 PolarHBondContact N-O 3.5Å; R230-E296 PolarHBondContact O-N 3.24Å; R230-Y298 HydrophobicContact CG-CD2 4.35Å; R230-Y298 HydrophobicContact CG-CE2 4.33Å
231	G	94.6	Very high	92.3	Very high	18 Å²	18	45.3 Å²	45.3	19%	0.186	22%	0.217	C	C	.	.	S	Bend	trans	90	-1.4	179.3	0	0	0	0	0	114.3	G267 R293	G231-G267 PolarHBondContact N-O 3.14Å; G231-R293 PolarHBondContact O-NE 3.03Å; G231-R293 PolarHBondContact O-NH2 3.06Å
232	L	94.4	Very high	92.6	Very high	4 Å²	4	45 Å²	45	2%	0.021	22%	0.217	C	C	.	.			trans	-53.3	138.7	-176.1	-72.2	72.4	0	0	0	111.8	A229 W234 I241 L257 G267 A269 M290 I295	A229-L232 HydrophobicContact CB-CD1 3.9Å; A229-L232 WeakPolarHBondContact O-CD1 3.46Å; L232-W234 PolarHBondContact O-N 3.13Å; L232-I241 HydrophobicContact CD2-CD1 3.77Å; L232-I241 HydrophobicContact CD2-CG1 3.74Å; L232-L257 HydrophobicContact CD2-CD2 4.39Å; L232-G267 PolarHBondContact N-O 2.97Å; L232-G267 WeakPolarHBondContact O-CA 3.37Å; L232-A269 HydrophobicContact CD2-CB 3.91Å; L232-M290 HydrophobicContact CG-CE 4.44Å; L232-M290 HydrophobicContact CG-SD 4.4Å; L232-I295 HydrophobicContact CB-CD1 4.43Å; L232-I295 HydrophobicContact CD1-CD1 4.18Å; L232-I295 HydrophobicContact CD1-CG2 4.48Å; L232-I295 HydrophobicContact CG-CD1 4.1Å
233	P	90.6	Very high	92.7	Very high	42 Å²	42	46.1 Å²	46.1	27%	0.273	22%	0.215	S	C	.	.			trans	-49.7	137.8	164.8	-22.4	28.9	0	0	0	111.8	Q235 S236 M290 R293	P233-Q235 PolarHBondContact O-N 3.43Å; P233-Q235 VanDerWaalsContact O-N 3.07Å; P233-S236 WeakPolarHBondContact CB-OG 3.26Å; P233-S236 WeakPolarHBondContact CD-OG 3.49Å; P233-S236 VanDerWaalsContact O-CB 3.3Å; P233-S236 WeakPolarHBondContact O-CB 3.34Å; P233-S236 PolarHBondContact O-N 2.68Å; P233-S236 PolarHBondContact O-OG 3.25Å; P233-M290 HydrophobicContact CG-CG 4.44Å; P233-M290 HydrophobicContact CG-SD 4.36Å; P233-R293 HydrophobicContact CG-CB 4.29Å; P233-R293 HydrophobicContact CG-CG 3.97Å
234	W	84.4	Confident	92.9	Very high	188 Å²	188	43.5 Å²	43.5	71%	0.712	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.6	-175.2	-61.5	-38.9	0	0	0	114.8	L232 R265	L232-W234 PolarHBondContact O-N 3.13Å; W234-R265 WeakPolarHBondContact O-CD 3.38Å
235	Q	82.9	Confident	93	Very high	169 Å²	169	40.5 Å²	40.5	79%	0.79	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-10.4	175.1	-60.9	-171.6	29	0	0	113.3	P233	P233-Q235 PolarHBondContact O-N 3.43Å; P233-Q235 VanDerWaalsContact O-N 3.07Å
236	S	88.8	Confident	93	Very high	10 Å²	10	41.7 Å²	41.7	7%	0.07	19%	0.188	C	C	.	.			trans	-57.9	147.3	-176.4	-65.3	0	0	0	0	113	P233 R265 M290	P233-S236 WeakPolarHBondContact CB-OG 3.26Å; P233-S236 WeakPolarHBondContact CD-OG 3.49Å; P233-S236 VanDerWaalsContact O-CB 3.3Å; P233-S236 WeakPolarHBondContact O-CB 3.34Å; P233-S236 PolarHBondContact O-N 2.68Å; P233-S236 PolarHBondContact O-OG 3.25Å; S236-R265 PolarHBondContact O-NH1 3.41Å; S236-M290 PolarHBondContact OG-SD 2.86Å; S236-M290 VanDerWaalsContact OG-SD 3.36Å
237	S	87.9	Confident	92.9	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.014	19%	0.188	C	C	.	.			trans	-116.8	176	-179.9	67.4	0	0	0	0	112.4	Q239 D240 I241	S237-Q239 VanDerWaalsContact C-N 3.29Å; S237-Q239 PolarHBondContact O-N 3.14Å; S237-Q239 PolarHBondContact OG-N 2.69Å; S237-D240 WeakPolarHBondContact CB-OD2 3.43Å; S237-D240 PolarHBondContact N-OD2 3.09Å; S237-D240 PolarHBondContact O-N 3.27Å; S237-D240 VanDerWaalsContact OG-CG 3.31Å; S237-D240 PolarHBondContact OG-N 3.13Å; S237-D240 PolarHBondContact OG-OD2 3.13Å; S237-I241 WeakPolarHBondContact O-CG1 3.33Å; S237-I241 PolarHBondContact O-N 2.95Å; S237-I241 VanDerWaalsContact O-N 3.11Å
238	D	88.7	Confident	92.8	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.037	19%	0.191	C	C	.	.	H	α-helix	trans	-56.9	-39	169.5	55	-17.6	0	0	0	113	F210 S212 D240 I241 A242 A255 R403 T405	F210-D238 HydrophobicContact CD1-CB 4.49Å; F210-D238 HydrophobicContact CE1-CB 3.8Å; S212-D238 WeakPolarHBondContact CB-OD2 3.4Å; S212-D238 PolarHBondContact OG-OD2 3Å; D238-D240 VanDerWaalsContact C-N 3.34Å; D238-D240 PolarHBondContact O-N 2.68Å; D238-I241 WeakPolarHBondContact O-CB 3.49Å; D238-I241 PolarHBondContact O-N 3.4Å; D238-A242 WeakPolarHBondContact O-CB 3.41Å; D238-A242 PolarHBondContact O-N 3.24Å; D238-A255 HydrophobicContact CB-CB 4.05Å; D238-R403 IonicContact OD1-NE 2.72Å; D238-T405 HydrophobicContact CB-CG2 3.69Å
239	Q	89.3	Confident	92.8	Very high	44 Å²	44	39.2 Å²	39.2	21%	0.206	18%	0.18	C	C	.	.	H	α-helix	trans	-71.1	-27	176.8	-65.2	-63.5	-19.4	0	0	113.2	F210 S237 R243 R403	F210-Q239 PolarHBondContact O-NE2 3.44Å; S237-Q239 VanDerWaalsContact C-N 3.29Å; S237-Q239 PolarHBondContact O-N 3.14Å; S237-Q239 PolarHBondContact OG-N 2.69Å; Q239-R243 WeakPolarHBondContact O-CG 3.26Å; Q239-R243 PolarHBondContact O-N 3.16Å; Q239-R403 VanDerWaalsContact CG-NH2 3.34Å
240	D	91.9	Very high	92.7	Very high	38 Å²	38	39.6 Å²	39.6	20%	0.203	18%	0.182	C	C	.	.	H	α-helix	trans	-74	-37.9	173.4	-53.3	-55.4	0	0	0	111.2	S237 D238 R243 F244	S237-D240 WeakPolarHBondContact CB-OD2 3.43Å; S237-D240 PolarHBondContact N-OD2 3.09Å; S237-D240 PolarHBondContact O-N 3.27Å; S237-D240 VanDerWaalsContact OG-CG 3.31Å; S237-D240 PolarHBondContact OG-N 3.13Å; S237-D240 PolarHBondContact OG-OD2 3.13Å; D238-D240 VanDerWaalsContact C-N 3.34Å; D238-D240 PolarHBondContact O-N 2.68Å; D240-R243 PolarHBondContact O-N 2.87Å; D240-R243 IonicContact OD1-CZ 3.32Å; D240-R243 IonicContact OD1-NH1 3.45Å; D240-R243 PolarHBondContact OD1-NH1 2.87Å; D240-R243 IonicContact OD1-NH2 2.77Å; D240-R243 PolarHBondContact OD1-NH2 3.38Å; D240-F244 PolarHBondContact O-N 3.34Å
241	I	94.6	Very high	92.5	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-62.2	-43.9	170.2	-67.5	164.1	0	0	0	110.7	L232 S237 D238 R243 F244 F245 A255 L257 A269 V271 M290	L232-I241 HydrophobicContact CD2-CD1 3.77Å; L232-I241 HydrophobicContact CD2-CG1 3.74Å; S237-I241 WeakPolarHBondContact O-CG1 3.33Å; S237-I241 PolarHBondContact O-N 2.95Å; S237-I241 VanDerWaalsContact O-N 3.11Å; D238-I241 WeakPolarHBondContact O-CB 3.49Å; D238-I241 PolarHBondContact O-N 3.4Å; I241-R243 VanDerWaalsContact C-N 3.32Å; I241-R243 PolarHBondContact O-N 3.49Å; I241-F244 PolarHBondContact O-N 3.35Å; I241-F245 HydrophobicContact CG2-CD2 3.91Å; I241-F245 HydrophobicContact CG2-CE2 4.18Å; I241-F245 WeakPolarHBondContact O-CD2 3Å; I241-F245 PolarHBondContact O-N 2.96Å; I241-A255 HydrophobicContact CG2-CB 4.49Å; I241-L257 HydrophobicContact CD1-CD2 3.7Å; I241-A269 HydrophobicContact CD1-CB 3.56Å; I241-V271 HydrophobicContact CG2-CG1 4.48Å; I241-V271 HydrophobicContact CG2-CG2 3.51Å; I241-M290 HydrophobicContact CG1-CE 4.42Å
242	A	94.5	Very high	92.2	Very high	11 Å²	11	40.3 Å²	40.3	9%	0.091	19%	0.185	C	C	.	.	H	α-helix	trans	-67.1	-29.8	177.8	0	0	0	0	0	113.6	F210 D238 F245 K246 I250	F210-A242 HydrophobicContact CB-CB 3.45Å; F210-A242 VanDerWaalsContact CB-CB 3.45Å; F210-A242 HydrophobicContact CD1-CB 4.11Å; F210-A242 HydrophobicContact CG-CB 3.79Å; D238-A242 WeakPolarHBondContact O-CB 3.41Å; D238-A242 PolarHBondContact O-N 3.24Å; A242-F245 CarbonylContact O-C 3.58Å; A242-K246 PolarHBondContact O-N 3.37Å; A242-K246 VanDerWaalsContact O-N 3.14Å; A242-I250 HydrophobicContact CB-CD1 4.19Å
243	R	93.9	Very high	91.9	Very high	114 Å²	114	40.4 Å²	40.4	43%	0.43	19%	0.187	S	C	.	.	H	α-helix	trans	-71.5	-42.2	169.6	-79.7	-175.3	-103.8	100.6	4.9	111.7	Q239 D240 I241 F245 K246	Q239-R243 WeakPolarHBondContact O-CG 3.26Å; Q239-R243 PolarHBondContact O-N 3.16Å; D240-R243 PolarHBondContact O-N 2.87Å; D240-R243 IonicContact OD1-CZ 3.32Å; D240-R243 IonicContact OD1-NH1 3.45Å; D240-R243 PolarHBondContact OD1-NH1 2.87Å; D240-R243 IonicContact OD1-NH2 2.77Å; D240-R243 PolarHBondContact OD1-NH2 3.38Å; I241-R243 VanDerWaalsContact C-N 3.32Å; I241-R243 PolarHBondContact O-N 3.49Å; R243-F245 VanDerWaalsContact C-N 3.33Å; R243-F245 PolarHBondContact O-N 2.81Å; R243-K246 VanDerWaalsContact O-CB 3.24Å; R243-K246 WeakPolarHBondContact O-CB 3.42Å; R243-K246 PolarHBondContact O-N 3.16Å; R243-K246 VanDerWaalsContact O-N 3.15Å
244	F	95.9	Very high	91.9	Very high	22 Å²	22	38.4 Å²	38.4	10%	0.096	18%	0.175	C	C	.	.	H	α-helix	trans	-61.5	-38.5	175.1	179.7	-93.9	0	0	0	113.1	D240 I241 R285 H288 M290 I295 V297	D240-F244 PolarHBondContact O-N 3.34Å; I241-F244 PolarHBondContact O-N 3.35Å; F244-R285 HydrophobicContact CE1-CB 4.17Å; F244-R285 HydrophobicContact CZ-CB 4.11Å; F244-R285 PolarHBondContact O-NH1 3.1Å; F244-H288 HydrophobicContact CE2-CB 3.7Å; F244-H288 HydrophobicContact CZ-CB 3.84Å; F244-M290 HydrophobicContact CB-CE 3.57Å; F244-M290 HydrophobicContact CD2-CB 4.15Å; F244-M290 HydrophobicContact CD2-CE 4.29Å; F244-M290 HydrophobicContact CG-CE 3.92Å; F244-I295 HydrophobicContact CD2-CG1 4.2Å; F244-I295 HydrophobicContact CE1-CB 4.17Å; F244-I295 HydrophobicContact CE1-CG2 3.94Å; F244-I295 HydrophobicContact CE2-CB 3.86Å; F244-I295 HydrophobicContact CE2-CG1 3.76Å; F244-I295 HydrophobicContact CE2-CG2 4.5Å; F244-I295 HydrophobicContact CZ-CB 3.57Å; F244-I295 HydrophobicContact CZ-CG1 3.99Å; F244-I295 HydrophobicContact CZ-CG2 3.87Å; F244-V297 HydrophobicContact CE1-CG2 4.12Å; F244-V297 HydrophobicContact CZ-CG2 4.49Å
245	F	96.9	Very high	92.3	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	20.8	174.7	-65.8	-63	0	0	0	114.1	V227 A229 I241 A242 R243 G247 L248 I250 V271 F273 A282 R285 V297	V227-F245 HydrophobicContact CG2-CZ 4.15Å; A229-F245 HydrophobicContact CB-CE2 4.43Å; A229-F245 HydrophobicContact CB-CZ 4.45Å; I241-F245 HydrophobicContact CG2-CD2 3.91Å; I241-F245 HydrophobicContact CG2-CE2 4.18Å; I241-F245 WeakPolarHBondContact O-CD2 3Å; I241-F245 PolarHBondContact O-N 2.96Å; A242-F245 CarbonylContact O-C 3.58Å; R243-F245 VanDerWaalsContact C-N 3.33Å; R243-F245 PolarHBondContact O-N 2.81Å; F245-G247 PolarHBondContact O-N 2.66Å; F245-L248 HydrophobicContact CD1-CD1 4.28Å; F245-L248 WeakPolarHBondContact O-CB 3.18Å; F245-L248 PolarHBondContact O-N 2.71Å; F245-L248 VanDerWaalsContact O-N 3.07Å; F245-I250 HydrophobicContact CB-CD1 4.24Å; F245-V271 HydrophobicContact CD2-CG1 4.25Å; F245-V271 HydrophobicContact CD2-CG2 4.34Å; F245-V271 HydrophobicContact CE2-CB 4.4Å; F245-V271 HydrophobicContact CE2-CG1 4.48Å; F245-V271 HydrophobicContact CE2-CG2 3.96Å; F245-F273 HydrophobicContact CB-CE1 4.09Å; F245-F273 HydrophobicContact CB-CZ 4.2Å; F245-F273 AromaticContact CD1-CZ 3.93Å; F245-F273 HydrophobicContact CD1-CZ 3.93Å; F245-F273 HydrophobicContact CD2-CZ 4.2Å; F245-F273 HydrophobicContact CE1-CZ 4.35Å; F245-F273 HydrophobicContact CG-CE1 4.26Å; F245-F273 AromaticContact CG-CZ 3.86Å; F245-F273 HydrophobicContact CG-CZ 3.86Å; F245-A282 HydrophobicContact CD1-CB 3.86Å; F245-A282 HydrophobicContact CE1-CB 3.66Å; F245-R285 VanDerWaalsContact C-NH1 3.28Å; F245-V297 HydrophobicContact CE1-CG1 4.34Å; F245-V297 HydrophobicContact CE1-CG2 4.21Å; F245-V297 HydrophobicContact CZ-CG1 4.11Å; F245-V297 HydrophobicContact CZ-CG2 4.04Å
246	K	95.4	Very high	92.7	Very high	35 Å²	35	21.7 Å²	21.7	15%	0.152	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	140	-179.9	-167.2	60.5	175.6	173.4	0	111.2	H119 P120 N207 Y208 A242 R243 R285	H119-K246 HydrophobicContact CB-CG 4.21Å; P120-K246 WeakPolarHBondContact CG-O 3.16Å; N207-K246 PolarHBondContact O-NZ 2.61Å; Y208-K246 PolarHBondContact O-NZ 3.13Å; A242-K246 PolarHBondContact O-N 3.37Å; A242-K246 VanDerWaalsContact O-N 3.14Å; R243-K246 VanDerWaalsContact O-CB 3.24Å; R243-K246 WeakPolarHBondContact O-CB 3.42Å; R243-K246 PolarHBondContact O-N 3.16Å; R243-K246 VanDerWaalsContact O-N 3.15Å; K246-R285 PolarHBondContact O-NH1 2.98Å; K246-R285 PolarHBondContact O-NH2 2.81Å
247	G	95.2	Very high	92.9	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.01	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.9	-21.4	-169.7	0	0	0	0	0	113.8	R115 H119 F245	R115-G247 WeakPolarHBondContact CG-O 3.33Å; R115-G247 PolarHBondContact NH1-O 3.45Å; H119-G247 VanDerWaalsContact CB-CA 3.44Å; F245-G247 PolarHBondContact O-N 2.66Å
248	L	97.3	Very high	93.1	Very high	10 Å²	10	22 Å²	22	5%	0.052	11%	0.107	C	C	.	.	S	Bend	trans	-105.8	135.6	177.1	-49.3	179.3	0	0	0	109.7	R115 F245 I250 F273 H278 L281 A282	R115-L248 HydrophobicContact CB-CD2 4.12Å; F245-L248 HydrophobicContact CD1-CD1 4.28Å; F245-L248 WeakPolarHBondContact O-CB 3.18Å; F245-L248 PolarHBondContact O-N 2.71Å; F245-L248 VanDerWaalsContact O-N 3.07Å; L248-I250 PolarHBondContact O-N 2.92Å; L248-F273 HydrophobicContact CB-CD1 3.97Å; L248-F273 HydrophobicContact CB-CE1 3.72Å; L248-F273 HydrophobicContact CD1-CE1 4.24Å; L248-F273 HydrophobicContact CD1-CZ 4.48Å; L248-H278 HydrophobicContact CB-CB 4.47Å; L248-L281 HydrophobicContact CD1-CB 4.11Å; L248-L281 HydrophobicContact CD2-CB 3.6Å; L248-L281 HydrophobicContact CD2-CD1 3.59Å; L248-L281 HydrophobicContact CD2-CG 4.28Å; L248-A282 HydrophobicContact CD1-CB 3.77Å
249	N	96.4	Very high	93	Very high	14 Å²	14	22.6 Å²	22.6	8%	0.075	11%	0.11	C	C	.	.			trans	-84.8	100.9	-177	-62.2	-15.5	0	0	0	110	R205 V206 N207 F273 V274 H278	R205-N249 PolarHBondContact O-ND2 3.22Å; V206-N249 WeakPolarHBondContact CA-OD1 3.16Å; N207-N249 PolarHBondContact N-OD1 3.42Å; N249-F273 WeakPolarHBondContact O-CA 3.49Å; N249-V274 HydrophobicContact CB-CG1 4.18Å; N249-V274 HydrophobicContact CB-CG2 3.69Å; N249-V274 PolarHBondContact O-N 2.71Å; N249-H278 PolarHBondContact N-ND1 3.26Å
250	I	95.8	Very high	92.9	Very high	10 Å²	10	22.6 Å²	22.6	5%	0.051	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	139.8	165.2	-52.8	174.9	0	0	0	108.5	F210 A242 F245 L248 G254 V271 R272 F273	F210-I250 HydrophobicContact CD2-CB 3.92Å; F210-I250 HydrophobicContact CD2-CD1 4.44Å; F210-I250 HydrophobicContact CD2-CG2 3.88Å; F210-I250 HydrophobicContact CE2-CB 4.14Å; F210-I250 HydrophobicContact CE2-CG2 3.56Å; A242-I250 HydrophobicContact CB-CD1 4.19Å; F245-I250 HydrophobicContact CB-CD1 4.24Å; L248-I250 PolarHBondContact O-N 2.92Å; I250-G254 WeakPolarHBondContact CG2-O 3.22Å; I250-V271 HydrophobicContact CD1-CG1 3.84Å; I250-V271 HydrophobicContact CG1-CG1 3.92Å; I250-V271 HydrophobicContact CG2-CG1 3.96Å; I250-R272 VanDerWaalsContact CG2-O 3.32Å; I250-R272 WeakPolarHBondContact CG2-O 3.31Å; I250-F273 HydrophobicContact CG1-CD1 4.01Å; I250-F273 HydrophobicContact CG1-CE1 3.7Å
251	A	93.3	Very high	92.1	Very high	15 Å²	15	24.8 Å²	24.8	12%	0.124	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	160.7	175.9	0	0	0	0	0	112.4	F210 G253 G254 R272 V274	F210-A251 WeakPolarHBondContact CE2-O 3.38Å; A251-G253 PolarHBondContact O-N 2.66Å; A251-G254 WeakPolarHBondContact O-CA 3.49Å; A251-G254 PolarHBondContact O-N 2.86Å; A251-R272 HydrophobicContact CB-CG 4.3Å; A251-R272 PolarHBondContact N-O 3.43Å; A251-V274 HydrophobicContact CB-CG1 4.41Å
252	K	88.9	Confident	91.2	Very high	106 Å²	106	30.7 Å²	30.7	46%	0.461	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	126	173.6	-176.4	171.1	-169.6	159.1	0	109.9	E211 G254 E323	E211-K252 HydrophobicContact CB-CB 4.27Å; E211-K252 HydrophobicContact CB-CD 4.43Å; E211-K252 HydrophobicContact CB-CG 3.89Å; E211-K252 WeakPolarHBondContact O-CA 3.4Å; E211-K252 VanDerWaalsContact OE2-CD 3.28Å; E211-K252 WeakPolarHBondContact OE2-CD 3.43Å; E211-K252 WeakPolarHBondContact OE2-CE 3.41Å; E211-K252 IonicContact OE2-NZ 2.76Å; E211-K252 PolarHBondContact OE2-NZ 3.41Å; K252-G254 PolarHBondContact O-N 2.7Å; K252-E323 IonicContact NZ-OE1 3.53Å; K252-E323 PolarHBondContact NZ-OE1 3.16Å
253	G	86.5	Confident	90.3	Very high	6 Å²	6	30.4 Å²	30.4	6%	0.062	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.1	4.7	-172.6	0	0	0	0	0	115.5	E211 G213 A251 A255	E211-G253 PolarHBondContact O-N 2.96Å; G213-G253 WeakPolarHBondContact O-CA 3.44Å; A251-G253 PolarHBondContact O-N 2.66Å; G253-A255 PolarHBondContact O-N 2.81Å
254	G	91.4	Very high	89.7	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	20	-172.9	0	0	0	0	0	116.4	I250 A251 K252 V271 R272	I250-G254 WeakPolarHBondContact CG2-O 3.22Å; A251-G254 WeakPolarHBondContact O-CA 3.49Å; A251-G254 PolarHBondContact O-N 2.86Å; K252-G254 PolarHBondContact O-N 2.7Å; G254-V271 CarbonylContact O-C 3.58Å; G254-V271 VanDerWaalsContact O-CA 3.28Å; G254-V271 WeakPolarHBondContact O-CA 3.5Å; G254-R272 PolarHBondContact O-N 2.86Å
255	A	93.3	Very high	89.2	Confident	5 Å²	5	33.1 Å²	33.1	4%	0.041	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	109.7	179.4	0	0	0	0	0	111.1	F210 D238 I241 G253	F210-A255 HydrophobicContact CE1-CB 4.22Å; F210-A255 HydrophobicContact CE2-CB 4.24Å; F210-A255 HydrophobicContact CZ-CB 3.69Å; D238-A255 HydrophobicContact CB-CB 4.05Å; I241-A255 HydrophobicContact CG2-CB 4.49Å; G253-A255 PolarHBondContact O-N 2.81Å
256	A	91.8	Very high	88.7	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	110	-171.9	0	0	0	0	0	111.6	A269 L270 F305 I308 A309 A407	A256-A269 CarbonylContact O-C 3.59Å; A256-A269 WeakPolarHBondContact O-CA 3.33Å; A256-A269 WeakPolarHBondContact O-CB 3.11Å; A256-L270 PolarHBondContact N-O 3Å; A256-L270 PolarHBondContact O-N 3.04Å; A256-F305 HydrophobicContact CB-CE2 4Å; A256-F305 HydrophobicContact CB-CZ 4.26Å; A256-I308 HydrophobicContact CB-CG2 4.02Å; A256-A309 HydrophobicContact CB-CB 3.9Å; A256-A407 HydrophobicContact CB-CB 3.81Å
257	L	92.1	Very high	88.5	Confident	6 Å²	6	35.6 Å²	35.6	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	129.9	174	-67.8	174.3	0	0	0	110.5	L232 I241 A269 T405 Q411	L232-L257 HydrophobicContact CD2-CD2 4.39Å; I241-L257 HydrophobicContact CD1-CD2 3.7Å; L257-A269 HydrophobicContact CD2-CB 4.32Å; L257-T405 HydrophobicContact CD1-CG2 3.98Å; L257-T405 HydrophobicContact CG-CG2 4.15Å; L257-Q411 PolarHBondContact O-NE2 2.71Å; L257-Q411 PolarHBondContact O-OE1 2.92Å
258	C	91.2	Very high	88.5	Confident	13 Å²	13	36.6 Å²	36.6	9%	0.088	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.7	-179	-60.6	0	0	0	0	111.8	N266 E268	C258-N266 PolarHBondContact O-N 3.45Å; C258-E268 HydrophobicContact CB-CB 4.08Å; C258-E268 PolarHBondContact N-O 2.9Å
259	L	88.3	Confident	88.4	Confident	20 Å²	20	36.1 Å²	36.1	11%	0.105	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	134.6	174.6	-63.6	-172.6	0	0	0	113	R264 R265 E408 Q411 V412	L259-R264 CarbonylContact C-O 3.6Å; L259-R264 WeakPolarHBondContact CA-O 3.3Å; L259-R265 HydrophobicContact CD2-CG 3.91Å; L259-E408 HydrophobicContact CD1-CG 3.77Å; L259-E408 HydrophobicContact CD2-CG 4.06Å; L259-E408 HydrophobicContact CG-CG 4.09Å; L259-Q411 HydrophobicContact CD1-CB 4.16Å; L259-V412 HydrophobicContact CD1-CG2 3.47Å; L259-V412 VanDerWaalsContact CD1-CG2 3.47Å
260	N	86.1	Confident	88.4	Confident	44 Å²	44	35.7 Å²	35.7	24%	0.235	19%	0.186	C	C	.	.			trans	-69.5	175	170.1	78.6	4	0	0	0	112.4	Q262 G263 R264 R415	N260-Q262 PolarHBondContact ND2-OE1 3.49Å; N260-Q262 PolarHBondContact O-N 2.88Å; N260-Q262 VanDerWaalsContact O-N 3.14Å; N260-Q262 PolarHBondContact OD1-N 3.21Å; N260-Q262 PolarHBondContact OD1-OE1 3.39Å; N260-G263 PolarHBondContact O-N 2.99Å; N260-G263 PolarHBondContact OD1-N 3.45Å; N260-G263 VanDerWaalsContact OD1-N 3.08Å; N260-R264 PolarHBondContact N-O 3.24Å; N260-R264 PolarHBondContact OD1-N 3.44Å; N260-R264 PolarHBondContact OD1-O 3.15Å; N260-R415 PolarHBondContact O-NH1 3.36Å; N260-R415 PolarHBondContact O-NH2 3.12Å; N260-R415 VanDerWaalsContact O-NH2 3.12Å
261	A	76.3	Confident	88.4	Confident	83 Å²	83	35.2 Å²	35.2	69%	0.686	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.2	-177.8	0	0	0	0	0	114.9	R415	A261-R415 PolarHBondContact O-NH1 2.84Å
262	Q	75.1	Confident	88.6	Confident	127 Å²	127	36.1 Å²	36.1	59%	0.593	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	5	175.9	-56.7	77.3	15.3	0	0	113.1	N260 R264	N260-Q262 PolarHBondContact ND2-OE1 3.49Å; N260-Q262 PolarHBondContact O-N 2.88Å; N260-Q262 VanDerWaalsContact O-N 3.14Å; N260-Q262 PolarHBondContact OD1-N 3.21Å; N260-Q262 PolarHBondContact OD1-OE1 3.39Å; Q262-R264 VanDerWaalsContact C-N 3.33Å; Q262-R264 PolarHBondContact O-N 2.98Å
263	G	76.3	Confident	88.9	Confident	4 Å²	4	31.1 Å²	31.1	4%	0.041	16%	0.162	C	C	.	.	S	Bend	trans	76.3	21.1	174.1	0	0	0	0	0	113.1	N260 R329 R331	N260-G263 PolarHBondContact O-N 2.99Å; N260-G263 PolarHBondContact OD1-N 3.45Å; N260-G263 VanDerWaalsContact OD1-N 3.08Å; G263-R329 PolarHBondContact O-NH1 3.32Å; G263-R329 PolarHBondContact O-NH2 3.14Å; G263-R331 PolarHBondContact O-NH1 3.4Å
264	R	80.7	Confident	89.4	Confident	164 Å²	164	34.8 Å²	34.8	62%	0.619	18%	0.183	S	C	*	.	S	Bend	trans	-98.2	153.6	171.9	-63.1	176.7	175.9	172.7	-2.6	108.9	L259 N260 Q262	L259-R264 CarbonylContact C-O 3.6Å; L259-R264 WeakPolarHBondContact CA-O 3.3Å; N260-R264 PolarHBondContact N-O 3.24Å; N260-R264 PolarHBondContact OD1-N 3.44Å; N260-R264 PolarHBondContact OD1-O 3.15Å; Q262-R264 VanDerWaalsContact C-N 3.33Å; Q262-R264 PolarHBondContact O-N 2.98Å
265	R	84.9	Confident	89.6	Confident	29 Å²	29	36.3 Å²	36.3	11%	0.109	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	136.6	177.9	-68.2	170	-169.4	-173.8	5.2	110.2	W234 S236 L259 G267 R403 S404 E408	W234-R265 WeakPolarHBondContact O-CD 3.38Å; S236-R265 PolarHBondContact O-NH1 3.41Å; L259-R265 HydrophobicContact CD2-CG 3.91Å; R265-G267 VanDerWaalsContact C-N 3.29Å; R265-R403 VanDerWaalsContact CZ-O 3.25Å; R265-R403 PolarHBondContact NH1-O 2.97Å; R265-R403 PolarHBondContact NH2-O 3.06Å; R265-S404 PolarHBondContact NH2-OG 2.99Å; R265-E408 IonicContact CZ-OE2 2.61Å; R265-E408 IonicContact NE-OE1 3.45Å; R265-E408 IonicContact NE-OE2 3.4Å; R265-E408 IonicContact NH2-OE1 2.71Å; R265-E408 IonicContact NH2-OE2 2.66Å; R265-E408 PolarHBondContact NH2-OE2 3.37Å
266	N	87.4	Confident	89.7	Confident	83 Å²	83	39.7 Å²	39.7	44%	0.444	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-5.4	179.8	-150.6	40.7	0	0	0	113.6	C258 E268	C258-N266 PolarHBondContact O-N 3.45Å; N266-E268 VanDerWaalsContact C-N 3.31Å; N266-E268 HydrophobicContact CB-CB 4.41Å; N266-E268 HydrophobicContact CB-CG 4.3Å; N266-E268 PolarHBondContact ND2-OE2 3.39Å
267	G	90.2	Very high	89.8	Confident	7 Å²	7	43.3 Å²	43.3	7%	0.072	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.2	26.5	-164.1	0	0	0	0	0	112.4	R230 G231 L232 R265	R230-G267 CarbonylContact C-O 3.53Å; G231-G267 PolarHBondContact N-O 3.14Å; L232-G267 PolarHBondContact N-O 2.97Å; L232-G267 WeakPolarHBondContact O-CA 3.37Å; R265-G267 VanDerWaalsContact C-N 3.29Å
268	E	94.5	Very high	90.1	Very high	21 Å²	21	43.3 Å²	43.3	10%	0.098	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	151.9	179.2	-61.2	-170.5	99.3	0	0	110.8	R228 A229 R230 C258 N266	R228-E268 IonicContact CZ-OE1 3.93Å; R228-E268 IonicContact CZ-OE2 3.49Å; R228-E268 IonicContact NE-OE1 2.93Å; R228-E268 PolarHBondContact NE-OE1 3.35Å; R228-E268 IonicContact NH2-OE1 3.21Å; R228-E268 PolarHBondContact NH2-OE1 3.01Å; R228-E268 IonicContact NH2-OE2 2.86Å; R228-E268 PolarHBondContact NH2-OE2 3.18Å; A229-E268 CarbonylContact O-C 3.59Å; A229-E268 VanDerWaalsContact O-CA 3.28Å; A229-E268 WeakPolarHBondContact O-CA 3.49Å; R230-E268 HydrophobicContact CB-CG 4.19Å; R230-E268 VanDerWaalsContact CD-OE1 3.31Å; R230-E268 WeakPolarHBondContact CD-OE1 3.22Å; R230-E268 HydrophobicContact CG-CG 4.06Å; R230-E268 WeakPolarHBondContact CG-OE1 3.48Å; R230-E268 IonicContact NE-OE1 2.67Å; R230-E268 PolarHBondContact NE-OE1 3.38Å; C258-E268 HydrophobicContact CB-CB 4.08Å; C258-E268 PolarHBondContact N-O 2.9Å; N266-E268 VanDerWaalsContact C-N 3.31Å; N266-E268 HydrophobicContact CB-CB 4.41Å; N266-E268 HydrophobicContact CB-CG 4.3Å; N266-E268 PolarHBondContact ND2-OE2 3.39Å
269	A	95.9	Very high	90.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	155.5	172.2	0	0	0	0	0	111.4	R228 A229 L232 I241 A256 L257	R228-A269 CarbonylContact C-O 3.56Å; R228-A269 WeakPolarHBondContact CA-O 3.18Å; A229-A269 PolarHBondContact N-O 3.22Å; A229-A269 PolarHBondContact O-N 3.28Å; L232-A269 HydrophobicContact CD2-CB 3.91Å; I241-A269 HydrophobicContact CD1-CB 3.56Å; A256-A269 CarbonylContact O-C 3.59Å; A256-A269 WeakPolarHBondContact O-CA 3.33Å; A256-A269 WeakPolarHBondContact O-CB 3.11Å; L257-A269 HydrophobicContact CD2-CB 4.32Å
270	L	95.9	Very high	90.7	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	136.2	165.3	-70.2	163.3	0	0	0	109	V226 V227 R228 A256 A300 D304 F305 I308	V226-L270 HydrophobicContact CG1-CD2 4.27Å; V227-L270 WeakPolarHBondContact O-CA 3.49Å; R228-L270 HydrophobicContact CB-CD2 3.74Å; R228-L270 HydrophobicContact CG-CD2 4.11Å; A256-L270 PolarHBondContact N-O 3Å; A256-L270 PolarHBondContact O-N 3.04Å; L270-A300 HydrophobicContact CD2-CB 3.65Å; L270-D304 HydrophobicContact CD1-CB 4.29Å; L270-D304 VanDerWaalsContact CD1-O 3.23Å; L270-D304 WeakPolarHBondContact CD1-O 3.43Å; L270-F305 HydrophobicContact CB-CD2 3.94Å; L270-I308 HydrophobicContact CD1-CB 4.16Å; L270-I308 HydrophobicContact CD1-CG1 3.76Å
271	V	96.9	Very high	91.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.8	-176	-173.1	0	0	0	0	109.6	V226 V227 I241 F245 I250 G254 F273	V226-V271 CarbonylContact C-O 3.55Å; V226-V271 WeakPolarHBondContact CA-O 3.44Å; V227-V271 HydrophobicContact CG2-CB 3.9Å; V227-V271 PolarHBondContact N-O 2.97Å; V227-V271 PolarHBondContact O-N 3.05Å; I241-V271 HydrophobicContact CG2-CG1 4.48Å; I241-V271 HydrophobicContact CG2-CG2 3.51Å; F245-V271 HydrophobicContact CD2-CG1 4.25Å; F245-V271 HydrophobicContact CD2-CG2 4.34Å; F245-V271 HydrophobicContact CE2-CB 4.4Å; F245-V271 HydrophobicContact CE2-CG1 4.48Å; F245-V271 HydrophobicContact CE2-CG2 3.96Å; I250-V271 HydrophobicContact CD1-CG1 3.84Å; I250-V271 HydrophobicContact CG1-CG1 3.92Å; I250-V271 HydrophobicContact CG2-CG1 3.96Å; G254-V271 CarbonylContact O-C 3.58Å; G254-V271 VanDerWaalsContact O-CA 3.28Å; G254-V271 WeakPolarHBondContact O-CA 3.5Å; V271-F273 HydrophobicContact CB-CE2 4.5Å; V271-F273 HydrophobicContact CG1-CE1 4.26Å; V271-F273 HydrophobicContact CG1-CE2 4.12Å; V271-F273 HydrophobicContact CG1-CZ 3.83Å
272	R	95.9	Very high	92.3	Very high	34 Å²	34	38.8 Å²	38.8	13%	0.128	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.1	179.6	173.8	-178.7	171.9	-151.4	2.3	110.2	E219 I221 V226 I250 A251 G254 F305	E219-R272 IonicContact OE1-CZ 3.24Å; E219-R272 IonicContact OE1-NH1 3.39Å; E219-R272 PolarHBondContact OE1-NH1 2.96Å; E219-R272 IonicContact OE1-NH2 2.82Å; E219-R272 PolarHBondContact OE1-NH2 3.15Å; E219-R272 IonicContact OE2-NH1 3.93Å; E219-R272 PolarHBondContact OE2-NH1 3.33Å; I221-R272 HydrophobicContact CG2-CG 4.27Å; V226-R272 HydrophobicContact CG2-CB 4.24Å; V226-R272 HydrophobicContact CG2-CG 4.41Å; I250-R272 VanDerWaalsContact CG2-O 3.32Å; I250-R272 WeakPolarHBondContact CG2-O 3.31Å; A251-R272 HydrophobicContact CB-CG 4.3Å; A251-R272 PolarHBondContact N-O 3.43Å; G254-R272 PolarHBondContact O-N 2.86Å; R272-F305 HydrophobicContact CB-CD2 4.03Å; R272-F305 HydrophobicContact CB-CE2 3.9Å; R272-F305 HydrophobicContact CB-CZ 4.28Å
273	F	97.1	Very high	93.3	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	169.5	173.1	-60.3	-79.9	0	0	0	111.6	T225 V227 F245 L248 N249 I250 V271 S275 H278 R279 A282	T225-F273 PolarHBondContact O-N 3.49Å; V227-F273 HydrophobicContact CG1-CE2 4.12Å; V227-F273 HydrophobicContact CG2-CE2 3.76Å; V227-F273 HydrophobicContact CG2-CZ 4.43Å; F245-F273 HydrophobicContact CB-CE1 4.09Å; F245-F273 HydrophobicContact CB-CZ 4.2Å; F245-F273 AromaticContact CD1-CZ 3.93Å; F245-F273 HydrophobicContact CD1-CZ 3.93Å; F245-F273 HydrophobicContact CD2-CZ 4.2Å; F245-F273 HydrophobicContact CE1-CZ 4.35Å; F245-F273 HydrophobicContact CG-CE1 4.26Å; F245-F273 AromaticContact CG-CZ 3.86Å; F245-F273 HydrophobicContact CG-CZ 3.86Å; L248-F273 HydrophobicContact CB-CD1 3.97Å; L248-F273 HydrophobicContact CB-CE1 3.72Å; L248-F273 HydrophobicContact CD1-CE1 4.24Å; L248-F273 HydrophobicContact CD1-CZ 4.48Å; N249-F273 WeakPolarHBondContact O-CA 3.49Å; I250-F273 HydrophobicContact CG1-CD1 4.01Å; I250-F273 HydrophobicContact CG1-CE1 3.7Å; V271-F273 HydrophobicContact CB-CE2 4.5Å; V271-F273 HydrophobicContact CG1-CE1 4.26Å; V271-F273 HydrophobicContact CG1-CE2 4.12Å; V271-F273 HydrophobicContact CG1-CZ 3.83Å; F273-S275 VanDerWaalsContact C-N 3.28Å; F273-H278 HydrophobicContact CB-CB 3.69Å; F273-H278 HydrophobicContact CD1-CB 4.06Å; F273-H278 HydrophobicContact CG-CB 3.96Å; F273-R279 HydrophobicContact CD2-CB 4.13Å; F273-A282 HydrophobicContact CD2-CB 4.33Å; F273-A282 HydrophobicContact CE1-CB 4.34Å; F273-A282 HydrophobicContact CE2-CB 3.39Å; F273-A282 HydrophobicContact CZ-CB 3.41Å; F273-A282 VanDerWaalsContact CZ-CB 3.41Å
