A0A5K4EU92_SCHMA Loading...

Putative WD-repeat protein

AlphaFold DB , UniProt , Accession A0A5K4EU92, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 840 aa.

						>A0A5K4EU92_SCHMA|A0A5K4EU92
MNLENAGLQDRVIDLEKRSAEQANELACLRSSLADCLRRLNLLESARGMKLHSSSRKPVLHNNGTNVTKTNSRTDSSYSSRRHTNSRNPTSTGHQSKNSRDSSLVVPHSTTASTTARTRLKSPQSVRLSSSSTTLNNQGVGVSGATNQTSSKETTYLPGDGILRFYIRGRPVNVYMPTQIMQNYDLSIPLKAPDTTLKLEWIYGYRGRDCRNNLHYLPTGELIYFVAAVVVLYNIEEQCQRHYLEHTDDVKCIAIHPDRITVATGQSAGHDKQFGKPHVRIWSSVDLKTLKIIGLGEFERSVCCLSFSKTDSGVKLCAVDEATDHVISIWDWQKSRKITETKCSTEPITAVEFHPLDDATLVSGGKGHLAFWTFDGCTLSKKMGIFENGKQPIEKPKFILCLTFAENGDLLTGDSAGNIIAWKRGTNTVNQICQGVHEGGIFSLCLTNNGHLISGGGKDRRLVFFDAALNPTGRTEELTELYGSVRTITQGPGELLIIGTTKNMILQAGPGMEISPLMFGHFEEFWSLAKHPQAHQFITGGRDHLVILWDSLSKQAIWSKEFTDAIHCAAFYPPQSVLITNGTMSPVNNHNNDSNINGNNVIDETNNLDFNVSMMNSHDLLVVLGTSTGRWLVFNCLKQEIIAAHSDGLGEQIECVAYSPDGNYLALGSRDNVIYVYNVLERGYKYNRVGRCCGHTSFILHIDWSVDGRFIRSVSGDYEILFWTAFDCRQVVSPSTLRDLEWASQTCTLGWEVAGIWPSDSDGTDVNACDRSPTADILATGDDYGKVKLFKYPTNKPKAEFRAYNGHSSHVTNVTFLYDGSRLISTGGKDTAVLQWEVCI
					

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(Predicted Aligned Error values between residue pairs)

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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	48.4	Very low	64.7	Low	191 Å²	191	121.7 Å²	121.7	94%	0.941	63%	0.628	S	S	*	*				0	-35.9	0	-84.6	-169.7	-90.3	0	0	114.3
2	N	59.1	Low	66	Low	145 Å²	145	117.8 Å²	117.8	78%	0.775	61%	0.613	S	S	*	*	H	α-helix	trans	-78.6	-27.7	-173.4	-65.8	13.7	0	0	0	115.9
3	L	55.7	Low	67	Low	160 Å²	160	116.3 Å²	116.3	84%	0.838	61%	0.605	S	S	*	*	H	α-helix	trans	-75.5	-41.2	179.1	-106.6	78.2	0	0	0	113.7	N5 A6 G7	L3-N5 VanDerWaalsContact C-N 3.34Å; L3-N5 PolarHBondContact O-N 3.39Å; L3-A6 PolarHBondContact O-N 3.1Å; L3-G7 PolarHBondContact O-N 3.33Å
4	E	56.3	Low	67.8	Low	148 Å²	148	112.7 Å²	112.7	69%	0.692	59%	0.587	S	S	*	*	H	α-helix	trans	-66.3	-36.1	-178.7	-72.5	173	121.7	0	0	112.3	G7 L8	E4-G7 PolarHBondContact O-N 3.47Å; E4-L8 WeakPolarHBondContact O-CG 3.25Å; E4-L8 PolarHBondContact O-N 3Å
5	N	62.9	Low	68.3	Low	99 Å²	99	112.6 Å²	112.6	53%	0.529	59%	0.587	S	S	.	*	H	α-helix	trans	-64.9	-39.5	176.3	-78.1	-5.2	0	0	0	112.2	L3 L8 Q9	L3-N5 VanDerWaalsContact C-N 3.34Å; L3-N5 PolarHBondContact O-N 3.39Å; N5-L8 PolarHBondContact O-N 2.88Å; N5-Q9 WeakPolarHBondContact O-CB 3.46Å; N5-Q9 PolarHBondContact O-N 3.38Å
6	A	63.1	Low	69	Low	51 Å²	51	113.2 Å²	113.2	42%	0.421	59%	0.586	S	S	.	*	H	α-helix	trans	-61.5	-49.4	176.1	0	0	0	0	0	111.3	L3 L8 Q9 D10	L3-A6 PolarHBondContact O-N 3.1Å; A6-L8 PolarHBondContact O-N 3.24Å; A6-Q9 WeakPolarHBondContact O-CB 3.36Å; A6-Q9 PolarHBondContact O-N 3.19Å; A6-D10 PolarHBondContact O-N 3.36Å
7	G	72.7	Confident	69.4	Low	34 Å²	34	114.2 Å²	114.2	35%	0.351	59%	0.585	S	S	.	*	H	α-helix	trans	-66.8	-20.3	178.1	0	0	0	0	0	114.8	L3 E4 R11	L3-G7 PolarHBondContact O-N 3.33Å; E4-G7 PolarHBondContact O-N 3.47Å; G7-R11 WeakPolarHBondContact O-CD 3.27Å; G7-R11 VanDerWaalsContact O-CG 3.28Å; G7-R11 WeakPolarHBondContact O-CG 3.46Å
8	L	72.7	Confident	69.7	Low	98 Å²	98	115.2 Å²	115.2	51%	0.513	58%	0.58	S	S	.	*	H	α-helix	trans	-76.6	-38.9	168.3	-75.4	170.6	0	0	0	111.7	E4 N5 A6 R11 V12	E4-L8 WeakPolarHBondContact O-CG 3.25Å; E4-L8 PolarHBondContact O-N 3Å; N5-L8 PolarHBondContact O-N 2.88Å; A6-L8 PolarHBondContact O-N 3.24Å; L8-R11 PolarHBondContact O-N 2.87Å; L8-V12 PolarHBondContact O-N 3.16Å; L8-V12 VanDerWaalsContact O-N 3.1Å
9	Q	69.3	Low	69.9	Low	134 Å²	134	112.9 Å²	112.9	63%	0.626	58%	0.576	S	S	*	*	H	α-helix	trans	-68.3	-42.7	-178.3	-160.2	159.4	-3.6	0	0	111.6	N5 A6 R11 V12 I13	N5-Q9 WeakPolarHBondContact O-CB 3.46Å; N5-Q9 PolarHBondContact O-N 3.38Å; A6-Q9 WeakPolarHBondContact O-CB 3.36Å; A6-Q9 PolarHBondContact O-N 3.19Å; Q9-R11 VanDerWaalsContact C-N 3.26Å; Q9-R11 PolarHBondContact O-N 2.63Å; Q9-V12 PolarHBondContact O-N 2.63Å; Q9-V12 VanDerWaalsContact O-N 3.12Å; Q9-I13 WeakPolarHBondContact O-CG1 3.4Å; Q9-I13 PolarHBondContact O-N 2.98Å; Q9-I13 VanDerWaalsContact O-N 3.12Å
10	D	74.2	Confident	69.8	Low	110 Å²	110	109.9 Å²	109.9	59%	0.588	57%	0.568	S	S	*	*	H	α-helix	trans	-57.6	-38.2	172.1	-67.1	-27.3	0	0	0	112.3	A6 I13 D14	A6-D10 PolarHBondContact O-N 3.36Å; D10-I13 PolarHBondContact O-N 2.87Å; D10-D14 PolarHBondContact O-N 3.2Å
11	R	77.7	Confident	70	Confident	169 Å²	169	109.2 Å²	109.2	64%	0.638	56%	0.563	S	S	*	*	H	α-helix	trans	-72.4	-27.8	178.1	-73.7	177.2	65.8	-172.7	-0.2	113.4	G7 L8 Q9 L15	G7-R11 WeakPolarHBondContact O-CD 3.27Å; G7-R11 VanDerWaalsContact O-CG 3.28Å; G7-R11 WeakPolarHBondContact O-CG 3.46Å; L8-R11 PolarHBondContact O-N 2.87Å; Q9-R11 VanDerWaalsContact C-N 3.26Å; Q9-R11 PolarHBondContact O-N 2.63Å; R11-L15 WeakPolarHBondContact O-CB 3.36Å; R11-L15 WeakPolarHBondContact O-CD1 3.28Å; R11-L15 VanDerWaalsContact O-CG 3.26Å; R11-L15 WeakPolarHBondContact O-CG 3.45Å; R11-L15 PolarHBondContact O-N 3.05Å
12	V	79.8	Confident	71.1	Confident	74 Å²	74	106 Å²	106	45%	0.448	55%	0.546	S	S	.	.	H	α-helix	trans	-69.7	-46.4	172	171.5	0	0	0	0	109.6	L8 Q9 D14 L15 E16	L8-V12 PolarHBondContact O-N 3.16Å; L8-V12 VanDerWaalsContact O-N 3.1Å; Q9-V12 PolarHBondContact O-N 2.63Å; Q9-V12 VanDerWaalsContact O-N 3.12Å; V12-D14 VanDerWaalsContact C-N 3.35Å; V12-D14 PolarHBondContact O-N 2.83Å; V12-L15 PolarHBondContact O-N 2.92Å; V12-E16 HydrophobicContact CG1-CG 4.24Å; V12-E16 WeakPolarHBondContact O-CG 3.45Å; V12-E16 PolarHBondContact O-N 3.38Å
13	I	79	Confident	71.7	Confident	99 Å²	99	101.8 Å²	101.8	51%	0.508	53%	0.531	S	S	.	.	H	α-helix	trans	-59.7	-42.9	178.3	-64.3	165.4	0	0	0	111.5	Q9 D10 L15 E16 K17	Q9-I13 WeakPolarHBondContact O-CG1 3.4Å; Q9-I13 PolarHBondContact O-N 2.98Å; Q9-I13 VanDerWaalsContact O-N 3.12Å; D10-I13 PolarHBondContact O-N 2.87Å; I13-L15 PolarHBondContact O-N 3.13Å; I13-E16 PolarHBondContact O-N 2.83Å; I13-K17 WeakPolarHBondContact O-CB 3.47Å; I13-K17 PolarHBondContact O-N 2.95Å
14	D	78.2	Confident	72	Confident	66 Å²	66	97.7 Å²	97.7	35%	0.353	51%	0.51	S	S	.	.	H	α-helix	trans	-63.5	-37.3	174.3	177.7	49.8	0	0	0	112.6	D10 V12 R18	D10-D14 PolarHBondContact O-N 3.2Å; V12-D14 VanDerWaalsContact C-N 3.35Å; V12-D14 PolarHBondContact O-N 2.83Å; D14-R18 VanDerWaalsContact CG-NE 3.31Å; D14-R18 WeakPolarHBondContact O-CB 3.31Å; D14-R18 WeakPolarHBondContact O-CD 3.32Å; D14-R18 WeakPolarHBondContact O-CG 3.39Å; D14-R18 PolarHBondContact O-N 2.77Å; D14-R18 IonicContact OD1-CZ 2.74Å; D14-R18 IonicContact OD1-NE 2.69Å; D14-R18 PolarHBondContact OD1-NE 3.27Å; D14-R18 IonicContact OD1-NH2 3.96Å; D14-R18 PolarHBondContact OD1-NH2 2.99Å; D14-R18 IonicContact OD2-CZ 3.13Å; D14-R18 IonicContact OD2-NE 3.11Å; D14-R18 PolarHBondContact OD2-NE 2.99Å; D14-R18 VanDerWaalsContact OD2-NE 3.08Å; D14-R18 IonicContact OD2-NH2 2.68Å; D14-R18 PolarHBondContact OD2-NH2 3.45Å
15	L	75.5	Confident	72.7	Confident	111 Å²	111	96.8 Å²	96.8	58%	0.581	51%	0.505	S	S	*	.	H	α-helix	trans	-71.7	-39.5	175.9	-74.4	171	0	0	0	112.8	R11 V12 I13 R18 S19	R11-L15 WeakPolarHBondContact O-CB 3.36Å; R11-L15 WeakPolarHBondContact O-CD1 3.28Å; R11-L15 VanDerWaalsContact O-CG 3.26Å; R11-L15 WeakPolarHBondContact O-CG 3.45Å; R11-L15 PolarHBondContact O-N 3.05Å; V12-L15 PolarHBondContact O-N 2.92Å; I13-L15 PolarHBondContact O-N 3.13Å; L15-R18 PolarHBondContact O-N 3.39Å; L15-S19 WeakPolarHBondContact O-CB 3.26Å; L15-S19 PolarHBondContact O-N 3.13Å
16	E	79.2	Confident	73.2	Confident	122 Å²	122	96.5 Å²	96.5	57%	0.57	50%	0.503	S	S	*	.	H	α-helix	trans	-63.5	-44.1	175.2	-73.5	171.9	164.1	0	0	110.9	V12 I13 S19 A20	V12-E16 HydrophobicContact CG1-CG 4.24Å; V12-E16 WeakPolarHBondContact O-CG 3.45Å; V12-E16 PolarHBondContact O-N 3.38Å; I13-E16 PolarHBondContact O-N 2.83Å; E16-S19 WeakPolarHBondContact O-CB 3.15Å; E16-S19 PolarHBondContact O-N 3.18Å; E16-A20 PolarHBondContact O-N 2.62Å
17	K	76	Confident	73	Confident	131 Å²	131	96.5 Å²	96.5	57%	0.57	50%	0.503	S	S	*	.	H	α-helix	trans	-58	-50.2	173.2	-179.1	178	172.9	179.9	0	111.9	I13 S19 A20 E21	I13-K17 WeakPolarHBondContact O-CB 3.47Å; I13-K17 PolarHBondContact O-N 2.95Å; K17-S19 VanDerWaalsContact C-N 3.27Å; K17-S19 PolarHBondContact O-N 3.35Å; K17-A20 PolarHBondContact O-N 2.84Å; K17-E21 WeakPolarHBondContact CE-OE1 3.44Å; K17-E21 WeakPolarHBondContact O-CG 3.38Å; K17-E21 PolarHBondContact O-N 3.18Å
18	R	74.4	Confident	72.5	Confident	131 Å²	131	98 Å²	98	49%	0.494	51%	0.508	S	S	.	.	H	α-helix	trans	-62.2	-33.8	176.8	-70	169.3	-165.2	-139.8	12.9	112.6	D14 L15 E21 Q22	D14-R18 VanDerWaalsContact CG-NE 3.31Å; D14-R18 WeakPolarHBondContact O-CB 3.31Å; D14-R18 WeakPolarHBondContact O-CD 3.32Å; D14-R18 WeakPolarHBondContact O-CG 3.39Å; D14-R18 PolarHBondContact O-N 2.77Å; D14-R18 IonicContact OD1-CZ 2.74Å; D14-R18 IonicContact OD1-NE 2.69Å; D14-R18 PolarHBondContact OD1-NE 3.27Å; D14-R18 IonicContact OD1-NH2 3.96Å; D14-R18 PolarHBondContact OD1-NH2 2.99Å; D14-R18 IonicContact OD2-CZ 3.13Å; D14-R18 IonicContact OD2-NE 3.11Å; D14-R18 PolarHBondContact OD2-NE 2.99Å; D14-R18 VanDerWaalsContact OD2-NE 3.08Å; D14-R18 IonicContact OD2-NH2 2.68Å; D14-R18 PolarHBondContact OD2-NH2 3.45Å; L15-R18 PolarHBondContact O-N 3.39Å; R18-E21 PolarHBondContact O-N 2.94Å; R18-Q22 WeakPolarHBondContact O-CB 3.2Å; R18-Q22 WeakPolarHBondContact O-CG 3.47Å; R18-Q22 PolarHBondContact O-N 3.15Å
19	S	74.6	Confident	72.2	Confident	73 Å²	73	98.5 Å²	98.5	51%	0.51	51%	0.511	S	S	.	.	H	α-helix	trans	-66.4	-42.5	174.8	-170.9	0	0	0	0	111.4	L15 E16 K17 Q22 A23	L15-S19 WeakPolarHBondContact O-CB 3.26Å; L15-S19 PolarHBondContact O-N 3.13Å; E16-S19 WeakPolarHBondContact O-CB 3.15Å; E16-S19 PolarHBondContact O-N 3.18Å; K17-S19 VanDerWaalsContact C-N 3.27Å; K17-S19 PolarHBondContact O-N 3.35Å; S19-Q22 PolarHBondContact O-N 3.16Å; S19-A23 WeakPolarHBondContact O-CB 3.34Å; S19-A23 PolarHBondContact O-N 3.2Å
20	A	67.5	Low	72.2	Confident	51 Å²	51	100.7 Å²	100.7	42%	0.421	51%	0.513	S	S	.	.	H	α-helix	trans	-65.9	-39.1	174.1	0	0	0	0	0	112.4	E16 K17 A23 N24	E16-A20 PolarHBondContact O-N 2.62Å; K17-A20 PolarHBondContact O-N 2.84Å; A20-A23 PolarHBondContact O-N 2.92Å; A20-N24 PolarHBondContact O-N 2.76Å; A20-N24 PolarHBondContact O-ND2 2.8Å
21	E	73.1	Confident	71.5	Confident	97 Å²	97	97.3 Å²	97.3	45%	0.453	50%	0.498	S	S	.	.	H	α-helix	trans	-59.8	-48.6	171.7	-71.5	168	175	0	0	110.9	K17 R18 A23 N24 E25	K17-E21 WeakPolarHBondContact CE-OE1 3.44Å; K17-E21 WeakPolarHBondContact O-CG 3.38Å; K17-E21 PolarHBondContact O-N 3.18Å; R18-E21 PolarHBondContact O-N 2.94Å; E21-A23 PolarHBondContact O-N 3.38Å; E21-N24 PolarHBondContact O-N 3.42Å; E21-E25 PolarHBondContact O-N 3.27Å