274	V	95.4	Very high	94.3	Very high	82 Å²	82	37.4 Å²	37.4	50%	0.497	18%	0.182	S	C	.	.	S	Bend	trans	-77.2	-11.4	174.6	-57.5	0	0	0	0	113.7	N249 A251	N249-V274 HydrophobicContact CB-CG1 4.18Å; N249-V274 HydrophobicContact CB-CG2 3.69Å; N249-V274 PolarHBondContact O-N 2.71Å; A251-V274 HydrophobicContact CB-CG1 4.41Å
275	S	95.4	Very high	95	Very high	33 Å²	33	29.8 Å²	29.8	23%	0.231	15%	0.153	C	C	.	.	S	Bend	trans	-153.4	156.3	-177.8	63.4	0	0	0	0	112.2	F273 E277 H278 R279	F273-S275 VanDerWaalsContact C-N 3.28Å; S275-E277 VanDerWaalsContact C-N 3.27Å; S275-E277 PolarHBondContact O-N 2.88Å; S275-H278 PolarHBondContact O-N 2.86Å; S275-H278 PolarHBondContact OG-N 2.81Å; S275-R279 PolarHBondContact O-N 2.96Å
276	E	96.1	Very high	95.5	Very high	77 Å²	77	31.4 Å²	31.4	36%	0.36	16%	0.162	S	C	.	.	H	α-helix	trans	-57.8	-39.8	169.6	170.9	155	-139.3	0	0	112.1	N224 H278 R279 D280	N224-E276 HydrophobicContact CB-CB 4.01Å; N224-E276 VanDerWaalsContact CB-CD 3.45Å; N224-E276 HydrophobicContact CB-CG 4Å; N224-E276 WeakPolarHBondContact CB-OE1 3.42Å; N224-E276 VanDerWaalsContact CG-CD 3.46Å; N224-E276 PolarHBondContact ND2-OE1 3.44Å; N224-E276 PolarHBondContact ND2-OE2 2.79Å; N224-E276 WeakPolarHBondContact O-CA 3.37Å; N224-E276 PolarHBondContact OD1-OE1 3.16Å; E276-H278 VanDerWaalsContact C-N 3.34Å; E276-H278 PolarHBondContact O-N 2.9Å; E276-R279 CarbonylContact O-C 3.58Å; E276-R279 WeakPolarHBondContact O-CA 3.49Å; E276-R279 VanDerWaalsContact O-CB 3.27Å; E276-R279 WeakPolarHBondContact O-CB 3.48Å; E276-R279 PolarHBondContact O-N 3.27Å; E276-R279 IonicContact OE1-CZ 2.85Å; E276-R279 IonicContact OE1-NH1 2.67Å; E276-R279 IonicContact OE1-NH2 2.7Å; E276-R279 PolarHBondContact OE1-NH2 2.94Å; E276-D280 PolarHBondContact O-N 2.93Å
277	E	94.8	Very high	95.9	Very high	75 Å²	75	33.6 Å²	33.6	35%	0.35	17%	0.167	S	C	.	.	H	α-helix	trans	-55.6	-45.8	176.7	176.8	168.7	-134.8	0	0	112.4	Q111 K141 S275 R279 D280 L281	Q111-E277 VanDerWaalsContact NE2-CD 3.34Å; Q111-E277 PolarHBondContact NE2-OE1 3.32Å; K141-E277 WeakPolarHBondContact CE-OE1 3.26Å; K141-E277 IonicContact NZ-OE1 2.71Å; K141-E277 PolarHBondContact NZ-OE1 2.97Å; K141-E277 IonicContact NZ-OE2 2.95Å; K141-E277 PolarHBondContact NZ-OE2 3.21Å; S275-E277 VanDerWaalsContact C-N 3.27Å; S275-E277 PolarHBondContact O-N 2.88Å; E277-R279 VanDerWaalsContact C-N 3.34Å; E277-D280 PolarHBondContact O-N 3.44Å; E277-L281 WeakPolarHBondContact O-CG 3.35Å; E277-L281 PolarHBondContact O-N 3.41Å
278	H	97.1	Very high	96.1	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.028	17%	0.169	C	C	.	.	H	α-helix	trans	-70.1	-30.7	175.3	-68.1	175.6	0	0	0	112.5	R115 L248 N249 F273 S275 E276 A282	R115-H278 PolarHBondContact NE-NE2 3.2Å; R115-H278 PolarHBondContact NH2-NE2 3.5Å; L248-H278 HydrophobicContact CB-CB 4.47Å; N249-H278 PolarHBondContact N-ND1 3.26Å; F273-H278 HydrophobicContact CB-CB 3.69Å; F273-H278 HydrophobicContact CD1-CB 4.06Å; F273-H278 HydrophobicContact CG-CB 3.96Å; S275-H278 PolarHBondContact O-N 2.86Å; S275-H278 PolarHBondContact OG-N 2.81Å; E276-H278 VanDerWaalsContact C-N 3.34Å; E276-H278 PolarHBondContact O-N 2.9Å; H278-A282 WeakPolarHBondContact O-CB 3.28Å; H278-A282 PolarHBondContact O-N 2.84Å
279	R	97.2	Very high	96.1	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-63.5	-43.8	172.4	-175.6	-73.4	-47.3	-89.5	-1	110.9	N224 V226 V227 F273 S275 E276 E277 A282 L283 K299	N224-R279 VanDerWaalsContact CA-NH1 3.28Å; N224-R279 VanDerWaalsContact O-CB 3.25Å; N224-R279 WeakPolarHBondContact O-CB 3.39Å; N224-R279 WeakPolarHBondContact O-CG 3.28Å; N224-R279 PolarHBondContact O-NE 3.46Å; N224-R279 PolarHBondContact O-NH1 3Å; N224-R279 PolarHBondContact OD1-NH1 3.39Å; V226-R279 WeakPolarHBondContact O-CG 3.27Å; V227-R279 HydrophobicContact CG1-CG 3.77Å; F273-R279 HydrophobicContact CD2-CB 4.13Å; S275-R279 PolarHBondContact O-N 2.96Å; E276-R279 CarbonylContact O-C 3.58Å; E276-R279 WeakPolarHBondContact O-CA 3.49Å; E276-R279 VanDerWaalsContact O-CB 3.27Å; E276-R279 WeakPolarHBondContact O-CB 3.48Å; E276-R279 PolarHBondContact O-N 3.27Å; E276-R279 IonicContact OE1-CZ 2.85Å; E276-R279 IonicContact OE1-NH1 2.67Å; E276-R279 IonicContact OE1-NH2 2.7Å; E276-R279 PolarHBondContact OE1-NH2 2.94Å; E277-R279 VanDerWaalsContact C-N 3.34Å; R279-A282 WeakPolarHBondContact O-CB 3.42Å; R279-A282 PolarHBondContact O-N 3.16Å; R279-L283 WeakPolarHBondContact O-CG 3.44Å; R279-L283 PolarHBondContact O-N 2.88Å; R279-K299 VanDerWaalsContact CZ-CE 3.46Å; R279-K299 VanDerWaalsContact CZ-NZ 3.31Å
280	D	96.3	Very high	95.9	Very high	53 Å²	53	39.3 Å²	39.3	28%	0.283	19%	0.192	S	C	.	.	H	α-helix	trans	-73.5	-34.7	178.7	-72	-46.8	0	0	0	113.1	E276 E277 A282 L283 Q284 K299	E276-D280 PolarHBondContact O-N 2.93Å; E277-D280 PolarHBondContact O-N 3.44Å; D280-A282 VanDerWaalsContact C-N 3.27Å; D280-A282 PolarHBondContact O-N 3.24Å; D280-L283 WeakPolarHBondContact O-CB 3.41Å; D280-L283 PolarHBondContact O-N 2.88Å; D280-L283 VanDerWaalsContact OD1-CD1 3.3Å; D280-L283 WeakPolarHBondContact OD1-CD1 3.25Å; D280-Q284 PolarHBondContact O-N 3.28Å; D280-K299 WeakPolarHBondContact OD1-CE 3.49Å; D280-K299 IonicContact OD1-NZ 3.56Å; D280-K299 PolarHBondContact OD1-NZ 3.34Å; D280-K299 IonicContact OD2-NZ 3.55Å
281	L	96.8	Very high	95.5	Very high	10 Å²	10	42.1 Å²	42.1	5%	0.052	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-33.2	167.1	-69.5	-178.1	0	0	0	112.9	Q111 L112 R115 Q116 L248 E277 L283 Q284	Q111-L281 HydrophobicContact CG-CD1 3.99Å; L112-L281 HydrophobicContact CD2-CD2 3.46Å; L112-L281 VanDerWaalsContact CD2-CD2 3.46Å; R115-L281 HydrophobicContact CB-CD1 4.21Å; Q116-L281 HydrophobicContact CG-CD2 4.36Å; Q116-L281 PolarHBondContact NE2-O 3.31Å; L248-L281 HydrophobicContact CD1-CB 4.11Å; L248-L281 HydrophobicContact CD2-CB 3.6Å; L248-L281 HydrophobicContact CD2-CD1 3.59Å; L248-L281 HydrophobicContact CD2-CG 4.28Å; E277-L281 WeakPolarHBondContact O-CG 3.35Å; E277-L281 PolarHBondContact O-N 3.41Å; L281-L283 VanDerWaalsContact C-N 3.32Å; L281-L283 PolarHBondContact O-N 2.9Å; L281-Q284 WeakPolarHBondContact O-CB 3.48Å; L281-Q284 PolarHBondContact O-N 2.68Å
282	A	97.6	Very high	95.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-67.9	-30.9	176	0	0	0	0	0	112.6	V227 F245 L248 F273 H278 R279 D280 Q284 R285	V227-A282 HydrophobicContact CG1-CB 4.14Å; F245-A282 HydrophobicContact CD1-CB 3.86Å; F245-A282 HydrophobicContact CE1-CB 3.66Å; L248-A282 HydrophobicContact CD1-CB 3.77Å; F273-A282 HydrophobicContact CD2-CB 4.33Å; F273-A282 HydrophobicContact CE1-CB 4.34Å; F273-A282 HydrophobicContact CE2-CB 3.39Å; F273-A282 HydrophobicContact CZ-CB 3.41Å; F273-A282 VanDerWaalsContact CZ-CB 3.41Å; H278-A282 WeakPolarHBondContact O-CB 3.28Å; H278-A282 PolarHBondContact O-N 2.84Å; R279-A282 WeakPolarHBondContact O-CB 3.42Å; R279-A282 PolarHBondContact O-N 3.16Å; D280-A282 VanDerWaalsContact C-N 3.27Å; D280-A282 PolarHBondContact O-N 3.24Å; A282-Q284 VanDerWaalsContact C-N 3.29Å; A282-Q284 PolarHBondContact O-N 3.31Å; A282-R285 PolarHBondContact O-N 3.4Å; A282-R285 VanDerWaalsContact O-N 3.16Å
283	L	97.3	Very high	95	Very high	39 Å²	39	52.5 Å²	52.5	20%	0.204	28%	0.278	C	S	.	.	H	α-helix	trans	-68.4	-28.6	174.8	-62.3	168.7	0	0	0	112.6	V227 R279 D280 L281 R285 H286 V297 Y298 K299	V227-L283 HydrophobicContact CG1-CD2 4.09Å; V227-L283 HydrophobicContact CG1-CG 4.41Å; R279-L283 WeakPolarHBondContact O-CG 3.44Å; R279-L283 PolarHBondContact O-N 2.88Å; D280-L283 WeakPolarHBondContact O-CB 3.41Å; D280-L283 PolarHBondContact O-N 2.88Å; D280-L283 VanDerWaalsContact OD1-CD1 3.3Å; D280-L283 WeakPolarHBondContact OD1-CD1 3.25Å; L281-L283 VanDerWaalsContact C-N 3.32Å; L281-L283 PolarHBondContact O-N 2.9Å; L283-R285 PolarHBondContact O-N 3.44Å; L283-R285 VanDerWaalsContact O-N 3.16Å; L283-H286 VanDerWaalsContact O-CB 3.24Å; L283-H286 WeakPolarHBondContact O-CB 3.19Å; L283-H286 PolarHBondContact O-N 3.38Å; L283-H286 VanDerWaalsContact O-N 3.1Å; L283-V297 HydrophobicContact CD2-CG1 4.15Å; L283-Y298 VanDerWaalsContact CD2-C 3.48Å; L283-K299 HydrophobicContact CD1-CD 4.07Å; L283-K299 HydrophobicContact CD1-CG 3.56Å; L283-K299 HydrophobicContact CD2-CG 4.1Å; L283-K299 HydrophobicContact CG-CG 4.45Å
284	Q	96.1	Very high	94.9	Very high	63 Å²	63	58.7 Å²	58.7	29%	0.294	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-12.8	173.2	-60.3	177.9	-10.7	0	0	112.9	D280 L281 A282 H286	D280-Q284 PolarHBondContact O-N 3.28Å; L281-Q284 WeakPolarHBondContact O-CB 3.48Å; L281-Q284 PolarHBondContact O-N 2.68Å; A282-Q284 VanDerWaalsContact C-N 3.29Å; A282-Q284 PolarHBondContact O-N 3.31Å; Q284-H286 VanDerWaalsContact C-N 3.33Å
285	R	95.8	Very high	95.1	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.015	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	12.5	173.5	-52.1	-165.6	-172.6	-178	2.3	113.9	R115 Q116 P120 F244 F245 K246 A282 L283 K287 H288	R115-R285 PolarHBondContact O-NH2 3.18Å; Q116-R285 VanDerWaalsContact OE1-CZ 3.3Å; P120-R285 VanDerWaalsContact CG-NH2 3.34Å; F244-R285 HydrophobicContact CE1-CB 4.17Å; F244-R285 HydrophobicContact CZ-CB 4.11Å; F244-R285 PolarHBondContact O-NH1 3.1Å; F245-R285 VanDerWaalsContact C-NH1 3.28Å; K246-R285 PolarHBondContact O-NH1 2.98Å; K246-R285 PolarHBondContact O-NH2 2.81Å; A282-R285 PolarHBondContact O-N 3.4Å; A282-R285 VanDerWaalsContact O-N 3.16Å; L283-R285 PolarHBondContact O-N 3.44Å; L283-R285 VanDerWaalsContact O-N 3.16Å; R285-K287 PolarHBondContact O-N 2.71Å; R285-H288 HydrophobicContact CB-CB 4.27Å; R285-H288 WeakPolarHBondContact O-CB 3.48Å; R285-H288 PolarHBondContact O-N 2.94Å
286	H	96.3	Very high	95.2	Very high	63 Å²	63	55.7 Å²	55.7	29%	0.292	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	122.3	174.1	-179	97.7	0	0	0	110.5	L283 Q284 V297 Y298	L283-H286 VanDerWaalsContact O-CB 3.24Å; L283-H286 WeakPolarHBondContact O-CB 3.19Å; L283-H286 PolarHBondContact O-N 3.38Å; L283-H286 VanDerWaalsContact O-N 3.1Å; Q284-H286 VanDerWaalsContact C-N 3.33Å; H286-V297 HydrophobicContact CB-CB 4.46Å; H286-V297 PolarHBondContact ND1-N 3.39Å; H286-V297 PolarHBondContact ND1-O 3.01Å; H286-Y298 AromaticContact CE1-CE1 3.91Å; H286-Y298 AromaticContact CE1-CZ 3.95Å
287	K	95.2	Very high	95.3	Very high	129 Å²	129	52.2 Å²	52.2	56%	0.561	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	7.7	-171.7	-61.1	164.6	-178.3	176	0	116.7	R285 Y294 I295	R285-K287 PolarHBondContact O-N 2.71Å; K287-Y294 HydrophobicContact CG-CD2 4.49Å; K287-I295 WeakPolarHBondContact CA-O 3.48Å; K287-I295 PolarHBondContact N-O 3.38Å
288	H	95.5	Very high	95.4	Very high	22 Å²	22	52.4 Å²	52.4	10%	0.102	26%	0.261	C	S	.	.			trans	-65.4	157	165.9	-69	-167.1	0	0	0	110.7	S25 E27 F244 R285 Y294 I295	S25-H288 VanDerWaalsContact C-NE2 3.32Å; S25-H288 PolarHBondContact O-NE2 3.44Å; E27-H288 HydrophobicContact CG-CB 4.44Å; E27-H288 WeakPolarHBondContact OE2-CA 3.44Å; F244-H288 HydrophobicContact CE2-CB 3.7Å; F244-H288 HydrophobicContact CZ-CB 3.84Å; R285-H288 HydrophobicContact CB-CB 4.27Å; R285-H288 WeakPolarHBondContact O-CB 3.48Å; R285-H288 PolarHBondContact O-N 2.94Å; H288-Y294 WeakPolarHBondContact O-CA 3.37Å; H288-I295 PolarHBondContact O-N 3.24Å
289	H	93.6	Very high	95.4	Very high	102 Å²	102	57.6 Å²	57.6	47%	0.472	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-94.5	136.9	-171.6	-64.1	80.1	0	0	0	114.3	E27 R293	E27-H289 IonicContact OE2-CE1 2.98Å; E27-H289 IonicContact OE2-CG 2.95Å; E27-H289 PolarHBondContact OE2-N 2.81Å; E27-H289 IonicContact OE2-ND1 3.92Å; E27-H289 PolarHBondContact OE2-ND1 2.62Å; H289-R293 CarbonylContact C-O 3.41Å; H289-R293 WeakPolarHBondContact CA-O 3.48Å
290	M	92.1	Very high	95.4	Very high	24 Å²	24	58.2 Å²	58.2	12%	0.118	29%	0.289	C	S	.	.	S	Bend	trans	-114.9	82.6	166.2	-174.7	-173.1	-73.7	0	0	108.2	L232 P233 S236 I241 F244 R293 I295	L232-M290 HydrophobicContact CG-CE 4.44Å; L232-M290 HydrophobicContact CG-SD 4.4Å; P233-M290 HydrophobicContact CG-CG 4.44Å; P233-M290 HydrophobicContact CG-SD 4.36Å; S236-M290 PolarHBondContact OG-SD 2.86Å; S236-M290 VanDerWaalsContact OG-SD 3.36Å; I241-M290 HydrophobicContact CG1-CE 4.42Å; F244-M290 HydrophobicContact CB-CE 3.57Å; F244-M290 HydrophobicContact CD2-CB 4.15Å; F244-M290 HydrophobicContact CD2-CE 4.29Å; F244-M290 HydrophobicContact CG-CE 3.92Å; M290-R293 PolarHBondContact N-O 2.64Å; M290-I295 HydrophobicContact CB-CD1 3.84Å; M290-I295 HydrophobicContact CB-CG1 3.65Å; M290-I295 HydrophobicContact CE-CD1 4.48Å; M290-I295 HydrophobicContact CE-CG1 4.45Å; M290-I295 HydrophobicContact SD-CD1 4.36Å
291	G	88.1	Confident	95.3	Very high	66 Å²	66	58 Å²	58	68%	0.68	29%	0.29	S	S	*	.	S	Bend	trans	68.3	-133.2	-168.5	0	0	0	0	0	111	R293	G291-R293 PolarHBondContact O-N 2.83Å
292	T	88.8	Confident	95	Very high	142 Å²	142	57.5 Å²	57.5	87%	0.871	29%	0.288	S	S	*	.	S	Bend	trans	-78.5	22.7	-178	55.5	0	0	0	0	114.4
293	R	93.6	Very high	94.7	Very high	109 Å²	109	63.2 Å²	63.2	41%	0.411	31%	0.314	S	S	.	.			trans	-139.4	120	-169.9	-63.6	-70.1	-69.7	-145.3	-7	110.2	G231 P233 H289 M290 G291	G231-R293 PolarHBondContact O-NE 3.03Å; G231-R293 PolarHBondContact O-NH2 3.06Å; P233-R293 HydrophobicContact CG-CB 4.29Å; P233-R293 HydrophobicContact CG-CG 3.97Å; H289-R293 CarbonylContact C-O 3.41Å; H289-R293 WeakPolarHBondContact CA-O 3.48Å; M290-R293 PolarHBondContact N-O 2.64Å; G291-R293 PolarHBondContact O-N 2.83Å
294	Y	95.1	Very high	94.4	Very high	131 Å²	131	64 Å²	64	51%	0.514	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-67.4	148	163.3	65.2	-98.9	0	0	0	109.8	K287 H288 E296	K287-Y294 HydrophobicContact CG-CD2 4.49Å; H288-Y294 WeakPolarHBondContact O-CA 3.37Å; Y294-E296 HydrophobicContact CD2-CG 4.3Å; Y294-E296 HydrophobicContact CE2-CG 4.04Å
295	I	97.8	Very high	94.2	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.304	C	S	.	.			trans	-112.2	122.7	179.7	-59.2	-58.5	0	0	0	109.8	A229 R230 L232 F244 K287 H288 M290 V297	A229-I295 HydrophobicContact CB-CG2 3.97Å; R230-I295 WeakPolarHBondContact O-CA 3.39Å; L232-I295 HydrophobicContact CB-CD1 4.43Å; L232-I295 HydrophobicContact CD1-CD1 4.18Å; L232-I295 HydrophobicContact CD1-CG2 4.48Å; L232-I295 HydrophobicContact CG-CD1 4.1Å; F244-I295 HydrophobicContact CD2-CG1 4.2Å; F244-I295 HydrophobicContact CE1-CB 4.17Å; F244-I295 HydrophobicContact CE1-CG2 3.94Å; F244-I295 HydrophobicContact CE2-CB 3.86Å; F244-I295 HydrophobicContact CE2-CG1 3.76Å; F244-I295 HydrophobicContact CE2-CG2 4.5Å; F244-I295 HydrophobicContact CZ-CB 3.57Å; F244-I295 HydrophobicContact CZ-CG1 3.99Å; F244-I295 HydrophobicContact CZ-CG2 3.87Å; K287-I295 WeakPolarHBondContact CA-O 3.48Å; K287-I295 PolarHBondContact N-O 3.38Å; H288-I295 PolarHBondContact O-N 3.24Å; M290-I295 HydrophobicContact CB-CD1 3.84Å; M290-I295 HydrophobicContact CB-CG1 3.65Å; M290-I295 HydrophobicContact CE-CD1 4.48Å; M290-I295 HydrophobicContact CE-CG1 4.45Å; M290-I295 HydrophobicContact SD-CD1 4.36Å; I295-V297 HydrophobicContact CG2-CG2 4.17Å
296	E	97.6	Very high	94	Very high	52 Å²	52	62.5 Å²	62.5	24%	0.243	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	118	172.9	-49.4	179.3	134.2	0	0	109	A229 R230 Y294 Y298	A229-E296 CarbonylContact C-O 3.6Å; A229-E296 WeakPolarHBondContact CA-O 3.47Å; R230-E296 HydrophobicContact CB-CB 4.23Å; R230-E296 PolarHBondContact N-O 3.5Å; R230-E296 PolarHBondContact O-N 3.24Å; Y294-E296 HydrophobicContact CD2-CG 4.3Å; Y294-E296 HydrophobicContact CE2-CG 4.04Å; E296-Y298 HydrophobicContact CB-CD2 4.28Å; E296-Y298 HydrophobicContact CB-CE2 3.47Å; E296-Y298 VanDerWaalsContact CB-CE2 3.47Å; E296-Y298 HydrophobicContact CG-CE2 4.43Å
297	V	98	Very high	93.5	Very high	4 Å²	4	65.5 Å²	65.5	2%	0.024	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.3	175.1	-163.5	0	0	0	0	109.6	V227 F244 F245 L283 H286 I295	V227-V297 HydrophobicContact CB-CG1 3.74Å; V227-V297 HydrophobicContact CG1-CG1 3.98Å; V227-V297 HydrophobicContact CG2-CG1 3.87Å; F244-V297 HydrophobicContact CE1-CG2 4.12Å; F244-V297 HydrophobicContact CZ-CG2 4.49Å; F245-V297 HydrophobicContact CE1-CG1 4.34Å; F245-V297 HydrophobicContact CE1-CG2 4.21Å; F245-V297 HydrophobicContact CZ-CG1 4.11Å; F245-V297 HydrophobicContact CZ-CG2 4.04Å; L283-V297 HydrophobicContact CD2-CG1 4.15Å; H286-V297 HydrophobicContact CB-CB 4.46Å; H286-V297 PolarHBondContact ND1-N 3.39Å; H286-V297 PolarHBondContact ND1-O 3.01Å; I295-V297 HydrophobicContact CG2-CG2 4.17Å
298	Y	97.8	Very high	93.1	Very high	79 Å²	79	61.6 Å²	61.6	31%	0.31	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	155.9	-180	-59.7	-74.8	0	0	0	111.2	V227 R228 R230 L283 H286 E296	V227-Y298 CarbonylContact C-O 3.5Å; V227-Y298 WeakPolarHBondContact CA-O 3.41Å; V227-Y298 VanDerWaalsContact CB-O 3.3Å; V227-Y298 WeakPolarHBondContact CB-O 3.02Å; R228-Y298 PolarHBondContact N-O 2.9Å; R228-Y298 PolarHBondContact O-N 2.87Å; R230-Y298 HydrophobicContact CG-CD2 4.35Å; R230-Y298 HydrophobicContact CG-CE2 4.33Å; L283-Y298 VanDerWaalsContact CD2-C 3.48Å; H286-Y298 AromaticContact CE1-CE1 3.91Å; H286-Y298 AromaticContact CE1-CZ 3.95Å; E296-Y298 HydrophobicContact CB-CD2 4.28Å; E296-Y298 HydrophobicContact CB-CE2 3.47Å; E296-Y298 VanDerWaalsContact CB-CE2 3.47Å; E296-Y298 HydrophobicContact CG-CE2 4.43Å
299	K	97.1	Very high	92.6	Very high	116 Å²	116	60.6 Å²	60.6	50%	0.504	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	146	168.8	-66.8	-166.8	176	-162.3	0	110.4	R279 D280 L283	R279-K299 VanDerWaalsContact CZ-CE 3.46Å; R279-K299 VanDerWaalsContact CZ-NZ 3.31Å; D280-K299 WeakPolarHBondContact OD1-CE 3.49Å; D280-K299 IonicContact OD1-NZ 3.56Å; D280-K299 PolarHBondContact OD1-NZ 3.34Å; D280-K299 IonicContact OD2-NZ 3.55Å; L283-K299 HydrophobicContact CD1-CD 4.07Å; L283-K299 HydrophobicContact CD1-CG 3.56Å; L283-K299 HydrophobicContact CD2-CG 4.1Å; L283-K299 HydrophobicContact CG-CG 4.45Å
300	A	96.5	Very high	91.9	Very high	15 Å²	15	56.1 Å²	56.1	12%	0.124	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	169.4	173.8	0	0	0	0	0	109.7	V226 R228 L270	V226-A300 HydrophobicContact CG1-CB 4.08Å; V226-A300 PolarHBondContact O-N 3.37Å; V226-A300 VanDerWaalsContact O-N 3.16Å; R228-A300 HydrophobicContact CB-CB 4.01Å; L270-A300 HydrophobicContact CD2-CB 3.65Å
301	T	94.4	Very high	90.8	Very high	47 Å²	47	55.6 Å²	55.6	29%	0.288	29%	0.287	S	S	.	.			trans	-96.9	160	-176.5	53.4	0	0	0	0	112.9	D223 E303 D304 F305	D223-T301 HydrophobicContact CB-CG2 4.35Å; D223-T301 WeakPolarHBondContact OD1-CA 3.34Å; D223-T301 WeakPolarHBondContact OD1-CB 3.49Å; T301-E303 VanDerWaalsContact C-N 3.28Å; T301-D304 PolarHBondContact O-N 3.38Å; T301-D304 WeakPolarHBondContact OG1-CB 3.43Å; T301-D304 VanDerWaalsContact OG1-CG 3.28Å; T301-D304 PolarHBondContact OG1-N 2.9Å; T301-D304 VanDerWaalsContact OG1-N 3.13Å; T301-D304 PolarHBondContact OG1-OD1 2.83Å; T301-F305 PolarHBondContact O-N 3.26Å; T301-F305 VanDerWaalsContact O-N 3.13Å
302	G	91.3	Very high	89.5	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-63.5	-36.4	167.8	0	0	0	0	0	111.2	D223 D304 F305 L306	D223-G302 WeakPolarHBondContact OD1-CA 3.33Å; D223-G302 PolarHBondContact OD1-N 3.34Å; G302-D304 VanDerWaalsContact C-N 3.35Å; G302-D304 PolarHBondContact O-N 2.89Å; G302-F305 WeakPolarHBondContact O-CB 3.24Å; G302-F305 PolarHBondContact O-N 3.47Å; G302-L306 WeakPolarHBondContact O-CG 3.47Å; G302-L306 PolarHBondContact O-N 3.49Å
303	E	90.8	Very high	88.6	Confident	119 Å²	119	52.3 Å²	52.3	56%	0.556	26%	0.256	S	S	*	.	H	α-helix	trans	-55.6	-46.9	168.9	-72.7	-158.5	164.6	0	0	112.7	T301 F305 L306 K307	T301-E303 VanDerWaalsContact C-N 3.28Å; E303-F305 VanDerWaalsContact C-N 3.3Å; E303-F305 PolarHBondContact O-N 2.95Å; E303-L306 PolarHBondContact O-N 3.29Å; E303-K307 VanDerWaalsContact O-CG 3.25Å; E303-K307 WeakPolarHBondContact O-CG 3.05Å; E303-K307 PolarHBondContact O-N 3.27Å; E303-K307 WeakPolarHBondContact OE2-CE 3.31Å; E303-K307 IonicContact OE2-NZ 3.18Å; E303-K307 PolarHBondContact OE2-NZ 3.5Å
304	D	91.6	Very high	87.6	Confident	55 Å²	55	53.4 Å²	53.4	29%	0.294	27%	0.27	S	S	.	.	H	α-helix	trans	-66.4	-35.7	-178.7	-81.3	6.5	0	0	0	111.3	L270 T301 G302 K307	L270-D304 HydrophobicContact CD1-CB 4.29Å; L270-D304 VanDerWaalsContact CD1-O 3.23Å; L270-D304 WeakPolarHBondContact CD1-O 3.43Å; T301-D304 PolarHBondContact O-N 3.38Å; T301-D304 WeakPolarHBondContact OG1-CB 3.43Å; T301-D304 VanDerWaalsContact OG1-CG 3.28Å; T301-D304 PolarHBondContact OG1-N 2.9Å; T301-D304 VanDerWaalsContact OG1-N 3.13Å; T301-D304 PolarHBondContact OG1-OD1 2.83Å; G302-D304 VanDerWaalsContact C-N 3.35Å; G302-D304 PolarHBondContact O-N 2.89Å; D304-K307 PolarHBondContact O-N 3.47Å; D304-K307 IonicContact OD1-NZ 3.36Å; D304-K307 PolarHBondContact OD1-NZ 3.48Å
305	F	92.3	Very high	86.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-48.4	169.5	-167.3	-85.2	0	0	0	111.3	C215 I221 V226 A256 L270 R272 T301 G302 E303 K307 I308 A309	C215-F305 HydrophobicContact CB-CE1 3.94Å; I221-F305 HydrophobicContact CD1-CB 4.26Å; I221-F305 HydrophobicContact CD1-CD1 3.44Å; I221-F305 VanDerWaalsContact CD1-CD1 3.44Å; I221-F305 HydrophobicContact CD1-CE1 4.16Å; I221-F305 HydrophobicContact CD1-CG 4.15Å; V226-F305 HydrophobicContact CG1-CB 4.18Å; V226-F305 HydrophobicContact CG1-CD2 4.25Å; V226-F305 HydrophobicContact CG2-CB 4.25Å; A256-F305 HydrophobicContact CB-CE2 4Å; A256-F305 HydrophobicContact CB-CZ 4.26Å; L270-F305 HydrophobicContact CB-CD2 3.94Å; R272-F305 HydrophobicContact CB-CD2 4.03Å; R272-F305 HydrophobicContact CB-CE2 3.9Å; R272-F305 HydrophobicContact CB-CZ 4.28Å; T301-F305 PolarHBondContact O-N 3.26Å; T301-F305 VanDerWaalsContact O-N 3.13Å; G302-F305 WeakPolarHBondContact O-CB 3.24Å; G302-F305 PolarHBondContact O-N 3.47Å; E303-F305 VanDerWaalsContact C-N 3.3Å; E303-F305 PolarHBondContact O-N 2.95Å; F305-K307 VanDerWaalsContact C-N 3.33Å; F305-K307 PolarHBondContact O-N 3.24Å; F305-I308 PolarHBondContact O-N 2.88Å; F305-I308 VanDerWaalsContact O-N 3.07Å; F305-A309 HydrophobicContact CD1-CB 3.96Å; F305-A309 HydrophobicContact CE1-CB 3.54Å; F305-A309 HydrophobicContact CZ-CB 3.93Å; F305-A309 PolarHBondContact O-N 3.39Å
306	L	89.8	Confident	85.5	Confident	37 Å²	37	52.5 Å²	52.5	19%	0.194	27%	0.27	C	S	.	.	H	α-helix	trans	-64.8	-30.8	178.9	-70.2	172.1	0	0	0	113.5	S216 I221 G302 E303 I308 G310	S216-L306 WeakPolarHBondContact O-CD2 3.47Å; I221-L306 HydrophobicContact CD1-CD1 4.47Å; I221-L306 HydrophobicContact CD1-CD2 3.67Å; I221-L306 HydrophobicContact CD1-CG 3.75Å; I221-L306 HydrophobicContact CG1-CD1 4.48Å; I221-L306 HydrophobicContact CG1-CD2 4.24Å; I221-L306 HydrophobicContact CG1-CG 4.26Å; G302-L306 WeakPolarHBondContact O-CG 3.47Å; G302-L306 PolarHBondContact O-N 3.49Å; E303-L306 PolarHBondContact O-N 3.29Å; L306-I308 PolarHBondContact O-N 2.89Å; L306-G310 VanDerWaalsContact O-CA 3.27Å; L306-G310 WeakPolarHBondContact O-CA 3.37Å; L306-G310 PolarHBondContact O-N 2.7Å
307	K	86.4	Confident	84.5	Confident	126 Å²	126	52.7 Å²	52.7	55%	0.548	28%	0.281	S	S	.	.	H	α-helix	trans	-63.5	-24.9	173.2	-71.2	161.3	-152.1	158.4	0	112.5	E303 D304 F305	E303-K307 VanDerWaalsContact O-CG 3.25Å; E303-K307 WeakPolarHBondContact O-CG 3.05Å; E303-K307 PolarHBondContact O-N 3.27Å; E303-K307 WeakPolarHBondContact OE2-CE 3.31Å; E303-K307 IonicContact OE2-NZ 3.18Å; E303-K307 PolarHBondContact OE2-NZ 3.5Å; D304-K307 PolarHBondContact O-N 3.47Å; D304-K307 IonicContact OD1-NZ 3.36Å; D304-K307 PolarHBondContact OD1-NZ 3.48Å; F305-K307 VanDerWaalsContact C-N 3.33Å; F305-K307 PolarHBondContact O-N 3.24Å
308	I	86.6	Confident	83.5	Confident	46 Å²	46	59.4 Å²	59.4	24%	0.236	31%	0.312	C	S	.	.	H	α-helix	trans	-108.4	-29.8	-175.9	-59.5	-57.3	0	0	0	113	A256 L270 F305 L306 Q411	A256-I308 HydrophobicContact CB-CG2 4.02Å; L270-I308 HydrophobicContact CD1-CB 4.16Å; L270-I308 HydrophobicContact CD1-CG1 3.76Å; F305-I308 PolarHBondContact O-N 2.88Å; F305-I308 VanDerWaalsContact O-N 3.07Å; L306-I308 PolarHBondContact O-N 2.89Å; I308-Q411 HydrophobicContact CG2-CG 4.36Å; I308-Q411 VanDerWaalsContact O-CG 3.31Å; I308-Q411 WeakPolarHBondContact O-CG 3.43Å; I308-Q411 PolarHBondContact O-NE2 3.12Å
309	A	85	Confident	82.7	Confident	2 Å²	2	56.4 Å²	56.4	2%	0.017	30%	0.301	C	S	.	.	H	α-helix	trans	-127.9	4.6	-173.5	0	0	0	0	0	114.8	C215 A256 F305 G311 A407 Q410	C215-A309 HydrophobicContact CB-CB 4.44Å; C215-A309 WeakPolarHBondContact CB-O 3.3Å; A256-A309 HydrophobicContact CB-CB 3.9Å; F305-A309 HydrophobicContact CD1-CB 3.96Å; F305-A309 HydrophobicContact CE1-CB 3.54Å; F305-A309 HydrophobicContact CZ-CB 3.93Å; F305-A309 PolarHBondContact O-N 3.39Å; A309-G311 PolarHBondContact O-N 2.83Å; A309-A407 HydrophobicContact CB-CB 3.73Å; A309-Q410 PolarHBondContact O-OE1 2.98Å
310	G	79.5	Confident	81.8	Confident	7 Å²	7	52.5 Å²	52.5	7%	0.072	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	93.6	176.4	0	0	0	0	0	112	L306	L306-G310 VanDerWaalsContact O-CA 3.27Å; L306-G310 WeakPolarHBondContact O-CA 3.37Å; L306-G310 PolarHBondContact O-N 2.7Å
311	G	68.6	Low	80.8	Confident	13 Å²	13	55.7 Å²	55.7	13%	0.134	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	150.5	177.6	0	0	0	0	0	114.4	C215 K217 A309 Q410	C215-G311 PolarHBondContact O-N 2.98Å; K217-G311 PolarHBondContact N-O 2.66Å; A309-G311 PolarHBondContact O-N 2.83Å; G311-Q410 VanDerWaalsContact CA-CD 3.49Å
312	T	62.2	Low	79.6	Confident	98 Å²	98	56.9 Å²	56.9	60%	0.601	31%	0.308	S	S	*	.			trans	-138.7	4.3	171	59.3	0	0	0	0	114.5	K217	K217-T312 HydrophobicContact CB-CG2 3.56Å; K217-T312 HydrophobicContact CD-CG2 3.61Å; K217-T312 HydrophobicContact CG-CG2 4.17Å
313	S	68.4	Low	78.3	Confident	42 Å²	42	63.1 Å²	63.1	29%	0.294	34%	0.337	S	S	.	.			trans	-89	123.5	179.7	178.3	0	0	0	0	111.5	E315 V316 A317	S313-E315 VanDerWaalsContact C-N 3.28Å; S313-E315 PolarHBondContact O-N 2.81Å; S313-E315 PolarHBondContact OG-N 2.82Å; S313-V316 PolarHBondContact O-N 2.84Å; S313-A317 PolarHBondContact O-N 2.85Å
314	N	72.1	Confident	77.2	Confident	131 Å²	131	64.6 Å²	64.6	70%	0.701	35%	0.349	S	S	*	.	H	α-helix	trans	-63.2	-32.7	176.3	-70.7	-15	0	0	0	112.6	A317 Q318	N314-A317 PolarHBondContact O-N 2.81Å; N314-Q318 WeakPolarHBondContact O-CG 3.44Å; N314-Q318 PolarHBondContact O-N 3.35Å
315	E	74.1	Confident	76.7	Confident	108 Å²	108	64 Å²	64	51%	0.505	34%	0.344	S	S	.	.	H	α-helix	trans	-62.6	-44.1	174.3	177.1	-175	-146.1	0	0	110.9	S313 A317 Q318 F319 L360	S313-E315 VanDerWaalsContact C-N 3.28Å; S313-E315 PolarHBondContact O-N 2.81Å; S313-E315 PolarHBondContact OG-N 2.82Å; E315-A317 VanDerWaalsContact C-N 3.35Å; E315-Q318 PolarHBondContact O-N 2.59Å; E315-F319 WeakPolarHBondContact O-CB 3.42Å; E315-F319 PolarHBondContact O-N 2.84Å; E315-L360 HydrophobicContact CG-CD1 4.23Å
316	V	75.3	Confident	76.4	Confident	4 Å²	4	64.9 Å²	64.9	2%	0.024	35%	0.349	C	S	.	.	H	α-helix	trans	-68.2	-36.9	176.2	179.7	0	0	0	0	111.1	S313 Q318 F319 L320 V409 Q410 L413	S313-V316 PolarHBondContact O-N 2.84Å; V316-Q318 VanDerWaalsContact C-N 3.35Å; V316-F319 PolarHBondContact O-N 3.36Å; V316-L320 HydrophobicContact CG1-CD1 3.64Å; V316-L320 HydrophobicContact CG1-CG 4.23Å; V316-L320 VanDerWaalsContact O-CB 3.3Å; V316-L320 WeakPolarHBondContact O-CB 3.49Å; V316-L320 VanDerWaalsContact O-CG 3.31Å; V316-L320 WeakPolarHBondContact O-CG 3.4Å; V316-L320 PolarHBondContact O-N 2.67Å; V316-V409 HydrophobicContact CG1-CG1 3.93Å; V316-V409 HydrophobicContact CG2-CG1 4.4Å; V316-Q410 HydrophobicContact CG1-CG 3.8Å; V316-L413 HydrophobicContact CG2-CB 4.43Å; V316-L413 HydrophobicContact CG2-CD1 3.45Å; V316-L413 VanDerWaalsContact CG2-CD1 3.45Å