22	Q	72.9	Confident	71	Confident	123 Å²	123	92.1 Å²	92.1	58%	0.575	49%	0.488	S	S	*	.	H	α-helix	trans	-64.3	-34.5	175.7	-75.5	-176.7	-9.7	0	0	113.7	R18 S19 E25 L26	R18-Q22 WeakPolarHBondContact O-CB 3.2Å; R18-Q22 WeakPolarHBondContact O-CG 3.47Å; R18-Q22 PolarHBondContact O-N 3.15Å; S19-Q22 PolarHBondContact O-N 3.16Å; Q22-E25 PolarHBondContact O-N 2.79Å; Q22-L26 WeakPolarHBondContact O-CB 3.37Å; Q22-L26 WeakPolarHBondContact O-CG 3.46Å; Q22-L26 PolarHBondContact O-N 3.35Å
23	A	70.1	Confident	70.5	Confident	56 Å²	56	93.6 Å²	93.6	46%	0.463	49%	0.492	S	S	.	.	H	α-helix	trans	-66.1	-39.7	175.2	0	0	0	0	0	111.6	S19 A20 E21 L26 A27	S19-A23 WeakPolarHBondContact O-CB 3.34Å; S19-A23 PolarHBondContact O-N 3.2Å; A20-A23 PolarHBondContact O-N 2.92Å; E21-A23 PolarHBondContact O-N 3.38Å; A23-L26 PolarHBondContact O-N 2.97Å; A23-A27 PolarHBondContact O-N 2.53Å
24	N	61.9	Low	69.9	Low	74 Å²	74	89.3 Å²	89.3	40%	0.396	47%	0.472	S	S	.	.	H	α-helix	trans	-66.5	-42.2	173	-76	-56	0	0	0	111.9	A20 E21 L26 A27 C28 R542	A20-N24 PolarHBondContact O-N 2.76Å; A20-N24 PolarHBondContact O-ND2 2.8Å; E21-N24 PolarHBondContact O-N 3.42Å; N24-L26 PolarHBondContact O-N 2.9Å; N24-A27 PolarHBondContact O-N 3.5Å; N24-C28 WeakPolarHBondContact O-CB 3.44Å; N24-C28 PolarHBondContact O-N 3.45Å; N24-R542 PolarHBondContact OD1-NH2 3.29Å
25	E	72.6	Confident	69.1	Low	129 Å²	129	87.3 Å²	87.3	60%	0.603	46%	0.462	S	S	*	.	H	α-helix	trans	-58.8	-45.9	171.6	-73.6	-171.4	160.7	0	0	111.5	E21 Q22 A27 C28 L29	E21-E25 PolarHBondContact O-N 3.27Å; Q22-E25 PolarHBondContact O-N 2.79Å; E25-A27 VanDerWaalsContact C-N 3.35Å; E25-A27 PolarHBondContact O-N 2.69Å; E25-C28 PolarHBondContact O-N 3.14Å; E25-L29 WeakPolarHBondContact O-CB 3.34Å; E25-L29 VanDerWaalsContact O-CG 3.27Å; E25-L29 WeakPolarHBondContact O-CG 3.4Å; E25-L29 PolarHBondContact O-N 3.15Å
26	L	72.2	Confident	68.8	Low	93 Å²	93	85.5 Å²	85.5	49%	0.487	46%	0.457	S	S	.	.	H	α-helix	trans	-62.4	-37.7	177.2	-82.8	165.1	0	0	0	112.9	Q22 A23 N24 R30	Q22-L26 WeakPolarHBondContact O-CB 3.37Å; Q22-L26 WeakPolarHBondContact O-CG 3.46Å; Q22-L26 PolarHBondContact O-N 3.35Å; A23-L26 PolarHBondContact O-N 2.97Å; N24-L26 PolarHBondContact O-N 2.9Å; L26-R30 WeakPolarHBondContact O-CB 3.26Å; L26-R30 VanDerWaalsContact O-CG 3.25Å; L26-R30 WeakPolarHBondContact O-CG 3.36Å; L26-R30 PolarHBondContact O-N 3.24Å
27	A	59.3	Low	68.3	Low	51 Å²	51	84 Å²	84	42%	0.421	45%	0.453	S	S	.	.	H	α-helix	trans	-64.9	-45	173.3	0	0	0	0	0	111.3	A23 N24 E25 L29 R30 S31	A23-A27 PolarHBondContact O-N 2.53Å; N24-A27 PolarHBondContact O-N 3.5Å; E25-A27 VanDerWaalsContact C-N 3.35Å; E25-A27 PolarHBondContact O-N 2.69Å; A27-L29 PolarHBondContact O-N 3.26Å; A27-R30 PolarHBondContact O-N 3.05Å; A27-S31 PolarHBondContact O-N 3.09Å
28	C	61.9	Low	67.7	Low	66 Å²	66	79.2 Å²	79.2	45%	0.446	43%	0.431	S	S	.	.	H	α-helix	trans	-65	-38.1	177.5	-152.5	0	0	0	0	112.2	N24 E25 S32	N24-C28 WeakPolarHBondContact O-CB 3.44Å; N24-C28 PolarHBondContact O-N 3.45Å; E25-C28 PolarHBondContact O-N 3.14Å; C28-S32 WeakPolarHBondContact O-CB 3.34Å; C28-S32 PolarHBondContact O-N 3.2Å; C28-S32 PolarHBondContact O-OG 3.4Å
29	L	67.7	Low	67.4	Low	109 Å²	109	80 Å²	80	57%	0.571	43%	0.434	S	S	*	.	H	α-helix	trans	-67.2	-36.7	173.5	-74.2	169.8	0	0	0	112.3	E25 A27 S32 L33	E25-L29 WeakPolarHBondContact O-CB 3.34Å; E25-L29 VanDerWaalsContact O-CG 3.27Å; E25-L29 WeakPolarHBondContact O-CG 3.4Å; E25-L29 PolarHBondContact O-N 3.15Å; A27-L29 PolarHBondContact O-N 3.26Å; L29-S32 PolarHBondContact O-N 2.79Å; L29-L33 VanDerWaalsContact O-CB 3.24Å; L29-L33 WeakPolarHBondContact O-CB 3.36Å; L29-L33 PolarHBondContact O-N 3.22Å
30	R	68.8	Low	66.9	Low	179 Å²	179	80.6 Å²	80.6	68%	0.675	43%	0.431	S	S	*	.	H	α-helix	trans	-64.2	-46.4	173.9	-78.6	168.5	178.6	158.9	-0.8	111.7	L26 A27 L33 A34	L26-R30 WeakPolarHBondContact O-CB 3.26Å; L26-R30 VanDerWaalsContact O-CG 3.25Å; L26-R30 WeakPolarHBondContact O-CG 3.36Å; L26-R30 PolarHBondContact O-N 3.24Å; A27-R30 PolarHBondContact O-N 3.05Å; R30-L33 PolarHBondContact O-N 3.36Å; R30-A34 PolarHBondContact O-N 2.78Å
31	S	59.4	Low	66.8	Low	40 Å²	40	82.2 Å²	82.2	28%	0.28	43%	0.432	S	S	.	.	H	α-helix	trans	-62.6	-44.1	174.5	176.5	0	0	0	0	111.6	A27 L33 A34 D35	A27-S31 PolarHBondContact O-N 3.09Å; S31-L33 VanDerWaalsContact C-N 3.32Å; S31-L33 PolarHBondContact O-N 3.37Å; S31-A34 WeakPolarHBondContact O-CB 3.25Å; S31-A34 PolarHBondContact O-N 2.72Å; S31-D35 PolarHBondContact O-N 2.7Å
32	S	66	Low	66.4	Low	60 Å²	60	81.5 Å²	81.5	42%	0.42	43%	0.431	S	S	.	.	H	α-helix	trans	-61	-38.2	175.1	-56.9	0	0	0	0	112.7	C28 L29 C36	C28-S32 WeakPolarHBondContact O-CB 3.34Å; C28-S32 PolarHBondContact O-N 3.2Å; C28-S32 PolarHBondContact O-OG 3.4Å; L29-S32 PolarHBondContact O-N 2.79Å; S32-C36 PolarHBondContact O-N 2.77Å; S32-C36 PolarHBondContact O-SG 2.9Å
33	L	70.2	Confident	66	Low	104 Å²	104	81.3 Å²	81.3	55%	0.545	43%	0.434	S	S	.	.	H	α-helix	trans	-70.5	-38.2	176	-179.6	61.6	0	0	0	111.6	L29 R30 S31 C36 L37	L29-L33 VanDerWaalsContact O-CB 3.24Å; L29-L33 WeakPolarHBondContact O-CB 3.36Å; L29-L33 PolarHBondContact O-N 3.22Å; R30-L33 PolarHBondContact O-N 3.36Å; S31-L33 VanDerWaalsContact C-N 3.32Å; S31-L33 PolarHBondContact O-N 3.37Å; L33-C36 WeakPolarHBondContact O-CB 3.31Å; L33-C36 PolarHBondContact O-N 3.36Å; L33-L37 HydrophobicContact CD1-CG 4.46Å; L33-L37 HydrophobicContact CG-CD1 4.23Å; L33-L37 VanDerWaalsContact O-CG 3.32Å; L33-L37 WeakPolarHBondContact O-CG 3.3Å; L33-L37 PolarHBondContact O-N 3.04Å
34	A	66	Low	65.8	Low	10 Å²	10	83.9 Å²	83.9	8%	0.083	44%	0.436	C	S	.	.	H	α-helix	trans	-61.6	-44.3	173	0	0	0	0	0	111.5	R30 S31 C36 L37 R38 D762	R30-A34 PolarHBondContact O-N 2.78Å; S31-A34 WeakPolarHBondContact O-CB 3.25Å; S31-A34 PolarHBondContact O-N 2.72Å; A34-C36 PolarHBondContact O-N 2.95Å; A34-L37 PolarHBondContact O-N 3.19Å; A34-R38 WeakPolarHBondContact O-CG 3.41Å; A34-R38 PolarHBondContact O-N 2.85Å; A34-D762 WeakPolarHBondContact CB-OD2 3.28Å
35	D	61	Low	65.8	Low	24 Å²	24	83.7 Å²	83.7	13%	0.128	44%	0.44	C	S	.	.	H	α-helix	trans	-58.9	-45.7	171	-178.1	71.1	0	0	0	112.2	S31 L37 R38 R39 H270	S31-D35 PolarHBondContact O-N 2.7Å; D35-L37 VanDerWaalsContact C-N 3.32Å; D35-L37 PolarHBondContact O-N 3.37Å; D35-R38 PolarHBondContact O-N 3.02Å; D35-R39 WeakPolarHBondContact O-CB 3.46Å; D35-R39 VanDerWaalsContact O-CG 3.29Å; D35-R39 WeakPolarHBondContact O-CG 3.47Å; D35-R39 PolarHBondContact O-N 3.25Å; D35-R39 WeakPolarHBondContact OD2-CD 3.43Å; D35-R39 IonicContact OD2-NE 3.67Å; D35-R39 IonicContact OD2-NH1 3.68Å; D35-R39 PolarHBondContact OD2-NH1 2.82Å; D35-H270 IonicContact OD1-CE1 3.67Å; D35-H270 PolarHBondContact OD1-CE1 2.97Å; D35-H270 IonicContact OD1-ND1 3.72Å; D35-H270 PolarHBondContact OD1-ND1 2.84Å; D35-H270 VanDerWaalsContact OD1-ND1 3.07Å
36	C	69.2	Low	64.9	Low	72 Å²	72	80.1 Å²	80.1	49%	0.486	43%	0.433	S	S	.	.	H	α-helix	trans	-58.1	-42.4	175.8	-69.6	0	0	0	0	112.5	S32 L33 A34 R39 L40	S32-C36 PolarHBondContact O-N 2.77Å; S32-C36 PolarHBondContact O-SG 2.9Å; L33-C36 WeakPolarHBondContact O-CB 3.31Å; L33-C36 PolarHBondContact O-N 3.36Å; A34-C36 PolarHBondContact O-N 2.95Å; C36-R39 PolarHBondContact O-N 2.8Å; C36-L40 WeakPolarHBondContact O-CB 3.48Å; C36-L40 PolarHBondContact O-N 3.05Å
37	L	69.1	Low	63.9	Low	92 Å²	92	85 Å²	85	48%	0.482	45%	0.445	S	S	.	.	H	α-helix	trans	-69.5	-42	177.9	-71.2	170	0	0	0	112.2	L33 A34 D35 R39 L40 N41	L33-L37 HydrophobicContact CD1-CG 4.46Å; L33-L37 HydrophobicContact CG-CD1 4.23Å; L33-L37 VanDerWaalsContact O-CG 3.32Å; L33-L37 WeakPolarHBondContact O-CG 3.3Å; L33-L37 PolarHBondContact O-N 3.04Å; A34-L37 PolarHBondContact O-N 3.19Å; D35-L37 VanDerWaalsContact C-N 3.32Å; D35-L37 PolarHBondContact O-N 3.37Å; L37-R39 VanDerWaalsContact C-N 3.34Å; L37-R39 PolarHBondContact O-N 2.81Å; L37-L40 WeakPolarHBondContact O-CB 3.49Å; L37-L40 PolarHBondContact O-N 2.86Å; L37-N41 PolarHBondContact O-N 2.96Å
38	R	63.9	Low	63.3	Low	29 Å²	29	84.9 Å²	84.9	11%	0.109	45%	0.449	C	S	.	.	H	α-helix	trans	-59.3	-44.7	173	-73.3	-176.4	-69	-130.4	-1.9	111	A34 D35 L40 N41 L42 D762 D765 Y784	A34-R38 WeakPolarHBondContact O-CG 3.41Å; A34-R38 PolarHBondContact O-N 2.85Å; D35-R38 PolarHBondContact O-N 3.02Å; R38-L40 PolarHBondContact O-N 3.23Å; R38-N41 PolarHBondContact O-N 2.83Å; R38-L42 WeakPolarHBondContact O-CG 3.49Å; R38-L42 PolarHBondContact O-N 2.9Å; R38-D762 IonicContact NH1-OD1 3.6Å; R38-D762 IonicContact NH1-OD2 3.08Å; R38-D765 IonicContact CZ-OD1 2.76Å; R38-D765 IonicContact NH1-OD1 3.81Å; R38-D765 PolarHBondContact NH1-OD1 3.22Å; R38-Y784 WeakPolarHBondContact CD-OH 3.34Å; R38-Y784 PolarHBondContact NE-OH 3.09Å; R38-Y784 PolarHBondContact NH1-OH 2.59Å
39	R	67.2	Low	62.4	Low	148 Å²	148	89.2 Å²	89.2	56%	0.558	47%	0.465	S	S	*	.	H	α-helix	trans	-65.3	-36.1	176	-71.8	166.6	63.4	-174.6	0.3	113	D35 C36 L37 L43	D35-R39 WeakPolarHBondContact O-CB 3.46Å; D35-R39 VanDerWaalsContact O-CG 3.29Å; D35-R39 WeakPolarHBondContact O-CG 3.47Å; D35-R39 PolarHBondContact O-N 3.25Å; D35-R39 WeakPolarHBondContact OD2-CD 3.43Å; D35-R39 IonicContact OD2-NE 3.67Å; D35-R39 IonicContact OD2-NH1 3.68Å; D35-R39 PolarHBondContact OD2-NH1 2.82Å; C36-R39 PolarHBondContact O-N 2.8Å; L37-R39 VanDerWaalsContact C-N 3.34Å; L37-R39 PolarHBondContact O-N 2.81Å; R39-L43 VanDerWaalsContact O-CG 3.29Å; R39-L43 WeakPolarHBondContact O-CG 3.34Å; R39-L43 PolarHBondContact O-N 3.47Å; R39-L43 VanDerWaalsContact O-N 3.11Å
40	L	65.6	Low	61.1	Low	85 Å²	85	92.8 Å²	92.8	45%	0.445	48%	0.476	S	S	.	.	H	α-helix	trans	-61.2	-52	171.9	-166.1	88.6	0	0	0	110.7	C36 L37 R38 L42 L43 E44	C36-L40 WeakPolarHBondContact O-CB 3.48Å; C36-L40 PolarHBondContact O-N 3.05Å; L37-L40 WeakPolarHBondContact O-CB 3.49Å; L37-L40 PolarHBondContact O-N 2.86Å; R38-L40 PolarHBondContact O-N 3.23Å; L40-L42 VanDerWaalsContact C-N 3.3Å; L40-L42 PolarHBondContact O-N 3.37Å; L40-L43 WeakPolarHBondContact O-CB 3.39Å; L40-L43 PolarHBondContact O-N 3.05Å; L40-E44 WeakPolarHBondContact O-CG 3.05Å; L40-E44 PolarHBondContact O-N 2.75Å
41	N	63.9	Low	59.6	Low	85 Å²	85	91.4 Å²	91.4	46%	0.455	48%	0.481	S	S	.	.	H	α-helix	trans	-57.8	-40.3	179.1	-73.5	-15.1	0	0	0	112.4	L37 R38 E44 S45	L37-N41 PolarHBondContact O-N 2.96Å; R38-N41 PolarHBondContact O-N 2.83Å; N41-E44 PolarHBondContact O-N 2.8Å; N41-S45 VanDerWaalsContact O-CB 3.3Å; N41-S45 WeakPolarHBondContact O-CB 3.45Å; N41-S45 PolarHBondContact O-N 3.04Å; N41-S45 PolarHBondContact O-OG 2.95Å