317	A	76	Confident	76.5	Confident	57 Å²	57	63.8 Å²	63.8	47%	0.471	34%	0.343	S	S	.	.	H	α-helix	trans	-64.1	-37.7	173	0	0	0	0	0	112.2	S313 N314 E315 S321	S313-A317 PolarHBondContact O-N 2.85Å; N314-A317 PolarHBondContact O-N 2.81Å; E315-A317 VanDerWaalsContact C-N 3.35Å; A317-S321 WeakPolarHBondContact O-CA 3.17Å; A317-S321 VanDerWaalsContact O-CB 3.26Å; A317-S321 WeakPolarHBondContact O-CB 3.22Å; A317-S321 PolarHBondContact O-N 2.59Å
318	Q	78.4	Confident	76.8	Confident	144 Å²	144	57.8 Å²	57.8	67%	0.673	32%	0.317	S	S	*	.	H	α-helix	trans	-69.4	-46.3	174.3	-75.9	178.6	-7.6	0	0	112	N314 E315 V316 L320 S321	N314-Q318 WeakPolarHBondContact O-CG 3.44Å; N314-Q318 PolarHBondContact O-N 3.35Å; E315-Q318 PolarHBondContact O-N 2.59Å; V316-Q318 VanDerWaalsContact C-N 3.35Å; Q318-L320 VanDerWaalsContact C-N 3.3Å; Q318-L320 PolarHBondContact O-N 3.02Å; Q318-S321 WeakPolarHBondContact O-CB 3.39Å; Q318-S321 PolarHBondContact O-N 3.11Å; Q318-S321 PolarHBondContact O-OG 3.37Å
319	F	80.7	Confident	77.1	Confident	17 Å²	17	55.8 Å²	55.8	8%	0.075	31%	0.307	C	S	.	.	H	α-helix	trans	-58	-42.6	176.1	-178.1	-110.4	0	0	0	111.8	E315 V316 L360 F374 L376 V409	E315-F319 WeakPolarHBondContact O-CB 3.42Å; E315-F319 PolarHBondContact O-N 2.84Å; V316-F319 PolarHBondContact O-N 3.36Å; F319-L360 HydrophobicContact CB-CD2 3.98Å; F319-L360 HydrophobicContact CD1-CB 4.34Å; F319-L360 HydrophobicContact CD1-CD2 3.71Å; F319-L360 HydrophobicContact CD2-CB 3.64Å; F319-L360 HydrophobicContact CD2-CD2 4.08Å; F319-L360 HydrophobicContact CD2-CG 4.47Å; F319-L360 HydrophobicContact CE1-CB 4.15Å; F319-L360 HydrophobicContact CE1-CD2 4.14Å; F319-L360 HydrophobicContact CE2-CB 3.41Å; F319-L360 VanDerWaalsContact CE2-CB 3.41Å; F319-L360 HydrophobicContact CE2-CD2 4.47Å; F319-L360 HydrophobicContact CG-CB 4.1Å; F319-L360 HydrophobicContact CG-CD2 3.67Å; F319-L360 HydrophobicContact CZ-CB 3.68Å; F319-L360 HydrophobicContact CZ-CD2 4.49Å; F319-F374 HydrophobicContact CE1-CB 3.92Å; F319-F374 HydrophobicContact CZ-CB 3.8Å; F319-L376 HydrophobicContact CD1-CD1 4.42Å; F319-L376 HydrophobicContact CD1-CD2 4.47Å; F319-L376 HydrophobicContact CD2-CD1 3.66Å; F319-L376 HydrophobicContact CD2-CG 4.29Å; F319-L376 HydrophobicContact CE1-CD1 4.26Å; F319-L376 HydrophobicContact CE1-CD2 3.87Å; F319-L376 HydrophobicContact CE1-CG 4.03Å; F319-L376 HydrophobicContact CE2-CD1 3.47Å; F319-L376 VanDerWaalsContact CE2-CD1 3.47Å; F319-L376 HydrophobicContact CE2-CD2 4.38Å; F319-L376 HydrophobicContact CE2-CG 3.63Å; F319-L376 HydrophobicContact CG-CD1 4.15Å; F319-L376 HydrophobicContact CZ-CD1 3.8Å; F319-L376 HydrophobicContact CZ-CD2 3.83Å; F319-L376 HydrophobicContact CZ-CG 3.48Å; F319-L376 VanDerWaalsContact CZ-CG 3.48Å; F319-L376 VanDerWaalsContact O-CD1 3.3Å; F319-L376 WeakPolarHBondContact O-CD1 3.43Å; F319-V409 HydrophobicContact CD1-CG1 4.3Å; F319-V409 HydrophobicContact CE1-CG1 4.42Å; F319-V409 HydrophobicContact CE1-CG2 4.41Å
320	L	77.9	Confident	77.5	Confident	33 Å²	33	55.7 Å²	55.7	17%	0.173	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	5.6	-179.1	-56.9	178.6	0	0	0	114.2	T214 V316 Q318 K322 I327 A406	T214-L320 HydrophobicContact CG2-CB 3.84Å; T214-L320 HydrophobicContact CG2-CD1 3.43Å; T214-L320 VanDerWaalsContact CG2-CD1 3.43Å; T214-L320 HydrophobicContact CG2-CG 4.29Å; V316-L320 HydrophobicContact CG1-CD1 3.64Å; V316-L320 HydrophobicContact CG1-CG 4.23Å; V316-L320 VanDerWaalsContact O-CB 3.3Å; V316-L320 WeakPolarHBondContact O-CB 3.49Å; V316-L320 VanDerWaalsContact O-CG 3.31Å; V316-L320 WeakPolarHBondContact O-CG 3.4Å; V316-L320 PolarHBondContact O-N 2.67Å; Q318-L320 VanDerWaalsContact C-N 3.3Å; Q318-L320 PolarHBondContact O-N 3.02Å; L320-K322 PolarHBondContact O-N 2.78Å; L320-I327 HydrophobicContact CD2-CD1 3.67Å; L320-I327 HydrophobicContact CD2-CG1 4.27Å; L320-A406 HydrophobicContact CD1-CB 3.71Å
321	S	74.6	Confident	78.1	Confident	82 Å²	82	57 Å²	57	57%	0.573	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-20.3	179.4	63.9	0	0	0	0	113.8	A317 Q318 E323	A317-S321 WeakPolarHBondContact O-CA 3.17Å; A317-S321 VanDerWaalsContact O-CB 3.26Å; A317-S321 WeakPolarHBondContact O-CB 3.22Å; A317-S321 PolarHBondContact O-N 2.59Å; Q318-S321 WeakPolarHBondContact O-CB 3.39Å; Q318-S321 PolarHBondContact O-N 3.11Å; Q318-S321 PolarHBondContact O-OG 3.37Å; S321-E323 PolarHBondContact O-N 2.85Å
322	K	70.3	Confident	79.2	Confident	72 Å²	72	57.2 Å²	57.2	31%	0.313	31%	0.311	S	S	.	.	S	Bend	trans	-86.9	109	-176.3	-52.1	167.7	-175.4	164.1	0	109	L320 Q325 E357	L320-K322 PolarHBondContact O-N 2.78Å; K322-Q325 VanDerWaalsContact CB-CD 3.48Å; K322-Q325 HydrophobicContact CB-CG 4.32Å; K322-Q325 WeakPolarHBondContact O-CG 3.4Å; K322-E357 PolarHBondContact NZ-O 3.36Å
323	E	63.4	Low	80.7	Confident	133 Å²	133	52.9 Å²	52.9	62%	0.621	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	160.6	-176.4	-64.1	-156	114.2	0	0	114.1	K252 S321 Q325	K252-E323 IonicContact NZ-OE1 3.53Å; K252-E323 PolarHBondContact NZ-OE1 3.16Å; S321-E323 PolarHBondContact O-N 2.85Å; E323-Q325 VanDerWaalsContact C-N 3.33Å; E323-Q325 WeakPolarHBondContact O-CG 3.35Å; E323-Q325 PolarHBondContact O-N 2.83Å
324	N	67.3	Low	81.9	Confident	150 Å²	150	52.1 Å²	52.1	80%	0.802	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	27	176.1	-61.1	-49	0	0	0	116.1
325	Q	81.8	Confident	82.9	Confident	41 Å²	41	53.1 Å²	53.1	19%	0.192	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-101.2	145.1	-179.1	-57.7	-165.7	-0.1	0	0	113.3	K322 E323 L376 F377	K322-Q325 VanDerWaalsContact CB-CD 3.48Å; K322-Q325 HydrophobicContact CB-CG 4.32Å; K322-Q325 WeakPolarHBondContact O-CG 3.4Å; E323-Q325 VanDerWaalsContact C-N 3.33Å; E323-Q325 WeakPolarHBondContact O-CG 3.35Å; E323-Q325 PolarHBondContact O-N 2.83Å; Q325-L376 HydrophobicContact CB-CD2 4.34Å; Q325-F377 WeakPolarHBondContact CA-O 3.26Å
326	V	86.8	Confident	83.7	Confident	19 Å²	19	53.6 Å²	53.6	12%	0.115	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	127.7	177.1	-174.8	0	0	0	0	109.3	F377 A383	V326-F377 PolarHBondContact N-O 3.2Å; V326-F377 PolarHBondContact O-N 3.03Å; V326-A383 HydrophobicContact CB-CB 3.77Å; V326-A383 HydrophobicContact CG1-CB 3.43Å; V326-A383 VanDerWaalsContact CG1-CB 3.43Å
327	I	90.6	Very high	84.5	Confident	14 Å²	14	54.3 Å²	54.3	7%	0.072	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.8	-174.9	-48.1	161.1	0	0	0	109.1	L320 F374 V375 L376 S404 V409	L320-I327 HydrophobicContact CD2-CD1 3.67Å; L320-I327 HydrophobicContact CD2-CG1 4.27Å; I327-F374 HydrophobicContact CG2-CB 4.21Å; I327-F374 HydrophobicContact CG2-CD1 3.89Å; I327-F374 HydrophobicContact CG2-CG 4.48Å; I327-V375 WeakPolarHBondContact CA-O 3.39Å; I327-L376 HydrophobicContact CG1-CD2 3.9Å; I327-S404 PolarHBondContact O-N 2.91Å; I327-V409 HydrophobicContact CD1-CG2 4.11Å; I327-V409 HydrophobicContact CG2-CG2 3.93Å
328	V	92.7	Very high	85.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129	168.4	-179.8	0	0	0	0	109.1	F374 V375 F377 A383 L387 L401 F402	V328-F374 CarbonylContact O-C 3.34Å; V328-F374 WeakPolarHBondContact O-CA 3.48Å; V328-V375 PolarHBondContact N-O 3.02Å; V328-V375 PolarHBondContact O-N 3Å; V328-F377 HydrophobicContact CB-CD2 4.35Å; V328-F377 HydrophobicContact CB-CE2 3.91Å; V328-F377 HydrophobicContact CG2-CD2 3.8Å; V328-F377 HydrophobicContact CG2-CE2 3.71Å; V328-A383 HydrophobicContact CG2-CB 4.16Å; V328-L387 HydrophobicContact CG1-CD2 4.07Å; V328-L387 HydrophobicContact CG2-CD2 4.5Å; V328-L387 HydrophobicContact CG2-CG 4.46Å; V328-L401 HydrophobicContact CG1-CB 4.19Å; V328-L401 HydrophobicContact CG1-CD2 4.38Å; V328-F402 CarbonylContact C-O 3.59Å; V328-F402 WeakPolarHBondContact CA-O 3.36Å
329	R	92.8	Very high	86	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.015	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	126.4	171	-176.9	177.5	175.5	-164.2	-1.4	110.1	G263 R331 D372 A373 F374 L401 F402 S404 E408	G263-R329 PolarHBondContact O-NH1 3.32Å; G263-R329 PolarHBondContact O-NH2 3.14Å; R329-R331 HydrophobicContact CG-CG 4.18Å; R329-R331 VanDerWaalsContact NH2-CZ 3.26Å; R329-D372 IonicContact CZ-OD2 2.71Å; R329-D372 IonicContact NE-OD2 3.41Å; R329-D372 PolarHBondContact NE-OD2 3.02Å; R329-D372 IonicContact NH2-OD2 3.34Å; R329-D372 PolarHBondContact NH2-OD2 3.21Å; R329-A373 CarbonylContact C-O 3.57Å; R329-A373 WeakPolarHBondContact CA-O 3.4Å; R329-F374 HydrophobicContact CB-CD1 3.72Å; R329-F374 HydrophobicContact CB-CE1 3.63Å; R329-F374 HydrophobicContact CG-CD1 4.03Å; R329-F374 HydrophobicContact CG-CE1 3.69Å; R329-F374 HydrophobicContact CG-CZ 4.11Å; R329-L401 WeakPolarHBondContact O-CA 3.34Å; R329-F402 PolarHBondContact N-O 3.44Å; R329-F402 PolarHBondContact O-N 2.91Å; R329-S404 WeakPolarHBondContact CB-OG 3.32Å; R329-E408 WeakPolarHBondContact CD-OE1 3.44Å; R329-E408 IonicContact CZ-OE1 3.42Å; R329-E408 IonicContact NE-OE1 2.66Å; R329-E408 IonicContact NH1-OE1 2.77Å; R329-E408 PolarHBondContact NH1-OE1 3.23Å
330	M	94.4	Very high	86.7	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	141.9	167.4	-51.7	-179.9	83.8	0	0	109.2	L333 V342 F345 F346 D372 A373 V375 I399 E400 L401	M330-L333 HydrophobicContact CB-CD1 4.06Å; M330-L333 HydrophobicContact CB-CG 4.32Å; M330-L333 HydrophobicContact CE-CD2 3.95Å; M330-L333 HydrophobicContact SD-CD1 4.41Å; M330-L333 HydrophobicContact SD-CD2 4.38Å; M330-V342 HydrophobicContact CE-CG1 4.06Å; M330-V342 HydrophobicContact CE-CG2 4.31Å; M330-V342 HydrophobicContact SD-CG1 3.58Å; M330-V342 VanDerWaalsContact SD-CG1 3.58Å; M330-V342 HydrophobicContact SD-CG2 4.2Å; M330-F345 HydrophobicContact CE-CD1 3.8Å; M330-F345 HydrophobicContact CE-CE1 3.96Å; M330-F346 HydrophobicContact CE-CE2 3.57Å; M330-F346 HydrophobicContact CE-CZ 3.78Å; M330-F346 HydrophobicContact CG-CE2 4.38Å; M330-F346 HydrophobicContact CG-CZ 4.24Å; M330-F346 HydrophobicContact SD-CE2 3.68Å; M330-F346 HydrophobicContact SD-CZ 4.08Å; M330-D372 WeakPolarHBondContact O-CA 3.47Å; M330-A373 PolarHBondContact N-O 3.03Å; M330-A373 PolarHBondContact O-N 2.84Å; M330-V375 HydrophobicContact CG-CG2 3.99Å; M330-V375 HydrophobicContact SD-CG2 3.59Å; M330-V375 VanDerWaalsContact SD-CG2 3.59Å; M330-I399 HydrophobicContact CB-CG2 4.1Å; M330-I399 HydrophobicContact CE-CG2 3.9Å; M330-E400 CarbonylContact C-O 3.54Å; M330-L401 HydrophobicContact CB-CD2 4.17Å; M330-L401 HydrophobicContact CE-CD2 4.28Å; M330-L401 HydrophobicContact CG-CD2 3.72Å
331	R	92.3	Very high	87.4	Confident	35 Å²	35	54.4 Å²	54.4	13%	0.132	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.2	172.1	-49.7	-163	71	-179.1	6.6	111.8	G263 R329 G371 D372 E400 F402	G263-R331 PolarHBondContact O-NH1 3.4Å; R329-R331 HydrophobicContact CG-CG 4.18Å; R329-R331 VanDerWaalsContact NH2-CZ 3.26Å; R331-G371 CarbonylContact C-O 3.59Å; R331-D372 WeakPolarHBondContact CA-OD1 3.36Å; R331-D372 VanDerWaalsContact CB-OD1 3.29Å; R331-D372 WeakPolarHBondContact CB-OD1 3.33Å; R331-D372 WeakPolarHBondContact CG-OD1 3.38Å; R331-D372 IonicContact CZ-OD1 2.67Å; R331-D372 IonicContact CZ-OD2 3.43Å; R331-D372 VanDerWaalsContact CZ-OD2 3.32Å; R331-D372 VanDerWaalsContact NE-CG 3.3Å; R331-D372 IonicContact NE-OD1 3.19Å; R331-D372 PolarHBondContact NE-OD1 3.48Å; R331-D372 IonicContact NE-OD2 3.22Å; R331-D372 PolarHBondContact NE-OD2 3.31Å; R331-D372 IonicContact NH2-OD1 2.92Å; R331-D372 IonicContact NH2-OD2 2.71Å; R331-D372 PolarHBondContact NH2-OD2 2.97Å; R331-E400 HydrophobicContact CB-CB 4.28Å; R331-E400 PolarHBondContact N-O 3.14Å; R331-E400 PolarHBondContact O-N 3.06Å; R331-F402 HydrophobicContact CG-CD2 4.16Å; R331-F402 HydrophobicContact CG-CE2 3.97Å
332	G	91.8	Very high	88.3	Confident	18 Å²	18	50.5 Å²	50.5	19%	0.186	26%	0.264	C	S	.	.	S	Bend	trans	85.7	10.3	176.8	0	0	0	0	0	115	G371 R397	G332-G371 PolarHBondContact N-O 3.2Å; G332-R397 WeakPolarHBondContact O-CB 3.48Å; G332-R397 PolarHBondContact O-NE 3.07Å; G332-R397 VanDerWaalsContact O-NE 3.12Å
333	L	94.1	Very high	89.5	Confident	6 Å²	6	49.8 Å²	49.8	3%	0.031	27%	0.265	C	S	.	.			trans	-51.4	141.2	177.1	-72.6	165.3	0	0	0	111.4	M330 A337 V342 F361 G371 A373 L394 I399	M330-L333 HydrophobicContact CB-CD1 4.06Å; M330-L333 HydrophobicContact CB-CG 4.32Å; M330-L333 HydrophobicContact CE-CD2 3.95Å; M330-L333 HydrophobicContact SD-CD1 4.41Å; M330-L333 HydrophobicContact SD-CD2 4.38Å; L333-A337 HydrophobicContact CB-CB 4.47Å; L333-A337 HydrophobicContact CD2-CB 4.44Å; L333-V342 HydrophobicContact CD2-CG2 4.15Å; L333-F361 HydrophobicContact CD1-CE1 4.25Å; L333-G371 WeakPolarHBondContact CB-O 3.43Å; L333-G371 PolarHBondContact N-O 2.96Å; L333-A373 HydrophobicContact CD1-CB 3.54Å; L333-L394 HydrophobicContact CD2-CD1 3.85Å; L333-I399 HydrophobicContact CD2-CD1 3.87Å; L333-I399 HydrophobicContact CD2-CG1 4.48Å; L333-I399 HydrophobicContact CG-CD1 4.27Å
334	P	93.3	Very high	90.8	Very high	27 Å²	27	47 Å²	47	18%	0.175	26%	0.264	C	S	.	.			trans	-53.8	141.1	166.7	-21.6	30.1	0	0	0	111.5	T336 A337 L394 R397	P334-T336 PolarHBondContact O-N 3.29Å; P334-A337 HydrophobicContact CB-CB 4.24Å; P334-A337 HydrophobicContact CG-CB 4.43Å; P334-A337 WeakPolarHBondContact O-CB 3.48Å; P334-A337 PolarHBondContact O-N 3.05Å; P334-L394 HydrophobicContact CG-CD2 3.99Å; P334-R397 HydrophobicContact CB-CG 4.44Å; P334-R397 HydrophobicContact CG-CB 4.17Å; P334-R397 HydrophobicContact CG-CG 3.79Å
335	F	91.8	Very high	92.1	Very high	152 Å²	152	40.7 Å²	40.7	67%	0.667	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-5.2	175.1	-56.8	-41.5	0	0	0	114.1	P369	F335-P369 HydrophobicContact CB-CG 3.96Å; F335-P369 HydrophobicContact CD1-CG 4.34Å; F335-P369 WeakPolarHBondContact O-CG 3.39Å
336	T	91.6	Very high	92.6	Very high	118 Å²	118	39 Å²	39	72%	0.724	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105	4.2	172.7	59.6	0	0	0	0	112.8	P334 T338	P334-T336 PolarHBondContact O-N 3.29Å; T336-T338 PolarHBondContact O-N 3.26Å
337	A	92.6	Very high	92.5	Very high	18 Å²	18	39.4 Å²	39.4	15%	0.149	23%	0.231	C	C	.	.			trans	-68.7	130.3	-173.5	0	0	0	0	0	111.8	L333 P334 E341 L394	L333-A337 HydrophobicContact CB-CB 4.47Å; L333-A337 HydrophobicContact CD2-CB 4.44Å; P334-A337 HydrophobicContact CB-CB 4.24Å; P334-A337 HydrophobicContact CG-CB 4.43Å; P334-A337 WeakPolarHBondContact O-CB 3.48Å; P334-A337 PolarHBondContact O-N 3.05Å; A337-E341 WeakPolarHBondContact CA-OE2 3.19Å; A337-L394 HydrophobicContact CB-CD2 4.39Å
338	T	93.4	Very high	92.1	Very high	58 Å²	58	47.9 Å²	47.9	36%	0.356	27%	0.27	S	S	.	.			trans	-95.5	162.5	-179.8	58.1	0	0	0	0	112	T336 E340 E341 V342	T336-T338 PolarHBondContact O-N 3.26Å; T338-E340 WeakPolarHBondContact CB-OE2 3.39Å; T338-E340 PolarHBondContact O-N 2.83Å; T338-E341 WeakPolarHBondContact CB-OE2 3.44Å; T338-E341 PolarHBondContact N-OE2 3.43Å; T338-E341 PolarHBondContact O-N 2.95Å; T338-E341 WeakPolarHBondContact OG1-CB 3.19Å; T338-E341 VanDerWaalsContact OG1-CG 3.26Å; T338-E341 WeakPolarHBondContact OG1-CG 3.4Å; T338-E341 PolarHBondContact OG1-N 3.43Å; T338-E341 PolarHBondContact OG1-OE2 3.43Å; T338-V342 PolarHBondContact O-N 2.85Å
339	A	92.9	Very high	91.4	Very high	19 Å²	19	55.3 Å²	55.3	16%	0.157	30%	0.304	C	S	.	.	H	α-helix	trans	-62.4	-35.3	174	0	0	0	0	0	111	V342 V343 K356 I359 F361	A339-V342 PolarHBondContact O-N 3.1Å; A339-V343 WeakPolarHBondContact O-CG2 3.39Å; A339-V343 PolarHBondContact O-N 3.03Å; A339-K356 HydrophobicContact CB-CB 4.1Å; A339-K356 HydrophobicContact CB-CD 4.31Å; A339-K356 HydrophobicContact CB-CG 4.01Å; A339-I359 HydrophobicContact CB-CD1 4.16Å; A339-F361 HydrophobicContact CB-CE2 4.12Å
340	E	93.5	Very high	91.1	Very high	97 Å²	97	55.4 Å²	55.4	45%	0.453	31%	0.305	S	S	.	.	H	α-helix	trans	-60.7	-46.5	175.5	-67.5	76.5	-175.3	0	0	112.1	T338 V342 V343 A344 K356	T338-E340 WeakPolarHBondContact CB-OE2 3.39Å; T338-E340 PolarHBondContact O-N 2.83Å; E340-V342 VanDerWaalsContact C-N 3.33Å; E340-V342 PolarHBondContact O-N 3.42Å; E340-V343 PolarHBondContact O-N 3.46Å; E340-A344 WeakPolarHBondContact O-CB 3.42Å; E340-A344 PolarHBondContact O-N 3Å; E340-K356 WeakPolarHBondContact OE1-CE 3.36Å; E340-K356 IonicContact OE1-NZ 2.69Å; E340-K356 PolarHBondContact OE1-NZ 3.13Å
341	E	93.3	Very high	90.7	Very high	80 Å²	80	58 Å²	58	37%	0.374	32%	0.322	S	S	.	.	H	α-helix	trans	-65.7	-34.4	175.7	-74.8	165.3	118	0	0	112.3	A337 T338 A344 F345 L394	A337-E341 WeakPolarHBondContact CA-OE2 3.19Å; T338-E341 WeakPolarHBondContact CB-OE2 3.44Å; T338-E341 PolarHBondContact N-OE2 3.43Å; T338-E341 PolarHBondContact O-N 2.95Å; T338-E341 WeakPolarHBondContact OG1-CB 3.19Å; T338-E341 VanDerWaalsContact OG1-CG 3.26Å; T338-E341 WeakPolarHBondContact OG1-CG 3.4Å; T338-E341 PolarHBondContact OG1-N 3.43Å; T338-E341 PolarHBondContact OG1-OE2 3.43Å; E341-A344 PolarHBondContact O-N 2.87Å; E341-F345 VanDerWaalsContact O-CB 3.24Å; E341-F345 WeakPolarHBondContact O-CB 3.3Å; E341-F345 PolarHBondContact O-N 3.16Å; E341-L394 HydrophobicContact CB-CD2 4.27Å
342	V	94.3	Very high	90.6	Very high	0 Å²	0	57 Å²	57	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-69.8	-42.4	174.7	170.6	0	0	0	0	111.5	M330 L333 T338 A339 E340 A344 F345 F346 I352 I359 F361 V375 L394	M330-V342 HydrophobicContact CE-CG1 4.06Å; M330-V342 HydrophobicContact CE-CG2 4.31Å; M330-V342 HydrophobicContact SD-CG1 3.58Å; M330-V342 VanDerWaalsContact SD-CG1 3.58Å; M330-V342 HydrophobicContact SD-CG2 4.2Å; L333-V342 HydrophobicContact CD2-CG2 4.15Å; T338-V342 PolarHBondContact O-N 2.85Å; A339-V342 PolarHBondContact O-N 3.1Å; E340-V342 VanDerWaalsContact C-N 3.33Å; E340-V342 PolarHBondContact O-N 3.42Å; V342-A344 VanDerWaalsContact C-N 3.33Å; V342-A344 PolarHBondContact O-N 2.88Å; V342-F345 PolarHBondContact O-N 3.48Å; V342-F346 HydrophobicContact CG1-CD2 4.19Å; V342-F346 HydrophobicContact CG1-CE2 4.06Å; V342-F346 WeakPolarHBondContact O-CD2 3.24Å; V342-F346 PolarHBondContact O-N 3.1Å; V342-I352 HydrophobicContact CG1-CD1 4.18Å; V342-I359 HydrophobicContact CB-CD1 3.87Å; V342-I359 HydrophobicContact CG1-CD1 3.59Å; V342-I359 HydrophobicContact CG1-CG1 4.13Å; V342-I359 HydrophobicContact CG1-CG2 4.36Å; V342-F361 HydrophobicContact CG2-CE1 4.35Å; V342-F361 HydrophobicContact CG2-CZ 4.04Å; V342-V375 HydrophobicContact CG1-CG2 4.15Å; V342-L394 HydrophobicContact CG2-CD1 4.27Å
343	V	94.3	Very high	90.4	Very high	56 Å²	56	57.6 Å²	57.6	34%	0.339	32%	0.319	S	S	.	.	H	α-helix	trans	-59.5	-44.9	171.7	172.5	0	0	0	0	110.6	A339 E340 F346 G347 I352 I359	A339-V343 WeakPolarHBondContact O-CG2 3.39Å; A339-V343 PolarHBondContact O-N 3.03Å; E340-V343 PolarHBondContact O-N 3.46Å; V343-F346 PolarHBondContact O-N 3.46Å; V343-G347 PolarHBondContact O-N 3.16Å; V343-I352 HydrophobicContact CB-CD1 4.47Å; V343-I352 HydrophobicContact CG2-CD1 3.98Å; V343-I359 HydrophobicContact CG2-CD1 3.98Å
344	A	92.4	Very high	89.9	Confident	74 Å²	74	60 Å²	60	61%	0.612	35%	0.345	S	S	*	.	H	α-helix	trans	-67	-36.2	178.5	0	0	0	0	0	113.1	E340 E341 V342 F346 G347	E340-A344 WeakPolarHBondContact O-CB 3.42Å; E340-A344 PolarHBondContact O-N 3Å; E341-A344 PolarHBondContact O-N 2.87Å; V342-A344 VanDerWaalsContact C-N 3.33Å; V342-A344 PolarHBondContact O-N 2.88Å; A344-F346 PolarHBondContact O-N 2.89Å; A344-G347 PolarHBondContact O-N 2.86Å
345	F	92.8	Very high	89.6	Confident	19 Å²	19	59.9 Å²	59.9	8%	0.083	35%	0.349	C	S	.	.	H	α-helix	trans	-60.8	-43	177	171.3	-92.3	0	0	0	112	M330 E341 V342 K389 D392 L394 I399 L401	M330-F345 HydrophobicContact CE-CD1 3.8Å; M330-F345 HydrophobicContact CE-CE1 3.96Å; E341-F345 VanDerWaalsContact O-CB 3.24Å; E341-F345 WeakPolarHBondContact O-CB 3.3Å; E341-F345 PolarHBondContact O-N 3.16Å; V342-F345 PolarHBondContact O-N 3.48Å; F345-K389 HydrophobicContact CE1-CB 4.32Å; F345-K389 HydrophobicContact CZ-CB 4.2Å; F345-K389 PolarHBondContact O-NZ 3.31Å; F345-D392 HydrophobicContact CE2-CB 3.63Å; F345-D392 HydrophobicContact CZ-CB 3.84Å; F345-L394 HydrophobicContact CB-CD1 3.86Å; F345-L394 HydrophobicContact CB-CG 4.42Å; F345-L394 HydrophobicContact CD2-CB 3.96Å; F345-L394 HydrophobicContact CD2-CD1 4.13Å; F345-L394 HydrophobicContact CD2-CG 4.24Å; F345-L394 HydrophobicContact CE2-CB 4.37Å; F345-L394 HydrophobicContact CG-CD1 4.03Å; F345-I399 HydrophobicContact CE2-CB 4.36Å; F345-I399 HydrophobicContact CE2-CG1 4.17Å; F345-I399 HydrophobicContact CZ-CB 4.03Å; F345-I399 HydrophobicContact CZ-CG1 4.29Å; F345-I399 HydrophobicContact CZ-CG2 4.41Å; F345-L401 HydrophobicContact CE1-CD1 4.16Å; F345-L401 HydrophobicContact CE1-CD2 4.45Å; F345-L401 HydrophobicContact CZ-CD1 4.47Å
346	F	92.3	Very high	89.3	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.018	34%	0.34	C	S	.	.	H	α-helix	trans	-77.2	-39.6	174.7	-72.3	-63.6	0	0	0	112.6	M330 V342 V343 A344 C350 I352 V375 F377 A386 L401	M330-F346 HydrophobicContact CE-CE2 3.57Å; M330-F346 HydrophobicContact CE-CZ 3.78Å; M330-F346 HydrophobicContact CG-CE2 4.38Å; M330-F346 HydrophobicContact CG-CZ 4.24Å; M330-F346 HydrophobicContact SD-CE2 3.68Å; M330-F346 HydrophobicContact SD-CZ 4.08Å; V342-F346 HydrophobicContact CG1-CD2 4.19Å; V342-F346 HydrophobicContact CG1-CE2 4.06Å; V342-F346 WeakPolarHBondContact O-CD2 3.24Å; V342-F346 PolarHBondContact O-N 3.1Å; V343-F346 PolarHBondContact O-N 3.46Å; A344-F346 PolarHBondContact O-N 2.89Å; F346-C350 HydrophobicContact CB-CB 4.18Å; F346-I352 HydrophobicContact CD2-CD1 3.9Å; F346-I352 HydrophobicContact CD2-CG1 4.31Å; F346-V375 HydrophobicContact CE2-CB 4.48Å; F346-V375 HydrophobicContact CE2-CG1 4.21Å; F346-V375 HydrophobicContact CE2-CG2 4.12Å; F346-F377 HydrophobicContact CD1-CZ 4.03Å; F346-F377 HydrophobicContact CD2-CZ 4.22Å; F346-F377 HydrophobicContact CE1-CZ 4.12Å; F346-F377 HydrophobicContact CE2-CZ 4.27Å; F346-F377 HydrophobicContact CG-CZ 4.09Å; F346-F377 HydrophobicContact CZ-CZ 4.22Å; F346-A386 HydrophobicContact CD1-CB 3.66Å; F346-A386 HydrophobicContact CE1-CB 3.53Å; F346-L401 HydrophobicContact CE1-CD1 3.91Å; F346-L401 HydrophobicContact CE1-CD2 4.34Å; F346-L401 HydrophobicContact CZ-CD1 4.32Å; F346-L401 HydrophobicContact CZ-CD2 3.91Å
347	G	86.4	Confident	89	Confident	29 Å²	29	59.1 Å²	59.1	30%	0.299	34%	0.338	S	S	.	.			trans	69.8	-176.4	175	0	0	0	0	0	114.1	V343 A344 H349 C350	V343-G347 PolarHBondContact O-N 3.16Å; A344-G347 PolarHBondContact O-N 2.86Å; G347-H349 PolarHBondContact O-N 2.92Å; G347-H349 VanDerWaalsContact O-N 3.13Å; G347-C350 CarbonylContact O-C 3.5Å; G347-C350 PolarHBondContact O-N 3.45Å; G347-C350 VanDerWaalsContact O-N 3.14Å
348	Q	81.1	Confident	88.8	Confident	191 Å²	191	58.2 Å²	58.2	89%	0.893	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.9	-173.1	-63.6	-174	4.4	0	0	114.3	C350	Q348-C350 VanDerWaalsContact C-N 3.33Å
349	H	78.6	Confident	88.7	Confident	157 Å²	157	56.4 Å²	56.4	73%	0.727	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-15	177.2	-57.8	-61.3	0	0	0	114	G347	G347-H349 PolarHBondContact O-N 2.92Å; G347-H349 VanDerWaalsContact O-N 3.13Å
350	C	85.8	Confident	88.6	Confident	5 Å²	5	56.1 Å²	56.1	3%	0.034	31%	0.314	C	S	.	.	S	Bend	trans	-138.4	71.1	178.3	-39.4	0	0	0	0	109.3	F346 G347 Q348 I352 F377 N385 A386	F346-C350 HydrophobicContact CB-CB 4.18Å; G347-C350 CarbonylContact O-C 3.5Å; G347-C350 PolarHBondContact O-N 3.45Å; G347-C350 VanDerWaalsContact O-N 3.14Å; Q348-C350 VanDerWaalsContact C-N 3.33Å; C350-I352 PolarHBondContact O-N 2.8Å; C350-F377 HydrophobicContact CB-CE1 4Å; C350-F377 WeakPolarHBondContact O-CE1 3.23Å; C350-N385 VanDerWaalsContact SG-C 3.56Å; C350-N385 WeakPolarHBondContact SG-CB 3.38Å; C350-A386 HydrophobicContact CB-CB 4.32Å
351	P	87.2	Confident	88.6	Confident	54 Å²	54	54.4 Å²	54.4	35%	0.351	31%	0.305	S	S	.	.			trans	-66.7	127.8	-175.4	27.1	-34.7	0	0	0	112.1	Y382	P351-Y382 HydrophobicContact CG-CD1 4.47Å; P351-Y382 HydrophobicContact CG-CD2 3.67Å; P351-Y382 HydrophobicContact CG-CE1 4.31Å; P351-Y382 HydrophobicContact CG-CE2 3.47Å; P351-Y382 VanDerWaalsContact CG-CE2 3.47Å; P351-Y382 HydrophobicContact CG-CG 4.18Å
352	I	90.1	Very high	88.4	Confident	16 Å²	16	50.7 Å²	50.7	8%	0.082	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-77	136.7	176.9	-55.4	176.6	0	0	0	109.9	V342 V343 F346 C350 G354 G355 I359 V375 L376 F377	V342-I352 HydrophobicContact CG1-CD1 4.18Å; V343-I352 HydrophobicContact CB-CD1 4.47Å; V343-I352 HydrophobicContact CG2-CD1 3.98Å; F346-I352 HydrophobicContact CD2-CD1 3.9Å; F346-I352 HydrophobicContact CD2-CG1 4.31Å; C350-I352 PolarHBondContact O-N 2.8Å; I352-G354 PolarHBondContact O-N 2.82Å; I352-G355 VanDerWaalsContact CG2-O 3.22Å; I352-G355 WeakPolarHBondContact CG2-O 3.25Å; I352-G355 PolarHBondContact O-N 2.86Å; I352-I359 HydrophobicContact CD1-CD1 3.89Å; I352-I359 HydrophobicContact CD1-CG1 4.01Å; I352-I359 HydrophobicContact CG2-CG1 4.13Å; I352-V375 HydrophobicContact CB-CG1 4.26Å; I352-V375 HydrophobicContact CD1-CG1 3.75Å; I352-V375 HydrophobicContact CG1-CG1 3.71Å; I352-V375 HydrophobicContact CG2-CG1 3.66Å; I352-L376 WeakPolarHBondContact CG2-O 3.3Å; I352-F377 HydrophobicContact CG1-CE1 4.22Å; I352-F377 HydrophobicContact CG1-CZ 4.47Å
353	T	87	Confident	88.1	Confident	29 Å²	29	53.5 Å²	53.5	18%	0.178	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	102.5	-172.3	-41.4	0	0	0	0	113.2	G358 L376 F377 A378	T353-G358 VanDerWaalsContact O-CA 3.31Å; T353-G358 WeakPolarHBondContact O-CA 3.3Å; T353-L376 PolarHBondContact N-O 3.3Å; T353-L376 PolarHBondContact OG1-O 3.07Å; T353-F377 WeakPolarHBondContact OG1-CA 3.18Å; T353-A378 HydrophobicContact CG2-CB 4.26Å; T353-A378 WeakPolarHBondContact OG1-CA 3.3Å; T353-A378 PolarHBondContact OG1-N 3.38Å
354	G	82.6	Confident	87.8	Confident	56 Å²	56	55.3 Å²	55.3	58%	0.577	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	11.9	-171.6	0	0	0	0	0	113.5	I352 K356 E357	I352-G354 PolarHBondContact O-N 2.82Å; G354-K356 PolarHBondContact O-N 3.16Å; G354-K356 VanDerWaalsContact O-N 3.13Å; G354-E357 PolarHBondContact O-N 3.46Å
355	G	87.1	Confident	87.3	Confident	25 Å²	25	56.1 Å²	56.1	26%	0.258	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	61.8	-113.8	179.7	0	0	0	0	0	111.5	I352 E357 G358	I352-G355 VanDerWaalsContact CG2-O 3.22Å; I352-G355 WeakPolarHBondContact CG2-O 3.25Å; I352-G355 PolarHBondContact O-N 2.86Å; G355-E357 VanDerWaalsContact C-N 3.31Å; G355-E357 PolarHBondContact O-N 3.19Å; G355-G358 PolarHBondContact O-N 3.47Å; G355-G358 VanDerWaalsContact O-N 3.13Å
356	K	87.1	Confident	86.9	Confident	108 Å²	108	59.7 Å²	59.7	47%	0.47	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-62.5	-38.7	179.3	-51.5	-176.1	-162.4	-179.3	0	111.8	A339 E340 G354 G358 I359	A339-K356 HydrophobicContact CB-CB 4.1Å; A339-K356 HydrophobicContact CB-CD 4.31Å; A339-K356 HydrophobicContact CB-CG 4.01Å; E340-K356 WeakPolarHBondContact OE1-CE 3.36Å; E340-K356 IonicContact OE1-NZ 2.69Å; E340-K356 PolarHBondContact OE1-NZ 3.13Å; G354-K356 PolarHBondContact O-N 3.16Å; G354-K356 VanDerWaalsContact O-N 3.13Å; K356-G358 PolarHBondContact O-N 3.13Å; K356-I359 PolarHBondContact O-N 3.24Å
357	E	85.1	Confident	86.5	Confident	146 Å²	146	61.9 Å²	61.9	68%	0.682	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-70.3	1.5	177.1	-49.7	-52.2	121	0	0	113.6	K322 G354 G355	K322-E357 PolarHBondContact NZ-O 3.36Å; G354-E357 PolarHBondContact O-N 3.46Å; G355-E357 VanDerWaalsContact C-N 3.31Å; G355-E357 PolarHBondContact O-N 3.19Å
358	G	87.3	Confident	86.6	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-104.9	7.5	170.5	0	0	0	0	0	113.7	T353 G355 K356 V375 L376	T353-G358 VanDerWaalsContact O-CA 3.31Å; T353-G358 WeakPolarHBondContact O-CA 3.3Å; G355-G358 PolarHBondContact O-N 3.47Å; G355-G358 VanDerWaalsContact O-N 3.13Å; K356-G358 PolarHBondContact O-N 3.13Å; G358-V375 CarbonylContact O-C 3.58Å; G358-V375 WeakPolarHBondContact O-CA 3.19Å; G358-L376 PolarHBondContact O-N 2.72Å