42	L	65	Low	58.5	Low	82 Å²	82	98 Å²	98	43%	0.429	51%	0.507	S	S	.	.	H	α-helix	trans	-63.6	-41	174.7	-71.9	169.9	0	0	0	112.3	R38 L40 A46	R38-L42 WeakPolarHBondContact O-CG 3.49Å; R38-L42 PolarHBondContact O-N 2.9Å; L40-L42 VanDerWaalsContact C-N 3.3Å; L40-L42 PolarHBondContact O-N 3.37Å; L42-A46 WeakPolarHBondContact O-CB 3.37Å; L42-A46 PolarHBondContact O-N 2.77Å
43	L	64.4	Low	57	Low	119 Å²	119	100.6 Å²	100.6	62%	0.623	53%	0.525	S	S	*	.	H	α-helix	trans	-69.6	-36.2	177.1	-72	169.7	0	0	0	112.7	R39 L40 R47	R39-L43 VanDerWaalsContact O-CG 3.29Å; R39-L43 WeakPolarHBondContact O-CG 3.34Å; R39-L43 PolarHBondContact O-N 3.47Å; R39-L43 VanDerWaalsContact O-N 3.11Å; L40-L43 WeakPolarHBondContact O-CB 3.39Å; L40-L43 PolarHBondContact O-N 3.05Å; L43-R47 PolarHBondContact O-N 3.41Å
44	E	67	Low	55.4	Low	110 Å²	110	101 Å²	101	51%	0.514	54%	0.537	S	S	.	.	H	α-helix	trans	-68.9	-44.6	174.8	-70.4	-175.4	168.9	0	0	111.5	L40 N41 A46 R47 G48	L40-E44 WeakPolarHBondContact O-CG 3.05Å; L40-E44 PolarHBondContact O-N 2.75Å; N41-E44 PolarHBondContact O-N 2.8Å; E44-A46 VanDerWaalsContact C-N 3.29Å; E44-A46 PolarHBondContact O-N 2.85Å; E44-R47 WeakPolarHBondContact O-CB 3.49Å; E44-R47 PolarHBondContact O-N 2.92Å; E44-G48 PolarHBondContact O-N 2.96Å; E44-G48 VanDerWaalsContact O-N 3.09Å
45	S	61.6	Low	53.8	Low	70 Å²	70	105.8 Å²	105.8	49%	0.49	57%	0.569	S	S	.	*	H	α-helix	trans	-56.3	-43.1	173.2	-59.4	0	0	0	0	111.9	N41 R47 G48 M49	N41-S45 VanDerWaalsContact O-CB 3.3Å; N41-S45 WeakPolarHBondContact O-CB 3.45Å; N41-S45 PolarHBondContact O-N 3.04Å; N41-S45 PolarHBondContact O-OG 2.95Å; S45-R47 VanDerWaalsContact C-N 3.28Å; S45-R47 PolarHBondContact O-N 3.22Å; S45-G48 PolarHBondContact O-N 2.7Å; S45-M49 PolarHBondContact O-N 3.42Å
46	A	53.2	Low	52.5	Low	54 Å²	54	116.5 Å²	116.5	45%	0.446	61%	0.608	S	S	.	*	H	α-helix	trans	-68.7	-21.4	176.9	0	0	0	0	0	114.1	L42 E44	L42-A46 WeakPolarHBondContact O-CB 3.37Å; L42-A46 PolarHBondContact O-N 2.77Å; E44-A46 VanDerWaalsContact C-N 3.29Å; E44-A46 PolarHBondContact O-N 2.85Å
47	R	51.9	Low	50.7	Low	195 Å²	195	123.1 Å²	123.1	74%	0.736	63%	0.629	S	S	*	*	H	α-helix	trans	-79.4	-38.4	171.8	-76.4	178.5	173.1	-175.3	-0.8	111.9	L43 E44 S45 M49 K50	L43-R47 PolarHBondContact O-N 3.41Å; E44-R47 WeakPolarHBondContact O-CB 3.49Å; E44-R47 PolarHBondContact O-N 2.92Å; S45-R47 VanDerWaalsContact C-N 3.28Å; S45-R47 PolarHBondContact O-N 3.22Å; R47-M49 VanDerWaalsContact C-N 3.29Å; R47-M49 PolarHBondContact O-N 3.32Å; R47-K50 PolarHBondContact O-N 3.46Å
48	G	46	Very low	49.1	Very low	50 Å²	50	124.7 Å²	124.7	52%	0.515	65%	0.645	S	S	.	*	H	α-helix	trans	-57.9	-38	178.1	0	0	0	0	0	113.7	E44 S45 K50	E44-G48 PolarHBondContact O-N 2.96Å; E44-G48 VanDerWaalsContact O-N 3.09Å; S45-G48 PolarHBondContact O-N 2.7Å; G48-K50 VanDerWaalsContact C-N 3.28Å; G48-K50 PolarHBondContact O-N 3.06Å
49	M	42.5	Very low	47.7	Very low	157 Å²	157	130.1 Å²	130.1	77%	0.773	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-10.9	-178.6	-62.6	-175.2	-171.7	0	0	114.9	S45 R47	S45-M49 PolarHBondContact O-N 3.42Å; R47-M49 VanDerWaalsContact C-N 3.29Å; R47-M49 PolarHBondContact O-N 3.32Å
50	K	41.5	Very low	46.1	Very low	184 Å²	184	131.1 Å²	131.1	80%	0.8	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	2.6	-178.5	-74.8	-172.9	176.3	179.1	0	115	R47 G48	R47-K50 PolarHBondContact O-N 3.46Å; G48-K50 VanDerWaalsContact C-N 3.28Å; G48-K50 PolarHBondContact O-N 3.06Å
51	L	37.8	Very low	44.9	Very low	150 Å²	150	136.2 Å²	136.2	79%	0.785	72%	0.717	S	S	*	*	S	Bend	trans	-110.9	-1.8	-177.7	-82.5	158.4	0	0	0	115.1
52	H	35.8	Very low	43.4	Very low	177 Å²	177	139.2 Å²	139.2	82%	0.819	73%	0.733	S	S	*	*			trans	-133.7	78.2	176.9	-77.7	-60	0	0	0	113.5
53	S	34.6	Very low	42.1	Very low	115 Å²	115	143.4 Å²	143.4	80%	0.804	76%	0.756	S	S	*	*			trans	-155.7	80.9	160.3	64.9	0	0	0	0	112.8
54	S	35.9	Very low	40.7	Very low	113 Å²	113	140.8 Å²	140.8	79%	0.79	76%	0.758	S	S	*	*			trans	-108.3	117.1	166	47.9	0	0	0	0	111.1
55	S	31.8	Very low	39.3	Very low	110 Å²	110	141.8 Å²	141.8	77%	0.769	77%	0.772	S	S	*	*			trans	43.4	104.5	161	61.2	0	0	0	0	119.7
56	R	34.6	Very low	38.2	Very low	249 Å²	249	145.9 Å²	145.9	94%	0.94	79%	0.788	S	S	*	*			trans	-158	122.5	137.4	-106.2	161.7	-164.2	-153.6	3.1	110.1
57	K	31.8	Very low	37.6	Very low	211 Å²	211	149.5 Å²	149.5	92%	0.917	80%	0.804	S	S	*	*			trans	-91.4	141.5	172.4	-70.1	-178.8	175.6	-178.9	0	109.9
58	P	35.3	Very low	36.9	Very low	126 Å²	126	146.2 Å²	146.2	82%	0.818	81%	0.806	S	S	*	*			trans	-104.8	160.9	155.3	3.6	17.5	0	0	0	112.2
59	V	34.3	Very low	36.4	Very low	142 Å²	142	152 Å²	152	86%	0.861	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-92.2	142.9	-176.4	175.1	0	0	0	0	110.4
60	L	34.6	Very low	36.2	Very low	169 Å²	169	151.6 Å²	151.6	89%	0.885	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-92.2	132.2	171.4	-90	159.3	0	0	0	110.8
61	H	39.7	Very low	36	Very low	192 Å²	192	149.3 Å²	149.3	89%	0.889	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-102	145.9	168.5	-124.9	22.6	0	0	0	109.9
62	N	32.1	Very low	36.1	Very low	149 Å²	149	147.5 Å²	147.5	80%	0.797	82%	0.82	S	S	*	*			trans	-118.5	134.7	-166.8	-173.5	25.2	0	0	0	110
63	N	37.3	Very low	36.1	Very low	170 Å²	170	149.7 Å²	149.7	91%	0.909	82%	0.821	S	S	*	*			trans	-157.8	135.9	158.8	-100.9	-20.3	0	0	0	107.3
64	G	34.4	Very low	36.3	Very low	63 Å²	63	151 Å²	151	65%	0.649	82%	0.824	S	S	*	*			trans	-146.7	-177.1	-170.8	0	0	0	0	0	114
65	T	39.2	Very low	36.2	Very low	132 Å²	132	153 Å²	153	81%	0.81	83%	0.826	S	S	*	*			trans	-170.2	116	163.6	12.9	0	0	0	0	105
66	N	37.2	Very low	36.5	Very low	156 Å²	156	153.4 Å²	153.4	83%	0.834	83%	0.829	S	S	*	*				51.6	128.7	92.6	-71.7	-14.8	0	0	0	112.5
67	V	40.6	Very low	36.4	Very low	130 Å²	130	146.7 Å²	146.7	79%	0.788	82%	0.82	S	S	*	*			cis	-134	161.7	15.7	-152.1	0	0	0	0	106.4
68	T	38.7	Very low	36.6	Very low	125 Å²	125	148.1 Å²	148.1	77%	0.767	82%	0.822	S	S	*	*			cis	-159.6	-161.6	40.5	-44.8	0	0	0	0	110.6
69	K	35.8	Very low	36.6	Very low	173 Å²	173	146.4 Å²	146.4	75%	0.752	81%	0.812	S	S	*	*			trans	-146.1	150.8	175.7	-65.8	171.9	178	168.5	0	111.8
70	T	38.5	Very low	36.6	Very low	148 Å²	148	144.3 Å²	144.3	91%	0.908	80%	0.804	S	S	*	*			trans	-145.7	141.4	135.1	38.4	0	0	0	0	109.9
71	N	36	Very low	36.7	Very low	135 Å²	135	148 Å²	148	72%	0.722	81%	0.806	S	S	*	*			trans	-110.7	147.9	-168.7	-77.2	-42.6	0	0	0	113.5
72	S	39.4	Very low	36.4	Very low	113 Å²	113	149.5 Å²	149.5	79%	0.79	80%	0.804	S	S	*	*			trans	-177.6	98.4	134.4	51.7	0	0	0	0	108.7
73	R	36	Very low	36.6	Very low	223 Å²	223	150.5 Å²	150.5	84%	0.842	80%	0.804	S	S	*	*				40.2	112.7	81.3	-74	-169.9	176.7	179.3	-1.7	114.6
74	T	39.1	Very low	36.4	Very low	141 Å²	141	147.2 Å²	147.2	87%	0.865	79%	0.79	S	S	*	*				-161.5	148.1	94.2	30.2	0	0	0	0	111.8
75	D	33.7	Very low	36.3	Very low	155 Å²	155	151.8 Å²	151.8	83%	0.829	80%	0.8	S	S	*	*			trans	-76.8	159.4	-179.4	-53.7	-85.8	0	0	0	113.9
76	S	38.3	Very low	36.1	Very low	120 Å²	120	150 Å²	150	84%	0.839	79%	0.792	S	S	*	*				-170.2	126.8	113.6	56.4	0	0	0	0	112.2
77	S	32.5	Very low	36	Very low	108 Å²	108	153.7 Å²	153.7	76%	0.755	80%	0.795	S	S	*	*			trans	-88.5	148.4	170.9	56.2	0	0	0	0	111.7
78	Y	36.7	Very low	35.6	Very low	241 Å²	241	154.8 Å²	154.8	95%	0.945	80%	0.796	S	S	*	*			trans	-138.3	146.8	147.9	-133.7	-92.9	0	0	0	112
79	S	34.8	Very low	35.8	Very low	89 Å²	89	154.9 Å²	154.9	62%	0.622	80%	0.799	S	S	*	*			trans	-129.4	141.4	-161.7	176.8	0	0	0	0	112.5
80	S	34.7	Very low	35.6	Very low	99 Å²	99	153 Å²	153	69%	0.692	80%	0.802	S	S	*	*			trans	66.5	131.2	153.7	76.3	0	0	0	0	119.6
81	R	35.8	Very low	35.5	Very low	246 Å²	246	151.9 Å²	151.9	93%	0.928	80%	0.8	S	S	*	*				-163.8	156.2	97.3	-102	174	-179.8	-174.8	-0.3	112.6
82	R	32.9	Very low	35.4	Very low	224 Å²	224	152.5 Å²	152.5	85%	0.845	81%	0.809	S	S	*	*			trans	-91.9	161.6	179.2	-62.5	170.5	171.8	168.9	-4.6	110.9
83	H	37.7	Very low	35	Very low	169 Å²	169	150.2 Å²	150.2	78%	0.782	80%	0.804	S	S	*	*				163.9	101.5	127.6	-89.7	-65.8	0	0	0	109.6
84	T	33.6	Very low	35.1	Very low	102 Å²	102	147.6 Å²	147.6	63%	0.626	80%	0.8	S	S	*	*				74.1	116.4	85.9	57.9	0	0	0	0	117.2
85	N	32.1	Very low	34.8	Very low	159 Å²	159	148.9 Å²	148.9	85%	0.85	80%	0.797	S	S	*	*			trans	66.8	127	149.8	-59.7	-10.2	0	0	0	120.5
86	S	34.2	Very low	34.9	Very low	94 Å²	94	146.9 Å²	146.9	66%	0.657	80%	0.795	S	S	*	*				163.5	124	97.3	-176.4	0	0	0	0	115.6
87	R	34.3	Very low	34.8	Very low	234 Å²	234	149.7 Å²	149.7	88%	0.883	79%	0.792	S	S	*	*			trans	66.9	127.9	144.6	-70.4	173.2	-178	169.8	-0.6	123.1
88	N	33.6	Very low	35	Very low	153 Å²	153	151.6 Å²	151.6	82%	0.818	79%	0.794	S	S	*	*			trans	-61.6	165.8	150	-66.6	-11.2	0	0	0	111.8
89	P	42.8	Very low	35	Very low	126 Å²	126	144.8 Å²	144.8	82%	0.818	78%	0.781	S	S	*	*				-138.1	156.6	117.7	37.7	-27.4	0	0	0	115
90	T	30.5	Very low	35.1	Very low	134 Å²	134	151.1 Å²	151.1	82%	0.822	79%	0.792	S	S	*	*			trans	-87.1	138.9	166.8	47.3	0	0	0	0	111.4
91	S	37.7	Very low	35.3	Very low	125 Å²	125	152.9 Å²	152.9	87%	0.874	79%	0.793	S	S	*	*			trans	-154.9	151.6	153.4	62.2	0	0	0	0	113.1
92	T	32.4	Very low	35.3	Very low	147 Å²	147	146.5 Å²	146.5	90%	0.902	79%	0.786	S	S	*	*			trans	-96.3	160.1	-173.6	44.9	0	0	0	0	112.7
93	G	32.6	Very low	35.2	Very low	66 Å²	66	140.9 Å²	140.9	68%	0.68	78%	0.781	S	S	*	*			trans	155.3	106.4	155.2	0	0	0	0	0	120.1
94	H	37.9	Very low	35.1	Very low	167 Å²	167	141 Å²	141	77%	0.773	79%	0.787	S	S	*	*			trans	66.8	99.6	143.1	-67.6	-77.9	0	0	0	124.8
95	Q	31.9	Very low	35	Very low	169 Å²	169	142 Å²	142	79%	0.79	79%	0.792	S	S	*	*				57	126.4	113.4	-67.4	-176.6	4.4	0	0	124.3
96	S	36.4	Very low	35.2	Very low	113 Å²	113	141 Å²	141	79%	0.79	79%	0.791	S	S	*	*			trans	127.6	146.6	132.7	78.5	0	0	0	0	114
97	K	36.6	Very low	35.6	Very low	178 Å²	178	140.7 Å²	140.7	77%	0.774	79%	0.788	S	S	*	*			cis	-163.4	145.9	-15.2	-122.4	180	-179.9	175.5	0	109.5
98	N	35.4	Very low	35.7	Very low	149 Å²	149	138.2 Å²	138.2	80%	0.797	79%	0.786	S	S	*	*			trans	64.9	149.5	159.7	-56.2	-8.3	0	0	0	117.2
99	S	37.4	Very low	35.9	Very low	97 Å²	97	136.5 Å²	136.5	68%	0.678	79%	0.785	S	S	*	*			cis	-159.3	144.5	26.1	51.5	0	0	0	0	114.5
100	R	36.9	Very low	35.4	Very low	223 Å²	223	136.8 Å²	136.8	84%	0.842	79%	0.785	S	S	*	*			trans	58.1	148.5	141.6	-64.3	-174.9	177.8	158.6	-0.6	119.9
101	D	38	Very low	35.6	Very low	136 Å²	136	137.9 Å²	137.9	73%	0.727	79%	0.792	S	S	*	*			cis	-168	158.6	-11.4	-97.7	-19.9	0	0	0	106.1
102	S	36	Very low	35.4	Very low	112 Å²	112	136.7 Å²	136.7	78%	0.783	79%	0.789	S	S	*	*			cis	-161	-163.6	-6.7	56.8	0	0	0	0	109.2