359	I	92.1	Very high	87.1	Confident	19 Å²	19	61 Å²	61	10%	0.097	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.7	-178.1	-53.6	167	0	0	0	109.6	A339 V342 V343 I352 K356 F361 F374 V375	A339-I359 HydrophobicContact CB-CD1 4.16Å; V342-I359 HydrophobicContact CB-CD1 3.87Å; V342-I359 HydrophobicContact CG1-CD1 3.59Å; V342-I359 HydrophobicContact CG1-CG1 4.13Å; V342-I359 HydrophobicContact CG1-CG2 4.36Å; V343-I359 HydrophobicContact CG2-CD1 3.98Å; I352-I359 HydrophobicContact CD1-CD1 3.89Å; I352-I359 HydrophobicContact CD1-CG1 4.01Å; I352-I359 HydrophobicContact CG2-CG1 4.13Å; K356-I359 PolarHBondContact O-N 3.24Å; I359-F361 HydrophobicContact CB-CE2 4.5Å; I359-F361 HydrophobicContact CG2-CD2 3.9Å; I359-F361 HydrophobicContact CG2-CE2 3.57Å; I359-F361 HydrophobicContact CG2-CZ 4.01Å; I359-F374 CarbonylContact C-O 3.5Å; I359-F374 WeakPolarHBondContact CA-O 3.47Å; I359-V375 HydrophobicContact CG1-CG2 4.37Å; I359-V375 HydrophobicContact CG2-CG2 4.38Å
360	L	91.2	Very high	87.6	Confident	14 Å²	14	54.7 Å²	54.7	7%	0.073	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	102.7	174.3	-179.8	55.4	0	0	0	109.5	E315 F319 A373 F374 V409 L413	E315-L360 HydrophobicContact CG-CD1 4.23Å; F319-L360 HydrophobicContact CB-CD2 3.98Å; F319-L360 HydrophobicContact CD1-CB 4.34Å; F319-L360 HydrophobicContact CD1-CD2 3.71Å; F319-L360 HydrophobicContact CD2-CB 3.64Å; F319-L360 HydrophobicContact CD2-CD2 4.08Å; F319-L360 HydrophobicContact CD2-CG 4.47Å; F319-L360 HydrophobicContact CE1-CB 4.15Å; F319-L360 HydrophobicContact CE1-CD2 4.14Å; F319-L360 HydrophobicContact CE2-CB 3.41Å; F319-L360 VanDerWaalsContact CE2-CB 3.41Å; F319-L360 HydrophobicContact CE2-CD2 4.47Å; F319-L360 HydrophobicContact CG-CB 4.1Å; F319-L360 HydrophobicContact CG-CD2 3.67Å; F319-L360 HydrophobicContact CZ-CB 3.68Å; F319-L360 HydrophobicContact CZ-CD2 4.49Å; L360-A373 CarbonylContact O-C 3.6Å; L360-A373 WeakPolarHBondContact O-CA 3.34Å; L360-F374 PolarHBondContact N-O 2.8Å; L360-F374 PolarHBondContact O-N 2.74Å; L360-V409 HydrophobicContact CD2-CG1 4.24Å; L360-L413 HydrophobicContact CD2-CD1 3.55Å; L360-L413 HydrophobicContact CG-CD1 4.23Å
361	F	91.8	Very high	87.8	Confident	61 Å²	61	54.8 Å²	54.8	27%	0.268	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	135.3	174.5	-73.2	-86.3	0	0	0	110.4	L333 A339 V342 I359 A373	L333-F361 HydrophobicContact CD1-CE1 4.25Å; A339-F361 HydrophobicContact CB-CE2 4.12Å; V342-F361 HydrophobicContact CG2-CE1 4.35Å; V342-F361 HydrophobicContact CG2-CZ 4.04Å; I359-F361 HydrophobicContact CB-CE2 4.5Å; I359-F361 HydrophobicContact CG2-CD2 3.9Å; I359-F361 HydrophobicContact CG2-CE2 3.57Å; I359-F361 HydrophobicContact CG2-CZ 4.01Å; F361-A373 HydrophobicContact CD1-CB 4.05Å; F361-A373 HydrophobicContact CE1-CB 4.48Å; F361-A373 HydrophobicContact CG-CB 4.48Å
362	V	90.1	Very high	88.1	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	113.5	177	-178.5	0	0	0	0	108.6	T370 D372 F374 V412 L413 F416	V362-T370 WeakPolarHBondContact CB-OG1 3.43Å; V362-T370 HydrophobicContact CG1-CG2 3.97Å; V362-T370 WeakPolarHBondContact O-CB 2.91Å; V362-T370 VanDerWaalsContact O-CG2 3.3Å; V362-T370 WeakPolarHBondContact O-CG2 3.38Å; V362-T370 PolarHBondContact O-N 3.49Å; V362-T370 PolarHBondContact O-OG1 2.76Å; V362-D372 HydrophobicContact CB-CB 4.28Å; V362-D372 WeakPolarHBondContact CB-O 3.44Å; V362-D372 HydrophobicContact CG2-CB 4.29Å; V362-D372 PolarHBondContact N-O 2.81Å; V362-F374 HydrophobicContact CG2-CD2 3.94Å; V362-F374 HydrophobicContact CG2-CE2 3.8Å; V362-V412 HydrophobicContact CB-CG1 4.37Å; V362-V412 HydrophobicContact CG1-CG1 3.75Å; V362-V412 HydrophobicContact CG2-CG1 3.78Å; V362-L413 HydrophobicContact CB-CD2 4.43Å; V362-L413 HydrophobicContact CG1-CD2 4.18Å; V362-L413 HydrophobicContact CG2-CD2 4.13Å; V362-F416 HydrophobicContact CG1-CB 4.08Å; V362-F416 HydrophobicContact CG1-CD2 3.39Å; V362-F416 HydrophobicContact CG1-CE2 4.07Å; V362-F416 HydrophobicContact CG1-CG 3.97Å
363	T	88.6	Confident	88.3	Confident	59 Å²	59	52 Å²	52	36%	0.362	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	158.2	178.1	51.1	0	0	0	0	111.9	R368 F416	T363-R368 CarbonylContact C-O 3.6Å; T363-R368 VanDerWaalsContact CA-O 3.26Å; T363-R368 WeakPolarHBondContact CA-O 3.26Å; T363-F416 WeakPolarHBondContact O-CB 3.24Å
364	Y	86.4	Confident	88.6	Confident	95 Å²	95	50.6 Å²	50.6	37%	0.373	28%	0.284	S	S	.	.			trans	-74.4	166.7	163.7	-70.8	-78.2	0	0	0	110.8	D366 G367 R368 T370 F416	Y364-D366 WeakPolarHBondContact CB-OD1 3.49Å; Y364-D366 PolarHBondContact O-N 2.73Å; Y364-D366 VanDerWaalsContact O-N 3.09Å; Y364-G367 PolarHBondContact O-N 3.33Å; Y364-R368 HydrophobicContact CD2-CB 4.05Å; Y364-R368 WeakPolarHBondContact CD2-O 3.48Å; Y364-R368 PolarHBondContact N-O 3.03Å; Y364-T370 HydrophobicContact CD2-CG2 3.89Å; Y364-T370 HydrophobicContact CE2-CG2 3.73Å; Y364-T370 HydrophobicContact CG-CG2 4.38Å; Y364-F416 AromaticContact CD1-CD1 3.91Å; Y364-F416 HydrophobicContact CD1-CD1 3.91Å; Y364-F416 AromaticContact CE1-CD1 3.55Å; Y364-F416 HydrophobicContact CE1-CD1 3.55Å; Y364-F416 AromaticContact CE1-CE1 3.77Å; Y364-F416 HydrophobicContact CE1-CE1 3.77Å; Y364-F416 AromaticContact CZ-CE1 3.92Å
365	P	82.4	Confident	89.1	Confident	91 Å²	91	47.9 Å²	47.9	59%	0.591	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.1	-177.9	-17.1	33.4	0	0	0	113.6	G367 F416	P365-G367 VanDerWaalsContact C-N 3.33Å; P365-F416 WeakPolarHBondContact CD-O 3.12Å; P365-F416 VanDerWaalsContact CG-O 3.26Å; P365-F416 WeakPolarHBondContact CG-O 3.4Å
366	D	84.4	Confident	89.4	Confident	93 Å²	93	46.8 Å²	46.8	50%	0.497	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	10.2	172	59.3	31.3	0	0	0	113.4	Y364 R368	Y364-D366 WeakPolarHBondContact CB-OD1 3.49Å; Y364-D366 PolarHBondContact O-N 2.73Å; Y364-D366 VanDerWaalsContact O-N 3.09Å; D366-R368 VanDerWaalsContact C-N 3.29Å; D366-R368 PolarHBondContact O-N 3.18Å; D366-R368 VanDerWaalsContact OD1-CB 3.27Å; D366-R368 WeakPolarHBondContact OD1-CB 3.47Å; D366-R368 VanDerWaalsContact OD1-CG 3.24Å; D366-R368 WeakPolarHBondContact OD1-CG 3.26Å; D366-R368 IonicContact OD1-CZ 3.46Å; D366-R368 PolarHBondContact OD1-N 3.3Å; D366-R368 VanDerWaalsContact OD1-N 3.09Å; D366-R368 IonicContact OD1-NE 3.34Å; D366-R368 PolarHBondContact OD1-NE 3.18Å; D366-R368 IonicContact OD1-NH2 2.91Å; D366-R368 IonicContact OD2-CZ 2.86Å; D366-R368 IonicContact OD2-NE 3.6Å; D366-R368 PolarHBondContact OD2-NE 3.29Å; D366-R368 IonicContact OD2-NH2 2.7Å; D366-R368 PolarHBondContact OD2-NH2 3.17Å
367	G	84.1	Confident	89.6	Confident	50 Å²	50	41.7 Å²	41.7	52%	0.515	22%	0.222	S	C	.	.	S	Bend	trans	79.9	-3.5	178.6	0	0	0	0	0	115.1	Y364 P365	Y364-G367 PolarHBondContact O-N 3.33Å; P365-G367 VanDerWaalsContact C-N 3.33Å
368	R	88.8	Confident	89.7	Confident	149 Å²	149	37.4 Å²	37.4	56%	0.562	21%	0.212	S	C	*	.			trans	-67.5	136.5	179.4	-69.2	-179.3	-66.5	161.9	-4.6	111.5	T363 Y364 D366	T363-R368 CarbonylContact C-O 3.6Å; T363-R368 VanDerWaalsContact CA-O 3.26Å; T363-R368 WeakPolarHBondContact CA-O 3.26Å; Y364-R368 HydrophobicContact CD2-CB 4.05Å; Y364-R368 WeakPolarHBondContact CD2-O 3.48Å; Y364-R368 PolarHBondContact N-O 3.03Å; D366-R368 VanDerWaalsContact C-N 3.29Å; D366-R368 PolarHBondContact O-N 3.18Å; D366-R368 VanDerWaalsContact OD1-CB 3.27Å; D366-R368 WeakPolarHBondContact OD1-CB 3.47Å; D366-R368 VanDerWaalsContact OD1-CG 3.24Å; D366-R368 WeakPolarHBondContact OD1-CG 3.26Å; D366-R368 IonicContact OD1-CZ 3.46Å; D366-R368 PolarHBondContact OD1-N 3.3Å; D366-R368 VanDerWaalsContact OD1-N 3.09Å; D366-R368 IonicContact OD1-NE 3.34Å; D366-R368 PolarHBondContact OD1-NE 3.18Å; D366-R368 IonicContact OD1-NH2 2.91Å; D366-R368 IonicContact OD2-CZ 2.86Å; D366-R368 IonicContact OD2-NE 3.6Å; D366-R368 PolarHBondContact OD2-NE 3.29Å; D366-R368 IonicContact OD2-NH2 2.7Å; D366-R368 PolarHBondContact OD2-NH2 3.17Å
369	P	90.6	Very high	89.7	Confident	53 Å²	53	39.5 Å²	39.5	34%	0.344	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	137.3	177.6	28.8	-33.7	0	0	0	111.6	F335	F335-P369 HydrophobicContact CB-CG 3.96Å; F335-P369 HydrophobicContact CD1-CG 4.34Å; F335-P369 WeakPolarHBondContact O-CG 3.39Å
370	T	90.2	Very high	89.4	Confident	24 Å²	24	42.6 Å²	42.6	15%	0.147	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-20.3	177.6	62.4	0	0	0	0	113.7	V362 Y364 D372 F416	V362-T370 WeakPolarHBondContact CB-OG1 3.43Å; V362-T370 HydrophobicContact CG1-CG2 3.97Å; V362-T370 WeakPolarHBondContact O-CB 2.91Å; V362-T370 VanDerWaalsContact O-CG2 3.3Å; V362-T370 WeakPolarHBondContact O-CG2 3.38Å; V362-T370 PolarHBondContact O-N 3.49Å; V362-T370 PolarHBondContact O-OG1 2.76Å; Y364-T370 HydrophobicContact CD2-CG2 3.89Å; Y364-T370 HydrophobicContact CE2-CG2 3.73Å; Y364-T370 HydrophobicContact CG-CG2 4.38Å; T370-D372 PolarHBondContact OG1-N 2.71Å; T370-F416 HydrophobicContact CG2-CB 4.44Å; T370-F416 HydrophobicContact CG2-CD1 3.61Å; T370-F416 HydrophobicContact CG2-CD2 4.1Å; T370-F416 HydrophobicContact CG2-CE1 3.73Å; T370-F416 HydrophobicContact CG2-CE2 4.21Å; T370-F416 HydrophobicContact CG2-CG 3.81Å; T370-F416 HydrophobicContact CG2-CZ 4.03Å
371	G	90.6	Very high	89.3	Confident	8 Å²	8	47.8 Å²	47.8	8%	0.082	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	87	1.9	-169.2	0	0	0	0	0	114.5	R331 G332 L333	R331-G371 CarbonylContact C-O 3.59Å; G332-G371 PolarHBondContact N-O 3.2Å; L333-G371 WeakPolarHBondContact CB-O 3.43Å; L333-G371 PolarHBondContact N-O 2.96Å
372	D	92.3	Very high	89.3	Confident	10 Å²	10	48.8 Å²	48.8	5%	0.053	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	148.5	166.1	-75.2	0.9	0	0	0	110.3	R329 M330 R331 V362 T370	R329-D372 IonicContact CZ-OD2 2.71Å; R329-D372 IonicContact NE-OD2 3.41Å; R329-D372 PolarHBondContact NE-OD2 3.02Å; R329-D372 IonicContact NH2-OD2 3.34Å; R329-D372 PolarHBondContact NH2-OD2 3.21Å; M330-D372 WeakPolarHBondContact O-CA 3.47Å; R331-D372 WeakPolarHBondContact CA-OD1 3.36Å; R331-D372 VanDerWaalsContact CB-OD1 3.29Å; R331-D372 WeakPolarHBondContact CB-OD1 3.33Å; R331-D372 WeakPolarHBondContact CG-OD1 3.38Å; R331-D372 IonicContact CZ-OD1 2.67Å; R331-D372 IonicContact CZ-OD2 3.43Å; R331-D372 VanDerWaalsContact CZ-OD2 3.32Å; R331-D372 VanDerWaalsContact NE-CG 3.3Å; R331-D372 IonicContact NE-OD1 3.19Å; R331-D372 PolarHBondContact NE-OD1 3.48Å; R331-D372 IonicContact NE-OD2 3.22Å; R331-D372 PolarHBondContact NE-OD2 3.31Å; R331-D372 IonicContact NH2-OD1 2.92Å; R331-D372 IonicContact NH2-OD2 2.71Å; R331-D372 PolarHBondContact NH2-OD2 2.97Å; V362-D372 HydrophobicContact CB-CB 4.28Å; V362-D372 WeakPolarHBondContact CB-O 3.44Å; V362-D372 HydrophobicContact CG2-CB 4.29Å; V362-D372 PolarHBondContact N-O 2.81Å; T370-D372 PolarHBondContact OG1-N 2.71Å
373	A	94.2	Very high	89.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	163.1	171.9	0	0	0	0	0	111	R329 M330 L333 L360 F361	R329-A373 CarbonylContact C-O 3.57Å; R329-A373 WeakPolarHBondContact CA-O 3.4Å; M330-A373 PolarHBondContact N-O 3.03Å; M330-A373 PolarHBondContact O-N 2.84Å; L333-A373 HydrophobicContact CD1-CB 3.54Å; L360-A373 CarbonylContact O-C 3.6Å; L360-A373 WeakPolarHBondContact O-CA 3.34Å; F361-A373 HydrophobicContact CD1-CB 4.05Å; F361-A373 HydrophobicContact CE1-CB 4.48Å; F361-A373 HydrophobicContact CG-CB 4.48Å
374	F	93.8	Very high	89.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	142.4	172.1	-64.6	-84.9	0	0	0	110.8	F319 I327 V328 R329 I359 L360 V362 V409 V412	F319-F374 HydrophobicContact CE1-CB 3.92Å; F319-F374 HydrophobicContact CZ-CB 3.8Å; I327-F374 HydrophobicContact CG2-CB 4.21Å; I327-F374 HydrophobicContact CG2-CD1 3.89Å; I327-F374 HydrophobicContact CG2-CG 4.48Å; V328-F374 CarbonylContact O-C 3.34Å; V328-F374 WeakPolarHBondContact O-CA 3.48Å; R329-F374 HydrophobicContact CB-CD1 3.72Å; R329-F374 HydrophobicContact CB-CE1 3.63Å; R329-F374 HydrophobicContact CG-CD1 4.03Å; R329-F374 HydrophobicContact CG-CE1 3.69Å; R329-F374 HydrophobicContact CG-CZ 4.11Å; I359-F374 CarbonylContact C-O 3.5Å; I359-F374 WeakPolarHBondContact CA-O 3.47Å; L360-F374 PolarHBondContact N-O 2.8Å; L360-F374 PolarHBondContact O-N 2.74Å; V362-F374 HydrophobicContact CG2-CD2 3.94Å; V362-F374 HydrophobicContact CG2-CE2 3.8Å; F374-V409 HydrophobicContact CB-CG2 4.43Å; F374-V409 HydrophobicContact CD1-CG2 3.65Å; F374-V409 HydrophobicContact CD2-CG1 4.28Å; F374-V409 HydrophobicContact CD2-CG2 4.26Å; F374-V409 HydrophobicContact CE1-CB 4.46Å; F374-V409 HydrophobicContact CE1-CG2 3.8Å; F374-V409 HydrophobicContact CE2-CB 4.43Å; F374-V409 HydrophobicContact CE2-CG1 4.42Å; F374-V409 HydrophobicContact CE2-CG2 4.41Å; F374-V409 HydrophobicContact CG-CG2 3.87Å; F374-V409 HydrophobicContact CZ-CB 4.38Å; F374-V409 HydrophobicContact CZ-CG2 4.19Å; F374-V412 HydrophobicContact CE2-CB 3.88Å; F374-V412 HydrophobicContact CE2-CG1 3.9Å; F374-V412 HydrophobicContact CE2-CG2 4.37Å; F374-V412 HydrophobicContact CZ-CB 3.81Å; F374-V412 HydrophobicContact CZ-CG1 4.18Å; F374-V412 HydrophobicContact CZ-CG2 3.83Å
375	V	94.1	Very high	89.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	135	-176	-177.5	0	0	0	0	110	I327 V328 M330 V342 F346 I352 G358 I359 F377	I327-V375 WeakPolarHBondContact CA-O 3.39Å; V328-V375 PolarHBondContact N-O 3.02Å; V328-V375 PolarHBondContact O-N 3Å; M330-V375 HydrophobicContact CG-CG2 3.99Å; M330-V375 HydrophobicContact SD-CG2 3.59Å; M330-V375 VanDerWaalsContact SD-CG2 3.59Å; V342-V375 HydrophobicContact CG1-CG2 4.15Å; F346-V375 HydrophobicContact CE2-CB 4.48Å; F346-V375 HydrophobicContact CE2-CG1 4.21Å; F346-V375 HydrophobicContact CE2-CG2 4.12Å; I352-V375 HydrophobicContact CB-CG1 4.26Å; I352-V375 HydrophobicContact CD1-CG1 3.75Å; I352-V375 HydrophobicContact CG1-CG1 3.71Å; I352-V375 HydrophobicContact CG2-CG1 3.66Å; G358-V375 CarbonylContact O-C 3.58Å; G358-V375 WeakPolarHBondContact O-CA 3.19Å; I359-V375 HydrophobicContact CG1-CG2 4.37Å; I359-V375 HydrophobicContact CG2-CG2 4.38Å; V375-F377 HydrophobicContact CB-CE2 4.07Å; V375-F377 HydrophobicContact CB-CZ 4.48Å; V375-F377 HydrophobicContact CG1-CD2 4.39Å; V375-F377 HydrophobicContact CG1-CE1 4.45Å; V375-F377 HydrophobicContact CG1-CE2 3.63Å; V375-F377 HydrophobicContact CG1-CZ 3.67Å
376	L	92.1	Very high	90.2	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	131.6	-178.5	-63.2	170.1	0	0	0	111.6	F319 Q325 I327 I352 T353 G358	F319-L376 HydrophobicContact CD1-CD1 4.42Å; F319-L376 HydrophobicContact CD1-CD2 4.47Å; F319-L376 HydrophobicContact CD2-CD1 3.66Å; F319-L376 HydrophobicContact CD2-CG 4.29Å; F319-L376 HydrophobicContact CE1-CD1 4.26Å; F319-L376 HydrophobicContact CE1-CD2 3.87Å; F319-L376 HydrophobicContact CE1-CG 4.03Å; F319-L376 HydrophobicContact CE2-CD1 3.47Å; F319-L376 VanDerWaalsContact CE2-CD1 3.47Å; F319-L376 HydrophobicContact CE2-CD2 4.38Å; F319-L376 HydrophobicContact CE2-CG 3.63Å; F319-L376 HydrophobicContact CG-CD1 4.15Å; F319-L376 HydrophobicContact CZ-CD1 3.8Å; F319-L376 HydrophobicContact CZ-CD2 3.83Å; F319-L376 HydrophobicContact CZ-CG 3.48Å; F319-L376 VanDerWaalsContact CZ-CG 3.48Å; F319-L376 VanDerWaalsContact O-CD1 3.3Å; F319-L376 WeakPolarHBondContact O-CD1 3.43Å; Q325-L376 HydrophobicContact CB-CD2 4.34Å; I327-L376 HydrophobicContact CG1-CD2 3.9Å; I352-L376 WeakPolarHBondContact CG2-O 3.3Å; T353-L376 PolarHBondContact N-O 3.3Å; T353-L376 PolarHBondContact OG1-O 3.07Å; G358-L376 PolarHBondContact O-N 2.72Å
377	F	91.4	Very high	90.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.1	174.4	-65.7	-81.8	0	0	0	111	Q325 V326 V328 F346 C350 I352 T353 V375 C379 A383 A386	Q325-F377 WeakPolarHBondContact CA-O 3.26Å; V326-F377 PolarHBondContact N-O 3.2Å; V326-F377 PolarHBondContact O-N 3.03Å; V328-F377 HydrophobicContact CB-CD2 4.35Å; V328-F377 HydrophobicContact CB-CE2 3.91Å; V328-F377 HydrophobicContact CG2-CD2 3.8Å; V328-F377 HydrophobicContact CG2-CE2 3.71Å; F346-F377 HydrophobicContact CD1-CZ 4.03Å; F346-F377 HydrophobicContact CD2-CZ 4.22Å; F346-F377 HydrophobicContact CE1-CZ 4.12Å; F346-F377 HydrophobicContact CE2-CZ 4.27Å; F346-F377 HydrophobicContact CG-CZ 4.09Å; F346-F377 HydrophobicContact CZ-CZ 4.22Å; C350-F377 HydrophobicContact CB-CE1 4Å; C350-F377 WeakPolarHBondContact O-CE1 3.23Å; I352-F377 HydrophobicContact CG1-CE1 4.22Å; I352-F377 HydrophobicContact CG1-CZ 4.47Å; T353-F377 WeakPolarHBondContact OG1-CA 3.18Å; V375-F377 HydrophobicContact CB-CE2 4.07Å; V375-F377 HydrophobicContact CB-CZ 4.48Å; V375-F377 HydrophobicContact CG1-CD2 4.39Å; V375-F377 HydrophobicContact CG1-CE1 4.45Å; V375-F377 HydrophobicContact CG1-CE2 3.63Å; V375-F377 HydrophobicContact CG1-CZ 3.67Å; F377-C379 VanDerWaalsContact C-N 3.25Å; F377-C379 PolarHBondContact O-N 2.97Å; F377-A383 HydrophobicContact CB-CB 4.1Å; F377-A383 HydrophobicContact CD2-CB 4.19Å; F377-A383 HydrophobicContact CG-CB 4.28Å; F377-A386 HydrophobicContact CE1-CB 3.94Å; F377-A386 HydrophobicContact CE2-CB 3.83Å; F377-A386 HydrophobicContact CZ-CB 3.46Å; F377-A386 VanDerWaalsContact CZ-CB 3.46Å
378	A	88.1	Confident	90.9	Very high	56 Å²	56	47 Å²	47	46%	0.463	23%	0.227	S	C	.	.	S	Bend	trans	-76.1	-11.4	-172.5	0	0	0	0	0	113.8	T353	T353-A378 HydrophobicContact CG2-CB 4.26Å; T353-A378 WeakPolarHBondContact OG1-CA 3.3Å; T353-A378 PolarHBondContact OG1-N 3.38Å
379	C	86.3	Confident	91.1	Very high	44 Å²	44	42.7 Å²	42.7	30%	0.297	21%	0.213	S	C	.	.	S	Bend	trans	-155.6	165.3	176.3	68.2	0	0	0	0	111.4	F377 E381 Y382 A383	F377-C379 VanDerWaalsContact C-N 3.25Å; F377-C379 PolarHBondContact O-N 2.97Å; C379-E381 VanDerWaalsContact C-N 3.27Å; C379-E381 PolarHBondContact O-N 2.8Å; C379-Y382 WeakPolarHBondContact SG-CD2 3.44Å; C379-Y382 VanDerWaalsContact SG-CG 3.58Å; C379-Y382 PolarHBondContact SG-N 3.07Å; C379-A383 PolarHBondContact O-N 3.46Å
380	E	85.9	Confident	91.2	Very high	84 Å²	84	43.2 Å²	43.2	39%	0.393	21%	0.21	S	C	.	.	H	α-helix	trans	-54.9	-40	173.7	-173.5	74.8	172.9	0	0	112.6	A383 Q384 R403	E380-A383 PolarHBondContact O-N 2.72Å; E380-Q384 WeakPolarHBondContact O-CB 3.3Å; E380-Q384 PolarHBondContact O-N 3.01Å; E380-R403 IonicContact OE1-CZ 3.45Å; E380-R403 IonicContact OE1-NH1 3.13Å; E380-R403 PolarHBondContact OE1-NH1 2.97Å; E380-R403 IonicContact OE1-NH2 2.76Å; E380-R403 PolarHBondContact OE1-NH2 3Å; E380-R403 IonicContact OE2-CZ 3.38Å; E380-R403 IonicContact OE2-NH1 2.9Å; E380-R403 PolarHBondContact OE2-NH1 2.84Å; E380-R403 IonicContact OE2-NH2 2.74Å; E380-R403 PolarHBondContact OE2-NH2 3.18Å
381	E	89.5	Confident	91.4	Very high	124 Å²	124	48.1 Å²	48.1	58%	0.579	23%	0.229	S	C	*	.	H	α-helix	trans	-63.9	-48.9	-176.2	-165.2	-162.9	142.7	0	0	111.7	C379 A383 Q384 N385	C379-E381 VanDerWaalsContact C-N 3.27Å; C379-E381 PolarHBondContact O-N 2.8Å; E381-A383 VanDerWaalsContact C-N 3.3Å; E381-A383 PolarHBondContact O-N 2.82Å; E381-Q384 PolarHBondContact O-N 2.95Å; E381-Q384 VanDerWaalsContact O-N 3.16Å; E381-N385 WeakPolarHBondContact O-CB 3.48Å; E381-N385 PolarHBondContact O-N 2.8Å; E381-N385 PolarHBondContact O-ND2 3.28Å; E381-N385 PolarHBondContact O-OD1 3.3Å
382	Y	92.1	Very high	91.6	Very high	81 Å²	81	50.9 Å²	50.9	32%	0.318	24%	0.242	S	C	.	.	H	α-helix	trans	-65.4	-33.6	178.7	-60	-27.9	0	0	0	112.3	P351 C379 N385 A386	P351-Y382 HydrophobicContact CG-CD1 4.47Å; P351-Y382 HydrophobicContact CG-CD2 3.67Å; P351-Y382 HydrophobicContact CG-CE1 4.31Å; P351-Y382 HydrophobicContact CG-CE2 3.47Å; P351-Y382 VanDerWaalsContact CG-CE2 3.47Å; P351-Y382 HydrophobicContact CG-CG 4.18Å; C379-Y382 WeakPolarHBondContact SG-CD2 3.44Å; C379-Y382 VanDerWaalsContact SG-CG 3.58Å; C379-Y382 PolarHBondContact SG-N 3.07Å; Y382-N385 PolarHBondContact O-N 2.96Å; Y382-A386 VanDerWaalsContact O-CB 3.26Å; Y382-A386 WeakPolarHBondContact O-CB 3.36Å; Y382-A386 PolarHBondContact O-N 2.7Å
383	A	90.4	Very high	91.6	Very high	2 Å²	2	56.3 Å²	56.3	2%	0.017	27%	0.271	C	S	.	.	H	α-helix	trans	-67.1	-41.7	171.9	0	0	0	0	0	112.1	V326 V328 F377 C379 E380 E381 N385 A386 L387	V326-A383 HydrophobicContact CB-CB 3.77Å; V326-A383 HydrophobicContact CG1-CB 3.43Å; V326-A383 VanDerWaalsContact CG1-CB 3.43Å; V328-A383 HydrophobicContact CG2-CB 4.16Å; F377-A383 HydrophobicContact CB-CB 4.1Å; F377-A383 HydrophobicContact CD2-CB 4.19Å; F377-A383 HydrophobicContact CG-CB 4.28Å; C379-A383 PolarHBondContact O-N 3.46Å; E380-A383 PolarHBondContact O-N 2.72Å; E381-A383 VanDerWaalsContact C-N 3.3Å; E381-A383 PolarHBondContact O-N 2.82Å; A383-N385 VanDerWaalsContact C-N 3.34Å; A383-A386 WeakPolarHBondContact O-CB 3.36Å; A383-A386 PolarHBondContact O-N 3.05Å; A383-L387 VanDerWaalsContact O-CG 3.24Å; A383-L387 WeakPolarHBondContact O-CG 3.36Å; A383-L387 PolarHBondContact O-N 2.81Å
384	Q	90.3	Very high	91.5	Very high	103 Å²	103	56.7 Å²	56.7	48%	0.481	27%	0.273	S	S	.	.	H	α-helix	trans	-67.6	-35	176.3	-169	65.1	4.1	0	0	111.9	E380 E381 L387 R388	E380-Q384 WeakPolarHBondContact O-CB 3.3Å; E380-Q384 PolarHBondContact O-N 3.01Å; E381-Q384 PolarHBondContact O-N 2.95Å; E381-Q384 VanDerWaalsContact O-N 3.16Å; Q384-L387 PolarHBondContact O-N 2.94Å; Q384-R388 PolarHBondContact O-N 2.88Å
385	N	92.1	Very high	91.2	Very high	25 Å²	25	59.8 Å²	59.8	13%	0.134	31%	0.305	C	S	.	.	H	α-helix	trans	-67.1	-41.2	172.9	-62.2	-10.1	0	0	0	111	C350 E381 Y382 A383 R388	C350-N385 VanDerWaalsContact SG-C 3.56Å; C350-N385 WeakPolarHBondContact SG-CB 3.38Å; E381-N385 WeakPolarHBondContact O-CB 3.48Å; E381-N385 PolarHBondContact O-N 2.8Å; E381-N385 PolarHBondContact O-ND2 3.28Å; E381-N385 PolarHBondContact O-OD1 3.3Å; Y382-N385 PolarHBondContact O-N 2.96Å; A383-N385 VanDerWaalsContact C-N 3.34Å; N385-R388 WeakPolarHBondContact O-CB 3.46Å; N385-R388 PolarHBondContact O-N 2.88Å; N385-R388 PolarHBondContact OD1-NH2 2.81Å
386	A	92.7	Very high	91	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-61.8	-45	172.9	0	0	0	0	0	112	F346 C350 F377 Y382 A383 R388 K389 L401	F346-A386 HydrophobicContact CD1-CB 3.66Å; F346-A386 HydrophobicContact CE1-CB 3.53Å; C350-A386 HydrophobicContact CB-CB 4.32Å; F377-A386 HydrophobicContact CE1-CB 3.94Å; F377-A386 HydrophobicContact CE2-CB 3.83Å; F377-A386 HydrophobicContact CZ-CB 3.46Å; F377-A386 VanDerWaalsContact CZ-CB 3.46Å; Y382-A386 VanDerWaalsContact O-CB 3.26Å; Y382-A386 WeakPolarHBondContact O-CB 3.36Å; Y382-A386 PolarHBondContact O-N 2.7Å; A383-A386 WeakPolarHBondContact O-CB 3.36Å; A383-A386 PolarHBondContact O-N 3.05Å; A386-R388 PolarHBondContact O-N 3.45Å; A386-K389 VanDerWaalsContact O-CB 3.31Å; A386-K389 WeakPolarHBondContact O-CB 3.42Å; A386-K389 PolarHBondContact O-N 3.47Å; A386-L401 WeakPolarHBondContact O-CD1 3.47Å
387	L	91.9	Very high	91	Very high	35 Å²	35	75 Å²	75	18%	0.183	37%	0.368	C	S	.	.	H	α-helix	trans	-62.9	-25.8	178.7	-70.1	164.8	0	0	0	113.4	V328 A383 Q384 K389 H390 L401 R403	V328-L387 HydrophobicContact CG1-CD2 4.07Å; V328-L387 HydrophobicContact CG2-CD2 4.5Å; V328-L387 HydrophobicContact CG2-CG 4.46Å; A383-L387 VanDerWaalsContact O-CG 3.24Å; A383-L387 WeakPolarHBondContact O-CG 3.36Å; A383-L387 PolarHBondContact O-N 2.81Å; Q384-L387 PolarHBondContact O-N 2.94Å; L387-K389 PolarHBondContact O-N 2.95Å; L387-H390 VanDerWaalsContact O-CB 3.26Å; L387-H390 WeakPolarHBondContact O-CB 3.46Å; L387-H390 PolarHBondContact O-N 3.24Å; L387-L401 HydrophobicContact CD2-CB 4.25Å; L387-R403 HydrophobicContact CD1-CB 4.03Å
388	R	92.6	Very high	91.1	Very high	188 Å²	188	80.9 Å²	80.9	71%	0.709	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-14.4	171.5	-72.6	-171.7	-83.4	159.4	-13.6	113.6	Q384 N385 A386 H390	Q384-R388 PolarHBondContact O-N 2.88Å; N385-R388 WeakPolarHBondContact O-CB 3.46Å; N385-R388 PolarHBondContact O-N 2.88Å; N385-R388 PolarHBondContact OD1-NH2 2.81Å; A386-R388 PolarHBondContact O-N 3.45Å; R388-H390 VanDerWaalsContact C-N 3.31Å
389	K	92.8	Very high	91.5	Very high	58 Å²	58	78.2 Å²	78.2	25%	0.252	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	14.1	174.8	-47.6	-157.1	71.7	169.5	0	113.4	F345 A386 L387 K391 D392 L401	F345-K389 HydrophobicContact CE1-CB 4.32Å; F345-K389 HydrophobicContact CZ-CB 4.2Å; F345-K389 PolarHBondContact O-NZ 3.31Å; A386-K389 VanDerWaalsContact O-CB 3.31Å; A386-K389 WeakPolarHBondContact O-CB 3.42Å; A386-K389 PolarHBondContact O-N 3.47Å; L387-K389 PolarHBondContact O-N 2.95Å; K389-K391 PolarHBondContact O-N 3.3Å; K389-D392 HydrophobicContact CB-CB 4.29Å; K389-D392 WeakPolarHBondContact CB-OD2 3.31Å; K389-D392 WeakPolarHBondContact CE-OD2 3.28Å; K389-D392 IonicContact NZ-OD2 2.7Å; K389-D392 VanDerWaalsContact O-CB 3.29Å; K389-D392 WeakPolarHBondContact O-CB 3.25Å; K389-D392 PolarHBondContact O-N 2.89Å; K389-L401 HydrophobicContact CB-CD1 3.96Å
390	H	92.9	Very high	91.8	Very high	64 Å²	64	78.9 Å²	78.9	30%	0.296	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	122	179.8	176.2	105.5	0	0	0	110.8	L387 R388 L401	L387-H390 VanDerWaalsContact O-CB 3.26Å; L387-H390 WeakPolarHBondContact O-CB 3.46Å; L387-H390 PolarHBondContact O-N 3.24Å; R388-H390 VanDerWaalsContact C-N 3.31Å; H390-L401 HydrophobicContact CB-CB 4.24Å; H390-L401 PolarHBondContact ND1-N 2.84Å; H390-L401 PolarHBondContact ND1-O 2.79Å
391	K	93.4	Very high	92.1	Very high	126 Å²	126	75 Å²	75	55%	0.548	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	7.9	-170.3	-62	159.2	-179.4	162.4	0	116.3	K389 Y398 I399	K389-K391 PolarHBondContact O-N 3.3Å; K391-Y398 HydrophobicContact CG-CD2 4.45Å; K391-I399 WeakPolarHBondContact CA-O 3.34Å; K391-I399 PolarHBondContact N-O 2.73Å
392	D	94.6	Very high	92.2	Very high	67 Å²	67	71.3 Å²	71.3	36%	0.358	33%	0.331	S	S	.	.			trans	-60.2	155.2	165.5	-76.9	5	0	0	0	110.9	F345 K389 Y398 I399	F345-D392 HydrophobicContact CE2-CB 3.63Å; F345-D392 HydrophobicContact CZ-CB 3.84Å; K389-D392 HydrophobicContact CB-CB 4.29Å; K389-D392 WeakPolarHBondContact CB-OD2 3.31Å; K389-D392 WeakPolarHBondContact CE-OD2 3.28Å; K389-D392 IonicContact NZ-OD2 2.7Å; K389-D392 VanDerWaalsContact O-CB 3.29Å; K389-D392 WeakPolarHBondContact O-CB 3.25Å; K389-D392 PolarHBondContact O-N 2.89Å; D392-Y398 WeakPolarHBondContact O-CA 3.44Å; D392-I399 PolarHBondContact O-N 3.05Å
393	L	92.4	Very high	92	Very high	123 Å²	123	68.7 Å²	68.7	64%	0.644	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	129.8	-178.3	-64.9	176	0	0	0	112.2	R397	L393-R397 CarbonylContact C-O 3.59Å; L393-R397 WeakPolarHBondContact CA-O 3.33Å
394	L	92	Very high	92	Very high	8 Å²	8	68.8 Å²	68.8	4%	0.042	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	108.9	160.8	-160.2	162.6	0	0	0	107.8	L333 P334 A337 E341 V342 F345 K396 R397 I399	L333-L394 HydrophobicContact CD2-CD1 3.85Å; P334-L394 HydrophobicContact CG-CD2 3.99Å; A337-L394 HydrophobicContact CB-CD2 4.39Å; E341-L394 HydrophobicContact CB-CD2 4.27Å; V342-L394 HydrophobicContact CG2-CD1 4.27Å; F345-L394 HydrophobicContact CB-CD1 3.86Å; F345-L394 HydrophobicContact CB-CG 4.42Å; F345-L394 HydrophobicContact CD2-CB 3.96Å; F345-L394 HydrophobicContact CD2-CD1 4.13Å; F345-L394 HydrophobicContact CD2-CG 4.24Å; F345-L394 HydrophobicContact CE2-CB 4.37Å; F345-L394 HydrophobicContact CG-CD1 4.03Å; L394-K396 PolarHBondContact O-N 2.97Å; L394-R397 PolarHBondContact N-O 2.63Å; L394-R397 PolarHBondContact O-N 2.8Å; L394-R397 VanDerWaalsContact O-N 3.14Å; L394-I399 HydrophobicContact CB-CD1 3.92Å; L394-I399 HydrophobicContact CB-CG1 3.61Å
395	G	87.9	Confident	91.8	Very high	65 Å²	65	64.1 Å²	64.1	67%	0.67	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	-106.3	-171.4	0	0	0	0	0	112.2
396	K	89.6	Confident	91.4	Very high	203 Å²	203	63.4 Å²	63.4	88%	0.883	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	18.6	179.7	-59.3	-174.7	-177	179.9	0	113.3	L394	L394-K396 PolarHBondContact O-N 2.97Å
397	R	92.2	Very high	91.1	Very high	120 Å²	120	63.7 Å²	63.7	45%	0.453	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.6	-175.7	-62.3	-66.9	-66.1	179.7	-0.4	109.7	G332 P334 L393 L394 I399	G332-R397 WeakPolarHBondContact O-CB 3.48Å; G332-R397 PolarHBondContact O-NE 3.07Å; G332-R397 VanDerWaalsContact O-NE 3.12Å; P334-R397 HydrophobicContact CB-CG 4.44Å; P334-R397 HydrophobicContact CG-CB 4.17Å; P334-R397 HydrophobicContact CG-CG 3.79Å; L393-R397 CarbonylContact C-O 3.59Å; L393-R397 WeakPolarHBondContact CA-O 3.33Å; L394-R397 PolarHBondContact N-O 2.63Å; L394-R397 PolarHBondContact O-N 2.8Å; L394-R397 VanDerWaalsContact O-N 3.14Å; R397-I399 HydrophobicContact CB-CD1 4.33Å