103	S	31.8	Very low	35.6	Very low	106 Å²	106	135.6 Å²	135.6	74%	0.741	79%	0.788	S	S	*	*			trans	-144.2	162.9	169.6	62.4	0	0	0	0	109.7
104	L	34.7	Very low	35.5	Very low	172 Å²	172	138.7 Å²	138.7	90%	0.901	79%	0.794	S	S	*	*			trans	-163.8	150.8	156.2	-109.3	162.5	0	0	0	113.8
105	V	31.9	Very low	35.3	Very low	122 Å²	122	137.5 Å²	137.5	74%	0.739	80%	0.798	S	S	*	*			trans	-122.9	154.2	-175.4	168.2	0	0	0	0	108.8
106	V	37.1	Very low	35.2	Very low	137 Å²	137	133.2 Å²	133.2	83%	0.83	79%	0.792	S	S	*	*			trans	-136.4	129.5	167.9	-174.7	0	0	0	0	111.6
107	P	41.2	Very low	34.9	Very low	89 Å²	89	139.1 Å²	139.1	58%	0.578	80%	0.797	S	S	*	*			trans	-116.1	-171.6	173	41.7	-32.3	0	0	0	113.9
108	H	38.2	Very low	34.6	Very low	182 Å²	182	136.4 Å²	136.4	84%	0.843	80%	0.796	S	S	*	*			trans	105.8	147.6	174.9	-61.2	-40.1	0	0	0	115.4
109	S	36.5	Very low	34.2	Very low	116 Å²	116	140.3 Å²	140.3	81%	0.811	80%	0.799	S	S	*	*			cis	-159.8	171.3	-3.5	37.6	0	0	0	0	112.4
110	T	31.7	Very low	34	Very low	132 Å²	132	144.4 Å²	144.4	81%	0.81	81%	0.812	S	S	*	*			trans	-85.1	150.4	-174.2	49.7	0	0	0	0	117
111	T	36.1	Very low	33.6	Very low	157 Å²	157	143.8 Å²	143.8	96%	0.963	82%	0.816	S	S	*	*			trans	-160.3	160	134.8	11.1	0	0	0	0	111.6
112	A	32.5	Very low	33.1	Very low	100 Å²	100	142.4 Å²	142.4	83%	0.826	82%	0.817	S	S	*	*			trans	-121.2	151	-170.7	0	0	0	0	0	113.3
113	S	36.6	Very low	33	Very low	125 Å²	125	143.2 Å²	143.2	87%	0.874	82%	0.82	S	S	*	*			trans	-156.9	150.9	149.1	59.8	0	0	0	0	111.7
114	T	30.1	Very low	32.9	Very low	130 Å²	130	146.7 Å²	146.7	80%	0.798	82%	0.824	S	S	*	*			trans	-97.3	143.3	-173	37.9	0	0	0	0	112.2
115	T	33.8	Very low	32.5	Very low	142 Å²	142	144.2 Å²	144.2	87%	0.871	82%	0.821	S	S	*	*				-175.5	124.5	122.9	19.2	0	0	0	0	115.6
116	A	30.7	Very low	32.3	Very low	79 Å²	79	144.1 Å²	144.1	65%	0.653	82%	0.821	S	S	*	*			trans	43.5	120.4	136.8	0	0	0	0	0	124
117	R	29.1	Very low	31.7	Very low	238 Å²	238	148.9 Å²	148.9	90%	0.898	82%	0.823	S	S	*	*			trans	67.8	138.3	137.2	-60	173.6	179.7	-179.1	-0.1	116.6
118	T	31.4	Very low	31.1	Very low	121 Å²	121	152.5 Å²	152.5	74%	0.742	84%	0.837	S	S	*	*			cis	-162.4	144.7	24.3	-16.8	0	0	0	0	112.5
119	R	27.5	Very low	30.5	Very low	231 Å²	231	148.1 Å²	148.1	87%	0.872	83%	0.827	S	S	*	*			trans	22.3	123.5	153	-66.6	176.5	178.8	-168.3	-0	120.6
120	L	32.7	Very low	30	Very low	183 Å²	183	148.7 Å²	148.7	96%	0.958	83%	0.831	S	S	*	*				-158.8	155.6	114.8	-102.4	156.7	0	0	0	109.7
121	K	28	Very low	29.9	Very low	209 Å²	209	146.9 Å²	146.9	91%	0.909	82%	0.824	S	S	*	*			trans	-104.3	135.9	-165.2	-66.5	178.3	175.9	-178.8	0	112.6
122	S	26.8	Very low	29.5	Very low	107 Å²	107	145.1 Å²	145.1	75%	0.748	82%	0.818	S	S	*	*			trans	-107.9	143.1	156.3	51.6	0	0	0	0	110.1
123	P	35.4	Very low	29.4	Very low	130 Å²	130	146.7 Å²	146.7	84%	0.844	82%	0.817	S	S	*	*			trans	-73.9	144.9	172.1	-11.6	28.1	0	0	0	111.3
124	Q	27.9	Very low	29	Very low	179 Å²	179	147.3 Å²	147.3	84%	0.836	82%	0.816	S	S	*	*			trans	-80.4	143.9	-179.7	-65.6	166.3	-54.6	0	0	111.5	V126	Q124-V126 PolarHBondContact O-N 2.89Å; Q124-V126 VanDerWaalsContact O-N 3.14Å
125	S	26.5	Very low	29.1	Very low	120 Å²	120	149.4 Å²	149.4	84%	0.839	82%	0.822	S	S	*	*			trans	-64	108.8	166.3	58.5	0	0	0	0	110.2
126	V	29.2	Very low	28.8	Very low	120 Å²	120	150.1 Å²	150.1	73%	0.727	82%	0.82	S	S	*	*			trans	-85.8	118.4	175.9	-177.1	0	0	0	0	109.4	Q124 L128	Q124-V126 PolarHBondContact O-N 2.89Å; Q124-V126 VanDerWaalsContact O-N 3.14Å; V126-L128 PolarHBondContact O-N 2.91Å
127	R	24.6	Very low	28.9	Very low	236 Å²	236	154.2 Å²	154.2	89%	0.891	83%	0.831	S	S	*	*			trans	-63.4	121.6	169.4	-63.9	173.7	177.9	173.7	-2.6	109	S129	R127-S129 PolarHBondContact O-N 2.86Å
128	L	27.4	Very low	29	Very low	165 Å²	165	152 Å²	152	86%	0.864	83%	0.831	S	S	*	*			trans	-96.4	90.7	169.1	-82.4	162.6	0	0	0	110.2	V126	V126-L128 PolarHBondContact O-N 2.91Å
129	S	26.6	Very low	29	Very low	91 Å²	91	149.7 Å²	149.7	64%	0.636	83%	0.831	S	S	*	*			trans	-66.5	140.3	159.6	50	0	0	0	0	110.1	R127 S131	R127-S129 PolarHBondContact O-N 2.86Å; S129-S131 PolarHBondContact O-N 2.93Å
130	S	26	Very low	29.1	Very low	127 Å²	127	146.1 Å²	146.1	89%	0.888	84%	0.835	S	S	*	*			trans	-56.3	115.5	171.1	53.4	0	0	0	0	111.9
131	S	29	Very low	29	Very low	94 Å²	94	141 Å²	141	66%	0.657	83%	0.826	S	S	*	*			trans	-137.2	106.2	170.2	45.2	0	0	0	0	110.6	S129 T133	S129-S131 PolarHBondContact O-N 2.93Å; S131-T133 PolarHBondContact O-N 3.11Å
132	S	27.7	Very low	29	Very low	121 Å²	121	138.1 Å²	138.1	85%	0.846	83%	0.826	S	S	*	*			trans	-70.7	118.1	171.2	52.2	0	0	0	0	110.7
133	T	30.3	Very low	29.2	Very low	132 Å²	132	138.7 Å²	138.7	81%	0.81	83%	0.83	S	S	*	*			trans	-115.4	97.5	170.7	31.1	0	0	0	0	110.9	S131	S131-T133 PolarHBondContact O-N 3.11Å
134	T	27.9	Very low	28.8	Very low	139 Å²	139	136.5 Å²	136.5	85%	0.853	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-68.1	129.3	165.1	44.8	0	0	0	0	110.4
135	L	32	Very low	28.9	Very low	174 Å²	174	132.8 Å²	132.8	91%	0.911	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-91.5	139.1	168.4	-96	155.7	0	0	0	110.7
136	N	28.1	Very low	28.9	Very low	157 Å²	157	133.2 Å²	133.2	84%	0.84	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-58.6	141.2	-175.4	-73	-36.1	0	0	0	113.2
137	N	33.3	Very low	28.8	Very low	164 Å²	164	135.3 Å²	135.3	88%	0.877	84%	0.835	S	S	*	*			trans	-143.1	148.7	135	-138.7	-7.6	0	0	0	111.2
138	Q	30.6	Very low	29	Very low	191 Å²	191	132.1 Å²	132.1	89%	0.893	83%	0.83	S	S	*	*			trans	-82.9	141.6	-167	-61.6	169.2	-14.1	0	0	112.1
139	G	30.7	Very low	29.1	Very low	73 Å²	73	131.1 Å²	131.1	75%	0.753	83%	0.831	S	S	*	*			trans	162	84.5	170.1	0	0	0	0	0	117.5
140	V	30.6	Very low	29.6	Very low	157 Å²	157	131.3 Å²	131.3	95%	0.952	83%	0.832	S	S	*	*			trans	26	124.6	145.3	-169.3	0	0	0	0	120
141	G	30.9	Very low	30.9	Very low	74 Å²	74	129.5 Å²	129.5	76%	0.763	82%	0.82	S	S	*	*			trans	142.9	115.1	150	0	0	0	0	0	115.7
142	V	28.5	Very low	32.9	Very low	150 Å²	150	131.4 Å²	131.4	91%	0.909	82%	0.817	S	S	*	*			trans	-97.1	126.4	-179.7	176.6	0	0	0	0	111.4
143	S	30.2	Very low	35.4	Very low	119 Å²	119	132.5 Å²	132.5	83%	0.832	81%	0.808	S	S	*	*			trans	-171.9	138.9	141.3	36.2	0	0	0	0	110.2
144	G	26.5	Very low	38.2	Very low	83 Å²	83	127.9 Å²	127.9	86%	0.856	78%	0.78	S	S	*	*			trans	-93.8	148.1	-173.5	0	0	0	0	0	113.6
145	A	29.5	Very low	41.3	Very low	102 Å²	102	123.8 Å²	123.8	84%	0.843	76%	0.755	S	S	*	*			trans	-144.1	147.1	163.1	0	0	0	0	0	109.9
146	T	27.9	Very low	44.2	Very low	129 Å²	129	117.4 Å²	117.4	79%	0.791	72%	0.719	S	S	*	*			trans	-72.8	136.5	-172.6	38.3	0	0	0	0	113.3	Q148	T146-Q148 PolarHBondContact O-N 2.96Å; T146-Q148 VanDerWaalsContact O-N 3.1Å
147	N	27	Very low	47.2	Very low	164 Å²	164	112.4 Å²	112.4	88%	0.877	69%	0.692	S	S	*	*			trans	-66.9	106.3	169.9	-86.6	-17.3	0	0	0	110.8
148	Q	28	Very low	49.8	Very low	168 Å²	168	108.5 Å²	108.5	79%	0.785	68%	0.675	S	S	*	*			trans	-95	123	153.1	-69.8	-176	-1.8	0	0	108.1	T146 S150	T146-Q148 PolarHBondContact O-N 2.96Å; T146-Q148 VanDerWaalsContact O-N 3.1Å; Q148-S150 VanDerWaalsContact C-N 3.26Å; Q148-S150 PolarHBondContact O-N 2.81Å
149	T	30.7	Very low	52.5	Low	145 Å²	145	103 Å²	103	89%	0.89	67%	0.671	S	S	*	*			trans	-77.3	75.3	175.3	44.7	0	0	0	0	110.4
150	S	35.7	Very low	55.3	Low	94 Å²	94	104.2 Å²	104.2	66%	0.657	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-81.6	142.3	164.9	52.4	0	0	0	0	110.4	Q148 K152	Q148-S150 VanDerWaalsContact C-N 3.26Å; Q148-S150 PolarHBondContact O-N 2.81Å; S150-K152 PolarHBondContact O-N 3.06Å
151	S	54	Low	58.2	Low	90 Å²	90	96.8 Å²	96.8	63%	0.629	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-59.9	117.4	169.9	52.5	0	0	0	0	109	E153	S151-E153 PolarHBondContact O-N 2.86Å
152	K	70.9	Confident	61.2	Low	134 Å²	134	93.9 Å²	93.9	58%	0.583	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-64.6	122.7	178.4	-68.2	-179.7	-179.7	173.4	0	109.4	S150 Y166	S150-K152 PolarHBondContact O-N 3.06Å; K152-Y166 HydrophobicContact CB-CD1 4Å; K152-Y166 HydrophobicContact CB-CD2 3.55Å; K152-Y166 HydrophobicContact CB-CE1 4.03Å; K152-Y166 HydrophobicContact CB-CE2 3.6Å; K152-Y166 HydrophobicContact CB-CG 3.77Å; K152-Y166 HydrophobicContact CD-CD1 3.93Å; K152-Y166 HydrophobicContact CD-CE1 3.49Å; K152-Y166 VanDerWaalsContact CD-CE1 3.49Å; K152-Y166 HydrophobicContact CD-CE2 4.43Å; K152-Y166 HydrophobicContact CG-CE1 4.41Å; K152-Y166 WeakPolarHBondContact O-CD2 3.31Å
153	E	80.5	Confident	64.4	Low	143 Å²	143	86.8 Å²	86.8	67%	0.668	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-69.6	155.6	179.1	-62.4	-163.8	131.4	0	0	111.6	S151 Y166	S151-E153 PolarHBondContact O-N 2.86Å; E153-Y166 VanDerWaalsContact O-CE2 3.27Å; E153-Y166 WeakPolarHBondContact O-CE2 3.42Å
154	T	89	Confident	67.3	Low	35 Å²	35	84.4 Å²	84.4	22%	0.215	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-63.4	138.8	173.3	-63.6	0	0	0	0	109.5	L163 R164 F165 L186 P797	T154-L163 HydrophobicContact CG2-CD1 3.6Å; T154-L163 HydrophobicContact CG2-CG 4.1Å; T154-R164 CarbonylContact C-O 3.55Å; T154-R164 WeakPolarHBondContact CA-O 3.44Å; T154-F165 HydrophobicContact CG2-CB 4.14Å; T154-L186 HydrophobicContact CG2-CD1 4.21Å; T154-L186 HydrophobicContact CG2-CD2 4.48Å; T154-L186 WeakPolarHBondContact O-CD2 3.36Å; T154-P797 HydrophobicContact CG2-CB 4.43Å; T154-P797 HydrophobicContact CG2-CG 4.43Å
155	T	92	Very high	70.3	Confident	54 Å²	54	80.8 Å²	80.8	33%	0.331	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	142.3	-177.6	48.2	0	0	0	0	110.7	R164	T155-R164 PolarHBondContact N-O 2.92Å; T155-R164 PolarHBondContact O-N 2.82Å
156	Y	92.8	Very high	73.1	Confident	40 Å²	40	78.9 Å²	78.9	16%	0.157	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	134.3	171.1	175.8	-141.2	0	0	0	109.1	P158 I162 M176 M181 Y184	Y156-P158 HydrophobicContact CD1-CG 3.92Å; Y156-P158 HydrophobicContact CE1-CB 3.99Å; Y156-P158 HydrophobicContact CE1-CG 3.78Å; Y156-P158 HydrophobicContact CG-CG 4.49Å; Y156-P158 WeakPolarHBondContact O-CD 3.29Å; Y156-I162 WeakPolarHBondContact CD2-O 3.38Å; Y156-M176 HydrophobicContact CD2-CE 3.8Å; Y156-M176 HydrophobicContact CE1-CE 4.28Å; Y156-M176 HydrophobicContact CE2-CE 3.16Å; Y156-M176 VanDerWaalsContact CZ-CE 3.43Å; Y156-M181 WeakPolarHBondContact OH-CA 3.33Å; Y156-M181 PolarHBondContact OH-O 2.81Å; Y156-Y184 AromaticContact CD1-CD1 3.78Å; Y156-Y184 HydrophobicContact CD1-CD1 3.78Å; Y156-Y184 HydrophobicContact CD1-CE1 4.49Å; Y156-Y184 HydrophobicContact CD2-CD1 4.26Å; Y156-Y184 AromaticContact CE1-CD1 3.95Å; Y156-Y184 HydrophobicContact CE1-CD1 3.95Å; Y156-Y184 HydrophobicContact CE2-CD1 4.48Å; Y156-Y184 AromaticContact CG-CD1 3.95Å; Y156-Y184 HydrophobicContact CG-CD1 3.95Å; Y156-Y184 HydrophobicContact CG-CE1 4.29Å
157	L	92.5	Very high	75.8	Confident	52 Å²	52	72.8 Å²	72.8	27%	0.272	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	93.5	176	-58.4	176.7	0	0	0	108.4	G159 D160 G161 I162	L157-G159 VanDerWaalsContact C-N 3.33Å; L157-G159 PolarHBondContact O-N 2.78Å; L157-D160 PolarHBondContact O-N 2.62Å; L157-G161 PolarHBondContact O-N 3.2Å; L157-I162 HydrophobicContact CB-CB 4.23Å; L157-I162 HydrophobicContact CD1-CB 4.31Å; L157-I162 HydrophobicContact CD1-CG2 4.3Å; L157-I162 PolarHBondContact N-O 2.87Å; L157-I162 PolarHBondContact O-N 2.59Å; L157-I162 VanDerWaalsContact O-N 3.16Å
158	P	88	Confident	78.3	Confident	81 Å²	81	71.9 Å²	71.9	53%	0.526	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-33.1	-170.2	-23	33.4	0	0	0	114.4	Y156 D160 G161 M181	Y156-P158 HydrophobicContact CD1-CG 3.92Å; Y156-P158 HydrophobicContact CE1-CB 3.99Å; Y156-P158 HydrophobicContact CE1-CG 3.78Å; Y156-P158 HydrophobicContact CG-CG 4.49Å; Y156-P158 WeakPolarHBondContact O-CD 3.29Å; P158-D160 VanDerWaalsContact C-N 3.32Å; P158-D160 PolarHBondContact O-N 3.07Å; P158-G161 PolarHBondContact O-N 3.13Å; P158-M181 WeakPolarHBondContact O-CE 3.34Å
159	G	86.6	Confident	80.9	Confident	77 Å²	77	66 Å²	66	79%	0.794	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-36.1	-177.8	0	0	0	0	0	113.9	L157	L157-G159 VanDerWaalsContact C-N 3.33Å; L157-G159 PolarHBondContact O-N 2.78Å
160	D	88.7	Confident	83.5	Confident	98 Å²	98	63.9 Å²	63.9	52%	0.524	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-11.4	179.5	-57.7	-52.8	0	0	0	112.7	L157 P158 I162 R738	L157-D160 PolarHBondContact O-N 2.62Å; P158-D160 VanDerWaalsContact C-N 3.32Å; P158-D160 PolarHBondContact O-N 3.07Å; D160-I162 HydrophobicContact CB-CB 4.42Å; D160-I162 HydrophobicContact CB-CD1 3.56Å; D160-I162 HydrophobicContact CB-CG1 3.71Å; D160-R738 PolarHBondContact O-NH1 3.1Å; D160-R738 PolarHBondContact O-NH2 2.95Å
161	G	92.7	Very high	86.1	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	37.2	-169.4	0	0	0	0	0	112.9	L157 P158 M176 M181	L157-G161 PolarHBondContact O-N 3.2Å; P158-G161 PolarHBondContact O-N 3.13Å; G161-M176 WeakPolarHBondContact O-CB 3.43Å; G161-M176 PolarHBondContact O-N 2.77Å; G161-M181 VanDerWaalsContact CA-CE 3.47Å
162	I	94.4	Very high	87.9	Confident	13 Å²	13	58.5 Å²	58.5	7%	0.067	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.7	-177.5	-65.7	170.2	0	0	0	110.2	Y156 L157 D160 N173 V174 Y175	Y156-I162 WeakPolarHBondContact CD2-O 3.38Å; L157-I162 HydrophobicContact CB-CB 4.23Å; L157-I162 HydrophobicContact CD1-CB 4.31Å; L157-I162 HydrophobicContact CD1-CG2 4.3Å; L157-I162 PolarHBondContact N-O 2.87Å; L157-I162 PolarHBondContact O-N 2.59Å; L157-I162 VanDerWaalsContact O-N 3.16Å; D160-I162 HydrophobicContact CB-CB 4.42Å; D160-I162 HydrophobicContact CB-CD1 3.56Å; D160-I162 HydrophobicContact CB-CG1 3.71Å; I162-N173 HydrophobicContact CG2-CB 3.73Å; I162-V174 WeakPolarHBondContact CA-O 3.5Å; I162-Y175 HydrophobicContact CD1-CD1 4.34Å; I162-Y175 HydrophobicContact CD1-CE1 3.7Å; I162-Y175 HydrophobicContact CG1-CD1 3.75Å; I162-Y175 HydrophobicContact CG1-CE1 3.63Å
163	L	93.8	Very high	89	Confident	1 Å²	1	55 Å²	55	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	124.2	161.5	-176	71.9	0	0	0	108.4	T154 V174 Y184 L186 W751 A754 N795	T154-L163 HydrophobicContact CG2-CD1 3.6Å; T154-L163 HydrophobicContact CG2-CG 4.1Å; L163-V174 HydrophobicContact CB-CG2 3.89Å; L163-V174 HydrophobicContact CD2-CG2 4.27Å; L163-V174 HydrophobicContact CG-CG2 4.43Å; L163-V174 PolarHBondContact N-O 2.85Å; L163-V174 WeakPolarHBondContact O-CG2 3.05Å; L163-V174 PolarHBondContact O-N 3.25Å; L163-Y184 HydrophobicContact CD1-CE1 4.19Å; L163-L186 HydrophobicContact CD1-CD1 3.74Å; L163-W751 HydrophobicContact CB-CE3 3.92Å; L163-W751 HydrophobicContact CB-CZ3 3.81Å; L163-W751 HydrophobicContact CD2-CE3 3.89Å; L163-W751 HydrophobicContact CD2-CZ3 3.77Å; L163-W751 HydrophobicContact CG-CZ3 4.28Å; L163-A754 HydrophobicContact CD2-CB 3.71Å; L163-N795 WeakPolarHBondContact CD2-O 3.24Å
164	R	93	Very high	89.6	Confident	69 Å²	69	48.4 Å²	48.4	26%	0.26	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	109.2	177.8	174.1	178.7	-65.4	155.5	7.7	109.7	T154 T155 Y166 P171 V172 N173	T154-R164 CarbonylContact C-O 3.55Å; T154-R164 WeakPolarHBondContact CA-O 3.44Å; T155-R164 PolarHBondContact N-O 2.92Å; T155-R164 PolarHBondContact O-N 2.82Å; R164-Y166 WeakPolarHBondContact CD-OH 3.48Å; R164-Y166 HydrophobicContact CG-CE2 4.12Å; R164-P171 HydrophobicContact CG-CB 4Å; R164-V172 WeakPolarHBondContact CA-O 3.38Å; R164-N173 PolarHBondContact NE-OD1 3.01Å; R164-N173 PolarHBondContact NH2-OD1 3.03Å; R164-N173 VanDerWaalsContact NH2-OD1 3.14Å
165	F	89.6	Confident	89.9	Confident	7 Å²	7	49.7 Å²	49.7	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	176.4	167.7	63.2	-80.6	0	0	0	110	T154 I167 P171 V172 V174 L749 A754	T154-F165 HydrophobicContact CG2-CB 4.14Å; F165-I167 HydrophobicContact CD2-CG1 4.21Å; F165-I167 HydrophobicContact CE2-CD1 3.85Å; F165-I167 HydrophobicContact CE2-CG1 4.05Å; F165-P171 WeakPolarHBondContact O-CA 3.44Å; F165-V172 HydrophobicContact CD1-CB 4.35Å; F165-V172 HydrophobicContact CD2-CB 4.27Å; F165-V172 HydrophobicContact CE1-CB 3.99Å; F165-V172 HydrophobicContact CE1-CG1 3.81Å; F165-V172 HydrophobicContact CE2-CB 3.9Å; F165-V172 HydrophobicContact CE2-CG1 4.13Å; F165-V172 HydrophobicContact CE2-CG2 4.24Å; F165-V172 HydrophobicContact CG-CB 4.48Å; F165-V172 HydrophobicContact CZ-CB 3.75Å; F165-V172 HydrophobicContact CZ-CG1 3.53Å; F165-V172 HydrophobicContact CZ-CG2 4.46Å; F165-V172 PolarHBondContact N-O 3.23Å; F165-V172 VanDerWaalsContact N-O 3.13Å; F165-V172 PolarHBondContact O-N 2.97Å; F165-V174 HydrophobicContact CD1-CG2 4.32Å; F165-V174 HydrophobicContact CE1-CG1 3.82Å; F165-V174 HydrophobicContact CE1-CG2 3.94Å; F165-V174 HydrophobicContact CZ-CG1 4.49Å; F165-L749 HydrophobicContact CE2-CD2 4.03Å; F165-L749 HydrophobicContact CZ-CD2 4.01Å; F165-A754 HydrophobicContact CD1-CB 3.87Å; F165-A754 HydrophobicContact CE1-CB 3.81Å; F165-A754 HydrophobicContact CZ-CB 4.45Å
166	Y	88	Confident	89.9	Confident	62 Å²	62	47.1 Å²	47.1	24%	0.243	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	124.4	-173.6	-67.3	-89	0	0	0	110.8	K152 E153 R164 R170 P171	K152-Y166 HydrophobicContact CB-CD1 4Å; K152-Y166 HydrophobicContact CB-CD2 3.55Å; K152-Y166 HydrophobicContact CB-CE1 4.03Å; K152-Y166 HydrophobicContact CB-CE2 3.6Å; K152-Y166 HydrophobicContact CB-CG 3.77Å; K152-Y166 HydrophobicContact CD-CD1 3.93Å; K152-Y166 HydrophobicContact CD-CE1 3.49Å; K152-Y166 VanDerWaalsContact CD-CE1 3.49Å; K152-Y166 HydrophobicContact CD-CE2 4.43Å; K152-Y166 HydrophobicContact CG-CE1 4.41Å; K152-Y166 WeakPolarHBondContact O-CD2 3.31Å; E153-Y166 VanDerWaalsContact O-CE2 3.27Å; E153-Y166 WeakPolarHBondContact O-CE2 3.42Å; R164-Y166 WeakPolarHBondContact CD-OH 3.48Å; R164-Y166 HydrophobicContact CG-CE2 4.12Å; Y166-R170 WeakPolarHBondContact CA-O 3.21Å; Y166-P171 HydrophobicContact CD1-CB 4.04Å; Y166-P171 HydrophobicContact CE1-CB 3.65Å; Y166-P171 HydrophobicContact CE1-CG 4.41Å
167	I	84.9	Confident	90	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.1	171.4	-70.2	-178.2	0	0	0	107.7	F165 G169 R170 Y718 L749 W757 G763	F165-I167 HydrophobicContact CD2-CG1 4.21Å; F165-I167 HydrophobicContact CE2-CD1 3.85Å; F165-I167 HydrophobicContact CE2-CG1 4.05Å; I167-G169 PolarHBondContact O-N 3.06Å; I167-R170 PolarHBondContact N-O 3Å; I167-R170 WeakPolarHBondContact O-CB 3.15Å; I167-R170 PolarHBondContact O-N 2.75Å; I167-Y718 HydrophobicContact CB-CD2 4.48Å; I167-Y718 HydrophobicContact CB-CG 4.47Å; I167-Y718 HydrophobicContact CG2-CD1 4.03Å; I167-Y718 HydrophobicContact CG2-CD2 3.7Å; I167-Y718 HydrophobicContact CG2-CE1 4.15Å; I167-Y718 HydrophobicContact CG2-CE2 3.83Å; I167-Y718 HydrophobicContact CG2-CG 3.81Å; I167-L749 HydrophobicContact CD1-CD2 3.48Å; I167-L749 VanDerWaalsContact CD1-CD2 3.48Å; I167-W757 HydrophobicContact CD1-CD2 4.17Å; I167-W757 HydrophobicContact CD1-CG 4.46Å; I167-W757 HydrophobicContact CD1-CZ2 4.44Å; I167-G763 VanDerWaalsContact CG2-CA 3.43Å
168	R	79.4	Confident	90.1	Very high	145 Å²	145	47.7 Å²	47.7	55%	0.547	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	47	28.9	-171.9	-64	-175.5	169.7	156.7	5.5	113.7	R170 Y718 D762	R168-R170 VanDerWaalsContact C-N 3.28Å; R168-R170 PolarHBondContact O-N 3.42Å; R168-Y718 PolarHBondContact NH1-OH 3.38Å; R168-D762 VanDerWaalsContact CD-O 3.28Å; R168-D762 WeakPolarHBondContact CD-O 3.43Å; R168-D762 HydrophobicContact CG-CB 4.25Å; R168-D762 VanDerWaalsContact CG-O 3.29Å; R168-D762 WeakPolarHBondContact CG-O 3.32Å; R168-D762 IonicContact CZ-OD2 2.98Å; R168-D762 PolarHBondContact NE-O 2.68Å; R168-D762 IonicContact NE-OD2 2.69Å; R168-D762 VanDerWaalsContact NH2-CG 3.33Å; R168-D762 PolarHBondContact NH2-O 2.74Å; R168-D762 IonicContact NH2-OD1 3.31Å; R168-D762 IonicContact NH2-OD2 3.2Å; R168-D762 PolarHBondContact NH2-OD2 2.54Å
169	G	81.7	Confident	90.3	Very high	45 Å²	45	52.1 Å²	52.1	46%	0.464	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	-6.1	-175	0	0	0	0	0	116.4	I167	I167-G169 PolarHBondContact O-N 3.06Å
170	R	85.2	Confident	90.5	Very high	99 Å²	99	51.4 Å²	51.4	37%	0.374	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	126.5	168.4	-174.8	179.6	-176.9	165.1	4.7	108.5	Y166 I167 R168 V172 D717 E719	Y166-R170 WeakPolarHBondContact CA-O 3.21Å; I167-R170 PolarHBondContact N-O 3Å; I167-R170 WeakPolarHBondContact O-CB 3.15Å; I167-R170 PolarHBondContact O-N 2.75Å; R168-R170 VanDerWaalsContact C-N 3.28Å; R168-R170 PolarHBondContact O-N 3.42Å; R170-V172 PolarHBondContact O-N 3.27Å; R170-D717 IonicContact CZ-OD2 3.63Å; R170-D717 PolarHBondContact NH1-O 2.95Å; R170-D717 IonicContact NH1-OD2 3.25Å; R170-D717 PolarHBondContact NH1-OD2 3.49Å; R170-D717 IonicContact NH2-OD2 3.86Å; R170-E719 IonicContact CZ-OE1 3.67Å; R170-E719 IonicContact NH1-OE1 2.69Å; R170-E719 IonicContact NH2-OE1 3.8Å; R170-E719 PolarHBondContact NH2-OE1 2.81Å
171	P	90.3	Very high	90.7	Very high	64 Å²	64	48.7 Å²	48.7	42%	0.416	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	128.1	173.7	27.5	-31.4	0	0	0	110.3	R164 F165 Y166	R164-P171 HydrophobicContact CG-CB 4Å; F165-P171 WeakPolarHBondContact O-CA 3.44Å; Y166-P171 HydrophobicContact CD1-CB 4.04Å; Y166-P171 HydrophobicContact CE1-CB 3.65Å; Y166-P171 HydrophobicContact CE1-CG 4.41Å