398	Y	94.4	Very high	90.9	Very high	123 Å²	123	62.1 Å²	62.1	48%	0.482	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	140.4	162.9	62	-95.6	0	0	0	108.7	K391 D392 E400	K391-Y398 HydrophobicContact CG-CD2 4.45Å; D392-Y398 WeakPolarHBondContact O-CA 3.44Å; Y398-E400 HydrophobicContact CD2-CG 4.22Å; Y398-E400 HydrophobicContact CE2-CG 4.06Å
399	I	95.4	Very high	90.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.258	C	S	.	.			trans	-105.7	121.4	-179	-57.3	-51.8	0	0	0	109.8	M330 L333 F345 K391 D392 L394 R397 L401	M330-I399 HydrophobicContact CB-CG2 4.1Å; M330-I399 HydrophobicContact CE-CG2 3.9Å; L333-I399 HydrophobicContact CD2-CD1 3.87Å; L333-I399 HydrophobicContact CD2-CG1 4.48Å; L333-I399 HydrophobicContact CG-CD1 4.27Å; F345-I399 HydrophobicContact CE2-CB 4.36Å; F345-I399 HydrophobicContact CE2-CG1 4.17Å; F345-I399 HydrophobicContact CZ-CB 4.03Å; F345-I399 HydrophobicContact CZ-CG1 4.29Å; F345-I399 HydrophobicContact CZ-CG2 4.41Å; K391-I399 WeakPolarHBondContact CA-O 3.34Å; K391-I399 PolarHBondContact N-O 2.73Å; D392-I399 PolarHBondContact O-N 3.05Å; L394-I399 HydrophobicContact CB-CD1 3.92Å; L394-I399 HydrophobicContact CB-CG1 3.61Å; R397-I399 HydrophobicContact CB-CD1 4.33Å; I399-L401 HydrophobicContact CG2-CD2 3.65Å; I399-L401 HydrophobicContact CG2-CG 4.27Å
400	E	92.7	Very high	90.3	Very high	57 Å²	57	50.8 Å²	50.8	27%	0.266	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	124.4	172.4	-54	-176.7	99.9	0	0	109.3	M330 R331 Y398 F402	M330-E400 CarbonylContact C-O 3.54Å; R331-E400 HydrophobicContact CB-CB 4.28Å; R331-E400 PolarHBondContact N-O 3.14Å; R331-E400 PolarHBondContact O-N 3.06Å; Y398-E400 HydrophobicContact CD2-CG 4.22Å; Y398-E400 HydrophobicContact CE2-CG 4.06Å; E400-F402 HydrophobicContact CB-CD2 4.46Å; E400-F402 HydrophobicContact CB-CE2 3.46Å; E400-F402 VanDerWaalsContact CB-CE2 3.46Å; E400-F402 HydrophobicContact CB-CZ 3.71Å
401	L	92.9	Very high	90	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.016	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135	-179.5	-58.6	177.8	0	0	0	110.9	V328 R329 M330 F345 F346 A386 L387 K389 H390 I399	V328-L401 HydrophobicContact CG1-CB 4.19Å; V328-L401 HydrophobicContact CG1-CD2 4.38Å; R329-L401 WeakPolarHBondContact O-CA 3.34Å; M330-L401 HydrophobicContact CB-CD2 4.17Å; M330-L401 HydrophobicContact CE-CD2 4.28Å; M330-L401 HydrophobicContact CG-CD2 3.72Å; F345-L401 HydrophobicContact CE1-CD1 4.16Å; F345-L401 HydrophobicContact CE1-CD2 4.45Å; F345-L401 HydrophobicContact CZ-CD1 4.47Å; F346-L401 HydrophobicContact CE1-CD1 3.91Å; F346-L401 HydrophobicContact CE1-CD2 4.34Å; F346-L401 HydrophobicContact CZ-CD1 4.32Å; F346-L401 HydrophobicContact CZ-CD2 3.91Å; A386-L401 WeakPolarHBondContact O-CD1 3.47Å; L387-L401 HydrophobicContact CD2-CB 4.25Å; K389-L401 HydrophobicContact CB-CD1 3.96Å; H390-L401 HydrophobicContact CB-CB 4.24Å; H390-L401 PolarHBondContact ND1-N 2.84Å; H390-L401 PolarHBondContact ND1-O 2.79Å; I399-L401 HydrophobicContact CG2-CD2 3.65Å; I399-L401 HydrophobicContact CG2-CG 4.27Å
402	F	90.4	Very high	89.8	Confident	47 Å²	47	42.7 Å²	42.7	21%	0.206	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	136.3	180	-51.8	-85.9	0	0	0	111.3	V328 R329 R331 E400 S404	V328-F402 CarbonylContact C-O 3.59Å; V328-F402 WeakPolarHBondContact CA-O 3.36Å; R329-F402 PolarHBondContact N-O 3.44Å; R329-F402 PolarHBondContact O-N 2.91Å; R331-F402 HydrophobicContact CG-CD2 4.16Å; R331-F402 HydrophobicContact CG-CE2 3.97Å; E400-F402 HydrophobicContact CB-CD2 4.46Å; E400-F402 HydrophobicContact CB-CE2 3.46Å; E400-F402 VanDerWaalsContact CB-CE2 3.46Å; E400-F402 HydrophobicContact CB-CZ 3.71Å; F402-S404 PolarHBondContact O-N 2.85Å
403	R	89.1	Confident	89.3	Confident	26 Å²	26	40.2 Å²	40.2	10%	0.098	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	119.3	173.2	175.9	175.4	176.5	146.4	31.4	110.3	D238 Q239 R265 E380 L387	D238-R403 IonicContact OD1-NE 2.72Å; Q239-R403 VanDerWaalsContact CG-NH2 3.34Å; R265-R403 VanDerWaalsContact CZ-O 3.25Å; R265-R403 PolarHBondContact NH1-O 2.97Å; R265-R403 PolarHBondContact NH2-O 3.06Å; E380-R403 IonicContact OE1-CZ 3.45Å; E380-R403 IonicContact OE1-NH1 3.13Å; E380-R403 PolarHBondContact OE1-NH1 2.97Å; E380-R403 IonicContact OE1-NH2 2.76Å; E380-R403 PolarHBondContact OE1-NH2 3Å; E380-R403 IonicContact OE2-CZ 3.38Å; E380-R403 IonicContact OE2-NH1 2.9Å; E380-R403 PolarHBondContact OE2-NH1 2.84Å; E380-R403 IonicContact OE2-NH2 2.74Å; E380-R403 PolarHBondContact OE2-NH2 3.18Å; L387-R403 HydrophobicContact CD1-CB 4.03Å
404	S	88.9	Confident	88.8	Confident	4 Å²	4	37.3 Å²	37.3	3%	0.028	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	165.5	-170.6	-76.7	0	0	0	0	113.4	R265 I327 R329 F402 E408	R265-S404 PolarHBondContact NH2-OG 2.99Å; I327-S404 PolarHBondContact O-N 2.91Å; R329-S404 WeakPolarHBondContact CB-OG 3.32Å; F402-S404 PolarHBondContact O-N 2.85Å; S404-E408 WeakPolarHBondContact CA-OE2 3.33Å; S404-E408 WeakPolarHBondContact CB-OE2 3.29Å; S404-E408 PolarHBondContact OG-OE2 3.48Å
405	T	86.8	Confident	88.3	Confident	4 Å²	4	40.5 Å²	40.5	3%	0.025	20%	0.195	C	C	.	.			trans	-113.9	164.7	177.7	79.3	0	0	0	0	110.9	D238 L257 A407 E408 V409	D238-T405 HydrophobicContact CB-CG2 3.69Å; L257-T405 HydrophobicContact CD1-CG2 3.98Å; L257-T405 HydrophobicContact CG-CG2 4.15Å; T405-A407 PolarHBondContact O-N 2.92Å; T405-A407 PolarHBondContact OG1-N 2.95Å; T405-E408 WeakPolarHBondContact O-CB 3.38Å; T405-E408 PolarHBondContact O-N 2.85Å; T405-E408 PolarHBondContact OG1-N 2.71Å; T405-V409 PolarHBondContact O-N 2.83Å; T405-V409 VanDerWaalsContact O-N 3.14Å
406	A	84.7	Confident	87.8	Confident	10 Å²	10	39.3 Å²	39.3	8%	0.083	17%	0.171	C	C	.	.	H	α-helix	trans	-53.7	-40.5	173.4	0	0	0	0	0	112.7	G213 T214 L320 E408 V409 Q410	G213-A406 VanDerWaalsContact O-CB 3.26Å; G213-A406 WeakPolarHBondContact O-CB 3.43Å; T214-A406 HydrophobicContact CG2-CB 4.03Å; L320-A406 HydrophobicContact CD1-CB 3.71Å; A406-E408 VanDerWaalsContact C-N 3.32Å; A406-E408 PolarHBondContact O-N 3.27Å; A406-V409 WeakPolarHBondContact O-CB 3.34Å; A406-V409 PolarHBondContact O-N 2.95Å; A406-Q410 WeakPolarHBondContact O-CG 3.48Å; A406-Q410 PolarHBondContact O-N 2.89Å; A406-Q410 VanDerWaalsContact O-N 3.1Å
407	A	84.8	Confident	86.8	Confident	6 Å²	6	33.3 Å²	33.3	5%	0.05	16%	0.155	C	C	.	.	H	α-helix	trans	-66.2	-30.9	175.2	0	0	0	0	0	112.7	A256 A309 T405 Q411	A256-A407 HydrophobicContact CB-CB 3.81Å; A309-A407 HydrophobicContact CB-CB 3.73Å; T405-A407 PolarHBondContact O-N 2.92Å; T405-A407 PolarHBondContact OG1-N 2.95Å; A407-Q411 WeakPolarHBondContact O-CB 3.18Å; A407-Q411 VanDerWaalsContact O-CG 3.3Å; A407-Q411 WeakPolarHBondContact O-CG 3.46Å; A407-Q411 PolarHBondContact O-N 3.09Å; A407-Q411 PolarHBondContact O-NE2 2.95Å
408	E	88.1	Confident	85	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.009	15%	0.154	C	C	.	.	H	α-helix	trans	-69.7	-40	174.5	-160.7	-177.8	169.8	0	0	111.4	L259 R265 R329 S404 T405 A406 Q411 V412	L259-E408 HydrophobicContact CD1-CG 3.77Å; L259-E408 HydrophobicContact CD2-CG 4.06Å; L259-E408 HydrophobicContact CG-CG 4.09Å; R265-E408 IonicContact CZ-OE2 2.61Å; R265-E408 IonicContact NE-OE1 3.45Å; R265-E408 IonicContact NE-OE2 3.4Å; R265-E408 IonicContact NH2-OE1 2.71Å; R265-E408 IonicContact NH2-OE2 2.66Å; R265-E408 PolarHBondContact NH2-OE2 3.37Å; R329-E408 WeakPolarHBondContact CD-OE1 3.44Å; R329-E408 IonicContact CZ-OE1 3.42Å; R329-E408 IonicContact NE-OE1 2.66Å; R329-E408 IonicContact NH1-OE1 2.77Å; R329-E408 PolarHBondContact NH1-OE1 3.23Å; S404-E408 WeakPolarHBondContact CA-OE2 3.33Å; S404-E408 WeakPolarHBondContact CB-OE2 3.29Å; S404-E408 PolarHBondContact OG-OE2 3.48Å; T405-E408 WeakPolarHBondContact O-CB 3.38Å; T405-E408 PolarHBondContact O-N 2.85Å; T405-E408 PolarHBondContact OG1-N 2.71Å; A406-E408 VanDerWaalsContact C-N 3.32Å; A406-E408 PolarHBondContact O-N 3.27Å; E408-Q411 PolarHBondContact O-N 2.8Å; E408-V412 WeakPolarHBondContact O-CG2 3.24Å; E408-V412 PolarHBondContact O-N 3.08Å
409	V	88.3	Confident	82.5	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57	-50.6	173.1	178.9	0	0	0	0	110.3	V316 F319 I327 L360 F374 T405 A406 V412 L413	V316-V409 HydrophobicContact CG1-CG1 3.93Å; V316-V409 HydrophobicContact CG2-CG1 4.4Å; F319-V409 HydrophobicContact CD1-CG1 4.3Å; F319-V409 HydrophobicContact CE1-CG1 4.42Å; F319-V409 HydrophobicContact CE1-CG2 4.41Å; I327-V409 HydrophobicContact CD1-CG2 4.11Å; I327-V409 HydrophobicContact CG2-CG2 3.93Å; L360-V409 HydrophobicContact CD2-CG1 4.24Å; F374-V409 HydrophobicContact CB-CG2 4.43Å; F374-V409 HydrophobicContact CD1-CG2 3.65Å; F374-V409 HydrophobicContact CD2-CG1 4.28Å; F374-V409 HydrophobicContact CD2-CG2 4.26Å; F374-V409 HydrophobicContact CE1-CB 4.46Å; F374-V409 HydrophobicContact CE1-CG2 3.8Å; F374-V409 HydrophobicContact CE2-CB 4.43Å; F374-V409 HydrophobicContact CE2-CG1 4.42Å; F374-V409 HydrophobicContact CE2-CG2 4.41Å; F374-V409 HydrophobicContact CG-CG2 3.87Å; F374-V409 HydrophobicContact CZ-CB 4.38Å; F374-V409 HydrophobicContact CZ-CG2 4.19Å; T405-V409 PolarHBondContact O-N 2.83Å; T405-V409 VanDerWaalsContact O-N 3.14Å; A406-V409 WeakPolarHBondContact O-CB 3.34Å; A406-V409 PolarHBondContact O-N 2.95Å; V409-V412 PolarHBondContact O-N 3.47Å; V409-L413 HydrophobicContact CG1-CD1 3.7Å; V409-L413 WeakPolarHBondContact O-CB 3.37Å; V409-L413 PolarHBondContact O-N 3.02Å
410	Q	85.4	Confident	79.7	Confident	9 Å²	9	33 Å²	33	4%	0.042	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-46.4	178.3	-67.8	172.4	-1.6	0	0	112.7	A309 G311 V316 A406 V412 L413 N414	A309-Q410 PolarHBondContact O-OE1 2.98Å; G311-Q410 VanDerWaalsContact CA-CD 3.49Å; V316-Q410 HydrophobicContact CG1-CG 3.8Å; A406-Q410 WeakPolarHBondContact O-CG 3.48Å; A406-Q410 PolarHBondContact O-N 2.89Å; A406-Q410 VanDerWaalsContact O-N 3.1Å; Q410-V412 PolarHBondContact O-N 2.9Å; Q410-L413 PolarHBondContact O-N 3.09Å; Q410-N414 WeakPolarHBondContact O-CB 3.29Å; Q410-N414 PolarHBondContact O-N 3.37Å; Q410-N414 PolarHBondContact O-ND2 2.89Å
411	Q	86.9	Confident	76.8	Confident	19 Å²	19	38 Å²	38	9%	0.089	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-37.8	179.1	-81.2	169.2	78.8	0	0	113.8	L257 L259 I308 A407 E408 R415	L257-Q411 PolarHBondContact O-NE2 2.71Å; L257-Q411 PolarHBondContact O-OE1 2.92Å; L259-Q411 HydrophobicContact CD1-CB 4.16Å; I308-Q411 HydrophobicContact CG2-CG 4.36Å; I308-Q411 VanDerWaalsContact O-CG 3.31Å; I308-Q411 WeakPolarHBondContact O-CG 3.43Å; I308-Q411 PolarHBondContact O-NE2 3.12Å; A407-Q411 WeakPolarHBondContact O-CB 3.18Å; A407-Q411 VanDerWaalsContact O-CG 3.3Å; A407-Q411 WeakPolarHBondContact O-CG 3.46Å; A407-Q411 PolarHBondContact O-N 3.09Å; A407-Q411 PolarHBondContact O-NE2 2.95Å; E408-Q411 PolarHBondContact O-N 2.8Å; Q411-R415 WeakPolarHBondContact O-CB 3.27Å
412	V	87.4	Confident	74	Confident	1 Å²	1	44 Å²	44	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-71.6	-48.8	178.1	171.6	0	0	0	0	109.6	L259 V362 F374 E408 V409 Q410 R415 F416	L259-V412 HydrophobicContact CD1-CG2 3.47Å; L259-V412 VanDerWaalsContact CD1-CG2 3.47Å; V362-V412 HydrophobicContact CB-CG1 4.37Å; V362-V412 HydrophobicContact CG1-CG1 3.75Å; V362-V412 HydrophobicContact CG2-CG1 3.78Å; F374-V412 HydrophobicContact CE2-CB 3.88Å; F374-V412 HydrophobicContact CE2-CG1 3.9Å; F374-V412 HydrophobicContact CE2-CG2 4.37Å; F374-V412 HydrophobicContact CZ-CB 3.81Å; F374-V412 HydrophobicContact CZ-CG1 4.18Å; F374-V412 HydrophobicContact CZ-CG2 3.83Å; E408-V412 WeakPolarHBondContact O-CG2 3.24Å; E408-V412 PolarHBondContact O-N 3.08Å; V409-V412 PolarHBondContact O-N 3.47Å; Q410-V412 PolarHBondContact O-N 2.9Å; V412-R415 WeakPolarHBondContact O-CB 3.4Å; V412-R415 PolarHBondContact O-N 3.14Å; V412-F416 HydrophobicContact CG1-CD2 3.99Å; V412-F416 HydrophobicContact CG1-CE2 4.07Å; V412-F416 VanDerWaalsContact O-CD2 3.25Å; V412-F416 WeakPolarHBondContact O-CD2 3.43Å; V412-F416 PolarHBondContact O-N 2.79Å
413	L	84.4	Confident	71.3	Confident	14 Å²	14	46.8 Å²	46.8	7%	0.073	27%	0.271	C	S	.	.	H	α-helix	trans	-68.6	-44	-177.6	-72.3	161.3	0	0	0	112.4	V316 L360 V362 V409 Q410 R415 F416 S417	V316-L413 HydrophobicContact CG2-CB 4.43Å; V316-L413 HydrophobicContact CG2-CD1 3.45Å; V316-L413 VanDerWaalsContact CG2-CD1 3.45Å; L360-L413 HydrophobicContact CD2-CD1 3.55Å; L360-L413 HydrophobicContact CG-CD1 4.23Å; V362-L413 HydrophobicContact CB-CD2 4.43Å; V362-L413 HydrophobicContact CG1-CD2 4.18Å; V362-L413 HydrophobicContact CG2-CD2 4.13Å; V409-L413 HydrophobicContact CG1-CD1 3.7Å; V409-L413 WeakPolarHBondContact O-CB 3.37Å; V409-L413 PolarHBondContact O-N 3.02Å; Q410-L413 PolarHBondContact O-N 3.09Å; L413-R415 PolarHBondContact O-N 2.95Å; L413-F416 PolarHBondContact O-N 2.77Å; L413-F416 VanDerWaalsContact O-N 3.07Å; L413-S417 WeakPolarHBondContact O-CB 3.26Å; L413-S417 PolarHBondContact O-N 2.67Å; L413-S417 PolarHBondContact O-OG 3.36Å
414	N	82.4	Confident	68.7	Low	62 Å²	62	52.9 Å²	52.9	33%	0.332	31%	0.305	S	S	.	.	H	α-helix	trans	-55.6	-28.1	175.7	-75.2	-13	0	0	0	113	Q410 S417 S418	Q410-N414 WeakPolarHBondContact O-CB 3.29Å; Q410-N414 PolarHBondContact O-N 3.37Å; Q410-N414 PolarHBondContact O-ND2 2.89Å; N414-S417 WeakPolarHBondContact CA-OG 3.47Å; N414-S418 WeakPolarHBondContact O-CB 3.31Å; N414-S418 PolarHBondContact O-N 3.29Å; N414-S418 PolarHBondContact O-OG 2.77Å
415	R	81.6	Confident	65.9	Low	75 Å²	75	58 Å²	58	28%	0.283	34%	0.338	S	S	.	.	H	α-helix	trans	-81.7	-31.2	179.4	-176.8	-170.4	-49.3	-150.2	-3.1	113.9	N260 A261 Q411 V412 L413	N260-R415 PolarHBondContact O-NH1 3.36Å; N260-R415 PolarHBondContact O-NH2 3.12Å; N260-R415 VanDerWaalsContact O-NH2 3.12Å; A261-R415 PolarHBondContact O-NH1 2.84Å; Q411-R415 WeakPolarHBondContact O-CB 3.27Å; V412-R415 WeakPolarHBondContact O-CB 3.4Å; V412-R415 PolarHBondContact O-N 3.14Å; L413-R415 PolarHBondContact O-N 2.95Å
416	F	77	Confident	63.5	Low	40 Å²	40	63.8 Å²	63.8	18%	0.175	37%	0.374	C	S	.	.	H	α-helix	trans	-95.5	-19.9	178.5	-69.1	-68.6	0	0	0	112.6	V362 T363 Y364 P365 T370 V412 L413	V362-F416 HydrophobicContact CG1-CB 4.08Å; V362-F416 HydrophobicContact CG1-CD2 3.39Å; V362-F416 HydrophobicContact CG1-CE2 4.07Å; V362-F416 HydrophobicContact CG1-CG 3.97Å; T363-F416 WeakPolarHBondContact O-CB 3.24Å; Y364-F416 AromaticContact CD1-CD1 3.91Å; Y364-F416 HydrophobicContact CD1-CD1 3.91Å; Y364-F416 AromaticContact CE1-CD1 3.55Å; Y364-F416 HydrophobicContact CE1-CD1 3.55Å; Y364-F416 AromaticContact CE1-CE1 3.77Å; Y364-F416 HydrophobicContact CE1-CE1 3.77Å; Y364-F416 AromaticContact CZ-CE1 3.92Å; P365-F416 WeakPolarHBondContact CD-O 3.12Å; P365-F416 VanDerWaalsContact CG-O 3.26Å; P365-F416 WeakPolarHBondContact CG-O 3.4Å; T370-F416 HydrophobicContact CG2-CB 4.44Å; T370-F416 HydrophobicContact CG2-CD1 3.61Å; T370-F416 HydrophobicContact CG2-CD2 4.1Å; T370-F416 HydrophobicContact CG2-CE1 3.73Å; T370-F416 HydrophobicContact CG2-CE2 4.21Å; T370-F416 HydrophobicContact CG2-CG 3.81Å; T370-F416 HydrophobicContact CG2-CZ 4.03Å; V412-F416 HydrophobicContact CG1-CD2 3.99Å; V412-F416 HydrophobicContact CG1-CE2 4.07Å; V412-F416 VanDerWaalsContact O-CD2 3.25Å; V412-F416 WeakPolarHBondContact O-CD2 3.43Å; V412-F416 PolarHBondContact O-N 2.79Å; L413-F416 PolarHBondContact O-N 2.77Å; L413-F416 VanDerWaalsContact O-N 3.07Å
417	S	68.3	Low	61.1	Low	78 Å²	78	68.5 Å²	68.5	55%	0.545	40%	0.403	S	S	.	.	H	α-helix	trans	-83	-29	170.5	67.8	0	0	0	0	113	L413 N414 A419	L413-S417 WeakPolarHBondContact O-CB 3.26Å; L413-S417 PolarHBondContact O-N 2.67Å; L413-S417 PolarHBondContact O-OG 3.36Å; N414-S417 WeakPolarHBondContact CA-OG 3.47Å; S417-A419 PolarHBondContact O-N 2.92Å
418	S	54.9	Low	58.6	Low	60 Å²	60	73.4 Å²	73.4	42%	0.42	44%	0.435	S	S	.	.	S	Bend	trans	-72.3	116	166.4	50.6	0	0	0	0	110	N414	N414-S418 WeakPolarHBondContact O-CB 3.31Å; N414-S418 PolarHBondContact O-N 3.29Å; N414-S418 PolarHBondContact O-OG 2.77Å
419	A	42.4	Very low	56.2	Low	61 Å²	61	81.4 Å²	81.4	50%	0.504	48%	0.476	S	S	.	.			trans	-54.3	145.9	155.3	0	0	0	0	0	108.6	S417 L421	S417-A419 PolarHBondContact O-N 2.92Å; A419-L421 PolarHBondContact O-N 2.8Å
420	P	35.7	Very low	53.7	Low	114 Å²	114	87.8 Å²	87.8	74%	0.74	51%	0.509	S	S	*	.			trans	-61.5	103.8	-178	24.7	-33.8	0	0	0	110.1	I422	P420-I422 PolarHBondContact O-N 3.05Å
421	L	33.1	Very low	51	Low	163 Å²	163	92.8 Å²	92.8	85%	0.853	54%	0.542	S	S	*	.			trans	-74.9	52.4	173.8	-73.1	173	0	0	0	111	A419 P423	A419-L421 PolarHBondContact O-N 2.8Å; L421-P423 VanDerWaalsContact C-CD 3.5Å; L421-P423 WeakPolarHBondContact O-CD 3.35Å
422	I	34	Very low	48.7	Very low	129 Å²	129	98.5 Å²	98.5	66%	0.662	58%	0.578	S	S	*	*			trans	-104.4	93.9	157.9	-58.4	175.5	0	0	0	105	P420 L424	P420-I422 PolarHBondContact O-N 3.05Å; I422-L424 PolarHBondContact O-N 3.21Å
423	P	33.9	Very low	46	Very low	105 Å²	105	106.4 Å²	106.4	68%	0.682	62%	0.619	S	S	*	*			trans	-52	124.1	146.8	-13.5	27.9	0	0	0	105.9	L421 P425	L421-P423 VanDerWaalsContact C-CD 3.5Å; L421-P423 WeakPolarHBondContact O-CD 3.35Å; P423-P425 VanDerWaalsContact O-N 3.09Å
424	L	32.8	Very low	43.7	Very low	154 Å²	154	111.1 Å²	111.1	81%	0.806	65%	0.651	S	S	*	*			trans	-49.4	123.1	166.9	-75.1	165.2	0	0	0	106.5	I422 T426	I422-L424 PolarHBondContact O-N 3.21Å; L424-T426 PolarHBondContact O-N 2.9Å
425	P	31	Very low	41.3	Very low	112 Å²	112	116.3 Å²	116.3	73%	0.727	67%	0.673	S	S	*	*			trans	-59.3	112.9	-169.3	21.7	-32.6	0	0	0	108.3	P423 P427	P423-P425 VanDerWaalsContact O-N 3.09Å; P425-P427 VanDerWaalsContact O-N 3.14Å
426	T	36.4	Very low	39	Very low	126 Å²	126	120.9 Å²	120.9	77%	0.773	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-55.5	122.2	176	45.6	0	0	0	0	107.1	L424	L424-T426 PolarHBondContact O-N 2.9Å
427	P	35	Very low	37.2	Very low	108 Å²	108	129.1 Å²	129.1	70%	0.701	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-57.2	144.9	-176.3	23.6	-33.5	0	0	0	109.3	P425 I429	P425-P427 VanDerWaalsContact O-N 3.14Å; P427-I429 PolarHBondContact O-N 3.33Å
428	P	31.6	Very low	35.5	Very low	109 Å²	109	132 Å²	132	71%	0.708	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-55.9	132.3	-176.8	23.6	-33.8	0	0	0	109.8	I430	P428-I430 VanDerWaalsContact C-N 3.28Å; P428-I430 PolarHBondContact O-N 3.16Å
429	I	37.8	Very low	34.5	Very low	170 Å²	170	134 Å²	134	87%	0.872	76%	0.759	S	S	*	*			trans	-72.7	87.7	-179.7	-57.2	175.8	0	0	0	108.1	P427	P427-I429 PolarHBondContact O-N 3.33Å
430	I	35.3	Very low	34.9	Very low	135 Å²	135	136.8 Å²	136.8	69%	0.692	77%	0.772	S	S	*	*			trans	-68.3	134.2	170.7	-61.9	172.9	0	0	0	107.7	P428 V432	P428-I430 VanDerWaalsContact C-N 3.28Å; P428-I430 PolarHBondContact O-N 3.16Å; I430-V432 PolarHBondContact O-N 3.45Å
431	P	30.1	Very low	35.3	Very low	114 Å²	114	137.1 Å²	137.1	74%	0.74	77%	0.772	S	S	*	*			trans	-55.1	137.3	178.2	-27.5	35.8	0	0	0	112.9	L433	P431-L433 PolarHBondContact O-N 3.03Å
432	V	37.5	Very low	36.6	Very low	138 Å²	138	134.6 Å²	134.6	84%	0.836	76%	0.759	S	S	*	*			trans	-68.4	114	-172	-179.6	0	0	0	0	111.6	I430	I430-V432 PolarHBondContact O-N 3.45Å
433	L	31.9	Very low	38.6	Very low	167 Å²	167	131.5 Å²	131.5	87%	0.874	75%	0.747	S	S	*	*			trans	-105.3	124.3	160	-94.2	162.5	0	0	0	108.7	P431 Q435	P431-L433 PolarHBondContact O-N 3.03Å; L433-Q435 PolarHBondContact O-N 3.22Å
434	P	35.8	Very low	41	Very low	113 Å²	113	129.9 Å²	129.9	73%	0.734	73%	0.727	S	S	*	*			trans	-89.6	95.7	-164.5	33.4	-35.2	0	0	0	113.2
435	Q	30.4	Very low	43.7	Very low	172 Å²	172	123.1 Å²	123.1	80%	0.804	69%	0.692	S	S	*	*			trans	-131.9	104.2	165.2	-72.9	-163.7	-23.2	0	0	114.2	L433	L433-Q435 PolarHBondContact O-N 3.22Å
436	Q	33.7	Very low	46.5	Very low	171 Å²	171	117.8 Å²	117.8	80%	0.799	66%	0.657	S	S	*	*			trans	57.4	103.7	135.8	-59.4	-179.8	-0.7	0	0	119.7
437	F	39.2	Very low	49.1	Very low	212 Å²	212	111.8 Å²	111.8	93%	0.93	62%	0.62	S	S	*	*			trans	34.1	88.1	144.2	-86.4	-91	0	0	0	118.1
438	V	32.8	Very low	51.8	Low	138 Å²	138	108.8 Å²	108.8	84%	0.836	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-93.3	118.3	156.2	-174.4	0	0	0	0	108.5
439	P	34.7	Very low	54.7	Low	102 Å²	102	103.6 Å²	103.6	66%	0.662	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-75.9	150	172.9	31.7	-33.9	0	0	0	110.9
440	P	49.4	Very low	57.1	Low	120 Å²	120	99.5 Å²	99.5	78%	0.779	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-76.1	136.5	175	31.9	-34	0	0	0	110.9
441	T	45.3	Very low	59.4	Low	121 Å²	121	94 Å²	94	74%	0.742	51%	0.511	S	S	*	.			trans	179.6	160.6	142.2	17.4	0	0	0	0	111.8	V443	T441-V443 PolarHBondContact O-N 3.28Å; T441-V443 VanDerWaalsContact OG1-CG2 3.3Å; T441-V443 WeakPolarHBondContact OG1-CG2 3.46Å
442	N	59.7	Low	62.1	Low	110 Å²	110	88.6 Å²	88.6	59%	0.588	48%	0.476	S	S	*	.			trans	-76.1	67.5	166.2	-135.3	-76.7	0	0	0	109.5	R444	N442-R444 PolarHBondContact O-N 2.84Å
443	V	76.4	Confident	64.4	Low	65 Å²	65	83 Å²	83	39%	0.394	44%	0.443	S	S	.	.			trans	-69.3	127.8	-172.8	-174.2	0	0	0	0	110.2	T441 D445 A498 S524	T441-V443 PolarHBondContact O-N 3.28Å; T441-V443 VanDerWaalsContact OG1-CG2 3.3Å; T441-V443 WeakPolarHBondContact OG1-CG2 3.46Å; V443-D445 HydrophobicContact CG1-CB 3.91Å; V443-D445 PolarHBondContact O-N 3.23Å; V443-A498 HydrophobicContact CG1-CB 3.98Å; V443-S524 WeakPolarHBondContact O-CA 3.41Å; V443-S524 WeakPolarHBondContact O-CB 3.49Å
444	R	84.9	Confident	66.8	Low	70 Å²	70	82.3 Å²	82.3	26%	0.264	43%	0.429	S	S	.	.			trans	-98.7	61.2	175.9	-72.7	-171	153.9	-163.2	-10	111.4	N442 A501 Q522 C523 E527	N442-R444 PolarHBondContact O-N 2.84Å; R444-A501 WeakPolarHBondContact O-CB 3.43Å; R444-Q522 HydrophobicContact CB-CG 3.99Å; R444-Q522 WeakPolarHBondContact O-CG 3.41Å; R444-Q522 PolarHBondContact O-NE2 2.82Å; R444-C523 CarbonylContact C-O 3.59Å; R444-C523 VanDerWaalsContact CA-O 3.25Å; R444-C523 WeakPolarHBondContact CA-O 3.41Å; R444-E527 IonicContact CZ-OE1 3.17Å; R444-E527 IonicContact CZ-OE2 3.99Å; R444-E527 IonicContact NE-OE2 2.7Å; R444-E527 IonicContact NH2-OE1 2.83Å; R444-E527 PolarHBondContact NH2-OE1 2.72Å; R444-E527 IonicContact NH2-OE2 3.82Å; R444-E527 PolarHBondContact NH2-OE2 2.86Å
445	D	88.6	Confident	69	Low	12 Å²	12	81 Å²	81	6%	0.064	43%	0.428	C	S	.	.			trans	-93.2	8	176.8	69.6	-32	0	0	0	114.1	V443 R473 M495 A498	V443-D445 HydrophobicContact CG1-CB 3.91Å; V443-D445 PolarHBondContact O-N 3.23Å; D445-R473 IonicContact OD2-CZ 3.22Å; D445-R473 IonicContact OD2-NE 2.7Å; D445-R473 IonicContact OD2-NH2 2.67Å; D445-R473 PolarHBondContact OD2-NH2 2.98Å; D445-M495 WeakPolarHBondContact O-CA 3.5Å; D445-M495 VanDerWaalsContact O-CB 3.24Å; D445-M495 WeakPolarHBondContact O-CB 3.45Å; D445-M495 WeakPolarHBondContact O-CG 3.48Å; D445-M495 PolarHBondContact O-N 2.95Å; D445-A498 HydrophobicContact CB-CB 4.39Å
446	C	89.3	Confident	71.6	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	157.2	172	-67	0	0	0	0	112.4	I493 C523 M528	C446-I493 CarbonylContact C-O 3.49Å; C446-I493 VanDerWaalsContact CA-O 3.3Å; C446-I493 WeakPolarHBondContact CA-O 3.33Å; C446-C523 CarbonylContact C-O 3.51Å; C446-C523 WeakPolarHBondContact CA-O 3.45Å; C446-C523 WeakPolarHBondContact CB-O 3.33Å; C446-C523 VanDerWaalsContact CB-SG 3.56Å; C446-C523 PolarHBondContact N-O 2.84Å; C446-C523 PolarHBondContact O-N 2.65Å; C446-M528 HydrophobicContact CB-SD 4.24Å
447	I	92.3	Very high	74.1	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132.9	175	-52.1	174	0	0	0	108.4	L449 F492 I493 M495 A501 A504 V520 F521	I447-L449 HydrophobicContact CG2-CD2 4.27Å; I447-F492 CarbonylContact O-C 3.59Å; I447-F492 WeakPolarHBondContact O-CA 3.34Å; I447-I493 HydrophobicContact CB-CB 4.43Å; I447-I493 PolarHBondContact N-O 2.76Å; I447-I493 PolarHBondContact O-N 3.18Å; I447-M495 HydrophobicContact CD1-CE 4.34Å; I447-M495 HydrophobicContact CD1-CG 3.81Å; I447-M495 HydrophobicContact CD1-SD 3.73Å; I447-M495 HydrophobicContact CG1-CG 4.02Å; I447-M495 HydrophobicContact CG1-SD 4.48Å; I447-A501 HydrophobicContact CD1-CB 4.5Å; I447-A501 HydrophobicContact CG1-CB 3.94Å; I447-A504 HydrophobicContact CD1-CB 3.56Å; I447-V520 HydrophobicContact CG2-CG1 3.29Å; I447-F521 CarbonylContact C-O 3.54Å; I447-F521 WeakPolarHBondContact CA-O 3.19Å
448	R	91.6	Very high	76.3	Confident	45 Å²	45	62 Å²	62	17%	0.17	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	124.2	165.3	-175	179.8	177.5	176.2	0.9	109.6	D490 A491 F492 V520 F521	R448-D490 IonicContact CZ-OD2 3.66Å; R448-D490 IonicContact NE-OD2 2.64Å; R448-D490 PolarHBondContact NE-OD2 3.11Å; R448-D490 IonicContact NH2-OD2 2.74Å; R448-D490 PolarHBondContact NH2-OD2 3.28Å; R448-A491 CarbonylContact C-O 3.52Å; R448-A491 WeakPolarHBondContact CA-O 3.29Å; R448-F492 HydrophobicContact CB-CD1 3.9Å; R448-F492 HydrophobicContact CB-CE1 3.67Å; R448-F492 HydrophobicContact CB-CZ 4.35Å; R448-F492 HydrophobicContact CG-CD1 4.16Å; R448-F492 HydrophobicContact CG-CE1 3.69Å; R448-F492 HydrophobicContact CG-CE2 4.44Å; R448-F492 HydrophobicContact CG-CZ 3.84Å; R448-V520 WeakPolarHBondContact O-CA 3.24Å; R448-F521 PolarHBondContact N-O 3.46Å; R448-F521 PolarHBondContact O-N 2.8Å
449	L	91.2	Very high	78.9	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	136.5	164.4	-57.6	-174.4	0	0	0	108.9	I447 L452 I461 F464 D490 A491 I493 V518 V520	I447-L449 HydrophobicContact CG2-CD2 4.27Å; L449-L452 HydrophobicContact CB-CD1 3.92Å; L449-L452 HydrophobicContact CB-CD2 4.11Å; L449-L452 HydrophobicContact CB-CG 4.05Å; L449-L452 HydrophobicContact CD1-CD1 4.32Å; L449-L452 HydrophobicContact CD1-CD2 3.97Å; L449-I461 HydrophobicContact CD1-CG1 4.39Å; L449-I461 HydrophobicContact CD1-CG2 3.82Å; L449-F464 HydrophobicContact CD2-CE1 4.18Å; L449-D490 CarbonylContact O-C 3.48Å; L449-D490 VanDerWaalsContact O-CA 3.28Å; L449-D490 WeakPolarHBondContact O-CA 3.3Å; L449-A491 HydrophobicContact CB-CB 4.49Å; L449-A491 PolarHBondContact N-O 3.14Å; L449-A491 PolarHBondContact O-N 3.46Å; L449-I493 HydrophobicContact CD1-CD1 3.54Å; L449-I493 HydrophobicContact CG-CD1 3.99Å; L449-V518 HydrophobicContact CB-CG1 4.13Å; L449-V518 HydrophobicContact CD2-CG1 4.22Å; L449-V520 HydrophobicContact CD2-CB 4.24Å; L449-V520 HydrophobicContact CD2-CG1 3.8Å; L449-V520 HydrophobicContact CD2-CG2 3.63Å
450	R	88.8	Confident	81.4	Confident	85 Å²	85	57.6 Å²	57.6	32%	0.321	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	138.6	176.6	170.4	172.8	-159	-172.7	7.4	110.2	D490 V518 E519 F521	R450-D490 WeakPolarHBondContact CG-OD1 3.45Å; R450-V518 CarbonylContact O-C 3.54Å; R450-V518 WeakPolarHBondContact O-CA 3.47Å; R450-V518 WeakPolarHBondContact O-CG1 3.21Å; R450-E519 HydrophobicContact CB-CB 4.29Å; R450-E519 PolarHBondContact N-O 2.79Å; R450-E519 PolarHBondContact O-N 3.29Å; R450-F521 HydrophobicContact CB-CE2 4.47Å
451	G	83.5	Confident	83.2	Confident	19 Å²	19	51.9 Å²	51.9	20%	0.196	28%	0.276	C	S	.	.	S	Bend	trans	91.7	9.4	-179.3	0	0	0	0	0	114.4	G489 R516	G451-G489 PolarHBondContact N-O 2.92Å; G451-R516 VanDerWaalsContact C-NH2 3.33Å; G451-R516 PolarHBondContact O-NE 2.81Å; G451-R516 PolarHBondContact O-NH2 3.33Å; G451-R516 VanDerWaalsContact O-NH2 3.08Å
452	L	87.6	Confident	85.3	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.256	C	S	.	.			trans	-53.6	133	172.4	-61.8	173.9	0	0	0	110.8	L449 A456 I461 M479 G489 A491 M513 R516 V518	L449-L452 HydrophobicContact CB-CD1 3.92Å; L449-L452 HydrophobicContact CB-CD2 4.11Å; L449-L452 HydrophobicContact CB-CG 4.05Å; L449-L452 HydrophobicContact CD1-CD1 4.32Å; L449-L452 HydrophobicContact CD1-CD2 3.97Å; L452-A456 HydrophobicContact CB-CB 4.5Å; L452-I461 HydrophobicContact CD1-CD1 3.91Å; L452-I461 HydrophobicContact CD1-CG1 4.4Å; L452-I461 HydrophobicContact CD2-CG1 4.26Å; L452-M479 HydrophobicContact CD1-CE 4.45Å; L452-G489 WeakPolarHBondContact CB-O 3.45Å; L452-G489 PolarHBondContact N-O 3.17Å; L452-G489 WeakPolarHBondContact O-CA 3.42Å; L452-A491 HydrophobicContact CD1-CB 3.49Å; L452-A491 VanDerWaalsContact CD1-CB 3.49Å; L452-M513 HydrophobicContact CD2-CE 3.53Å; L452-M513 HydrophobicContact CD2-SD 3.56Å; L452-M513 VanDerWaalsContact CD2-SD 3.56Å; L452-R516 PolarHBondContact O-NH2 2.86Å; L452-V518 HydrophobicContact CD2-CG1 4Å; L452-V518 HydrophobicContact CD2-CG2 4.08Å