172	V	91.4	Very high	90.5	Very high	8 Å²	8	57.2 Å²	57.2	5%	0.048	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	118.4	169.2	-175.9	0	0	0	0	107.2	R164 F165 R170 V174 I720	R164-V172 WeakPolarHBondContact CA-O 3.38Å; F165-V172 HydrophobicContact CD1-CB 4.35Å; F165-V172 HydrophobicContact CD2-CB 4.27Å; F165-V172 HydrophobicContact CE1-CB 3.99Å; F165-V172 HydrophobicContact CE1-CG1 3.81Å; F165-V172 HydrophobicContact CE2-CB 3.9Å; F165-V172 HydrophobicContact CE2-CG1 4.13Å; F165-V172 HydrophobicContact CE2-CG2 4.24Å; F165-V172 HydrophobicContact CG-CB 4.48Å; F165-V172 HydrophobicContact CZ-CB 3.75Å; F165-V172 HydrophobicContact CZ-CG1 3.53Å; F165-V172 HydrophobicContact CZ-CG2 4.46Å; F165-V172 PolarHBondContact N-O 3.23Å; F165-V172 VanDerWaalsContact N-O 3.13Å; F165-V172 PolarHBondContact O-N 2.97Å; R170-V172 PolarHBondContact O-N 3.27Å; V172-V174 HydrophobicContact CG1-CG1 4.4Å; V172-I720 HydrophobicContact CG1-CD1 3.96Å
173	N	93.8	Very high	90.3	Very high	59 Å²	59	63.1 Å²	63.1	32%	0.316	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.9	178.3	-64.8	-36.4	0	0	0	108.9	I162 R164	I162-N173 HydrophobicContact CG2-CB 3.73Å; R164-N173 PolarHBondContact NE-OD1 3.01Å; R164-N173 PolarHBondContact NH2-OD1 3.03Å; R164-N173 VanDerWaalsContact NH2-OD1 3.14Å
174	V	94.5	Very high	90.2	Very high	5 Å²	5	63.9 Å²	63.9	3%	0.03	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	145.4	172	-65.5	0	0	0	0	110.4	I162 L163 F165 V172 I720 W751 A754	I162-V174 WeakPolarHBondContact CA-O 3.5Å; L163-V174 HydrophobicContact CB-CG2 3.89Å; L163-V174 HydrophobicContact CD2-CG2 4.27Å; L163-V174 HydrophobicContact CG-CG2 4.43Å; L163-V174 PolarHBondContact N-O 2.85Å; L163-V174 WeakPolarHBondContact O-CG2 3.05Å; L163-V174 PolarHBondContact O-N 3.25Å; F165-V174 HydrophobicContact CD1-CG2 4.32Å; F165-V174 HydrophobicContact CE1-CG1 3.82Å; F165-V174 HydrophobicContact CE1-CG2 3.94Å; F165-V174 HydrophobicContact CZ-CG1 4.49Å; V172-V174 HydrophobicContact CG1-CG1 4.4Å; V174-I720 HydrophobicContact CG1-CD1 3.46Å; V174-I720 VanDerWaalsContact CG1-CD1 3.46Å; V174-W751 HydrophobicContact CB-CB 4.29Å; V174-W751 HydrophobicContact CG2-CB 4.26Å; V174-A754 HydrophobicContact CG2-CB 4.46Å
175	Y	94.3	Very high	90.1	Very high	62 Å²	62	63.9 Å²	63.9	24%	0.243	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.3	-170.6	-62.8	-94.1	0	0	0	110.2	I162 P734 W751	I162-Y175 HydrophobicContact CD1-CD1 4.34Å; I162-Y175 HydrophobicContact CD1-CE1 3.7Å; I162-Y175 HydrophobicContact CG1-CD1 3.75Å; I162-Y175 HydrophobicContact CG1-CE1 3.63Å; Y175-P734 HydrophobicContact CD2-CB 3.83Å; Y175-P734 HydrophobicContact CE2-CB 3.65Å; Y175-P734 HydrophobicContact CE2-CG 4.2Å; Y175-W751 WeakPolarHBondContact O-CB 3.47Å
176	M	93.3	Very high	90.2	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-82	140.8	179.3	-178.5	179	-17	0	0	111.2	Y156 G161 I180 M181 Y184 R738 W751	Y156-M176 HydrophobicContact CD2-CE 3.8Å; Y156-M176 HydrophobicContact CE1-CE 4.28Å; Y156-M176 HydrophobicContact CE2-CE 3.16Å; Y156-M176 VanDerWaalsContact CZ-CE 3.43Å; G161-M176 WeakPolarHBondContact O-CB 3.43Å; G161-M176 PolarHBondContact O-N 2.77Å; M176-I180 HydrophobicContact CG-CB 3.97Å; M176-I180 HydrophobicContact CG-CG2 4.36Å; M176-I180 VanDerWaalsContact SD-C 3.6Å; M176-I180 HydrophobicContact SD-CB 3.71Å; M176-I180 HydrophobicContact SD-CG2 3.65Å; M176-M181 HydrophobicContact CB-CG 4.23Å; M176-M181 HydrophobicContact CG-CG 4.13Å; M176-M181 VanDerWaalsContact SD-CA 3.57Å; M176-M181 HydrophobicContact SD-CB 4.45Å; M176-M181 HydrophobicContact SD-CG 4.09Å; M176-Y184 HydrophobicContact CE-CD1 3.54Å; M176-Y184 HydrophobicContact CE-CD2 4.31Å; M176-Y184 HydrophobicContact CE-CE1 4.2Å; M176-Y184 HydrophobicContact CE-CG 3.58Å; M176-Y184 HydrophobicContact SD-CD1 4.41Å; M176-Y184 HydrophobicContact SD-CD2 4.23Å; M176-Y184 HydrophobicContact SD-CG 3.84Å; M176-R738 WeakPolarHBondContact O-CD 3.26Å; M176-R738 PolarHBondContact O-NH1 3.11Å; M176-R738 VanDerWaalsContact O-NH1 3.14Å; M176-W751 HydrophobicContact CB-CD2 4.04Å; M176-W751 HydrophobicContact CB-CE3 3.97Å; M176-W751 HydrophobicContact CB-CH2 4.02Å; M176-W751 HydrophobicContact CB-CZ2 4.16Å; M176-W751 HydrophobicContact CB-CZ3 3.96Å; M176-W751 HydrophobicContact CE-CH2 3.42Å; M176-W751 VanDerWaalsContact CE-CH2 3.42Å; M176-W751 HydrophobicContact CE-CZ2 4.26Å; M176-W751 HydrophobicContact CE-CZ3 3.68Å; M176-W751 HydrophobicContact CG-CD2 4.13Å; M176-W751 HydrophobicContact CG-CE3 4.29Å; M176-W751 HydrophobicContact CG-CH2 3.54Å; M176-W751 HydrophobicContact CG-CZ2 3.41Å; M176-W751 VanDerWaalsContact CG-CZ2 3.41Å; M176-W751 HydrophobicContact CG-CZ3 4.02Å; M176-W751 HydrophobicContact SD-CH2 3.43Å; M176-W751 WeakPolarHBondContact SD-CH2 3.4Å; M176-W751 HydrophobicContact SD-CZ2 3.68Å; M176-W751 HydrophobicContact SD-CZ3 4.19Å
177	P	94.8	Very high	90.3	Very high	30 Å²	30	67.1 Å²	67.1	20%	0.195	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-53.4	137.7	168.2	-24.6	32.1	0	0	0	112.5	Q179 I180 M181 R738 D739 W751	P177-Q179 PolarHBondContact O-N 2.74Å; P177-Q179 VanDerWaalsContact O-N 3.12Å; P177-I180 HydrophobicContact CB-CD1 4.27Å; P177-I180 HydrophobicContact CB-CG1 4.41Å; P177-I180 HydrophobicContact CG-CD1 4.16Å; P177-I180 PolarHBondContact O-N 3.23Å; P177-M181 PolarHBondContact O-N 3.38Å; P177-R738 WeakPolarHBondContact CA-O 3.37Å; P177-R738 WeakPolarHBondContact CG-O 3.39Å; P177-D739 WeakPolarHBondContact CA-OD1 3.4Å; P177-W751 VanDerWaalsContact CD-NE1 3.33Å
178	T	94.1	Very high	90.7	Very high	75 Å²	75	71.7 Å²	71.7	46%	0.46	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-37.5	-174.1	-59.1	0	0	0	0	112.2	I180 R738 D739	T178-I180 VanDerWaalsContact C-N 3.27Å; T178-I180 PolarHBondContact O-N 3.36Å; T178-R738 VanDerWaalsContact OG1-CD 3.28Å; T178-R738 WeakPolarHBondContact OG1-CD 3.34Å; T178-D739 WeakPolarHBondContact CB-OD1 3.48Å; T178-D739 WeakPolarHBondContact CB-OD2 3.49Å; T178-D739 PolarHBondContact N-OD1 3.49Å; T178-D739 PolarHBondContact OG1-OD1 3.08Å; T178-D739 PolarHBondContact OG1-OD2 2.98Å
179	Q	92	Very high	91.3	Very high	173 Å²	173	68.8 Å²	68.8	81%	0.808	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.8	-178.5	-58.3	-179	10.3	0	0	113.8	P177	P177-Q179 PolarHBondContact O-N 2.74Å; P177-Q179 VanDerWaalsContact O-N 3.12Å
180	I	91.6	Very high	91.9	Very high	62 Å²	62	68.1 Å²	68.1	32%	0.318	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-26.4	-174.3	-51.8	176.6	0	0	0	111.2	M176 P177 T178 Q182 N183 Y184 W751	M176-I180 HydrophobicContact CG-CB 3.97Å; M176-I180 HydrophobicContact CG-CG2 4.36Å; M176-I180 VanDerWaalsContact SD-C 3.6Å; M176-I180 HydrophobicContact SD-CB 3.71Å; M176-I180 HydrophobicContact SD-CG2 3.65Å; P177-I180 HydrophobicContact CB-CD1 4.27Å; P177-I180 HydrophobicContact CB-CG1 4.41Å; P177-I180 HydrophobicContact CG-CD1 4.16Å; P177-I180 PolarHBondContact O-N 3.23Å; T178-I180 VanDerWaalsContact C-N 3.27Å; T178-I180 PolarHBondContact O-N 3.36Å; I180-Q182 VanDerWaalsContact C-N 3.28Å; I180-Q182 PolarHBondContact O-N 3.5Å; I180-Q182 VanDerWaalsContact O-N 3.07Å; I180-N183 PolarHBondContact O-N 3.04Å; I180-Y184 HydrophobicContact CG2-CD2 4.27Å; I180-Y184 PolarHBondContact O-N 2.87Å; I180-W751 HydrophobicContact CD1-CZ2 4.5Å; I180-W751 HydrophobicContact CG2-CZ2 4.26Å
181	M	91.9	Very high	92.5	Very high	41 Å²	41	70.3 Å²	70.3	20%	0.202	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-38.5	-170.5	-73.4	176	52.3	0	0	115.1	Y156 P158 G161 M176 P177 R738	Y156-M181 WeakPolarHBondContact OH-CA 3.33Å; Y156-M181 PolarHBondContact OH-O 2.81Å; P158-M181 WeakPolarHBondContact O-CE 3.34Å; G161-M181 VanDerWaalsContact CA-CE 3.47Å; M176-M181 HydrophobicContact CB-CG 4.23Å; M176-M181 HydrophobicContact CG-CG 4.13Å; M176-M181 VanDerWaalsContact SD-CA 3.57Å; M176-M181 HydrophobicContact SD-CB 4.45Å; M176-M181 HydrophobicContact SD-CG 4.09Å; P177-M181 PolarHBondContact O-N 3.38Å; M181-R738 PolarHBondContact SD-NH1 3.25Å; M181-R738 VanDerWaalsContact SD-NH1 3.38Å
182	Q	88.3	Confident	92.8	Very high	179 Å²	179	68.5 Å²	68.5	84%	0.836	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-28.9	-177	-63.3	-177.6	0.9	0	0	113.2	I180	I180-Q182 VanDerWaalsContact C-N 3.28Å; I180-Q182 PolarHBondContact O-N 3.5Å; I180-Q182 VanDerWaalsContact O-N 3.07Å
183	N	89.9	Confident	93.1	Very high	137 Å²	137	68.2 Å²	68.2	73%	0.733	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	5.4	-171.6	-62.6	-36.5	0	0	0	112.8	I180 D185	I180-N183 PolarHBondContact O-N 3.04Å; N183-D185 PolarHBondContact O-N 3.06Å
184	Y	92.5	Very high	93.2	Very high	17 Å²	17	71 Å²	71	7%	0.067	37%	0.373	C	S	.	.			trans	-83.9	101.1	-175.1	-172.4	-102.6	0	0	0	113.1	Y156 L163 M176 I180 L186 W751 N795 K796	Y156-Y184 AromaticContact CD1-CD1 3.78Å; Y156-Y184 HydrophobicContact CD1-CD1 3.78Å; Y156-Y184 HydrophobicContact CD1-CE1 4.49Å; Y156-Y184 HydrophobicContact CD2-CD1 4.26Å; Y156-Y184 AromaticContact CE1-CD1 3.95Å; Y156-Y184 HydrophobicContact CE1-CD1 3.95Å; Y156-Y184 HydrophobicContact CE2-CD1 4.48Å; Y156-Y184 AromaticContact CG-CD1 3.95Å; Y156-Y184 HydrophobicContact CG-CD1 3.95Å; Y156-Y184 HydrophobicContact CG-CE1 4.29Å; L163-Y184 HydrophobicContact CD1-CE1 4.19Å; M176-Y184 HydrophobicContact CE-CD1 3.54Å; M176-Y184 HydrophobicContact CE-CD2 4.31Å; M176-Y184 HydrophobicContact CE-CE1 4.2Å; M176-Y184 HydrophobicContact CE-CG 3.58Å; M176-Y184 HydrophobicContact SD-CD1 4.41Å; M176-Y184 HydrophobicContact SD-CD2 4.23Å; M176-Y184 HydrophobicContact SD-CG 3.84Å; I180-Y184 HydrophobicContact CG2-CD2 4.27Å; I180-Y184 PolarHBondContact O-N 2.87Å; Y184-L186 HydrophobicContact CE1-CB 4.31Å; Y184-L186 HydrophobicContact CE1-CD1 3.97Å; Y184-W751 HydrophobicContact CD1-CH2 4.23Å; Y184-W751 AromaticContact CD2-CH2 3.53Å; Y184-W751 HydrophobicContact CD2-CH2 3.53Å; Y184-W751 HydrophobicContact CD2-CZ2 4.13Å; Y184-W751 HydrophobicContact CE1-CH2 4Å; Y184-W751 HydrophobicContact CE1-CZ3 4.22Å; Y184-W751 AromaticContact CE2-CH2 3.27Å; Y184-W751 HydrophobicContact CE2-CH2 3.27Å; Y184-W751 HydrophobicContact CE2-CZ2 4Å; Y184-W751 HydrophobicContact CE2-CZ3 4.11Å; Y184-W751 AromaticContact CG-CH2 3.99Å; Y184-W751 HydrophobicContact CG-CH2 3.99Å; Y184-W751 AromaticContact CZ-CH2 3.51Å; Y184-W751 AromaticContact CZ-CZ3 3.88Å; Y184-N795 PolarHBondContact OH-O 2.72Å; Y184-K796 VanDerWaalsContact CD2-NZ 3.33Å; Y184-K796 HydrophobicContact CE2-CD 3.93Å
185	D	91.9	Very high	93.4	Very high	70 Å²	70	71.4 Å²	71.4	37%	0.374	38%	0.376	S	S	.	.			trans	-96.1	113.1	171.2	-177	-4.8	0	0	0	111.4	N183 S187 I188 K796	N183-D185 PolarHBondContact O-N 3.06Å; D185-S187 PolarHBondContact O-N 3.39Å; D185-S187 VanDerWaalsContact OD1-CB 3.27Å; D185-S187 WeakPolarHBondContact OD1-CB 3.26Å; D185-S187 PolarHBondContact OD1-N 3.23Å; D185-S187 PolarHBondContact OD1-OG 2.74Å; D185-S187 PolarHBondContact OD2-OG 3.43Å; D185-I188 HydrophobicContact CB-CD1 3.85Å; D185-I188 HydrophobicContact CB-CG1 3.99Å; D185-K796 PolarHBondContact O-NZ 2.77Å
186	L	91.3	Very high	93.5	Very high	43 Å²	43	70.7 Å²	70.7	23%	0.225	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.6	178.9	-170.2	65.9	0	0	0	113.3	T154 L163 Y184 P797	T154-L186 HydrophobicContact CG2-CD1 4.21Å; T154-L186 HydrophobicContact CG2-CD2 4.48Å; T154-L186 WeakPolarHBondContact O-CD2 3.36Å; L163-L186 HydrophobicContact CD1-CD1 3.74Å; Y184-L186 HydrophobicContact CE1-CB 4.31Å; Y184-L186 HydrophobicContact CE1-CD1 3.97Å; L186-P797 VanDerWaalsContact CD1-CD 3.47Å; L186-P797 HydrophobicContact CD1-CG 3.93Å; L186-P797 HydrophobicContact CG-CG 4.38Å
187	S	89.6	Confident	93.8	Very high	94 Å²	94	71.2 Å²	71.2	66%	0.657	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-18	-177.5	76.9	0	0	0	0	114	D185 P189	D185-S187 PolarHBondContact O-N 3.39Å; D185-S187 VanDerWaalsContact OD1-CB 3.27Å; D185-S187 WeakPolarHBondContact OD1-CB 3.26Å; D185-S187 PolarHBondContact OD1-N 3.23Å; D185-S187 PolarHBondContact OD1-OG 2.74Å; D185-S187 PolarHBondContact OD2-OG 3.43Å; S187-P189 WeakPolarHBondContact O-CD 3.39Å
188	I	92.6	Very high	93.9	Very high	98 Å²	98	75.3 Å²	75.3	50%	0.503	40%	0.395	S	S	.	.	S	Bend	trans	-77.2	116.5	179	-58.1	177.7	0	0	0	109.4	D185 K796	D185-I188 HydrophobicContact CB-CD1 3.85Å; D185-I188 HydrophobicContact CB-CG1 3.99Å; I188-K796 WeakPolarHBondContact O-CD 3.45Å
189	P	92.2	Very high	94.1	Very high	83 Å²	83	72.6 Å²	72.6	54%	0.539	38%	0.378	S	S	.	.			trans	-70.1	139.6	178.2	29.6	-34.6	0	0	0	111.1	S187 K191	S187-P189 WeakPolarHBondContact O-CD 3.39Å; P189-K191 PolarHBondContact O-N 2.88Å
190	L	95.1	Very high	94.4	Very high	32 Å²	32	66.2 Å²	66.2	17%	0.168	35%	0.348	C	S	.	.			trans	-84.2	113.6	171.1	-175.1	62	0	0	0	109.1	K791 T794 K796 A799 E800	L190-K791 HydrophobicContact CD1-CB 4.1Å; L190-K791 HydrophobicContact CD2-CB 4.49Å; L190-K791 HydrophobicContact CG-CB 4.4Å; L190-T794 HydrophobicContact CD2-CG2 4.19Å; L190-K796 HydrophobicContact CB-CB 3.81Å; L190-K796 HydrophobicContact CB-CG 3.73Å; L190-A799 HydrophobicContact CB-CB 4.14Å; L190-A799 HydrophobicContact CD2-CB 4.12Å; L190-A799 HydrophobicContact CG-CB 4.5Å; L190-E800 WeakPolarHBondContact O-CB 3.41Å; L190-E800 PolarHBondContact O-N 3.01Å
191	K	97.1	Very high	94.7	Very high	145 Å²	145	63.5 Å²	63.5	63%	0.63	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-72.4	154.8	177.6	-64.5	-173.4	179.8	-177.3	0	112.3	P189 E800	P189-K191 PolarHBondContact O-N 2.88Å; K191-E800 WeakPolarHBondContact CA-OE2 3.25Å
192	A	97.3	Very high	95	Very high	25 Å²	25	61.5 Å²	61.5	21%	0.207	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-57.5	151.8	173.3	0	0	0	0	0	111.7	K791 E800 R802	A192-K791 VanDerWaalsContact O-CE 3.23Å; A192-K791 WeakPolarHBondContact O-CE 3.36Å; A192-E800 WeakPolarHBondContact CA-O 3.22Å; A192-E800 HydrophobicContact CB-CB 4.07Å; A192-E800 PolarHBondContact N-OE2 3.32Å; A192-R802 HydrophobicContact CB-CG 4.42Å
193	P	97.3	Very high	95.4	Very high	2 Å²	2	53 Å²	53	1%	0.013	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-64.2	145.1	176	27	-33.7	0	0	0	111.6	I777 L789 K791 R802	P193-I777 HydrophobicContact CB-CG2 4Å; P193-L789 HydrophobicContact CB-CD2 4.49Å; P193-L789 VanDerWaalsContact CD-O 3.31Å; P193-L789 WeakPolarHBondContact CD-O 3.45Å; P193-L789 HydrophobicContact CG-CB 4.27Å; P193-L789 HydrophobicContact CG-CD2 3.86Å; P193-L789 HydrophobicContact CG-CG 3.89Å; P193-L789 WeakPolarHBondContact CG-O 3.5Å; P193-K791 VanDerWaalsContact CA-CE 3.5Å; P193-K791 HydrophobicContact CB-CG 3.97Å; P193-R802 PolarHBondContact O-NE 2.59Å; P193-R802 PolarHBondContact O-NH2 3.01Å
194	D	96.6	Very high	95.7	Very high	117 Å²	117	46.5 Å²	46.5	63%	0.626	25%	0.25	S	C	*	.	S	Bend	trans	-68.3	-42.6	173.8	-59.8	-74	0	0	0	109.5	K791 R802	D194-K791 IonicContact OD2-NZ 2.83Å; D194-K791 PolarHBondContact OD2-NZ 3.14Å; D194-R802 PolarHBondContact O-NH2 2.98Å
195	T	97.2	Very high	96	Very high	15 Å²	15	45.7 Å²	45.7	9%	0.092	25%	0.247	C	C	.	.			trans	-47.6	142.9	166.5	-48.5	0	0	0	0	113	I777 L789 R802 V838 C839 I840	T195-I777 HydrophobicContact CG2-CD1 4Å; T195-L789 HydrophobicContact CG2-CD2 4.38Å; T195-R802 WeakPolarHBondContact O-CD 3.42Å; T195-R802 PolarHBondContact O-NE 3.12Å; T195-R802 VanDerWaalsContact O-NE 3.14Å; T195-V838 HydrophobicContact CG2-CG1 3.67Å; T195-C839 CarbonylContact C-O 3.56Å; T195-C839 WeakPolarHBondContact CA-O 3.1Å; T195-C839 WeakPolarHBondContact CG2-O 3.44Å; T195-I840 HydrophobicContact CG2-CG1 4.1Å
196	T	98	Very high	96.2	Very high	46 Å²	46	43.4 Å²	43.4	28%	0.282	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	163.3	179.9	56.2	0	0	0	0	111.7	R802 Y804 C839	T196-R802 VanDerWaalsContact CG2-CZ 3.43Å; T196-Y804 WeakPolarHBondContact CA-OH 3.16Å; T196-C839 PolarHBondContact N-O 3.14Å; T196-C839 PolarHBondContact O-N 3.25Å; T196-C839 WeakPolarHBondContact OG1-CB 3.34Å; T196-C839 PolarHBondContact OG1-O 3.49Å
197	L	98.3	Very high	96.5	Very high	11 Å²	11	41.4 Å²	41.4	6%	0.058	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	139.5	164.9	-58.5	-177	0	0	0	109.2	V787 L789 Y804 L823 W836 E837 V838	L197-V787 HydrophobicContact CD1-CG1 3.94Å; L197-L789 HydrophobicContact CD2-CD1 4.44Å; L197-L789 HydrophobicContact CD2-CD2 4.36Å; L197-L789 HydrophobicContact CG-CD2 4.24Å; L197-Y804 HydrophobicContact CB-CD1 4.14Å; L197-Y804 HydrophobicContact CB-CD2 4.16Å; L197-Y804 HydrophobicContact CB-CE1 3.77Å; L197-Y804 HydrophobicContact CB-CE2 3.8Å; L197-Y804 HydrophobicContact CB-CG 4.33Å; L197-Y804 HydrophobicContact CD1-CD2 3.83Å; L197-Y804 HydrophobicContact CD1-CE2 3.72Å; L197-Y804 HydrophobicContact CG-CD2 4.27Å; L197-Y804 HydrophobicContact CG-CE2 3.74Å; L197-Y804 PolarHBondContact N-OH 3.26Å; L197-Y804 WeakPolarHBondContact O-CE1 3.45Å; L197-L823 HydrophobicContact CD1-CD2 3.59Å; L197-L823 HydrophobicContact CD2-CB 4.47Å; L197-W836 HydrophobicContact CB-CB 4.11Å; L197-W836 HydrophobicContact CB-CE3 4.34Å; L197-W836 HydrophobicContact CD1-CB 4.3Å; L197-W836 HydrophobicContact CD1-CG 4.32Å; L197-W836 HydrophobicContact CD2-CB 4.4Å; L197-E837 WeakPolarHBondContact CA-O 3.2Å; L197-V838 HydrophobicContact CD2-CB 4.5Å; L197-V838 HydrophobicContact CD2-CG2 3.86Å
198	K	97.7	Very high	96.8	Very high	116 Å²	116	42 Å²	42	50%	0.504	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.5	170.7	172.5	-176.9	152.7	-137.3	0	107.8	E200 W836 E837	K198-E200 PolarHBondContact O-N 2.81Å; K198-W836 CarbonylContact O-C 3.53Å; K198-W836 WeakPolarHBondContact O-CA 3.41Å; K198-E837 HydrophobicContact CB-CB 4.45Å; K198-E837 PolarHBondContact N-O 3.21Å; K198-E837 IonicContact NZ-OE2 3.55Å; K198-E837 PolarHBondContact NZ-OE2 3.22Å; K198-E837 PolarHBondContact O-N 3.34Å
199	L	98.3	Very high	96.8	Very high	18 Å²	18	40.3 Å²	40.3	9%	0.094	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	126	174.3	-175.1	68.9	0	0	0	109.1	I202 H242 L244 L834 W836	L199-I202 HydrophobicContact CD1-CG1 4.2Å; L199-I202 HydrophobicContact CD2-CD1 3.94Å; L199-I202 HydrophobicContact CD2-CG1 4.06Å; L199-H242 HydrophobicContact CD2-CB 3.81Å; L199-H242 VanDerWaalsContact CD2-CG 3.44Å; L199-L244 HydrophobicContact CB-CD1 4.41Å; L199-L244 HydrophobicContact CD2-CD1 4.11Å; L199-L244 HydrophobicContact CD2-CD2 3.66Å; L199-L244 HydrophobicContact CD2-CG 4.43Å; L199-L834 HydrophobicContact CD1-CB 4.04Å; L199-L834 HydrophobicContact CD1-CD2 4.39Å; L199-L834 HydrophobicContact CD1-CG 3.94Å; L199-W836 HydrophobicContact CB-CE3 3.87Å; L199-W836 HydrophobicContact CB-CZ3 3.86Å; L199-W836 HydrophobicContact CD1-CD2 4.13Å; L199-W836 HydrophobicContact CD1-CE3 3.97Å; L199-W836 HydrophobicContact CD1-CH2 4.26Å; L199-W836 HydrophobicContact CD1-CZ2 4.42Å; L199-W836 HydrophobicContact CD1-CZ3 4.03Å; L199-W836 HydrophobicContact CG-CZ3 4.45Å
200	E	97.5	Very high	97	Very high	39 Å²	39	36.6 Å²	36.6	18%	0.182	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-41.8	-178.8	-177	-168.1	-170	0	0	110.8	K198 K554 R822 Q835 E837	K198-E200 PolarHBondContact O-N 2.81Å; E200-K554 WeakPolarHBondContact OE1-CE 3.39Å; E200-K554 IonicContact OE1-NZ 2.87Å; E200-K554 PolarHBondContact OE1-NZ 3.32Å; E200-K554 IonicContact OE2-NZ 3.06Å; E200-R822 IonicContact OE1-CZ 3.62Å; E200-R822 IonicContact OE1-NE 3.52Å; E200-R822 PolarHBondContact OE1-NE 3.46Å; E200-R822 IonicContact OE1-NH2 3.41Å; E200-R822 PolarHBondContact OE1-NH2 3.05Å; E200-R822 IonicContact OE2-CZ 2.76Å; E200-R822 VanDerWaalsContact OE2-CZ 3.25Å; E200-R822 IonicContact OE2-NE 2.82Å; E200-R822 PolarHBondContact OE2-NE 3.34Å; E200-R822 IonicContact OE2-NH2 2.9Å; E200-R822 PolarHBondContact OE2-NH2 2.96Å; E200-Q835 PolarHBondContact N-O 3.29Å; E200-Q835 PolarHBondContact OE2-NE2 2.88Å; E200-E837 HydrophobicContact CB-CB 4.41Å
201	W	98.2	Very high	97	Very high	5 Å²	5	39 Å²	39	2%	0.019	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	151.3	-175.5	-158.3	-98.6	0	0	0	112.8	Y203 Y233 Q238 Q240 M518 K554 Q835	W201-Y203 AromaticContact CD1-CD1 3.88Å; W201-Y203 AromaticContact CD1-CD2 3.91Å; W201-Y203 AromaticContact CD1-CE1 3.77Å; W201-Y203 AromaticContact CD1-CE2 3.77Å; W201-Y203 AromaticContact CD1-CG 3.96Å; W201-Y203 AromaticContact CD1-CZ 3.7Å; W201-Y203 AromaticContact NE1-CD1 4Å; W201-Y233 AromaticContact CH2-CD2 3.92Å; W201-Y233 HydrophobicContact CH2-CD2 3.92Å; W201-Y233 AromaticContact CH2-CE2 3.61Å; W201-Y233 HydrophobicContact CH2-CE2 3.61Å; W201-Y233 HydrophobicContact CZ2-CD2 4.46Å; W201-Y233 HydrophobicContact CZ2-CE2 4.12Å; W201-Q238 VanDerWaalsContact CZ3-O 3.3Å; W201-Q238 WeakPolarHBondContact CZ3-O 3.42Å; W201-Q240 VanDerWaalsContact CD2-CD 3.49Å; W201-Q240 HydrophobicContact CD2-CG 3.96Å; W201-Q240 HydrophobicContact CE3-CB 3.91Å; W201-Q240 HydrophobicContact CE3-CG 3.62Å; W201-Q240 HydrophobicContact CH2-CG 3.9Å; W201-Q240 HydrophobicContact CZ2-CG 4.17Å; W201-Q240 HydrophobicContact CZ3-CB 4.09Å; W201-Q240 HydrophobicContact CZ3-CG 3.61Å; W201-M518 HydrophobicContact CZ2-CE 4.21Å; W201-K554 HydrophobicContact CB-CD 3.8Å; W201-K554 HydrophobicContact CD2-CB 3.74Å; W201-K554 HydrophobicContact CD2-CD 3.92Å; W201-K554 HydrophobicContact CD2-CG 3.7Å; W201-K554 VanDerWaalsContact CE2-CB 3.5Å; W201-K554 HydrophobicContact CE3-CB 4.23Å; W201-K554 HydrophobicContact CE3-CD 4.21Å; W201-K554 HydrophobicContact CE3-CG 3.8Å; W201-K554 HydrophobicContact CG-CB 4.1Å; W201-K554 HydrophobicContact CG-CD 3.74Å; W201-K554 HydrophobicContact CG-CG 4.06Å; W201-K554 HydrophobicContact CH2-CB 4.22Å; W201-K554 HydrophobicContact CH2-CG 4.41Å; W201-K554 HydrophobicContact CZ2-CB 3.78Å; W201-K554 HydrophobicContact CZ2-CG 4.36Å; W201-K554 HydrophobicContact CZ3-CB 4.43Å; W201-K554 HydrophobicContact CZ3-CG 4.14Å; W201-Q835 HydrophobicContact CB-CB 4.22Å; W201-Q835 PolarHBondContact N-O 3.2Å; W201-Q835 PolarHBondContact O-N 2.81Å