453	P	85.8	Confident	86.6	Confident	22 Å²	22	50.1 Å²	50.1	14%	0.143	26%	0.262	C	S	.	.			trans	-51.8	144.1	173.3	-25.7	33.2	0	0	0	112.2	A455 A456 M513 K514 R516	P453-A455 PolarHBondContact O-N 3.47Å; P453-A456 HydrophobicContact CB-CB 4.27Å; P453-A456 WeakPolarHBondContact O-CB 3.46Å; P453-A456 PolarHBondContact O-N 3.2Å; P453-M513 HydrophobicContact CG-CG 4.38Å; P453-M513 WeakPolarHBondContact CG-O 3.41Å; P453-M513 HydrophobicContact CG-SD 4.44Å; P453-K514 HydrophobicContact CG-CB 4.49Å; P453-R516 HydrophobicContact CG-CB 4.43Å; P453-R516 HydrophobicContact CG-CG 4.3Å
454	Y	81.8	Confident	87.2	Confident	151 Å²	151	47.4 Å²	47.4	59%	0.592	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-8.6	-178.1	-57.9	-58.6	0	0	0	114.5	P487	Y454-P487 WeakPolarHBondContact CD1-O 3.32Å; Y454-P487 VanDerWaalsContact O-CG 3.24Å; Y454-P487 WeakPolarHBondContact O-CG 3.39Å
455	A	82.9	Confident	87.3	Confident	86 Å²	86	44.2 Å²	44.2	71%	0.711	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.5	16.7	172.7	0	0	0	0	0	112.5	P453	P453-A455 PolarHBondContact O-N 3.47Å
456	A	83.9	Confident	87.2	Confident	11 Å²	11	45.4 Å²	45.4	9%	0.091	25%	0.248	C	C	.	.			trans	-75.3	132.1	176.2	0	0	0	0	0	111.1	L452 P453 D460 M513	L452-A456 HydrophobicContact CB-CB 4.5Å; P453-A456 HydrophobicContact CB-CB 4.27Å; P453-A456 WeakPolarHBondContact O-CB 3.46Å; P453-A456 PolarHBondContact O-N 3.2Å; A456-D460 VanDerWaalsContact CA-OD2 3.27Å; A456-D460 WeakPolarHBondContact CA-OD2 3.48Å; A456-D460 HydrophobicContact CB-CB 4.44Å; A456-M513 HydrophobicContact CB-SD 3.91Å
457	T	86.7	Confident	87.1	Confident	65 Å²	65	51 Å²	51	40%	0.399	27%	0.274	S	S	.	.			trans	-96.4	-178.1	178.2	74	0	0	0	0	111.8	E459 D460 I461	T457-E459 VanDerWaalsContact C-N 3.31Å; T457-E459 WeakPolarHBondContact CB-OE2 3.48Å; T457-E459 PolarHBondContact OG1-N 2.71Å; T457-E459 PolarHBondContact OG1-OE2 3.34Å; T457-D460 PolarHBondContact N-OD2 2.91Å; T457-D460 PolarHBondContact OG1-N 2.91Å; T457-I461 WeakPolarHBondContact O-CG1 3.49Å
458	I	84.8	Confident	86.8	Confident	79 Å²	79	51.4 Å²	51.4	41%	0.405	28%	0.276	S	S	.	.	H	α-helix	trans	-69.9	-35.5	176	-62.7	176.3	0	0	0	109.8	I461 L462 V477	I458-I461 WeakPolarHBondContact O-CB 3.47Å; I458-I461 PolarHBondContact O-N 3.16Å; I458-I461 VanDerWaalsContact O-N 3.15Å; I458-L462 HydrophobicContact CG2-CD1 4.38Å; I458-L462 WeakPolarHBondContact O-CG 3.47Å; I458-L462 PolarHBondContact O-N 3.38Å; I458-V477 HydrophobicContact CG2-CG1 4.37Å
459	E	86.9	Confident	86.5	Confident	117 Å²	117	50.5 Å²	50.5	55%	0.547	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-46.5	177.6	-57.7	70	-150.9	0	0	111	T457 I461 L462 D463	T457-E459 VanDerWaalsContact C-N 3.31Å; T457-E459 WeakPolarHBondContact CB-OE2 3.48Å; T457-E459 PolarHBondContact OG1-N 2.71Å; T457-E459 PolarHBondContact OG1-OE2 3.34Å; E459-I461 PolarHBondContact O-N 2.93Å; E459-L462 PolarHBondContact O-N 3.34Å; E459-L462 VanDerWaalsContact O-N 3.11Å; E459-D463 PolarHBondContact O-N 3.36Å
460	D	87.8	Confident	86.2	Confident	31 Å²	31	55.7 Å²	55.7	17%	0.166	31%	0.31	C	S	.	.	H	α-helix	trans	-53.9	-37.7	173.9	-74.3	-41.6	0	0	0	112.5	A456 T457 F464 M513 K514	A456-D460 VanDerWaalsContact CA-OD2 3.27Å; A456-D460 WeakPolarHBondContact CA-OD2 3.48Å; A456-D460 HydrophobicContact CB-CB 4.44Å; T457-D460 PolarHBondContact N-OD2 2.91Å; T457-D460 PolarHBondContact OG1-N 2.91Å; D460-F464 WeakPolarHBondContact O-CB 3.33Å; D460-F464 PolarHBondContact O-N 3.06Å; D460-M513 HydrophobicContact CB-CE 4.5Å; D460-M513 HydrophobicContact CB-SD 4.37Å; D460-K514 WeakPolarHBondContact OD1-CE 3.49Å; D460-K514 IonicContact OD1-NZ 2.85Å; D460-K514 PolarHBondContact OD1-NZ 2.82Å; D460-K514 IonicContact OD2-NZ 2.66Å; D460-K514 PolarHBondContact OD2-NZ 3.39Å
461	I	88.7	Confident	86.1	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-73.8	-37.7	-178.5	-70.8	167.9	0	0	0	111.3	L449 L452 T457 I458 E459 F464 L465 V477 M479 A491 I493 M513	L449-I461 HydrophobicContact CD1-CG1 4.39Å; L449-I461 HydrophobicContact CD1-CG2 3.82Å; L452-I461 HydrophobicContact CD1-CD1 3.91Å; L452-I461 HydrophobicContact CD1-CG1 4.4Å; L452-I461 HydrophobicContact CD2-CG1 4.26Å; T457-I461 WeakPolarHBondContact O-CG1 3.49Å; I458-I461 WeakPolarHBondContact O-CB 3.47Å; I458-I461 PolarHBondContact O-N 3.16Å; I458-I461 VanDerWaalsContact O-N 3.15Å; E459-I461 PolarHBondContact O-N 2.93Å; I461-F464 PolarHBondContact O-N 3.03Å; I461-L465 WeakPolarHBondContact O-CG 3.29Å; I461-L465 PolarHBondContact O-N 3.11Å; I461-L465 VanDerWaalsContact O-N 3.14Å; I461-V477 HydrophobicContact CG2-CG1 4.41Å; I461-M479 HydrophobicContact CD1-CE 4.09Å; I461-M479 HydrophobicContact CD1-SD 3.41Å; I461-M479 WeakPolarHBondContact CD1-SD 3.42Å; I461-A491 HydrophobicContact CD1-CB 4.49Å; I461-I493 HydrophobicContact CG2-CD1 3.46Å; I461-I493 VanDerWaalsContact CG2-CD1 3.46Å; I461-M513 HydrophobicContact CG1-CE 3.94Å
462	L	88.1	Confident	86.3	Confident	64 Å²	64	52.8 Å²	52.8	34%	0.335	30%	0.296	S	S	.	.	H	α-helix	trans	-66.1	-47.2	174.4	-63.2	173.4	0	0	0	110.6	I458 E459 F464 L465 G466 A469 I472	I458-L462 HydrophobicContact CG2-CD1 4.38Å; I458-L462 WeakPolarHBondContact O-CG 3.47Å; I458-L462 PolarHBondContact O-N 3.38Å; E459-L462 PolarHBondContact O-N 3.34Å; E459-L462 VanDerWaalsContact O-N 3.11Å; L462-F464 VanDerWaalsContact C-N 3.3Å; L462-F464 PolarHBondContact O-N 3.27Å; L462-L465 PolarHBondContact O-N 3.36Å; L462-G466 PolarHBondContact O-N 2.86Å; L462-A469 HydrophobicContact CB-CB 4.33Å; L462-A469 HydrophobicContact CD2-CB 4.06Å; L462-I472 HydrophobicContact CD2-CD1 3.62Å
463	D	87.9	Confident	86.1	Confident	130 Å²	130	57.8 Å²	57.8	70%	0.695	32%	0.315	S	S	*	.	H	α-helix	trans	-62.6	-36.2	176.1	-77	-11.1	0	0	0	112.4	E459 G466	E459-D463 PolarHBondContact O-N 3.36Å; D463-G466 PolarHBondContact O-N 2.87Å
464	F	88.5	Confident	85.5	Confident	8 Å²	8	63 Å²	63	4%	0.035	35%	0.347	C	S	.	.	H	α-helix	trans	-64.8	-37.5	175.3	173.8	-96.1	0	0	0	112.9	L449 D460 I461 L462 C508 K511 M513 V518 V520	L449-F464 HydrophobicContact CD2-CE1 4.18Å; D460-F464 WeakPolarHBondContact O-CB 3.33Å; D460-F464 PolarHBondContact O-N 3.06Å; I461-F464 PolarHBondContact O-N 3.03Å; L462-F464 VanDerWaalsContact C-N 3.3Å; L462-F464 PolarHBondContact O-N 3.27Å; F464-C508 HydrophobicContact CE1-CB 3.74Å; F464-C508 HydrophobicContact CZ-CB 3.98Å; F464-C508 WeakPolarHBondContact CZ-O 3.41Å; F464-K511 HydrophobicContact CD2-CD 4.07Å; F464-K511 HydrophobicContact CD2-CG 4.31Å; F464-K511 HydrophobicContact CE2-CB 3.67Å; F464-K511 HydrophobicContact CE2-CD 3.81Å; F464-K511 HydrophobicContact CE2-CG 3.73Å; F464-K511 HydrophobicContact CZ-CB 3.96Å; F464-K511 HydrophobicContact CZ-CD 4.37Å; F464-K511 HydrophobicContact CZ-CG 4.43Å; F464-K511 PolarHBondContact O-NZ 2.95Å; F464-M513 HydrophobicContact CB-CE 3.4Å; F464-M513 VanDerWaalsContact CB-CE 3.4Å; F464-M513 HydrophobicContact CD1-CE 4.13Å; F464-M513 HydrophobicContact CD2-CB 3.9Å; F464-M513 HydrophobicContact CD2-CE 4.01Å; F464-M513 HydrophobicContact CE2-CB 4.26Å; F464-M513 HydrophobicContact CG-CE 3.6Å; F464-V518 HydrophobicContact CE1-CB 4.36Å; F464-V518 HydrophobicContact CE1-CG1 4.23Å; F464-V518 HydrophobicContact CE2-CB 4.04Å; F464-V518 HydrophobicContact CE2-CG2 4.06Å; F464-V518 HydrophobicContact CZ-CB 3.66Å; F464-V518 HydrophobicContact CZ-CG1 4.02Å; F464-V518 HydrophobicContact CZ-CG2 4.13Å; F464-V520 HydrophobicContact CE1-CG2 4.07Å; F464-V520 HydrophobicContact CZ-CG2 4.19Å
465	L	86.3	Confident	85.2	Confident	4 Å²	4	64.6 Å²	64.6	2%	0.021	36%	0.359	C	S	.	.	H	α-helix	trans	-81.1	-27.1	176	-72.5	179	0	0	0	113.6	I461 L462 E467 F468 I472 I493 C508	I461-L465 WeakPolarHBondContact O-CG 3.29Å; I461-L465 PolarHBondContact O-N 3.11Å; I461-L465 VanDerWaalsContact O-N 3.14Å; L462-L465 PolarHBondContact O-N 3.36Å; L465-E467 PolarHBondContact O-N 2.98Å; L465-F468 HydrophobicContact CB-CB 4.39Å; L465-F468 WeakPolarHBondContact O-CD2 3.48Å; L465-F468 PolarHBondContact O-N 3.49Å; L465-I472 HydrophobicContact CD1-CD1 3.78Å; L465-I472 HydrophobicContact CD1-CG1 4.5Å; L465-I493 HydrophobicContact CD1-CD1 3.6Å; L465-I493 HydrophobicContact CD1-CG2 4.37Å; L465-C508 HydrophobicContact CD2-CB 4.42Å
466	G	87	Confident	85	Confident	37 Å²	37	60.6 Å²	60.6	38%	0.381	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	57	-117.1	174.8	0	0	0	0	0	112.9	L462 D463 F468 A469	L462-G466 PolarHBondContact O-N 2.86Å; D463-G466 PolarHBondContact O-N 2.87Å; G466-F468 PolarHBondContact O-N 3.31Å; G466-A469 VanDerWaalsContact O-CB 3.22Å; G466-A469 WeakPolarHBondContact O-CB 3.21Å; G466-A469 PolarHBondContact O-N 3.16Å
467	E	86.3	Confident	85.1	Confident	117 Å²	117	61.3 Å²	61.3	55%	0.547	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-53.8	-28.1	-179.6	70	-168	-139.4	0	0	114.2	L465 K507	L465-E467 PolarHBondContact O-N 2.98Å; E467-K507 IonicContact OE1-NZ 2.76Å; E467-K507 PolarHBondContact OE1-NZ 2.93Å; E467-K507 IonicContact OE2-NZ 3.59Å; E467-K507 PolarHBondContact OE2-NZ 2.84Å
468	F	87.9	Confident	85.1	Confident	8 Å²	8	61.3 Å²	61.3	4%	0.035	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-81	-13.9	178.8	-58.3	-68.3	0	0	0	113.6	L465 G466 T470 D471 M495 M503 A504 K507	L465-F468 HydrophobicContact CB-CB 4.39Å; L465-F468 WeakPolarHBondContact O-CD2 3.48Å; L465-F468 PolarHBondContact O-N 3.49Å; G466-F468 PolarHBondContact O-N 3.31Å; F468-T470 PolarHBondContact O-N 2.96Å; F468-D471 PolarHBondContact O-N 3.38Å; F468-M495 HydrophobicContact CB-CE 4.18Å; F468-M503 HydrophobicContact CE1-CB 3.92Å; F468-M503 HydrophobicContact CZ-CB 4.13Å; F468-A504 HydrophobicContact CB-CB 3.95Å; F468-A504 HydrophobicContact CD1-CB 3.9Å; F468-A504 HydrophobicContact CD2-CB 3.79Å; F468-A504 HydrophobicContact CE1-CB 4.34Å; F468-A504 HydrophobicContact CE2-CB 4.24Å; F468-A504 HydrophobicContact CG-CB 3.61Å; F468-A504 HydrophobicContact CZ-CB 4.49Å; F468-K507 HydrophobicContact CE2-CB 3.96Å; F468-K507 HydrophobicContact CE2-CD 3.79Å; F468-K507 HydrophobicContact CE2-CG 4.08Å; F468-K507 HydrophobicContact CZ-CB 4.27Å; F468-K507 HydrophobicContact CZ-CD 3.97Å
469	A	84.4	Confident	85	Confident	26 Å²	26	60 Å²	60	22%	0.215	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-60.4	-34.8	179.2	0	0	0	0	0	112.1	L462 G466 D471 I472	L462-A469 HydrophobicContact CB-CB 4.33Å; L462-A469 HydrophobicContact CD2-CB 4.06Å; G466-A469 VanDerWaalsContact O-CB 3.22Å; G466-A469 WeakPolarHBondContact O-CB 3.21Å; G466-A469 PolarHBondContact O-N 3.16Å; A469-D471 PolarHBondContact O-N 3.25Å; A469-I472 HydrophobicContact CB-CD1 4.39Å; A469-I472 WeakPolarHBondContact O-CB 3.35Å; A469-I472 WeakPolarHBondContact O-CG1 3.15Å; A469-I472 PolarHBondContact O-N 3.37Å
470	T	85	Confident	84.8	Confident	109 Å²	109	55.5 Å²	55.5	67%	0.669	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-61.7	-26.2	174.5	-46.4	0	0	0	0	112.9	F468 K496	F468-T470 PolarHBondContact O-N 2.96Å; T470-K496 PolarHBondContact O-NZ 3.36Å
471	D	86.5	Confident	84.3	Confident	30 Å²	30	58.8 Å²	58.8	16%	0.16	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-89.1	0.2	-179.6	-73.9	-48.2	0	0	0	113.7	F468 A469 M495 K496 R500	F468-D471 PolarHBondContact O-N 3.38Å; A469-D471 PolarHBondContact O-N 3.25Å; D471-M495 HydrophobicContact CB-CE 3.71Å; D471-M495 CarbonylContact O-C 3.53Å; D471-M495 WeakPolarHBondContact O-CA 3.46Å; D471-K496 WeakPolarHBondContact O-CB 3.31Å; D471-K496 WeakPolarHBondContact O-CG 3.3Å; D471-K496 PolarHBondContact O-N 3.38Å; D471-R500 HydrophobicContact CB-CB 4.14Å; D471-R500 HydrophobicContact CB-CG 4.11Å; D471-R500 WeakPolarHBondContact OD2-CD 3.36Å; D471-R500 IonicContact OD2-CZ 2.66Å; D471-R500 IonicContact OD2-NE 3.97Å; D471-R500 PolarHBondContact OD2-NE 2.67Å; D471-R500 IonicContact OD2-NH1 2.81Å; D471-R500 PolarHBondContact OD2-NH1 2.69Å
472	I	88	Confident	83.6	Confident	14 Å²	14	62.6 Å²	62.6	7%	0.072	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	145.6	175	-54.3	171.8	0	0	0	110	L462 L465 A469 V477 I493 M495 K496	L462-I472 HydrophobicContact CD2-CD1 3.62Å; L465-I472 HydrophobicContact CD1-CD1 3.78Å; L465-I472 HydrophobicContact CD1-CG1 4.5Å; A469-I472 HydrophobicContact CB-CD1 4.39Å; A469-I472 WeakPolarHBondContact O-CB 3.35Å; A469-I472 WeakPolarHBondContact O-CG1 3.15Å; A469-I472 PolarHBondContact O-N 3.37Å; I472-V477 HydrophobicContact CD1-CG2 4.38Å; I472-V477 HydrophobicContact CG2-CG2 4.03Å; I472-I493 HydrophobicContact CB-CG2 4.44Å; I472-I493 HydrophobicContact CD1-CG2 3.86Å; I472-I493 HydrophobicContact CG1-CG2 3.79Å; I472-I493 HydrophobicContact CG2-CG2 3.81Å; I472-M495 HydrophobicContact CG1-CE 4.45Å; I472-M495 HydrophobicContact CG1-SD 3.85Å; I472-K496 WeakPolarHBondContact O-CE 3.26Å; I472-K496 PolarHBondContact O-NZ 2.93Å
473	R	83.1	Confident	82.8	Confident	104 Å²	104	69.2 Å²	69.2	39%	0.392	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	154.3	172.8	-58.5	-165.3	-168.4	-162.6	3.7	111.7	D445 H475 G476 Q494 M495 K496	D445-R473 IonicContact OD2-CZ 3.22Å; D445-R473 IonicContact OD2-NE 2.7Å; D445-R473 IonicContact OD2-NH2 2.67Å; D445-R473 PolarHBondContact OD2-NH2 2.98Å; R473-H475 PolarHBondContact O-N 3.22Å; R473-G476 PolarHBondContact O-N 3.08Å; R473-Q494 HydrophobicContact CG-CG 4.18Å; R473-Q494 PolarHBondContact N-O 2.79Å; R473-M495 WeakPolarHBondContact CG-O 3.28Å; R473-M495 PolarHBondContact NE-O 3.14Å; R473-K496 HydrophobicContact CG-CG 4.15Å
474	T	72.8	Confident	81.9	Confident	133 Å²	133	70.3 Å²	70.3	82%	0.816	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57	125.5	173.6	46	0	0	0	0	110.7	G476	T474-G476 PolarHBondContact O-N 3.32Å
475	H	75.1	Confident	80.8	Confident	183 Å²	183	72.4 Å²	72.4	85%	0.847	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	60.9	12.8	-171.9	-52	-75	0	0	0	116	R473 V477 H478	R473-H475 PolarHBondContact O-N 3.22Å; H475-V477 PolarHBondContact O-N 3.22Å; H475-H478 PolarHBondContact O-NE2 3.39Å
476	G	79.6	Confident	80.3	Confident	2 Å²	2	80.1 Å²	80.1	2%	0.021	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	21.6	-175.8	0	0	0	0	0	116.2	R473 T474 H478 I493 Q494	R473-G476 PolarHBondContact O-N 3.08Å; T474-G476 PolarHBondContact O-N 3.32Å; G476-H478 VanDerWaalsContact C-CD2 3.49Å; G476-I493 CarbonylContact O-C 3.5Å; G476-I493 VanDerWaalsContact O-CA 3.25Å; G476-I493 WeakPolarHBondContact O-CA 3.39Å; G476-Q494 PolarHBondContact O-N 2.87Å
477	V	85.7	Confident	79.9	Confident	27 Å²	27	80.4 Å²	80.4	16%	0.164	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	119.7	176.9	-179.1	0	0	0	0	109.3	I458 I461 I472 H475 I493	I458-V477 HydrophobicContact CG2-CG1 4.37Å; I461-V477 HydrophobicContact CG2-CG1 4.41Å; I472-V477 HydrophobicContact CD1-CG2 4.38Å; I472-V477 HydrophobicContact CG2-CG2 4.03Å; H475-V477 PolarHBondContact O-N 3.22Å; V477-I493 HydrophobicContact CG1-CG1 4.36Å; V477-I493 HydrophobicContact CG2-CG1 4.37Å; V477-I493 HydrophobicContact CG2-CG2 4.38Å
478	H	86.1	Confident	79.6	Confident	65 Å²	65	76.7 Å²	76.7	30%	0.301	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	104.8	-170	-56.4	-100.2	0	0	0	110.3	H475 G476 A491 F492 M528 L532	H475-H478 PolarHBondContact O-NE2 3.39Å; G476-H478 VanDerWaalsContact C-CD2 3.49Å; H478-A491 CarbonylContact O-C 3.55Å; H478-A491 VanDerWaalsContact O-CA 3.31Å; H478-A491 WeakPolarHBondContact O-CA 3.36Å; H478-F492 HydrophobicContact CB-CB 4.49Å; H478-F492 PolarHBondContact N-O 3.28Å; H478-F492 PolarHBondContact O-N 3.42Å; H478-M528 HydrophobicContact CB-CE 4.35Å; H478-M528 WeakPolarHBondContact CD2-CE 3.32Å; H478-M528 WeakPolarHBondContact NE2-CE 3.45Å; H478-L532 HydrophobicContact CB-CD1 4.06Å; H478-L532 HydrophobicContact CB-CD2 4.2Å
479	M	84.4	Confident	79.2	Confident	51 Å²	51	76.5 Å²	76.5	25%	0.251	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	130	176.7	-63.4	-61.9	-78.4	0	0	110.6	L452 I461 L481 A491	L452-M479 HydrophobicContact CD1-CE 4.45Å; I461-M479 HydrophobicContact CD1-CE 4.09Å; I461-M479 HydrophobicContact CD1-SD 3.41Å; I461-M479 WeakPolarHBondContact CD1-SD 3.42Å; M479-L481 PolarHBondContact O-N 2.95Å; M479-A491 HydrophobicContact SD-CB 3.69Å
480	V	81.1	Confident	79.3	Confident	22 Å²	22	76.2 Å²	76.2	13%	0.133	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	119.9	175.4	-176	0	0	0	0	109	S488 D490 F492 L532	V480-S488 WeakPolarHBondContact O-CB 3.47Å; V480-S488 PolarHBondContact O-N 3.47Å; V480-D490 HydrophobicContact CB-CB 4.16Å; V480-D490 WeakPolarHBondContact CB-O 3.36Å; V480-D490 HydrophobicContact CG2-CB 4.06Å; V480-D490 PolarHBondContact N-O 2.92Å; V480-F492 HydrophobicContact CG2-CD2 3.79Å; V480-F492 HydrophobicContact CG2-CE2 3.73Å; V480-L532 HydrophobicContact CG2-CD2 4.49Å
481	L	78.5	Confident	79.6	Confident	101 Å²	101	71 Å²	71	53%	0.529	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	138.1	174.9	-55.6	-176.9	0	0	0	110.4	M479 R486 P487	M479-L481 PolarHBondContact O-N 2.95Å; L481-R486 CarbonylContact C-O 3.55Å; L481-R486 WeakPolarHBondContact CA-O 3.25Å; L481-P487 HydrophobicContact CD2-CB 4.33Å
482	N	73.9	Confident	79.8	Confident	80 Å²	80	69.7 Å²	69.7	43%	0.428	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-70.6	165.8	168.4	-71.1	-27.3	0	0	0	110.5	Q484 G485 R486 S488	N482-Q484 PolarHBondContact O-N 3.27Å; N482-G485 PolarHBondContact O-N 2.95Å; N482-R486 PolarHBondContact N-O 3.3Å; N482-S488 VanDerWaalsContact OD1-CB 3.3Å; N482-S488 WeakPolarHBondContact OD1-CB 3.43Å; N482-S488 PolarHBondContact OD1-OG 3.4Å
483	H	70.8	Confident	80	Confident	202 Å²	202	69 Å²	69	94%	0.935	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-10.1	-179.8	-51.3	159	0	0	0	115.3
484	Q	69.4	Low	80.3	Confident	153 Å²	153	66.1 Å²	66.1	72%	0.715	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	13.9	173.3	-63.2	-179.6	-11.7	0	0	113.3	N482 R486	N482-Q484 PolarHBondContact O-N 3.27Å; Q484-R486 PolarHBondContact O-N 2.97Å
485	G	65.3	Low	81.1	Confident	52 Å²	52	59.8 Å²	59.8	54%	0.536	31%	0.305	S	S	.	.	S	Bend	trans	71.8	3	-177.8	0	0	0	0	0	115.5	N482	N482-G485 PolarHBondContact O-N 2.95Å
486	R	74.9	Confident	81.6	Confident	167 Å²	167	57.1 Å²	57.1	63%	0.63	29%	0.29	S	S	*	.			trans	-89.9	142.6	-177.9	-63.3	-179.4	-179.6	-173.4	-0.6	111.4	L481 N482 Q484 S488	L481-R486 CarbonylContact C-O 3.55Å; L481-R486 WeakPolarHBondContact CA-O 3.25Å; N482-R486 PolarHBondContact N-O 3.3Å; Q484-R486 PolarHBondContact O-N 2.97Å; R486-S488 PolarHBondContact O-N 2.78Å
487	P	79.5	Confident	82	Confident	43 Å²	43	58.8 Å²	58.8	28%	0.279	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	133.3	178.2	25.2	-34.3	0	0	0	111.8	Y454 L481 G489	Y454-P487 WeakPolarHBondContact CD1-O 3.32Å; Y454-P487 VanDerWaalsContact O-CG 3.24Å; Y454-P487 WeakPolarHBondContact O-CG 3.39Å; L481-P487 HydrophobicContact CD2-CB 4.33Å; P487-G489 VanDerWaalsContact C-N 3.31Å
488	S	79.3	Confident	82.1	Confident	38 Å²	38	58.8 Å²	58.8	27%	0.266	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-15.6	-176.7	-153.9	0	0	0	0	113.2	V480 N482 R486	V480-S488 WeakPolarHBondContact O-CB 3.47Å; V480-S488 PolarHBondContact O-N 3.47Å; N482-S488 VanDerWaalsContact OD1-CB 3.3Å; N482-S488 WeakPolarHBondContact OD1-CB 3.43Å; N482-S488 PolarHBondContact OD1-OG 3.4Å; R486-S488 PolarHBondContact O-N 2.78Å
489	G	80.7	Confident	82.2	Confident	4 Å²	4	61.2 Å²	61.2	4%	0.041	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	87.8	8.4	-169.8	0	0	0	0	0	113.8	G451 L452 P487	G451-G489 PolarHBondContact N-O 2.92Å; L452-G489 WeakPolarHBondContact CB-O 3.45Å; L452-G489 PolarHBondContact N-O 3.17Å; L452-G489 WeakPolarHBondContact O-CA 3.42Å; P487-G489 VanDerWaalsContact C-N 3.31Å
490	D	86.7	Confident	82.4	Confident	21 Å²	21	63.7 Å²	63.7	11%	0.112	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	147.9	173.8	-86	35.9	0	0	0	109.9	R448 L449 R450 V480	R448-D490 IonicContact CZ-OD2 3.66Å; R448-D490 IonicContact NE-OD2 2.64Å; R448-D490 PolarHBondContact NE-OD2 3.11Å; R448-D490 IonicContact NH2-OD2 2.74Å; R448-D490 PolarHBondContact NH2-OD2 3.28Å; L449-D490 CarbonylContact O-C 3.48Å; L449-D490 VanDerWaalsContact O-CA 3.28Å; L449-D490 WeakPolarHBondContact O-CA 3.3Å; R450-D490 WeakPolarHBondContact CG-OD1 3.45Å; V480-D490 HydrophobicContact CB-CB 4.16Å; V480-D490 WeakPolarHBondContact CB-O 3.36Å; V480-D490 HydrophobicContact CG2-CB 4.06Å; V480-D490 PolarHBondContact N-O 2.92Å
491	A	90.1	Very high	82.8	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	158.9	173.1	0	0	0	0	0	111.2	R448 L449 L452 I461 H478 M479	R448-A491 CarbonylContact C-O 3.52Å; R448-A491 WeakPolarHBondContact CA-O 3.29Å; L449-A491 HydrophobicContact CB-CB 4.49Å; L449-A491 PolarHBondContact N-O 3.14Å; L449-A491 PolarHBondContact O-N 3.46Å; L452-A491 HydrophobicContact CD1-CB 3.49Å; L452-A491 VanDerWaalsContact CD1-CB 3.49Å; I461-A491 HydrophobicContact CD1-CB 4.49Å; H478-A491 CarbonylContact O-C 3.55Å; H478-A491 VanDerWaalsContact O-CA 3.31Å; H478-A491 WeakPolarHBondContact O-CA 3.36Å; M479-A491 HydrophobicContact SD-CB 3.69Å
492	F	91.2	Very high	83.3	Confident	1 Å²	1	62.6 Å²	62.6	0%	0.004	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	143.2	173.5	-67.9	-92.4	0	0	0	111.1	I447 R448 H478 V480 M528 V531	I447-F492 CarbonylContact O-C 3.59Å; I447-F492 WeakPolarHBondContact O-CA 3.34Å; R448-F492 HydrophobicContact CB-CD1 3.9Å; R448-F492 HydrophobicContact CB-CE1 3.67Å; R448-F492 HydrophobicContact CB-CZ 4.35Å; R448-F492 HydrophobicContact CG-CD1 4.16Å; R448-F492 HydrophobicContact CG-CE1 3.69Å; R448-F492 HydrophobicContact CG-CE2 4.44Å; R448-F492 HydrophobicContact CG-CZ 3.84Å; H478-F492 HydrophobicContact CB-CB 4.49Å; H478-F492 PolarHBondContact N-O 3.28Å; H478-F492 PolarHBondContact O-N 3.42Å; V480-F492 HydrophobicContact CG2-CD2 3.79Å; V480-F492 HydrophobicContact CG2-CE2 3.73Å; F492-M528 HydrophobicContact CB-CB 4.36Å; F492-M528 HydrophobicContact CB-CE 4.38Å; F492-M528 HydrophobicContact CB-CG 3.65Å; F492-M528 HydrophobicContact CB-SD 3.78Å; F492-M528 HydrophobicContact CD1-CB 3.67Å; F492-M528 HydrophobicContact CD1-CG 3.89Å; F492-M528 HydrophobicContact CE1-CB 4.16Å; F492-M528 HydrophobicContact CG-CB 4.1Å; F492-M528 HydrophobicContact CG-CG 3.78Å; F492-V531 HydrophobicContact CE2-CB 3.79Å; F492-V531 HydrophobicContact CE2-CG1 3.67Å; F492-V531 HydrophobicContact CE2-CG2 4.42Å; F492-V531 HydrophobicContact CZ-CB 3.75Å; F492-V531 HydrophobicContact CZ-CG1 3.96Å; F492-V531 HydrophobicContact CZ-CG2 3.9Å
493	I	92.2	Very high	84	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	120	-175.1	-57.7	179.8	0	0	0	109.2	C446 I447 L449 I461 L465 I472 G476 V477 M495	C446-I493 CarbonylContact C-O 3.49Å; C446-I493 VanDerWaalsContact CA-O 3.3Å; C446-I493 WeakPolarHBondContact CA-O 3.33Å; I447-I493 HydrophobicContact CB-CB 4.43Å; I447-I493 PolarHBondContact N-O 2.76Å; I447-I493 PolarHBondContact O-N 3.18Å; L449-I493 HydrophobicContact CD1-CD1 3.54Å; L449-I493 HydrophobicContact CG-CD1 3.99Å; I461-I493 HydrophobicContact CG2-CD1 3.46Å; I461-I493 VanDerWaalsContact CG2-CD1 3.46Å; L465-I493 HydrophobicContact CD1-CD1 3.6Å; L465-I493 HydrophobicContact CD1-CG2 4.37Å; I472-I493 HydrophobicContact CB-CG2 4.44Å; I472-I493 HydrophobicContact CD1-CG2 3.86Å; I472-I493 HydrophobicContact CG1-CG2 3.79Å; I472-I493 HydrophobicContact CG2-CG2 3.81Å; G476-I493 CarbonylContact O-C 3.5Å; G476-I493 VanDerWaalsContact O-CA 3.25Å; G476-I493 WeakPolarHBondContact O-CA 3.39Å; V477-I493 HydrophobicContact CG1-CG1 4.36Å; V477-I493 HydrophobicContact CG2-CG1 4.37Å; V477-I493 HydrophobicContact CG2-CG2 4.38Å; I493-M495 HydrophobicContact CG2-SD 3.97Å
494	Q	89.6	Confident	84.8	Confident	44 Å²	44	53.3 Å²	53.3	21%	0.206	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	119.6	177.7	-171.3	174.2	53	0	0	110.7	R473 G476	R473-Q494 HydrophobicContact CG-CG 4.18Å; R473-Q494 PolarHBondContact N-O 2.79Å; G476-Q494 PolarHBondContact O-N 2.87Å
495	M	88.9	Confident	85.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	167.8	179.8	-52.5	-63	-74.9	0	0	111.4	D445 I447 F468 D471 I472 R473 I493 S497 R500 A501 A504	D445-M495 WeakPolarHBondContact O-CA 3.5Å; D445-M495 VanDerWaalsContact O-CB 3.24Å; D445-M495 WeakPolarHBondContact O-CB 3.45Å; D445-M495 WeakPolarHBondContact O-CG 3.48Å; D445-M495 PolarHBondContact O-N 2.95Å; I447-M495 HydrophobicContact CD1-CE 4.34Å; I447-M495 HydrophobicContact CD1-CG 3.81Å; I447-M495 HydrophobicContact CD1-SD 3.73Å; I447-M495 HydrophobicContact CG1-CG 4.02Å; I447-M495 HydrophobicContact CG1-SD 4.48Å; F468-M495 HydrophobicContact CB-CE 4.18Å; D471-M495 HydrophobicContact CB-CE 3.71Å; D471-M495 CarbonylContact O-C 3.53Å; D471-M495 WeakPolarHBondContact O-CA 3.46Å; I472-M495 HydrophobicContact CG1-CE 4.45Å; I472-M495 HydrophobicContact CG1-SD 3.85Å; R473-M495 WeakPolarHBondContact CG-O 3.28Å; R473-M495 PolarHBondContact NE-O 3.14Å; I493-M495 HydrophobicContact CG2-SD 3.97Å; M495-S497 VanDerWaalsContact C-N 3.34Å; M495-R500 HydrophobicContact CE-CB 4.17Å; M495-A501 HydrophobicContact CB-CB 4.24Å; M495-A501 HydrophobicContact CG-CB 3.81Å; M495-A504 HydrophobicContact CE-CB 4.48Å
496	K	86.7	Confident	86.9	Confident	126 Å²	126	49.9 Å²	49.9	55%	0.548	24%	0.242	S	C	.	.	S	Bend	trans	-79.6	-13	172	-68.8	164.5	-175.6	154.8	0	113.4	T470 D471 I472 R473	T470-K496 PolarHBondContact O-NZ 3.36Å; D471-K496 WeakPolarHBondContact O-CB 3.31Å; D471-K496 WeakPolarHBondContact O-CG 3.3Å; D471-K496 PolarHBondContact O-N 3.38Å; I472-K496 WeakPolarHBondContact O-CE 3.26Å; I472-K496 PolarHBondContact O-NZ 2.93Å; R473-K496 HydrophobicContact CG-CG 4.15Å
497	S	87.1	Confident	87.5	Confident	38 Å²	38	47.9 Å²	47.9	27%	0.266	24%	0.238	S	C	.	.			trans	-154.8	146.6	179.7	158.1	0	0	0	0	111.8	M495 D499 R500 A501	M495-S497 VanDerWaalsContact C-N 3.34Å; S497-D499 VanDerWaalsContact C-N 3.34Å; S497-D499 PolarHBondContact OG-N 3.31Å; S497-D499 VanDerWaalsContact OG-N 3.1Å; S497-D499 PolarHBondContact OG-OD2 2.97Å; S497-R500 PolarHBondContact O-N 2.93Å; S497-A501 PolarHBondContact O-N 2.84Å
498	A	87.4	Confident	87.8	Confident	27 Å²	27	46 Å²	46	22%	0.223	23%	0.226	C	C	.	.	H	α-helix	trans	-65.1	-32.6	173.8	0	0	0	0	0	113.5	V443 D445 R500 A501 F502 Q522	V443-A498 HydrophobicContact CG1-CB 3.98Å; D445-A498 HydrophobicContact CB-CB 4.39Å; A498-R500 VanDerWaalsContact C-N 3.34Å; A498-A501 PolarHBondContact O-N 3.22Å; A498-F502 PolarHBondContact O-N 2.96Å; A498-Q522 PolarHBondContact O-NE2 2.81Å
499	D	87.8	Confident	88.3	Confident	116 Å²	116	47.2 Å²	47.2	62%	0.62	23%	0.227	S	C	*	.	H	α-helix	trans	-68.8	-38.1	177.2	-50.7	-58.5	0	0	0	110.8	S497 F502 M503	S497-D499 VanDerWaalsContact C-N 3.34Å; S497-D499 PolarHBondContact OG-N 3.31Å; S497-D499 VanDerWaalsContact OG-N 3.1Å; S497-D499 PolarHBondContact OG-OD2 2.97Å; D499-F502 PolarHBondContact O-N 2.77Å; D499-M503 HydrophobicContact CB-CE 4.27Å; D499-M503 WeakPolarHBondContact O-CB 3.34Å; D499-M503 WeakPolarHBondContact O-CE 3.47Å; D499-M503 WeakPolarHBondContact O-CG 3.44Å; D499-M503 PolarHBondContact O-N 2.86Å
500	R	89.6	Confident	88.4	Confident	102 Å²	102	53.3 Å²	53.3	39%	0.385	25%	0.253	S	S	.	.	H	α-helix	trans	-65.5	-41.4	172	-63.6	-59.7	-173.6	146.7	-11.5	111.2	D471 M495 S497 A498 A504	D471-R500 HydrophobicContact CB-CB 4.14Å; D471-R500 HydrophobicContact CB-CG 4.11Å; D471-R500 WeakPolarHBondContact OD2-CD 3.36Å; D471-R500 IonicContact OD2-CZ 2.66Å; D471-R500 IonicContact OD2-NE 3.97Å; D471-R500 PolarHBondContact OD2-NE 2.67Å; D471-R500 IonicContact OD2-NH1 2.81Å; D471-R500 PolarHBondContact OD2-NH1 2.69Å; M495-R500 HydrophobicContact CE-CB 4.17Å; S497-R500 PolarHBondContact O-N 2.93Å; A498-R500 VanDerWaalsContact C-N 3.34Å; R500-A504 WeakPolarHBondContact O-CB 3.32Å; R500-A504 PolarHBondContact O-N 3.47Å
501	A	89.1	Confident	88.4	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.9	-42.6	174	0	0	0	0	0	112.7	R444 I447 M495 S497 A498 A505 Q522	R444-A501 WeakPolarHBondContact O-CB 3.43Å; I447-A501 HydrophobicContact CD1-CB 4.5Å; I447-A501 HydrophobicContact CG1-CB 3.94Å; M495-A501 HydrophobicContact CB-CB 4.24Å; M495-A501 HydrophobicContact CG-CB 3.81Å; S497-A501 PolarHBondContact O-N 2.84Å; A498-A501 PolarHBondContact O-N 3.22Å; A501-A505 WeakPolarHBondContact O-CB 3.31Å; A501-A505 PolarHBondContact O-N 2.83Å; A501-Q522 HydrophobicContact CB-CG 4.21Å
502	F	89.4	Confident	88.1	Confident	100 Å²	100	61.7 Å²	61.7	44%	0.439	29%	0.293	S	S	.	.	H	α-helix	trans	-65.5	-48.4	175.9	-178.5	-101.2	0	0	0	112.3	A498 D499 A505 Q506	A498-F502 PolarHBondContact O-N 2.96Å; D499-F502 PolarHBondContact O-N 2.77Å; F502-A505 PolarHBondContact O-N 3.19Å; F502-Q506 HydrophobicContact CD1-CG 4.33Å; F502-Q506 HydrophobicContact CE1-CG 3.92Å; F502-Q506 HydrophobicContact CE2-CG 4.16Å; F502-Q506 HydrophobicContact CZ-CG 3.82Å; F502-Q506 WeakPolarHBondContact O-CG 3.3Å; F502-Q506 PolarHBondContact O-N 3.11Å
503	M	87.9	Confident	87.7	Confident	87 Å²	87	62 Å²	62	43%	0.429	30%	0.295	S	S	.	.	H	α-helix	trans	-63.9	-43.8	179.6	-75	-175.1	-77.2	0	0	112.4	F468 D499 A505 Q506 K507	F468-M503 HydrophobicContact CE1-CB 3.92Å; F468-M503 HydrophobicContact CZ-CB 4.13Å; D499-M503 HydrophobicContact CB-CE 4.27Å; D499-M503 WeakPolarHBondContact O-CB 3.34Å; D499-M503 WeakPolarHBondContact O-CE 3.47Å; D499-M503 WeakPolarHBondContact O-CG 3.44Å; D499-M503 PolarHBondContact O-N 2.86Å; M503-A505 VanDerWaalsContact C-N 3.32Å; M503-A505 PolarHBondContact O-N 3.43Å; M503-Q506 PolarHBondContact O-N 3.02Å; M503-K507 VanDerWaalsContact O-CB 3.29Å; M503-K507 WeakPolarHBondContact O-CB 3.24Å; M503-K507 PolarHBondContact O-N 2.94Å
504	A	88.6	Confident	87.2	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.5	-40.1	174.1	0	0	0	0	0	111.5	I447 F468 M495 R500 C508	I447-A504 HydrophobicContact CD1-CB 3.56Å; F468-A504 HydrophobicContact CB-CB 3.95Å; F468-A504 HydrophobicContact CD1-CB 3.9Å; F468-A504 HydrophobicContact CD2-CB 3.79Å; F468-A504 HydrophobicContact CE1-CB 4.34Å; F468-A504 HydrophobicContact CE2-CB 4.24Å; F468-A504 HydrophobicContact CG-CB 3.61Å; F468-A504 HydrophobicContact CZ-CB 4.49Å; M495-A504 HydrophobicContact CE-CB 4.48Å; R500-A504 WeakPolarHBondContact O-CB 3.32Å; R500-A504 PolarHBondContact O-N 3.47Å; A504-C508 VanDerWaalsContact O-CB 3.3Å; A504-C508 WeakPolarHBondContact O-CB 3.49Å; A504-C508 PolarHBondContact O-N 2.89Å
505	A	89.9	Confident	86.7	Confident	5 Å²	5	73.6 Å²	73.6	4%	0.041	35%	0.352	C	S	.	.	H	α-helix	trans	-61.1	-49.2	174.8	0	0	0	0	0	112.2	A501 F502 M503 H509 V520 Q522	A501-A505 WeakPolarHBondContact O-CB 3.31Å; A501-A505 PolarHBondContact O-N 2.83Å; F502-A505 PolarHBondContact O-N 3.19Å; M503-A505 VanDerWaalsContact C-N 3.32Å; M503-A505 PolarHBondContact O-N 3.43Å; A505-H509 WeakPolarHBondContact O-CB 3.5Å; A505-H509 PolarHBondContact O-N 3.33Å; A505-H509 VanDerWaalsContact O-N 3.1Å; A505-V520 HydrophobicContact CB-CG1 4.12Å; A505-Q522 HydrophobicContact CB-CB 4.22Å
506	Q	88.1	Confident	86.3	Confident	129 Å²	129	77.4 Å²	77.4	60%	0.603	37%	0.367	S	S	*	.	H	α-helix	trans	-65	-42.8	178.6	-64.9	-62.4	-27	0	0	112.8	F502 M503	F502-Q506 HydrophobicContact CD1-CG 4.33Å; F502-Q506 HydrophobicContact CE1-CG 3.92Å; F502-Q506 HydrophobicContact CE2-CG 4.16Å; F502-Q506 HydrophobicContact CZ-CG 3.82Å; F502-Q506 WeakPolarHBondContact O-CG 3.3Å; F502-Q506 PolarHBondContact O-N 3.11Å; M503-Q506 PolarHBondContact O-N 3.02Å
507	K	88.2	Confident	86.2	Confident	125 Å²	125	78.7 Å²	78.7	54%	0.543	37%	0.369	S	S	.	.	H	α-helix	trans	-79.5	-22.5	-173.8	-177.2	162.3	161.2	-176.6	0	114.1	E467 F468 M503	E467-K507 IonicContact OE1-NZ 2.76Å; E467-K507 PolarHBondContact OE1-NZ 2.93Å; E467-K507 IonicContact OE2-NZ 3.59Å; E467-K507 PolarHBondContact OE2-NZ 2.84Å; F468-K507 HydrophobicContact CE2-CB 3.96Å; F468-K507 HydrophobicContact CE2-CD 3.79Å; F468-K507 HydrophobicContact CE2-CG 4.08Å; F468-K507 HydrophobicContact CZ-CB 4.27Å; F468-K507 HydrophobicContact CZ-CD 3.97Å; M503-K507 VanDerWaalsContact O-CB 3.29Å; M503-K507 WeakPolarHBondContact O-CB 3.24Å; M503-K507 PolarHBondContact O-N 2.94Å
508	C	86.4	Confident	86.3	Confident	4 Å²	4	76.9 Å²	76.9	3%	0.027	36%	0.356	C	S	.	.	H	α-helix	trans	-106	-10.8	178.6	-65.7	0	0	0	0	114.5	F464 L465 A504 K510 K511 V520	F464-C508 HydrophobicContact CE1-CB 3.74Å; F464-C508 HydrophobicContact CZ-CB 3.98Å; F464-C508 WeakPolarHBondContact CZ-O 3.41Å; L465-C508 HydrophobicContact CD2-CB 4.42Å; A504-C508 VanDerWaalsContact O-CB 3.3Å; A504-C508 WeakPolarHBondContact O-CB 3.49Å; A504-C508 PolarHBondContact O-N 2.89Å; C508-K510 PolarHBondContact O-N 2.95Å; C508-K511 VanDerWaalsContact O-CB 3.28Å; C508-K511 WeakPolarHBondContact O-CB 3.36Å; C508-K511 PolarHBondContact O-N 2.86Å; C508-K511 VanDerWaalsContact O-N 3.13Å; C508-V520 HydrophobicContact CB-CG2 4.03Å; C508-V520 WeakPolarHBondContact O-CG2 3.21Å
509	H	88.2	Confident	86.4	Confident	62 Å²	62	77.5 Å²	77.5	29%	0.287	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	127.2	177.4	-176.6	96.6	0	0	0	112.1	A505 K511 V520	A505-H509 WeakPolarHBondContact O-CB 3.5Å; A505-H509 PolarHBondContact O-N 3.33Å; A505-H509 VanDerWaalsContact O-N 3.1Å; H509-K511 PolarHBondContact O-N 2.91Å; H509-V520 HydrophobicContact CB-CB 4.13Å; H509-V520 PolarHBondContact ND1-N 2.86Å; H509-V520 PolarHBondContact ND1-O 3.28Å
510	K	84	Confident	86.6	Confident	132 Å²	132	72.1 Å²	72.1	57%	0.574	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	13.6	-175.8	-66.9	165.1	-178.7	157.5	0	115.5	C508 V518	C508-K510 PolarHBondContact O-N 2.95Å; K510-V518 WeakPolarHBondContact CA-O 3.19Å; K510-V518 PolarHBondContact N-O 2.84Å
511	K	86.9	Confident	86.6	Confident	93 Å²	93	70 Å²	70	40%	0.404	32%	0.32	S	S	.	.			trans	-68	145.3	163.7	-177.4	-177.6	171.6	-172.5	0	109.2	F464 C508 H509 V518	F464-K511 HydrophobicContact CD2-CD 4.07Å; F464-K511 HydrophobicContact CD2-CG 4.31Å; F464-K511 HydrophobicContact CE2-CB 3.67Å; F464-K511 HydrophobicContact CE2-CD 3.81Å; F464-K511 HydrophobicContact CE2-CG 3.73Å; F464-K511 HydrophobicContact CZ-CB 3.96Å; F464-K511 HydrophobicContact CZ-CD 4.37Å; F464-K511 HydrophobicContact CZ-CG 4.43Å; F464-K511 PolarHBondContact O-NZ 2.95Å; C508-K511 VanDerWaalsContact O-CB 3.28Å; C508-K511 WeakPolarHBondContact O-CB 3.36Å; C508-K511 PolarHBondContact O-N 2.86Å; C508-K511 VanDerWaalsContact O-N 3.13Å; H509-K511 PolarHBondContact O-N 2.91Å; K511-V518 PolarHBondContact O-N 2.98Å
512	N	83.8	Confident	86.6	Confident	104 Å²	104	72.4 Å²	72.4	56%	0.556	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	139.3	175.2	-71.5	-0.6	0	0	0	111.7	R516 Y517	N512-R516 CarbonylContact C-O 3.56Å; N512-R516 WeakPolarHBondContact CA-O 3.4Å; N512-Y517 WeakPolarHBondContact OD1-CA 3.42Å; N512-Y517 WeakPolarHBondContact OD1-CB 3.18Å
513	M	82.5	Confident	86.5	Confident	9 Å²	9	68.1 Å²	68.1	4%	0.044	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	107.8	165.1	177.9	-172.5	-78.8	0	0	107	L452 P453 A456 D460 I461 F464 D515 R516 V518	L452-M513 HydrophobicContact CD2-CE 3.53Å; L452-M513 HydrophobicContact CD2-SD 3.56Å; L452-M513 VanDerWaalsContact CD2-SD 3.56Å; P453-M513 HydrophobicContact CG-CG 4.38Å; P453-M513 WeakPolarHBondContact CG-O 3.41Å; P453-M513 HydrophobicContact CG-SD 4.44Å; A456-M513 HydrophobicContact CB-SD 3.91Å; D460-M513 HydrophobicContact CB-CE 4.5Å; D460-M513 HydrophobicContact CB-SD 4.37Å; I461-M513 HydrophobicContact CG1-CE 3.94Å; F464-M513 HydrophobicContact CB-CE 3.4Å; F464-M513 VanDerWaalsContact CB-CE 3.4Å; F464-M513 HydrophobicContact CD1-CE 4.13Å; F464-M513 HydrophobicContact CD2-CB 3.9Å; F464-M513 HydrophobicContact CD2-CE 4.01Å; F464-M513 HydrophobicContact CE2-CB 4.26Å; F464-M513 HydrophobicContact CG-CE 3.6Å; M513-D515 PolarHBondContact O-N 3.43Å; M513-R516 PolarHBondContact N-O 2.82Å; M513-R516 PolarHBondContact O-N 2.8Å; M513-V518 HydrophobicContact CB-CG2 3.61Å
514	K	80.6	Confident	86.4	Confident	123 Å²	123	64.1 Å²	64.1	54%	0.535	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	-132.8	-169.1	-58	171.1	-177.9	171.6	0	108.3	P453 D460 R516	P453-K514 HydrophobicContact CG-CB 4.49Å; D460-K514 WeakPolarHBondContact OD1-CE 3.49Å; D460-K514 IonicContact OD1-NZ 2.85Å; D460-K514 PolarHBondContact OD1-NZ 2.82Å; D460-K514 IonicContact OD2-NZ 2.66Å; D460-K514 PolarHBondContact OD2-NZ 3.39Å; K514-R516 VanDerWaalsContact C-N 3.29Å; K514-R516 PolarHBondContact O-N 2.82Å
515	D	78.9	Confident	86.1	Confident	164 Å²	164	66 Å²	66	88%	0.877	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	9.2	-174.7	-49.7	-68.4	0	0	0	115.6	M513	M513-D515 PolarHBondContact O-N 3.43Å
516	R	80.5	Confident	85.5	Confident	80 Å²	80	72.2 Å²	72.2	30%	0.302	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	139.8	-179.6	-52.2	-139.3	-58.1	-165.1	4.4	112.6	G451 L452 P453 N512 M513 K514	G451-R516 VanDerWaalsContact C-NH2 3.33Å; G451-R516 PolarHBondContact O-NE 2.81Å; G451-R516 PolarHBondContact O-NH2 3.33Å; G451-R516 VanDerWaalsContact O-NH2 3.08Å; L452-R516 PolarHBondContact O-NH2 2.86Å; P453-R516 HydrophobicContact CG-CB 4.43Å; P453-R516 HydrophobicContact CG-CG 4.3Å; N512-R516 CarbonylContact C-O 3.56Å; N512-R516 WeakPolarHBondContact CA-O 3.4Å; M513-R516 PolarHBondContact N-O 2.82Å; M513-R516 PolarHBondContact O-N 2.8Å; K514-R516 VanDerWaalsContact C-N 3.29Å; K514-R516 PolarHBondContact O-N 2.82Å
517	Y	86.1	Confident	85	Confident	152 Å²	152	68.6 Å²	68.6	60%	0.596	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	139.5	164.1	61.9	-93.5	0	0	0	110	N512 E519	N512-Y517 WeakPolarHBondContact OD1-CA 3.42Å; N512-Y517 WeakPolarHBondContact OD1-CB 3.18Å; Y517-E519 HydrophobicContact CD2-CG 4.42Å; Y517-E519 HydrophobicContact CE2-CG 4.37Å
518	V	89.4	Confident	84.5	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.298	C	S	.	.			trans	-107	121.7	178.1	-177.5	0	0	0	0	108.9	L449 R450 L452 F464 K510 K511 M513 V520	L449-V518 HydrophobicContact CB-CG1 4.13Å; L449-V518 HydrophobicContact CD2-CG1 4.22Å; R450-V518 CarbonylContact O-C 3.54Å; R450-V518 WeakPolarHBondContact O-CA 3.47Å; R450-V518 WeakPolarHBondContact O-CG1 3.21Å; L452-V518 HydrophobicContact CD2-CG1 4Å; L452-V518 HydrophobicContact CD2-CG2 4.08Å; F464-V518 HydrophobicContact CE1-CB 4.36Å; F464-V518 HydrophobicContact CE1-CG1 4.23Å; F464-V518 HydrophobicContact CE2-CB 4.04Å; F464-V518 HydrophobicContact CE2-CG2 4.06Å; F464-V518 HydrophobicContact CZ-CB 3.66Å; F464-V518 HydrophobicContact CZ-CG1 4.02Å; F464-V518 HydrophobicContact CZ-CG2 4.13Å; K510-V518 WeakPolarHBondContact CA-O 3.19Å; K510-V518 PolarHBondContact N-O 2.84Å; K511-V518 PolarHBondContact O-N 2.98Å; M513-V518 HydrophobicContact CB-CG2 3.61Å; V518-V520 HydrophobicContact CG1-CG2 4.16Å
519	E	89.2	Confident	84	Confident	40 Å²	40	67.4 Å²	67.4	19%	0.187	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	128.7	169.3	-60.5	-170.7	119.7	0	0	108.9	R450 Y517 F521	R450-E519 HydrophobicContact CB-CB 4.29Å; R450-E519 PolarHBondContact N-O 2.79Å; R450-E519 PolarHBondContact O-N 3.29Å; Y517-E519 HydrophobicContact CD2-CG 4.42Å; Y517-E519 HydrophobicContact CE2-CG 4.37Å; E519-F521 HydrophobicContact CB-CD2 4.42Å; E519-F521 HydrophobicContact CB-CE2 3.48Å; E519-F521 VanDerWaalsContact CB-CE2 3.48Å; E519-F521 HydrophobicContact CB-CZ 3.79Å; E519-F521 HydrophobicContact CG-CZ 4.49Å
520	V	91.1	Very high	83.4	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.018	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.4	-177.6	-171.4	0	0	0	0	109.3	I447 R448 L449 F464 A505 C508 H509 V518	I447-V520 HydrophobicContact CG2-CG1 3.29Å; R448-V520 WeakPolarHBondContact O-CA 3.24Å; L449-V520 HydrophobicContact CD2-CB 4.24Å; L449-V520 HydrophobicContact CD2-CG1 3.8Å; L449-V520 HydrophobicContact CD2-CG2 3.63Å; F464-V520 HydrophobicContact CE1-CG2 4.07Å; F464-V520 HydrophobicContact CZ-CG2 4.19Å; A505-V520 HydrophobicContact CB-CG1 4.12Å; C508-V520 HydrophobicContact CB-CG2 4.03Å; C508-V520 WeakPolarHBondContact O-CG2 3.21Å; H509-V520 HydrophobicContact CB-CB 4.13Å; H509-V520 PolarHBondContact ND1-N 2.86Å; H509-V520 PolarHBondContact ND1-O 3.28Å; V518-V520 HydrophobicContact CG1-CG2 4.16Å
521	F	89.9	Confident	82.6	Confident	58 Å²	58	64.4 Å²	64.4	25%	0.254	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	137.6	-177	-55.7	-83.5	0	0	0	111.2	I447 R448 R450 E519	I447-F521 CarbonylContact C-O 3.54Å; I447-F521 WeakPolarHBondContact CA-O 3.19Å; R448-F521 PolarHBondContact N-O 3.46Å; R448-F521 PolarHBondContact O-N 2.8Å; R450-F521 HydrophobicContact CB-CE2 4.47Å; E519-F521 HydrophobicContact CB-CD2 4.42Å; E519-F521 HydrophobicContact CB-CE2 3.48Å; E519-F521 VanDerWaalsContact CB-CE2 3.48Å; E519-F521 HydrophobicContact CB-CZ 3.79Å; E519-F521 HydrophobicContact CG-CZ 4.49Å
522	Q	89.9	Confident	81.8	Confident	51 Å²	51	63.3 Å²	63.3	24%	0.238	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	137.2	171.8	-164.2	-162.5	11.7	0	0	110.2	R444 A498 A501 A505	R444-Q522 HydrophobicContact CB-CG 3.99Å; R444-Q522 WeakPolarHBondContact O-CG 3.41Å; R444-Q522 PolarHBondContact O-NE2 2.82Å; A498-Q522 PolarHBondContact O-NE2 2.81Å; A501-Q522 HydrophobicContact CB-CG 4.21Å; A505-Q522 HydrophobicContact CB-CB 4.22Å
523	C	86	Confident	80.9	Confident	9 Å²	9	65.8 Å²	65.8	6%	0.061	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	170	-179.3	60.9	0	0	0	0	111.8	R444 C446 E527	R444-C523 CarbonylContact C-O 3.59Å; R444-C523 VanDerWaalsContact CA-O 3.25Å; R444-C523 WeakPolarHBondContact CA-O 3.41Å; C446-C523 CarbonylContact C-O 3.51Å; C446-C523 WeakPolarHBondContact CA-O 3.45Å; C446-C523 WeakPolarHBondContact CB-O 3.33Å; C446-C523 VanDerWaalsContact CB-SG 3.56Å; C446-C523 PolarHBondContact N-O 2.84Å; C446-C523 PolarHBondContact O-N 2.65Å; C523-E527 WeakPolarHBondContact CA-OE2 3.41Å; C523-E527 HydrophobicContact CB-CB 4.16Å; C523-E527 VanDerWaalsContact CB-OE2 3.26Å; C523-E527 WeakPolarHBondContact CB-OE2 3.45Å
524	S	86.7	Confident	79.7	Confident	4 Å²	4	68.2 Å²	68.2	3%	0.028	34%	0.343	C	S	.	.			trans	-88.6	164.2	171.7	73.2	0	0	0	0	112.3	V443 E526 E527 M528	V443-S524 WeakPolarHBondContact O-CA 3.41Å; V443-S524 WeakPolarHBondContact O-CB 3.49Å; S524-E526 PolarHBondContact O-N 3.5Å; S524-E526 PolarHBondContact OG-N 2.83Å; S524-E527 PolarHBondContact N-OE2 3.1Å; S524-E527 PolarHBondContact O-N 2.7Å; S524-E527 WeakPolarHBondContact OG-CG 3.25Å; S524-E527 PolarHBondContact OG-N 2.83Å; S524-E527 VanDerWaalsContact OG-N 3.16Å; S524-M528 PolarHBondContact O-N 3.33Å; S524-M528 VanDerWaalsContact O-N 3.11Å
525	A	80.9	Confident	78.7	Confident	39 Å²	39	63.2 Å²	63.2	32%	0.322	33%	0.327	S	S	.	.	H	α-helix	trans	-61	-28.3	170.8	0	0	0	0	0	112.7	N529	A525-N529 WeakPolarHBondContact O-CB 3.36Å; A525-N529 PolarHBondContact O-N 3.33Å
526	E	78.2	Confident	77.3	Confident	136 Å²	136	61.6 Å²	61.6	64%	0.636	32%	0.323	S	S	*	.	H	α-helix	trans	-70.8	-47	175.8	-62.7	177.6	179.8	0	0	111.7	S524 M528 N529 F530	S524-E526 PolarHBondContact O-N 3.5Å; S524-E526 PolarHBondContact OG-N 2.83Å; E526-M528 VanDerWaalsContact C-N 3.26Å; E526-M528 PolarHBondContact O-N 2.94Å; E526-N529 PolarHBondContact O-N 2.82Å; E526-F530 WeakPolarHBondContact O-CB 3.39Å; E526-F530 PolarHBondContact O-N 3.08Å
527	E	77.3	Confident	75.9	Confident	52 Å²	52	61 Å²	61	24%	0.243	33%	0.325	C	S	.	.	H	α-helix	trans	-60.1	-38.3	176	-71.3	169.6	144.7	0	0	111.3	R444 C523 S524 L537	R444-E527 IonicContact CZ-OE1 3.17Å; R444-E527 IonicContact CZ-OE2 3.99Å; R444-E527 IonicContact NE-OE2 2.7Å; R444-E527 IonicContact NH2-OE1 2.83Å; R444-E527 PolarHBondContact NH2-OE1 2.72Å; R444-E527 IonicContact NH2-OE2 3.82Å; R444-E527 PolarHBondContact NH2-OE2 2.86Å; C523-E527 WeakPolarHBondContact CA-OE2 3.41Å; C523-E527 HydrophobicContact CB-CB 4.16Å; C523-E527 VanDerWaalsContact CB-OE2 3.26Å; C523-E527 WeakPolarHBondContact CB-OE2 3.45Å; S524-E527 PolarHBondContact N-OE2 3.1Å; S524-E527 PolarHBondContact O-N 2.7Å; S524-E527 WeakPolarHBondContact OG-CG 3.25Å; S524-E527 PolarHBondContact OG-N 2.83Å; S524-E527 VanDerWaalsContact OG-N 3.16Å; E527-L537 HydrophobicContact CB-CD1 4.28Å
528	M	78.4	Confident	74.2	Confident	13 Å²	13	61.1 Å²	61.1	6%	0.064	34%	0.336	C	S	.	.	H	α-helix	trans	-64.5	-51.8	172.6	164.8	178.2	160.7	0	0	112.4	C446 H478 F492 S524 E526 F530 V531 L532	C446-M528 HydrophobicContact CB-SD 4.24Å; H478-M528 HydrophobicContact CB-CE 4.35Å; H478-M528 WeakPolarHBondContact CD2-CE 3.32Å; H478-M528 WeakPolarHBondContact NE2-CE 3.45Å; F492-M528 HydrophobicContact CB-CB 4.36Å; F492-M528 HydrophobicContact CB-CE 4.38Å; F492-M528 HydrophobicContact CB-CG 3.65Å; F492-M528 HydrophobicContact CB-SD 3.78Å; F492-M528 HydrophobicContact CD1-CB 3.67Å; F492-M528 HydrophobicContact CD1-CG 3.89Å; F492-M528 HydrophobicContact CE1-CB 4.16Å; F492-M528 HydrophobicContact CG-CB 4.1Å; F492-M528 HydrophobicContact CG-CG 3.78Å; S524-M528 PolarHBondContact O-N 3.33Å; S524-M528 VanDerWaalsContact O-N 3.11Å; E526-M528 VanDerWaalsContact C-N 3.26Å; E526-M528 PolarHBondContact O-N 2.94Å; M528-F530 VanDerWaalsContact C-N 3.31Å; M528-F530 PolarHBondContact O-N 3.04Å; M528-V531 PolarHBondContact O-N 2.93Å; M528-L532 HydrophobicContact CE-CD1 3.89Å; M528-L532 HydrophobicContact CG-CD1 3.91Å; M528-L532 WeakPolarHBondContact O-CG 3.33Å; M528-L532 PolarHBondContact O-N 3.49Å; M528-L532 VanDerWaalsContact O-N 3.08Å
529	N	76.4	Confident	72.1	Confident	92 Å²	92	69.7 Å²	69.7	49%	0.492	37%	0.369	S	S	.	.	H	α-helix	trans	-62.6	-38.5	-178.3	-169.4	36.4	0	0	0	111.9	A525 E526 V531 L532 M533	A525-N529 WeakPolarHBondContact O-CB 3.36Å; A525-N529 PolarHBondContact O-N 3.33Å; E526-N529 PolarHBondContact O-N 2.82Å; N529-V531 VanDerWaalsContact C-N 3.3Å; N529-V531 PolarHBondContact O-N 3.37Å; N529-L532 PolarHBondContact O-N 2.93Å; N529-M533 WeakPolarHBondContact O-CG 3.43Å; N529-M533 PolarHBondContact O-N 2.93Å
530	F	74.1	Confident	69.9	Low	112 Å²	112	73.6 Å²	73.6	49%	0.491	39%	0.391	S	S	.	.	H	α-helix	trans	-56.8	-40.6	176	-177	-102.4	0	0	0	112.7	E526 M528 G535 L537	E526-F530 WeakPolarHBondContact O-CB 3.39Å; E526-F530 PolarHBondContact O-N 3.08Å; M528-F530 VanDerWaalsContact C-N 3.31Å; M528-F530 PolarHBondContact O-N 3.04Å; F530-G535 VanDerWaalsContact O-CA 3.29Å; F530-G535 WeakPolarHBondContact O-CA 3.28Å; F530-G535 PolarHBondContact O-N 2.92Å; F530-L537 HydrophobicContact CD1-CD2 3.81Å; F530-L537 HydrophobicContact CD1-CG 4.23Å; F530-L537 HydrophobicContact CE1-CD2 4.08Å
531	V	68.4	Low	67.8	Low	19 Å²	19	75.8 Å²	75.8	12%	0.115	41%	0.414	C	S	.	.	H	α-helix	trans	-76.1	-37.9	177.1	179	0	0	0	0	112.2	F492 M528 N529 M533 G534 G535 L537	F492-V531 HydrophobicContact CE2-CB 3.79Å; F492-V531 HydrophobicContact CE2-CG1 3.67Å; F492-V531 HydrophobicContact CE2-CG2 4.42Å; F492-V531 HydrophobicContact CZ-CB 3.75Å; F492-V531 HydrophobicContact CZ-CG1 3.96Å; F492-V531 HydrophobicContact CZ-CG2 3.9Å; M528-V531 PolarHBondContact O-N 2.93Å; N529-V531 VanDerWaalsContact C-N 3.3Å; N529-V531 PolarHBondContact O-N 3.37Å; V531-M533 PolarHBondContact O-N 3.24Å; V531-G534 PolarHBondContact O-N 2.94Å; V531-G535 WeakPolarHBondContact CA-O 3.45Å; V531-L537 HydrophobicContact CG2-CB 4.3Å; V531-L537 HydrophobicContact CG2-CD1 3.48Å; V531-L537 VanDerWaalsContact CG2-CD1 3.48Å; V531-L537 HydrophobicContact CG2-CG 3.54Å
532	L	68.8	Low	65.1	Low	70 Å²	70	79.7 Å²	79.7	37%	0.366	44%	0.437	S	S	.	.	H	α-helix	trans	-65.1	-25.3	176	-67	173.5	0	0	0	112.6	H478 V480 M528 N529 G534	H478-L532 HydrophobicContact CB-CD1 4.06Å; H478-L532 HydrophobicContact CB-CD2 4.2Å; V480-L532 HydrophobicContact CG2-CD2 4.49Å; M528-L532 HydrophobicContact CE-CD1 3.89Å; M528-L532 HydrophobicContact CG-CD1 3.91Å; M528-L532 WeakPolarHBondContact O-CG 3.33Å; M528-L532 PolarHBondContact O-N 3.49Å; M528-L532 VanDerWaalsContact O-N 3.08Å; N529-L532 PolarHBondContact O-N 2.93Å; L532-G534 VanDerWaalsContact C-N 3.32Å
533	M	66.6	Low	62.1	Low	155 Å²	155	82.5 Å²	82.5	76%	0.764	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	12.5	170.1	-63	-161.5	76.3	0	0	114.4	N529 V531	N529-M533 WeakPolarHBondContact O-CG 3.43Å; N529-M533 PolarHBondContact O-N 2.93Å; V531-M533 PolarHBondContact O-N 3.24Å
534	G	57.2	Low	59.5	Low	60 Å²	60	87.7 Å²	87.7	62%	0.619	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.5	6.9	173.9	0	0	0	0	0	115.9	V531 L532	V531-G534 PolarHBondContact O-N 2.94Å; L532-G534 VanDerWaalsContact C-N 3.32Å
535	G	58.8	Low	56.9	Low	18 Å²	18	93 Å²	93	19%	0.186	53%	0.53	C	S	.	.			trans	-72.2	150.8	172.7	0	0	0	0	0	113.1	F530 V531	F530-G535 VanDerWaalsContact O-CA 3.29Å; F530-G535 WeakPolarHBondContact O-CA 3.28Å; F530-G535 PolarHBondContact O-N 2.92Å; V531-G535 WeakPolarHBondContact CA-O 3.45Å
536	T	50.1	Low	54.7	Low	131 Å²	131	96.7 Å²	96.7	80%	0.804	55%	0.551	S	S	*	*			trans	-105.8	131.1	179	54	0	0	0	0	111.8
537	L	51	Low	52.4	Low	66 Å²	66	96.2 Å²	96.2	35%	0.346	56%	0.561	S	S	.	*			trans	-108	136.7	177.3	-69.5	-178.8	0	0	0	111.9	E527 F530 V531	E527-L537 HydrophobicContact CB-CD1 4.28Å; F530-L537 HydrophobicContact CD1-CD2 3.81Å; F530-L537 HydrophobicContact CD1-CG 4.23Å; F530-L537 HydrophobicContact CE1-CD2 4.08Å; V531-L537 HydrophobicContact CG2-CB 4.3Å; V531-L537 HydrophobicContact CG2-CD1 3.48Å; V531-L537 VanDerWaalsContact CG2-CD1 3.48Å; V531-L537 HydrophobicContact CG2-CG 3.54Å
538	N	50.2	Low	50.1	Low	155 Å²	155	103.8 Å²	103.8	83%	0.829	59%	0.593	S	S	*	*			trans	-66.1	152.6	178.6	-92.9	-32.8	0	0	0	113.2	N540	N538-N540 VanDerWaalsContact C-N 3.27Å; N538-N540 PolarHBondContact O-N 3.43Å
539	R	44.7	Very low	47.7	Very low	181 Å²	181	111.3 Å²	111.3	68%	0.683	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52	-29.9	-162	-168.8	179.8	177.4	172.4	-1.3	116.8
540	N	42.7	Very low	45.6	Very low	122 Å²	122	112.9 Å²	112.9	65%	0.652	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120	2.1	-163.7	-75.6	37.8	0	0	0	116.4	N538 L542	N538-N540 VanDerWaalsContact C-N 3.27Å; N538-N540 PolarHBondContact O-N 3.43Å; N540-L542 PolarHBondContact O-N 3.02Å
541	G	48.5	Very low	43.4	Very low	48 Å²	48	113.6 Å²	113.6	50%	0.495	67%	0.665	S	S	.	*	S	Bend	trans	63.3	8.7	166.6	0	0	0	0	0	119
542	L	32.4	Very low	41.5	Very low	141 Å²	141	121 Å²	121	74%	0.738	70%	0.703	S	S	*	*			trans	-145.7	150.2	174.3	-75.8	178.7	0	0	0	111.2	N540	N540-L542 PolarHBondContact O-N 3.02Å
543	S	27.3	Very low	39.6	Very low	109 Å²	109	123.1 Å²	123.1	76%	0.762	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-96.7	141.3	171.8	46.7	0	0	0	0	111.6
544	P	30.2	Very low	38	Very low	118 Å²	118	121.1 Å²	121.1	77%	0.766	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-88.2	142.4	166.3	33.3	-30.8	0	0	0	111.4
545	P	32.6	Very low	37	Very low	116 Å²	116	124.4 Å²	124.4	75%	0.753	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-75.3	165.5	172.4	32.6	-35.7	0	0	0	112.1
546	P	35	Very low	35.6	Very low	117 Å²	117	129.2 Å²	129.2	76%	0.76	76%	0.764	S	S	*	*	S	Bend	trans	-70.9	147.2	-176.9	28.5	-35.9	0	0	0	114.3
547	C	29.6	Very low	34.6	Very low	125 Å²	125	133.9 Å²	133.9	85%	0.845	77%	0.768	S	S	*	*			trans	59.1	122.4	154.2	-60.9	0	0	0	0	120.1
548	K	29.1	Very low	33.6	Very low	212 Å²	212	136.7 Å²	136.7	92%	0.922	79%	0.788	S	S	*	*			trans	-138	109.2	145.9	-81.4	-165.9	175.2	-177.1	0	111.7
549	L	28	Very low	32.6	Very low	170 Å²	170	138.2 Å²	138.2	89%	0.89	79%	0.788	S	S	*	*			trans	-126.5	149.7	141.6	-83.3	176.3	0	0	0	107.1
550	P	32	Very low	32.1	Very low	126 Å²	126	135.3 Å²	135.3	82%	0.818	79%	0.792	S	S	*	*			trans	-81	141.8	-168.7	32	-34.8	0	0	0	112.4
551	C	28.7	Very low	31.5	Very low	127 Å²	127	134 Å²	134	86%	0.858	80%	0.799	S	S	*	*			trans	-138.8	143.7	158.9	-161.2	0	0	0	0	109
552	L	28.7	Very low	30.8	Very low	174 Å²	174	137.7 Å²	137.7	91%	0.911	81%	0.814	S	S	*	*			trans	-89.8	139.7	-179.8	-69.6	160.2	0	0	0	109.6
553	S	27.4	Very low	30.6	Very low	114 Å²	114	135.5 Å²	135.5	80%	0.797	82%	0.816	S	S	*	*			trans	-114.2	134.8	179.4	49.7	0	0	0	0	112.7
554	P	33.2	Very low	30.7	Very low	113 Å²	113	135.3 Å²	135.3	73%	0.734	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-80	161.3	152.2	-9.4	28	0	0	0	110.9
555	P	36.1	Very low	30.7	Very low	130 Å²	130	136.1 Å²	136.1	84%	0.844	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-85.2	146.7	-174.6	33.4	-35.2	0	0	0	114
556	S	29.8	Very low	30.6	Very low	119 Å²	119	137.6 Å²	137.6	83%	0.832	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-91.6	138.8	173.6	-55.6	0	0	0	0	112.1
557	Y	29.1	Very low	30.3	Very low	229 Å²	229	137.7 Å²	137.7	90%	0.898	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-81.8	154.5	166.4	-100	-101.7	0	0	0	111.7
558	T	29.8	Very low	30.2	Very low	125 Å²	125	137.9 Å²	137.9	77%	0.767	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-103	135.3	-177.7	-45	0	0	0	0	111.9
559	F	28.6	Very low	30.3	Very low	186 Å²	186	136.9 Å²	136.9	82%	0.816	82%	0.82	S	S	*	*			trans	-141.2	150.4	160.9	-85.1	-78.9	0	0	0	110.9
560	P	34.3	Very low	30.4	Very low	120 Å²	120	133 Å²	133	78%	0.779	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-89.7	167.7	-173.5	36.6	-35.7	0	0	0	113.7
561	A	30.4	Very low	30.1	Very low	95 Å²	95	131.2 Å²	131.2	79%	0.785	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-82.1	147.4	-178.2	0	0	0	0	0	113.8
562	P	33.8	Very low	30.1	Very low	126 Å²	126	132.6 Å²	132.6	82%	0.818	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-87.3	153.7	169.9	35.3	-33.7	0	0	0	112.5
563	A	28.5	Very low	30.1	Very low	95 Å²	95	135 Å²	135	79%	0.785	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-88.5	153.3	170.8	0	0	0	0	0	111.8
564	A	29.9	Very low	30.1	Very low	104 Å²	104	136.8 Å²	136.8	86%	0.86	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-84.2	140.3	175.3	0	0	0	0	0	111.8
565	V	29.3	Very low	30.3	Very low	136 Å²	136	137.7 Å²	137.7	82%	0.824	81%	0.806	S	S	*	*			trans	-120.5	138.6	175.6	179.4	0	0	0	0	108.7
566	I	30.9	Very low	30	Very low	147 Å²	147	135.2 Å²	135.2	75%	0.754	79%	0.792	S	S	*	*			trans	-113.2	128.5	-179.6	-57.3	172.3	0	0	0	109
567	P	28.7	Very low	29.9	Very low	119 Å²	119	136.2 Å²	136.2	77%	0.773	79%	0.792	S	S	*	*			trans	-88.3	161	169.2	35.2	-32.7	0	0	0	112.4
568	T	27.8	Very low	30	Very low	129 Å²	129	132 Å²	132	79%	0.791	78%	0.784	S	S	*	*			trans	-133	176	-169	-43.9	0	0	0	0	111.2
569	E	31.5	Very low	29.8	Very low	190 Å²	190	134 Å²	134	89%	0.888	79%	0.789	S	S	*	*			trans	89.1	141.4	180	-57.3	-162.5	124	0	0	115
570	A	29	Very low	29.8	Very low	89 Å²	89	132 Å²	132	74%	0.736	79%	0.787	S	S	*	*			cis	-168.3	166.1	-10.2	0	0	0	0	0	107.8
571	A	27.6	Very low	30	Very low	89 Å²	89	131.8 Å²	131.8	74%	0.736	79%	0.785	S	S	*	*			cis	-167.6	-160.4	-20.9	0	0	0	0	0	105.1
572	I	27.9	Very low	29.8	Very low	155 Å²	155	139.1 Å²	139.1	80%	0.795	79%	0.793	S	S	*	*			cis	-153	140.7	4.7	-43.6	160.2	0	0	0	106.4
573	Y	28.7	Very low	29.6	Very low	226 Å²	226	137.7 Å²	137.7	89%	0.886	79%	0.792	S	S	*	*			trans	170.6	138.8	136.6	-111.5	-82.5	0	0	0	112.9
574	Q	28	Very low	29.5	Very low	151 Å²	151	141.6 Å²	141.6	71%	0.706	80%	0.798	S	S	*	*			trans	-153	158.9	163.1	-112	-165.8	13	0	0	108.5
575	P	36.9	Very low	29.5	Very low	132 Å²	132	145.5 Å²	145.5	86%	0.857	80%	0.799	S	S	*	*				-123	174.5	92.1	-1.7	23.6	0	0	0	114.6
576	S	28.9	Very low	29.6	Very low	77 Å²	77	144.6 Å²	144.6	54%	0.538	80%	0.796	S	S	.	*			trans	-125	147.9	-165.9	60	0	0	0	0	114.5
577	V	28.1	Very low	29.3	Very low	140 Å²	140	143.1 Å²	143.1	85%	0.848	80%	0.798	S	S	*	*			trans	-139.7	87.5	155.8	-168.5	0	0	0	0	112.1
578	I	31.8	Very low	29.2	Very low	142 Å²	142	143.3 Å²	143.3	73%	0.728	80%	0.798	S	S	*	*				49.1	140.7	127.8	-63	172.1	0	0	0	121.5
579	L	25.4	Very low	29.1	Very low	165 Å²	165	142 Å²	142	86%	0.864	80%	0.8	S	S	*	*			trans	91.6	139.9	160.4	-90.8	163.3	0	0	0	119.7
580	N	28.6	Very low	28.8	Very low	144 Å²	144	142.7 Å²	142.7	77%	0.77	80%	0.796	S	S	*	*			trans	-127.9	178.9	-176.4	-144.2	2.2	0	0	0	108.6
581	P	38.3	Very low	28.6	Very low	116 Å²	116	149.2 Å²	149.2	75%	0.753	80%	0.803	S	S	*	*				-104.1	167.5	-118.1	36.8	-23.3	0	0	0	114.5
582	R	26.5	Very low	28.6	Very low	250 Å²	250	150.5 Å²	150.5	94%	0.943	80%	0.803	S	S	*	*			trans	-138.7	131	168.2	-155.8	174.6	-167.7	170.9	3.8	110
583	A	30.3	Very low	28.8	Very low	96 Å²	96	148.4 Å²	148.4	79%	0.793	81%	0.81	S	S	*	*			trans	-84.3	147.5	-176.6	0	0	0	0	0	112.6
584	L	25.3	Very low	28.7	Very low	176 Å²	176	141 Å²	141	92%	0.921	80%	0.801	S	S	*	*			trans	-139	149.1	168.4	-83.7	170	0	0	0	109.5
585	Q	31.1	Very low	29	Very low	186 Å²	186	140 Å²	140	87%	0.869	81%	0.806	S	S	*	*			trans	-98.6	157.5	-178.6	-68.4	-175.7	-18.3	0	0	112.5
586	P	29.4	Very low	28.5	Very low	118 Å²	118	142 Å²	142	77%	0.766	80%	0.804	S	S	*	*			trans	-89.4	122.9	162.7	7.6	11.6	0	0	0	112.4
587	S	25.8	Very low	28.3	Very low	115 Å²	115	145.4 Å²	145.4	80%	0.804	82%	0.815	S	S	*	*			trans	-4.5	133.2	153.9	53.9	0	0	0	0	121.1
588	T	26.5	Very low	28.2	Very low	124 Å²	124	148.4 Å²	148.4	76%	0.761	82%	0.817	S	S	*	*			trans	-69.4	149.4	162.5	-40.9	0	0	0	0	113.1	Y590	T588-Y590 HydrophobicContact CG2-CD2 4.18Å
589	A	25.1	Very low	27.8	Very low	100 Å²	100	149.4 Å²	149.4	83%	0.826	82%	0.821	S	S	*	*			trans	-127.2	148.9	158.7	0	0	0	0	0	109.9
590	Y	25.7	Very low	27.7	Very low	206 Å²	206	148.3 Å²	148.3	81%	0.808	82%	0.816	S	S	*	*			trans	-129.6	126.1	-165.2	-129.1	-85.1	0	0	0	111.2	T588	T588-Y590 HydrophobicContact CG2-CD2 4.18Å
591	Y	25.6	Very low	27.6	Very low	226 Å²	226	151.6 Å²	151.6	89%	0.886	82%	0.819	S	S	*	*			trans	-143.8	153.6	161.7	-94.4	-83.8	0	0	0	109.7
592	P	26.2	Very low	27	Very low	115 Å²	115	151.3 Å²	151.3	75%	0.747	82%	0.815	S	S	*	*			trans	-91.8	170.4	-161.4	36.9	-35.3	0	0	0	114.2
593	A	33.3	Very low	27	Very low	112 Å²	112	144 Å²	144	93%	0.926	81%	0.809	S	S	*	*			trans	-66.9	136.3	-180	0	0	0	0	0	113.2
594	G	27	Very low	26.9	Very low	69 Å²	69	149.5 Å²	149.5	71%	0.711	81%	0.81	S	S	*	*			trans	-147.5	132.2	171.4	0	0	0	0	0	110.3
595	T	33.6	Very low	27.1	Very low	132 Å²	132	151.8 Å²	151.8	81%	0.81	81%	0.808	S	S	*	*			trans	-61.1	133	-170.8	-41.8	0	0	0	0	112.8
596	Q	25.5	Very low	27.1	Very low	173 Å²	173	148.2 Å²	148.2	81%	0.808	80%	0.801	S	S	*	*			trans	-124	132.2	166.9	-82.8	-65.8	-12	0	0	110.8
597	L	25.8	Very low	27.1	Very low	149 Å²	149	148.1 Å²	148.1	78%	0.78	80%	0.803	S	S	*	*			trans	-97.7	115	-173.1	-72.5	161	0	0	0	110.1	M599	L597-M599 PolarHBondContact O-N 3.38Å; L597-M599 VanDerWaalsContact O-N 3.16Å
598	F	24.9	Very low	27.5	Very low	202 Å²	202	148.1 Å²	148.1	89%	0.886	80%	0.8	S	S	*	*			trans	-77.4	98.8	167.8	-90.5	-84.7	0	0	0	110.5	N600	F598-N600 PolarHBondContact O-N 3.1Å
599	M	23.3	Very low	27.9	Very low	163 Å²	163	148.4 Å²	148.4	80%	0.803	80%	0.804	S	S	*	*			trans	-69.2	111.6	168	-93.9	-72.8	-171.5	0	0	110.5	L597	L597-M599 PolarHBondContact O-N 3.38Å; L597-M599 VanDerWaalsContact O-N 3.16Å
600	N	24	Very low	28.3	Very low	143 Å²	143	147.3 Å²	147.3	77%	0.765	80%	0.803	S	S	*	*			trans	-80.5	115.6	169.8	-87.7	-47.4	0	0	0	110.5	F598	F598-N600 PolarHBondContact O-N 3.1Å
601	Y	25.8	Very low	28.4	Very low	212 Å²	212	143 Å²	143	83%	0.831	80%	0.803	S	S	*	*			trans	-101.9	85.2	167	-100.6	-82.8	0	0	0	111
602	T	26	Very low	28.6	Very low	110 Å²	110	138.3 Å²	138.3	68%	0.675	80%	0.8	S	S	*	*			trans	-109.2	84.7	167.6	52.9	0	0	0	0	109.9	Y604	T602-Y604 PolarHBondContact O-N 3.39Å
603	A	26.2	Very low	28.7	Very low	97 Å²	97	140.5 Å²	140.5	80%	0.802	81%	0.806	S	S	*	*			trans	-76.8	101.6	175	0	0	0	0	0	110.6
604	Y	29.4	Very low	28.5	Very low	211 Å²	211	140.6 Å²	140.6	83%	0.827	80%	0.8	S	S	*	*			trans	-78.2	125.8	170.1	-102.7	-99	0	0	0	110.6	T602	T602-Y604 PolarHBondContact O-N 3.39Å
605	Y	29.8	Very low	28.6	Very low	224 Å²	224	146.1 Å²	146.1	88%	0.878	81%	0.812	S	S	*	*			trans	-158.6	165.9	157.8	-96.9	-50.2	0	0	0	109.8
606	P	29.4	Very low	28.2	Very low	112 Å²	112	142.9 Å²	142.9	73%	0.727	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-103.8	153.3	-139.8	5.7	17.6	0	0	0	114
607	S	30.8	Very low	28.2	Very low	116 Å²	116	145.3 Å²	145.3	81%	0.811	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-67.9	134.5	168.3	-52.6	0	0	0	0	111.4
608	P	33.8	Very low	28.2	Very low	114 Å²	114	147.6 Å²	147.6	74%	0.74	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-61.8	152.3	167.2	-22.4	34	0	0	0	112.3
609	P	35.5	Very low	28.6	Very low	130 Å²	130	143.5 Å²	143.5	84%	0.844	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-66.2	148.7	174.2	28.7	-34.5	0	0	0	111.8
610	G	33.4	Very low	28.7	Very low	78 Å²	78	142.6 Å²	142.6	80%	0.804	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-79.4	150.2	-169.6	0	0	0	0	0	115.5
611	S	27	Very low	29.1	Very low	115 Å²	115	140.5 Å²	140.5	80%	0.804	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-77.2	144.8	171.5	-40.8	0	0	0	0	112.1
612	P	29.6	Very low	29.1	Very low	127 Å²	127	135.1 Å²	135.1	83%	0.825	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-74.7	157.9	175.4	31.1	-35.1	0	0	0	113
613	N	29.4	Very low	29.2	Very low	162 Å²	162	137.8 Å²	137.8	87%	0.866	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-82.8	127.4	179.4	-73.5	-50.3	0	0	0	112.7
614	S	29.1	Very low	29.2	Very low	114 Å²	114	141.5 Å²	141.5	80%	0.797	83%	0.827	S	S	*	*			trans	39.7	103.9	144.4	-178.8	0	0	0	0	119.3
615	L	27.3	Very low	29.3	Very low	184 Å²	184	136.7 Å²	136.7	96%	0.963	83%	0.825	S	S	*	*			trans	-127.5	141.3	138.9	-90.4	169	0	0	0	108.1
616	G	25.6	Very low	29.5	Very low	64 Å²	64	129.7 Å²	129.7	66%	0.66	82%	0.821	S	S	*	*			trans	-143.6	143.1	-178.9	0	0	0	0	0	111.8
617	Y	25.1	Very low	29.5	Very low	224 Å²	224	130.8 Å²	130.8	88%	0.878	83%	0.825	S	S	*	*			trans	-155.4	131.3	165.8	-119	-82.1	0	0	0	109.2
618	F	27.1	Very low	29.5	Very low	197 Å²	197	130.4 Å²	130.4	86%	0.864	82%	0.82	S	S	*	*			trans	-116.5	150.8	154.8	-86.5	-75.5	0	0	0	106.6
619	P	32.5	Very low	29.5	Very low	116 Å²	116	131 Å²	131	75%	0.753	82%	0.824	S	S	*	*				-135.4	-179.2	108.5	36.3	-25	0	0	0	113.9
620	T	25.6	Very low	29.4	Very low	144 Å²	144	133.6 Å²	133.6	88%	0.883	82%	0.824	S	S	*	*			trans	-74.8	161.6	-165.5	-36	0	0	0	0	114.6
621	A	31.7	Very low	29.7	Very low	100 Å²	100	136.1 Å²	136.1	83%	0.826	83%	0.827	S	S	*	*			trans	-69.7	151.6	-176	0	0	0	0	0	115.6
622	A	26.6	Very low	31.1	Very low	99 Å²	99	133.4 Å²	133.4	82%	0.818	82%	0.817	S	S	*	*			trans	-149.5	150.6	158.1	0	0	0	0	0	109.5
623	N	29.1	Very low	32.3	Very low	166 Å²	166	133.1 Å²	133.1	89%	0.888	81%	0.813	S	S	*	*			trans	-70.8	138.9	179.7	-71.2	-27.5	0	0	0	112.2
624	L	25.7	Very low	33.8	Very low	174 Å²	174	129.8 Å²	129.8	91%	0.911	80%	0.798	S	S	*	*			trans	-162.7	159.6	142.8	-109.3	167.2	0	0	0	110.5
625	S	30.2	Very low	35.5	Very low	111 Å²	111	127 Å²	127	78%	0.776	78%	0.776	S	S	*	*			trans	-114.8	142.5	-160.4	55.5	0	0	0	0	114.9
626	G	34.6	Very low	37.5	Very low	77 Å²	77	125.5 Å²	125.5	79%	0.794	76%	0.758	S	S	*	*			trans	100.3	82.3	141.2	0	0	0	0	0	118.6
627	V	29.5	Very low	39.4	Very low	135 Å²	135	124 Å²	124	82%	0.818	73%	0.734	S	S	*	*			trans	-141.5	137.9	153.5	-173.2	0	0	0	0	108.2
628	P	31.2	Very low	41.5	Very low	107 Å²	107	119.4 Å²	119.4	70%	0.695	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-72.6	154.4	174.6	-14.1	29.6	0	0	0	112.5
629	P	32.8	Very low	43.3	Very low	128 Å²	128	112.8 Å²	112.8	83%	0.831	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-68.4	137.6	171.8	29.9	-34.1	0	0	0	111
630	Q	34.8	Very low	44.9	Very low	183 Å²	183	109 Å²	109	86%	0.855	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-96.9	148.7	166.3	-69.7	-161.3	-6.3	0	0	110.7
631	P	39.4	Very low	46.9	Very low	131 Å²	131	104.6 Å²	104.6	85%	0.851	66%	0.659	S	S	*	*	S	Bend	trans	-79.1	148	173.9	33.5	-34.4	0	0	0	111.6
632	G	55.3	Low	48.2	Very low	58 Å²	58	107.3 Å²	107.3	60%	0.598	65%	0.649	S	S	*	*			trans	110.3	126.4	178.9	0	0	0	0	0	112.7
633	T	55.7	Low	50.2	Low	122 Å²	122	109 Å²	109	75%	0.748	64%	0.644	S	S	*	*			trans	-117.9	87	-179.7	-60.1	0	0	0	0	108.9	V635	T633-V635 WeakPolarHBondContact O-CG2 3.3Å; T633-V635 PolarHBondContact O-N 2.79Å
634	V	61.9	Low	52	Low	92 Å²	92	102.2 Å²	102.2	56%	0.558	61%	0.608	S	S	*	*			trans	-62	119.7	-176	-177	0	0	0	0	111.2	V679 C680	V634-V679 HydrophobicContact CG1-CG1 3.46Å; V634-V679 VanDerWaalsContact CG1-CG1 3.46Å; V634-C680 CarbonylContact C-O 3.56Å; V634-C680 WeakPolarHBondContact CA-O 3.22Å
635	V	63.4	Low	54	Low	54 Å²	54	95.4 Å²	95.4	33%	0.327	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.8	115.7	177.8	-174.8	0	0	0	0	110.4	T633 M637 F653 C680	T633-V635 WeakPolarHBondContact O-CG2 3.3Å; T633-V635 PolarHBondContact O-N 2.79Å; V635-M637 HydrophobicContact CG1-CG 4.35Å; V635-F653 HydrophobicContact CB-CE1 4.33Å; V635-F653 HydrophobicContact CB-CZ 4.12Å; V635-F653 HydrophobicContact CG1-CE1 4.15Å; V635-F653 HydrophobicContact CG1-CZ 3.87Å; V635-F653 HydrophobicContact CG2-CE1 4.24Å; V635-C680 PolarHBondContact N-O 3.06Å; V635-C680 PolarHBondContact O-N 2.9Å
636	R	69.1	Low	55.9	Low	154 Å²	154	93.1 Å²	93.1	58%	0.581	56%	0.562	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.7	119.3	174.1	-173.5	179.9	-175.9	175.2	0.8	110.4	Q638 E677	R636-Q638 HydrophobicContact CG-CG 4.39Å; R636-E677 IonicContact CZ-OE1 2.65Å; R636-E677 IonicContact CZ-OE2 3.96Å; R636-E677 IonicContact NE-OE1 2.68Å; R636-E677 PolarHBondContact NE-OE1 3.2Å; R636-E677 IonicContact NE-OE2 3.56Å; R636-E677 PolarHBondContact NE-OE2 2.86Å; R636-E677 IonicContact NH2-OE1 3.8Å; R636-E677 PolarHBondContact NH2-OE1 3.45Å; R636-E677 IonicContact NH2-OE2 3.8Å; R636-E677 PolarHBondContact NH2-OE2 3.39Å
637	M	66.6	Low	57.4	Low	32 Å²	32	97.5 Å²	97.5	16%	0.158	56%	0.559	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.5	124.9	176.2	-59.2	-174	86.5	0	0	110.2	V635 L640 I649 F652 F653 E677 W678	V635-M637 HydrophobicContact CG1-CG 4.35Å; M637-L640 HydrophobicContact CB-CD1 3.85Å; M637-L640 HydrophobicContact CB-CG 4.41Å; M637-I649 HydrophobicContact SD-CG2 3.86Å; M637-F652 HydrophobicContact CE-CD1 3.65Å; M637-F652 HydrophobicContact CE-CD2 4.39Å; M637-F652 HydrophobicContact CE-CE1 3.86Å; M637-F652 HydrophobicContact CE-CG 3.94Å; M637-F652 HydrophobicContact CE-CZ 4.32Å; M637-F652 HydrophobicContact SD-CD1 4.41Å; M637-F653 HydrophobicContact SD-CE2 3.88Å; M637-F653 HydrophobicContact SD-CZ 3.99Å; M637-E677 WeakPolarHBondContact O-CA 3.46Å; M637-W678 PolarHBondContact N-O 2.93Å; M637-W678 PolarHBondContact O-N 3.26Å; M637-W678 VanDerWaalsContact O-N 3.16Å
638	Q	69.3	Low	59.3	Low	128 Å²	128	96.4 Å²	96.4	60%	0.598	55%	0.545	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	153.4	179.9	-64.7	-174.6	-42.8	0	0	110.8	R636 L640 E677	R636-Q638 HydrophobicContact CG-CG 4.39Å; Q638-L640 VanDerWaalsContact C-N 3.35Å; Q638-E677 HydrophobicContact CG-CG 4.34Å; Q638-E677 WeakPolarHBondContact CG-OE1 3.09Å; Q638-E677 PolarHBondContact NE2-OE1 2.91Å
639	G	63.7	Low	61.2	Low	57 Å²	57	91.5 Å²	91.5	59%	0.588	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	79.3	13.4	174.6	0	0	0	0	0	115
640	L	67.5	Low	62.9	Low	38 Å²	38	88.1 Å²	88.1	20%	0.199	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	149.1	175.5	-65.9	173.7	0	0	0	111	M637 Q638 T644 I649	M637-L640 HydrophobicContact CB-CD1 3.85Å; M637-L640 HydrophobicContact CB-CG 4.41Å; Q638-L640 VanDerWaalsContact C-N 3.35Å; L640-T644 HydrophobicContact CD2-CG2 4.44Å; L640-I649 HydrophobicContact CD1-CD1 4.01Å; L640-I649 HydrophobicContact CD1-CG1 4.19Å
641	A	66.6	Low	64.5	Low	50 Å²	50	83.9 Å²	83.9	41%	0.413	47%	0.47	S	S	.	.			trans	-68.2	149.4	179.1	0	0	0	0	0	110.8	N643 T644	A641-N643 VanDerWaalsContact CB-OD1 3.31Å; A641-N643 WeakPolarHBondContact CB-OD1 3.27Å; A641-N643 PolarHBondContact O-N 3.25Å; A641-N643 VanDerWaalsContact O-N 3.17Å; A641-T644 PolarHBondContact N-OG1 3.03Å; A641-T644 VanDerWaalsContact O-CB 3.29Å; A641-T644 WeakPolarHBondContact O-CB 3.29Å; A641-T644 PolarHBondContact O-N 3.29Å; A641-T644 PolarHBondContact O-OG1 3.13Å
642	Y	59.9	Low	66	Low	158 Å²	158	84 Å²	84	62%	0.62	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-33.9	-176.6	-80.6	-72.6	0	0	0	113.1	T644 L674 K676	Y642-T644 VanDerWaalsContact C-N 3.35Å; Y642-L674 PolarHBondContact OH-O 2.66Å; Y642-K676 PolarHBondContact O-NZ 2.82Å
643	N	67.6	Low	66.5	Low	135 Å²	135	82.5 Å²	82.5	72%	0.722	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-9.6	176.1	66.1	-54.3	0	0	0	114.6	A641 G645	A641-N643 VanDerWaalsContact CB-OD1 3.31Å; A641-N643 WeakPolarHBondContact CB-OD1 3.27Å; A641-N643 PolarHBondContact O-N 3.25Å; A641-N643 VanDerWaalsContact O-N 3.17Å; N643-G645 PolarHBondContact O-N 3.27Å
644	T	67.4	Low	66.5	Low	22 Å²	22	83.7 Å²	83.7	14%	0.135	43%	0.432	C	S	.	.			trans	-60.8	125.4	-177.3	-63.5	0	0	0	0	111.3	L640 A641 Y642 E648 I649 K676	L640-T644 HydrophobicContact CD2-CG2 4.44Å; A641-T644 PolarHBondContact N-OG1 3.03Å; A641-T644 VanDerWaalsContact O-CB 3.29Å; A641-T644 WeakPolarHBondContact O-CB 3.29Å; A641-T644 PolarHBondContact O-N 3.29Å; A641-T644 PolarHBondContact O-OG1 3.13Å; Y642-T644 VanDerWaalsContact C-N 3.35Å; T644-E648 WeakPolarHBondContact CA-OE2 3.45Å; T644-E648 HydrophobicContact CG2-CB 4.25Å; T644-I649 HydrophobicContact CG2-CD1 4.42Å; T644-I649 HydrophobicContact CG2-CG1 4.04Å; T644-K676 PolarHBondContact O-NZ 3.27Å
645	G	68.3	Low	66.2	Low	31 Å²	31	83.1 Å²	83.1	32%	0.32	44%	0.444	S	S	.	.			trans	-101.1	159.7	-175.6	0	0	0	0	0	113.8	N643 K647 E648 I649	N643-G645 PolarHBondContact O-N 3.27Å; G645-K647 PolarHBondContact O-N 3.14Å; G645-K647 VanDerWaalsContact O-N 3.14Å; G645-E648 PolarHBondContact N-OE2 3.37Å; G645-E648 WeakPolarHBondContact O-CB 3.5Å; G645-E648 PolarHBondContact O-N 2.91Å; G645-I649 PolarHBondContact O-N 3Å
646	V	68.8	Low	66	Low	64 Å²	64	88.7 Å²	88.7	39%	0.388	46%	0.461	S	S	.	.	H	α-helix	trans	-52.6	-38.5	-179.4	-179.5	0	0	0	0	112.4	E648 I649 L650 L664 W678	V646-E648 VanDerWaalsContact C-N 3.32Å; V646-E648 PolarHBondContact O-N 2.68Å; V646-I649 PolarHBondContact O-N 2.99Å; V646-L650 HydrophobicContact CG1-CD1 4.05Å; V646-L650 HydrophobicContact CG1-CG 4.38Å; V646-L650 WeakPolarHBondContact O-CG 3.44Å; V646-L650 PolarHBondContact O-N 3.18Å; V646-L664 HydrophobicContact CG1-CD1 4.14Å; V646-W678 HydrophobicContact CG2-CH2 3.53Å; V646-W678 HydrophobicContact CG2-CZ2 4.14Å; V646-W678 HydrophobicContact CG2-CZ3 4.02Å
647	K	67.4	Low	65.2	Low	168 Å²	168	91.3 Å²	91.3	73%	0.73	48%	0.48	S	S	*	.	H	α-helix	trans	-63.5	-33.1	178.4	-171.7	174.4	-179.5	178.6	0	113.5	G645 N651	G645-K647 PolarHBondContact O-N 3.14Å; G645-K647 VanDerWaalsContact O-N 3.14Å; K647-N651 WeakPolarHBondContact O-CB 3.41Å; K647-N651 PolarHBondContact O-N 3.15Å; K647-N651 VanDerWaalsContact O-N 3.11Å; K647-N651 PolarHBondContact O-OD1 2.6Å
648	E	68.9	Low	64.8	Low	112 Å²	112	95.6 Å²	95.6	52%	0.523	50%	0.495	S	S	.	.	H	α-helix	trans	-75.2	-32.9	177.7	-61.9	170.9	141.2	0	0	111	T644 G645 V646 F652	T644-E648 WeakPolarHBondContact CA-OE2 3.45Å; T644-E648 HydrophobicContact CG2-CB 4.25Å; G645-E648 PolarHBondContact N-OE2 3.37Å; G645-E648 WeakPolarHBondContact O-CB 3.5Å; G645-E648 PolarHBondContact O-N 2.91Å; V646-E648 VanDerWaalsContact C-N 3.32Å; V646-E648 PolarHBondContact O-N 2.68Å; E648-F652 PolarHBondContact O-N 3.41Å
649	I	71.4	Confident	64	Low	4 Å²	4	91.8 Å²	91.8	2%	0.021	49%	0.485	C	S	.	.	H	α-helix	trans	-69.4	-45.6	174.5	-60.1	170.4	0	0	0	110.4	M637 L640 T644 G645 V646 N651 F652 F653 L664 W678	M637-I649 HydrophobicContact SD-CG2 3.86Å; L640-I649 HydrophobicContact CD1-CD1 4.01Å; L640-I649 HydrophobicContact CD1-CG1 4.19Å; T644-I649 HydrophobicContact CG2-CD1 4.42Å; T644-I649 HydrophobicContact CG2-CG1 4.04Å; G645-I649 PolarHBondContact O-N 3Å; V646-I649 PolarHBondContact O-N 2.99Å; I649-N651 VanDerWaalsContact C-N 3.3Å; I649-N651 PolarHBondContact O-N 3.18Å; I649-F652 WeakPolarHBondContact O-CB 3.21Å; I649-F652 PolarHBondContact O-N 3.49Å; I649-F653 HydrophobicContact CG2-CE2 4.08Å; I649-F653 WeakPolarHBondContact O-CD2 3.4Å; I649-L664 HydrophobicContact CG2-CD2 3.89Å; I649-W678 HydrophobicContact CD1-CB 4.24Å; I649-W678 VanDerWaalsContact CD1-CD1 3.49Å; I649-W678 HydrophobicContact CD1-CD2 3.73Å; I649-W678 HydrophobicContact CD1-CG 3.58Å; I649-W678 HydrophobicContact CD1-CZ2 4.47Å
650	L	67	Low	63.4	Low	57 Å²	57	95.2 Å²	95.2	30%	0.298	50%	0.495	S	S	.	.	H	α-helix	trans	-61.5	-37.4	175	-71.3	171.1	0	0	0	112.3	V646 F652 F653 Q654 Y658 L664	V646-L650 HydrophobicContact CG1-CD1 4.05Å; V646-L650 HydrophobicContact CG1-CG 4.38Å; V646-L650 WeakPolarHBondContact O-CG 3.44Å; V646-L650 PolarHBondContact O-N 3.18Å; L650-F652 PolarHBondContact O-N 3.47Å; L650-F653 PolarHBondContact O-N 2.93Å; L650-F653 VanDerWaalsContact O-N 3.14Å; L650-Q654 PolarHBondContact O-N 3.29Å; L650-Y658 HydrophobicContact CD2-CE2 4.4Å; L650-L664 HydrophobicContact CD2-CD1 3.66Å; L650-L664 HydrophobicContact CG-CD1 4.07Å
651	N	68.8	Low	62.5	Low	94 Å²	94	101 Å²	101	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-62.2	-24.5	173.2	-93.9	45.8	0	0	0	113.7	K647 I649 Q654	K647-N651 WeakPolarHBondContact O-CB 3.41Å; K647-N651 PolarHBondContact O-N 3.15Å; K647-N651 VanDerWaalsContact O-N 3.11Å; K647-N651 PolarHBondContact O-OD1 2.6Å; I649-N651 VanDerWaalsContact C-N 3.3Å; I649-N651 PolarHBondContact O-N 3.18Å; N651-Q654 WeakPolarHBondContact O-CB 3.04Å; N651-Q654 PolarHBondContact O-N 2.98Å
652	F	71.3	Confident	62.1	Low	134 Å²	134	102.1 Å²	102.1	59%	0.588	52%	0.52	S	S	*	.	H	α-helix	trans	-71.5	-30.7	174.7	176.5	-94.4	0	0	0	112.5	M637 E648 I649 L650 Q654	M637-F652 HydrophobicContact CE-CD1 3.65Å; M637-F652 HydrophobicContact CE-CD2 4.39Å; M637-F652 HydrophobicContact CE-CE1 3.86Å; M637-F652 HydrophobicContact CE-CG 3.94Å; M637-F652 HydrophobicContact CE-CZ 4.32Å; M637-F652 HydrophobicContact SD-CD1 4.41Å; E648-F652 PolarHBondContact O-N 3.41Å; I649-F652 WeakPolarHBondContact O-CB 3.21Å; I649-F652 PolarHBondContact O-N 3.49Å; L650-F652 PolarHBondContact O-N 3.47Å; F652-Q654 VanDerWaalsContact C-N 3.34Å
653	F	66.4	Low	62	Low	27 Å²	27	96.3 Å²	96.3	12%	0.118	51%	0.508	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	3.8	176.6	-62	-75.2	0	0	0	113.3	V635 M637 I649 L650 G655 Y656 C680	V635-F653 HydrophobicContact CB-CE1 4.33Å; V635-F653 HydrophobicContact CB-CZ 4.12Å; V635-F653 HydrophobicContact CG1-CE1 4.15Å; V635-F653 HydrophobicContact CG1-CZ 3.87Å; V635-F653 HydrophobicContact CG2-CE1 4.24Å; M637-F653 HydrophobicContact SD-CE2 3.88Å; M637-F653 HydrophobicContact SD-CZ 3.99Å; I649-F653 HydrophobicContact CG2-CE2 4.08Å; I649-F653 WeakPolarHBondContact O-CD2 3.4Å; L650-F653 PolarHBondContact O-N 2.93Å; L650-F653 VanDerWaalsContact O-N 3.14Å; F653-G655 PolarHBondContact O-N 2.98Å; F653-Y656 PolarHBondContact O-N 3.05Å; F653-C680 HydrophobicContact CE2-CB 4.47Å
654	Q	55.8	Low	61.5	Low	147 Å²	147	91.9 Å²	91.9	69%	0.687	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	95.6	-177.6	-169	170	37.5	0	0	111.4	L650 N651 F652	L650-Q654 PolarHBondContact O-N 3.29Å; N651-Q654 WeakPolarHBondContact O-CB 3.04Å; N651-Q654 PolarHBondContact O-N 2.98Å; F652-Q654 VanDerWaalsContact C-N 3.34Å
655	G	55.8	Low	61	Low	79 Å²	79	95 Å²	95	81%	0.814	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	138.9	-18.2	-174.1	0	0	0	0	0	113.4	F653	F653-G655 PolarHBondContact O-N 2.98Å
656	Y	59.3	Low	60.2	Low	172 Å²	172	97.8 Å²	97.8	68%	0.675	50%	0.504	S	S	*	.	S	Bend	trans	-88	149.7	168.1	-61.6	-89.6	0	0	0	110.2	F653 Y658	F653-Y656 PolarHBondContact O-N 3.05Å; Y656-Y658 PolarHBondContact O-N 2.74Å
657	Q	51.6	Low	59.5	Low	209 Å²	209	97.6 Å²	97.6	98%	0.977	50%	0.503	S	S	*	.			trans	-80.4	113.6	170.4	-69.2	-178.3	-7.8	0	0	109.1
658	Y	59	Low	58.7	Low	122 Å²	122	94.1 Å²	94.1	48%	0.478	49%	0.492	S	S	.	.			trans	-131.3	155.9	171.6	68.2	-89.3	0	0	0	109.2	L650 Y656	L650-Y658 HydrophobicContact CD2-CE2 4.4Å; Y656-Y658 PolarHBondContact O-N 2.74Å
659	A	52.3	Low	57.5	Low	47 Å²	47	95 Å²	95	39%	0.388	50%	0.5	S	S	.	.			trans	-87.2	150.1	178.3	0	0	0	0	0	111	E661 D662	A659-E661 PolarHBondContact O-N 3.22Å; A659-E661 VanDerWaalsContact O-N 3.11Å; A659-D662 WeakPolarHBondContact CA-OD2 3.11Å; A659-D662 PolarHBondContact N-OD2 3.26Å; A659-D662 WeakPolarHBondContact O-CB 3.4Å; A659-D662 PolarHBondContact O-N 3.2Å
660	T	50	Low	56.1	Low	130 Å²	130	103.7 Å²	103.7	80%	0.798	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-10.6	175.6	39	0	0	0	0	114.1
661	E	49.7	Very low	55.1	Low	159 Å²	159	104.7 Å²	104.7	74%	0.743	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-9.7	179.3	-36.5	-51.1	113.4	0	0	112.5	A659 G663	A659-E661 PolarHBondContact O-N 3.22Å; A659-E661 VanDerWaalsContact O-N 3.11Å; E661-G663 PolarHBondContact O-N 2.7Å
662	D	57.9	Low	53.8	Low	73 Å²	73	109.7 Å²	109.7	39%	0.39	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-74.3	118.6	-171.5	-62.9	-24	0	0	0	111.7	A659	A659-D662 WeakPolarHBondContact CA-OD2 3.11Å; A659-D662 PolarHBondContact N-OD2 3.26Å; A659-D662 WeakPolarHBondContact O-CB 3.4Å; A659-D662 PolarHBondContact O-N 3.2Å
663	G	57.7	Low	52.7	Low	36 Å²	36	110.2 Å²	110.2	37%	0.371	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-90.4	121	-165.4	0	0	0	0	0	115.3	E661	E661-G663 PolarHBondContact O-N 2.7Å
664	L	56.3	Low	51.9	Low	43 Å²	43	114.3 Å²	114.3	23%	0.225	61%	0.606	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.5	116.8	168.4	-91.3	131.4	0	0	0	112	V646 I649 L650 W678 C680	V646-L664 HydrophobicContact CG1-CD1 4.14Å; I649-L664 HydrophobicContact CG2-CD2 3.89Å; L650-L664 HydrophobicContact CD2-CD1 3.66Å; L650-L664 HydrophobicContact CG-CD1 4.07Å; L664-W678 HydrophobicContact CB-CE3 4.47Å; L664-W678 HydrophobicContact CB-CZ3 4.49Å; L664-W678 HydrophobicContact CD2-CE3 3.98Å; L664-C680 HydrophobicContact CD2-CB 4.45Å; L664-C680 HydrophobicContact CG-CB 4.49Å
665	I	57.4	Low	51.7	Low	88 Å²	88	110.7 Å²	110.7	45%	0.451	60%	0.595	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.7	127.9	178.1	-56.9	-171.9	0	0	0	110.6	T667 V679 I681	I665-T667 HydrophobicContact CG2-CG2 4.37Å; I665-T667 PolarHBondContact O-N 3.25Å; I665-V679 PolarHBondContact N-O 3.11Å; I665-V679 PolarHBondContact O-N 2.97Å; I665-I681 HydrophobicContact CD1-CD1 3.71Å; I665-I681 HydrophobicContact CG1-CD1 4.22Å
666	H	52.1	Low	51.7	Low	89 Å²	89	108.5 Å²	108.5	41%	0.412	56%	0.563	S	S	.	*			trans	-89.9	98.1	176.5	-178.2	-103.8	0	0	0	111	N668 W678	H666-N668 WeakPolarHBondContact CE1-CB 3.1Å; H666-N668 PolarHBondContact O-N 2.76Å; H666-W678 HydrophobicContact CB-CE3 4.07Å; H666-W678 HydrophobicContact CB-CH2 4Å; H666-W678 HydrophobicContact CB-CZ3 3.74Å; H666-W678 AromaticContact CD2-CE2 3.68Å; H666-W678 AromaticContact CD2-CH2 3.85Å; H666-W678 AromaticContact CD2-CZ2 3.57Å
667	T	52.8	Low	51.7	Low	60 Å²	60	102.3 Å²	102.3	37%	0.368	54%	0.541	S	S	.	.			trans	-86.1	93.9	178.3	50.1	0	0	0	0	111.1	I665 V679	I665-T667 HydrophobicContact CG2-CG2 4.37Å; I665-T667 PolarHBondContact O-N 3.25Å; T667-V679 HydrophobicContact CG2-CG2 3.96Å
668	N	51	Low	52.2	Low	94 Å²	94	93.6 Å²	93.6	50%	0.503	50%	0.499	S	S	.	.			trans	-132.7	101.4	176.6	-173.3	57.6	0	0	0	111.9	H666	H666-N668 WeakPolarHBondContact CE1-CB 3.1Å; H666-N668 PolarHBondContact O-N 2.76Å
669	D	43.3	Very low	51.9	Low	131 Å²	131	89 Å²	89	70%	0.701	48%	0.484	S	S	*	.			trans	-77.9	121.3	170.1	-177.5	7.8	0	0	0	109.4	A671	D669-A671 PolarHBondContact O-N 2.67Å
670	Q	43.3	Very low	52.4	Low	186 Å²	186	88 Å²	88	87%	0.869	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	3.7	-165.3	-66.1	-170.2	-3.1	0	0	114.9
671	A	45.3	Very low	52.7	Low	78 Å²	78	86.1 Å²	86.1	65%	0.645	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-4.2	-168.2	0	0	0	0	0	116.4	D669	D669-A671 PolarHBondContact O-N 2.67Å
672	R	42.2	Very low	52.9	Low	199 Å²	199	82.5 Å²	82.5	75%	0.751	44%	0.443	S	S	*	.			trans	-141.1	143.8	-175.4	-69.4	-171.6	176	173.3	0.8	115.7	L674	R672-L674 VanDerWaalsContact C-N 3.27Å; R672-L674 HydrophobicContact CB-CD1 4.38Å; R672-L674 HydrophobicContact CB-CG 4.45Å; R672-L674 PolarHBondContact O-N 2.7Å
673	T	47.7	Very low	52.6	Low	146 Å²	146	83 Å²	83	90%	0.896	45%	0.446	S	S	*	.			trans	-78.3	66.2	175.3	44.2	0	0	0	0	112.3
674	L	49.5	Very low	52.3	Low	112 Å²	112	85.6 Å²	85.6	59%	0.586	45%	0.45	S	S	*	.			trans	-112.3	155.5	175.2	-74.5	171.7	0	0	0	111.2	Y642 R672	Y642-L674 PolarHBondContact OH-O 2.66Å; R672-L674 VanDerWaalsContact C-N 3.27Å; R672-L674 HydrophobicContact CB-CD1 4.38Å; R672-L674 HydrophobicContact CB-CG 4.45Å; R672-L674 PolarHBondContact O-N 2.7Å
675	P	51.1	Low	52.1	Low	71 Å²	71	88.1 Å²	88.1	46%	0.461	46%	0.463	S	S	.	.			trans	-65.2	156.4	179.7	28.4	-36.1	0	0	0	112.2	E677	P675-E677 PolarHBondContact O-N 3.23Å
676	K	56.7	Low	51.7	Low	33 Å²	33	88.1 Å²	88.1	14%	0.143	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	128.1	-177	-162.1	179.8	-164	174.8	0	111.1	Y642 T644	Y642-K676 PolarHBondContact O-NZ 2.82Å; T644-K676 PolarHBondContact O-NZ 3.27Å
677	E	58.3	Low	51.7	Low	42 Å²	42	88.1 Å²	88.1	20%	0.196	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	147	173.9	-61.8	-160.8	142.3	0	0	111.3	R636 M637 Q638 P675	R636-E677 IonicContact CZ-OE1 2.65Å; R636-E677 IonicContact CZ-OE2 3.96Å; R636-E677 IonicContact NE-OE1 2.68Å; R636-E677 PolarHBondContact NE-OE1 3.2Å; R636-E677 IonicContact NE-OE2 3.56Å; R636-E677 PolarHBondContact NE-OE2 2.86Å; R636-E677 IonicContact NH2-OE1 3.8Å; R636-E677 PolarHBondContact NH2-OE1 3.45Å; R636-E677 IonicContact NH2-OE2 3.8Å; R636-E677 PolarHBondContact NH2-OE2 3.39Å; M637-E677 WeakPolarHBondContact O-CA 3.46Å; Q638-E677 HydrophobicContact CG-CG 4.34Å; Q638-E677 WeakPolarHBondContact CG-OE1 3.09Å; Q638-E677 PolarHBondContact NE2-OE1 2.91Å; P675-E677 PolarHBondContact O-N 3.23Å
678	W	63.1	Low	51.6	Low	26 Å²	26	90.1 Å²	90.1	10%	0.098	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	147.7	168.9	-72.8	86.5	0	0	0	110.2	M637 V646 I649 L664 H666	M637-W678 PolarHBondContact N-O 2.93Å; M637-W678 PolarHBondContact O-N 3.26Å; M637-W678 VanDerWaalsContact O-N 3.16Å; V646-W678 HydrophobicContact CG2-CH2 3.53Å; V646-W678 HydrophobicContact CG2-CZ2 4.14Å; V646-W678 HydrophobicContact CG2-CZ3 4.02Å; I649-W678 HydrophobicContact CD1-CB 4.24Å; I649-W678 VanDerWaalsContact CD1-CD1 3.49Å; I649-W678 HydrophobicContact CD1-CD2 3.73Å; I649-W678 HydrophobicContact CD1-CG 3.58Å; I649-W678 HydrophobicContact CD1-CZ2 4.47Å; L664-W678 HydrophobicContact CB-CE3 4.47Å; L664-W678 HydrophobicContact CB-CZ3 4.49Å; L664-W678 HydrophobicContact CD2-CE3 3.98Å; H666-W678 HydrophobicContact CB-CE3 4.07Å; H666-W678 HydrophobicContact CB-CH2 4Å; H666-W678 HydrophobicContact CB-CZ3 3.74Å; H666-W678 AromaticContact CD2-CE2 3.68Å; H666-W678 AromaticContact CD2-CH2 3.85Å; H666-W678 AromaticContact CD2-CZ2 3.57Å
679	V	53.1	Low	51.7	Low	27 Å²	27	89.8 Å²	89.8	16%	0.164	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.2	170.7	-178	0	0	0	0	108	V634 I665 T667 I681	V634-V679 HydrophobicContact CG1-CG1 3.46Å; V634-V679 VanDerWaalsContact CG1-CG1 3.46Å; I665-V679 PolarHBondContact N-O 3.11Å; I665-V679 PolarHBondContact O-N 2.97Å; T667-V679 HydrophobicContact CG2-CG2 3.96Å; V679-I681 HydrophobicContact CG1-CG1 4.31Å
680	C	62.4	Low	52.4	Low	24 Å²	24	86.3 Å²	86.3	16%	0.162	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	131.5	160.7	-157.5	0	0	0	0	107.2	V634 V635 F653 L664	V634-C680 CarbonylContact C-O 3.56Å; V634-C680 WeakPolarHBondContact CA-O 3.22Å; V635-C680 PolarHBondContact N-O 3.06Å; V635-C680 PolarHBondContact O-N 2.9Å; F653-C680 HydrophobicContact CE2-CB 4.47Å; L664-C680 HydrophobicContact CD2-CB 4.45Å; L664-C680 HydrophobicContact CG-CB 4.49Å
681	I	56	Low	53.2	Low	92 Å²	92	77.3 Å²	77.3	47%	0.472	42%	0.416	S	S	.	.			trans	-89.7	0	179.4	-63.9	179.6	0	0	0	109.3	I665 V679	I665-I681 HydrophobicContact CD1-CD1 3.71Å; I665-I681 HydrophobicContact CG1-CD1 4.22Å; V679-I681 HydrophobicContact CG1-CG1 4.31Å

Retrieved 681 of 681 residues in 117.2 ms (Link to these results)

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