202	I	98.3	Very high	96.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.5	167.8	-62.5	-169.1	0	0	0	108.9	L199 V226 V229 V231 Q240 A832 V833 L834	L199-I202 HydrophobicContact CD1-CG1 4.2Å; L199-I202 HydrophobicContact CD2-CD1 3.94Å; L199-I202 HydrophobicContact CD2-CG1 4.06Å; I202-V226 HydrophobicContact CG2-CG1 3.41Å; I202-V226 VanDerWaalsContact CG2-CG1 3.41Å; I202-V229 HydrophobicContact CD1-CB 3.65Å; I202-V229 HydrophobicContact CD1-CG1 3.54Å; I202-V229 HydrophobicContact CD1-CG2 3.73Å; I202-V231 HydrophobicContact CB-CG2 4.25Å; I202-V231 HydrophobicContact CD1-CG2 4.25Å; I202-V231 HydrophobicContact CG2-CG2 4.49Å; I202-Q240 PolarHBondContact O-NE2 2.75Å; I202-A832 HydrophobicContact CG2-CB 4.46Å; I202-V833 WeakPolarHBondContact CA-O 3.43Å; I202-L834 HydrophobicContact CB-CD1 4.46Å; I202-L834 HydrophobicContact CD1-CD1 3.93Å; I202-L834 HydrophobicContact CD1-CG 4.05Å; I202-L834 HydrophobicContact CG1-CD1 3.91Å; I202-L834 HydrophobicContact CG1-CG 3.94Å; I202-L834 HydrophobicContact CG2-CD1 3.99Å
203	Y	97.5	Very high	96.8	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	133.5	169	-49.5	-98.9	0	0	0	109.2	W201 F537 W549 K554 V833 Q835	W201-Y203 AromaticContact CD1-CD1 3.88Å; W201-Y203 AromaticContact CD1-CD2 3.91Å; W201-Y203 AromaticContact CD1-CE1 3.77Å; W201-Y203 AromaticContact CD1-CE2 3.77Å; W201-Y203 AromaticContact CD1-CG 3.96Å; W201-Y203 AromaticContact CD1-CZ 3.7Å; W201-Y203 AromaticContact NE1-CD1 4Å; Y203-F537 HydrophobicContact CD2-CZ 4.34Å; Y203-F537 HydrophobicContact CE2-CE1 4.4Å; Y203-F537 AromaticContact CE2-CZ 3.77Å; Y203-F537 HydrophobicContact CE2-CZ 3.77Å; Y203-F537 AromaticContact CZ-CZ 3.97Å; Y203-W549 HydrophobicContact CD1-CD2 4.31Å; Y203-W549 AromaticContact CD1-CE3 3.48Å; Y203-W549 HydrophobicContact CD1-CE3 3.48Å; Y203-W549 VanDerWaalsContact CD1-CE3 3.48Å; Y203-W549 HydrophobicContact CD1-CH2 4.35Å; Y203-W549 AromaticContact CD1-CZ3 3.51Å; Y203-W549 HydrophobicContact CD1-CZ3 3.51Å; Y203-W549 AromaticContact CE1-CE3 3.83Å; Y203-W549 HydrophobicContact CE1-CE3 3.83Å; Y203-W549 HydrophobicContact CE1-CZ3 4.29Å; Y203-W549 HydrophobicContact CG-CE3 4.2Å; Y203-W549 HydrophobicContact CG-CZ3 4.1Å; Y203-K554 HydrophobicContact CE1-CB 4.46Å; Y203-K554 WeakPolarHBondContact CE1-O 3.25Å; Y203-V833 HydrophobicContact CD2-CB 3.98Å; Y203-V833 HydrophobicContact CD2-CG1 4.12Å; Y203-V833 HydrophobicContact CG-CB 4.46Å; Y203-V833 PolarHBondContact N-O 3.27Å; Y203-V833 PolarHBondContact O-N 3.47Å; Y203-Q835 HydrophobicContact CE2-CB 4.01Å; Y203-Q835 PolarHBondContact OH-OE1 3.27Å
204	G	95.7	Very high	96.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.159	C	C	.	.			trans	111.3	157.4	178.8	0	0	0	0	0	114.6	F519	G204-F519 WeakPolarHBondContact CA-O 3.47Å; G204-F519 PolarHBondContact N-O 2.94Å; G204-F519 VanDerWaalsContact N-O 3.09Å
205	Y	97.8	Very high	96.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.14	C	C	.	.			trans	-140.7	135.4	177.3	152.2	-108.1	0	0	0	109	G207 N213 L214 Y224 T487 G499 N503 M504 I505	Y205-G207 PolarHBondContact O-N 2.88Å; Y205-N213 PolarHBondContact OH-OD1 2.79Å; Y205-L214 HydrophobicContact CE2-CB 4.41Å; Y205-Y224 AromaticContact CD2-CD2 3.94Å; Y205-Y224 HydrophobicContact CD2-CD2 3.94Å; Y205-Y224 HydrophobicContact CD2-CG 4.24Å; Y205-T487 VanDerWaalsContact OH-CG2 3.26Å; Y205-T487 WeakPolarHBondContact OH-CG2 3.35Å; Y205-G499 VanDerWaalsContact CE1-CA 3.5Å; Y205-N503 PolarHBondContact N-O 3.45Å; Y205-N503 WeakPolarHBondContact O-CA 3.27Å; Y205-N503 WeakPolarHBondContact O-CB 3.35Å; Y205-N503 PolarHBondContact O-OD1 2.87Å; Y205-N503 VanDerWaalsContact O-OD1 3.07Å; Y205-M504 WeakPolarHBondContact CD1-O 3.32Å; Y205-I505 HydrophobicContact CD1-CG1 3.9Å; Y205-I505 HydrophobicContact CD2-CD1 4.25Å; Y205-I505 HydrophobicContact CD2-CG1 4.29Å; Y205-I505 HydrophobicContact CG-CD1 4Å; Y205-I505 HydrophobicContact CG-CG1 3.68Å
206	R	97.7	Very high	96.8	Very high	22 Å²	22	32.2 Å²	32.2	8%	0.083	15%	0.146	C	C	.	.			trans	-82.5	79.4	-178.7	-167.1	178.4	-172.5	147.3	5.3	112.7	D209 C210 N213 F225 V226 D249	R206-D209 WeakPolarHBondContact CG-OD1 3.43Å; R206-D209 IonicContact CZ-OD1 4Å; R206-D209 IonicContact CZ-OD2 3.67Å; R206-D209 IonicContact NE-OD1 3.73Å; R206-D209 PolarHBondContact NE-OD1 2.94Å; R206-D209 IonicContact NE-OD2 3.92Å; R206-D209 PolarHBondContact NE-OD2 3.11Å; R206-D209 VanDerWaalsContact NE-OD2 3.17Å; R206-D209 IonicContact NH2-OD1 3.47Å; R206-D209 IonicContact NH2-OD2 2.7Å; R206-D209 PolarHBondContact NH2-OD2 3.22Å; R206-C210 HydrophobicContact CG-CB 4.17Å; R206-C210 WeakPolarHBondContact O-CB 3.45Å; R206-N213 PolarHBondContact O-ND2 2.89Å; R206-F225 HydrophobicContact CB-CD2 4.31Å; R206-F225 HydrophobicContact CB-CE2 4.41Å; R206-F225 WeakPolarHBondContact CB-O 3.3Å; R206-F225 PolarHBondContact N-O 2.83Å; R206-V226 HydrophobicContact CB-CB 4.5Å; R206-V226 HydrophobicContact CB-CG2 4.42Å; R206-D249 IonicContact CZ-OD1 3.1Å; R206-D249 IonicContact CZ-OD2 3.67Å; R206-D249 IonicContact NH1-OD1 3.34Å; R206-D249 PolarHBondContact NH1-OD1 2.92Å; R206-D249 IonicContact NH1-OD2 2.73Å; R206-D249 PolarHBondContact NH1-OD2 3.02Å; R206-D249 IonicContact NH2-OD1 3.78Å; R206-D249 IonicContact NH2-OD2 3.14Å; R206-D249 PolarHBondContact NH2-OD2 2.84Å
207	G	96.5	Very high	96.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	13%	0.133	C	C	.	.			trans	-100.1	-19.3	178	0	0	0	0	0	115.2	Y205 R486 T500 N503	Y205-G207 PolarHBondContact O-N 2.88Å; G207-R486 VanDerWaalsContact O-CG 3.27Å; G207-R486 WeakPolarHBondContact O-CG 3.23Å; G207-R486 PolarHBondContact O-NE 2.9Å; G207-T500 CarbonylContact C-O 3.55Å; G207-T500 VanDerWaalsContact CA-O 3.32Å; G207-T500 WeakPolarHBondContact CA-O 3.46Å; G207-N503 PolarHBondContact N-OD1 3.01Å
208	R	95.4	Very high	96.3	Very high	108 Å²	108	34.5 Å²	34.5	41%	0.408	16%	0.162	S	C	.	.	S	Bend	trans	-62.4	-55.1	-177.3	-174.7	173.7	172.9	-153.6	0.4	113.2	R486 T501 N503 F522 E523	R208-R486 PolarHBondContact O-NH2 2.89Å; R208-T501 WeakPolarHBondContact CA-O 3.5Å; R208-T501 WeakPolarHBondContact CB-O 3.47Å; R208-N503 WeakPolarHBondContact CB-OD1 3.37Å; R208-N503 PolarHBondContact N-OD1 3.32Å; R208-F522 WeakPolarHBondContact CD-O 3.44Å; R208-F522 PolarHBondContact NH1-O 3.36Å; R208-E523 VanDerWaalsContact CZ-CD 3.43Å; R208-E523 IonicContact CZ-OE1 2.64Å; R208-E523 IonicContact CZ-OE2 3.45Å; R208-E523 IonicContact NH1-OE1 3.26Å; R208-E523 PolarHBondContact NH1-OE1 2.87Å; R208-E523 IonicContact NH1-OE2 3.74Å; R208-E523 PolarHBondContact NH1-OE2 3.36Å; R208-E523 VanDerWaalsContact NH2-CD 3.26Å; R208-E523 IonicContact NH2-OE1 3.33Å; R208-E523 PolarHBondContact NH2-OE1 2.66Å; R208-E523 IonicContact NH2-OE2 3.79Å; R208-E523 PolarHBondContact NH2-OE2 2.77Å
209	D	93.4	Very high	96.1	Very high	62 Å²	62	32.5 Å²	32.5	33%	0.332	16%	0.16	S	C	.	.	S	Bend	trans	-109.6	-18.3	-172.6	71.4	-41	0	0	0	114.8	R206 R211 K251	R206-D209 WeakPolarHBondContact CG-OD1 3.43Å; R206-D209 IonicContact CZ-OD1 4Å; R206-D209 IonicContact CZ-OD2 3.67Å; R206-D209 IonicContact NE-OD1 3.73Å; R206-D209 PolarHBondContact NE-OD1 2.94Å; R206-D209 IonicContact NE-OD2 3.92Å; R206-D209 PolarHBondContact NE-OD2 3.11Å; R206-D209 VanDerWaalsContact NE-OD2 3.17Å; R206-D209 IonicContact NH2-OD1 3.47Å; R206-D209 IonicContact NH2-OD2 2.7Å; R206-D209 PolarHBondContact NH2-OD2 3.22Å; D209-R211 PolarHBondContact O-NH2 2.98Å; D209-K251 IonicContact OD2-NZ 3.85Å; D209-K251 PolarHBondContact OD2-NZ 3.02Å
210	C	95.9	Very high	95.8	Very high	4 Å²	4	32.3 Å²	32.3	3%	0.027	16%	0.161	C	C	.	.			trans	-98.8	169.8	176.3	-79	0	0	0	0	112.9	R206 N213 F225 K251 R486	R206-C210 HydrophobicContact CG-CB 4.17Å; R206-C210 WeakPolarHBondContact O-CB 3.45Å; C210-N213 WeakPolarHBondContact CB-ND2 3.49Å; C210-F225 HydrophobicContact CB-CE2 3.89Å; C210-F225 HydrophobicContact CB-CZ 4.09Å; C210-K251 PolarHBondContact SG-O 3.47Å; C210-K251 VanDerWaalsContact SG-O 3.39Å; C210-R486 WeakPolarHBondContact O-CD 2.94Å; C210-R486 WeakPolarHBondContact O-CG 3.29Å; C210-R486 PolarHBondContact O-NE 2.79Å
211	R	95	Very high	95.7	Very high	83 Å²	83	31 Å²	31	31%	0.313	16%	0.155	S	C	.	.			trans	-154.9	164	-176	66.4	-161	75.6	104.9	2.5	110.9	D209 N213 T349	D209-R211 PolarHBondContact O-NH2 2.98Å; R211-N213 PolarHBondContact O-N 2.89Å; R211-N213 VanDerWaalsContact O-N 3.15Å; R211-T349 WeakPolarHBondContact CD-O 3.41Å
212	N	92.7	Very high	95.7	Very high	56 Å²	56	30.8 Å²	30.8	30%	0.299	16%	0.155	S	C	.	.	S	Bend	trans	50.3	35.2	-178.5	-62.9	-11.4	0	0	0	113.4	H215	N212-H215 PolarHBondContact O-NE2 3.45Å
213	N	97.8	Very high	95.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.			trans	-123.6	27.8	-167.2	66.8	-30.7	0	0	0	114.1	Y205 R206 C210 R211 Y224 F225 I253	Y205-N213 PolarHBondContact OH-OD1 2.79Å; R206-N213 PolarHBondContact O-ND2 2.89Å; C210-N213 WeakPolarHBondContact CB-ND2 3.49Å; R211-N213 PolarHBondContact O-N 2.89Å; R211-N213 VanDerWaalsContact O-N 3.15Å; N213-Y224 VanDerWaalsContact O-CA 3.28Å; N213-Y224 WeakPolarHBondContact O-CA 3.45Å; N213-Y224 VanDerWaalsContact O-CB 3.24Å; N213-Y224 WeakPolarHBondContact O-CB 3.46Å; N213-F225 HydrophobicContact CB-CD1 4.05Å; N213-F225 HydrophobicContact CB-CE1 3.32Å; N213-F225 HydrophobicContact CB-CE2 4.15Å; N213-F225 HydrophobicContact CB-CZ 3.36Å; N213-F225 WeakPolarHBondContact ND2-CE2 3.48Å; N213-F225 WeakPolarHBondContact ND2-CZ 3.32Å; N213-I253 HydrophobicContact CB-CG2 4.15Å
214	L	97.9	Very high	95.8	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	115.5	174.7	-178.1	59.4	0	0	0	107.5	Y205 L222 I223 Y224 T487 T489 I497 I505	Y205-L214 HydrophobicContact CE2-CB 4.41Å; L214-L222 HydrophobicContact CD1-CB 4.48Å; L214-L222 HydrophobicContact CD1-CD2 4.2Å; L214-I223 WeakPolarHBondContact CA-O 3.39Å; L214-Y224 HydrophobicContact CD1-CD1 3.96Å; L214-Y224 HydrophobicContact CD1-CG 4.21Å; L214-T487 HydrophobicContact CB-CG2 3.61Å; L214-T487 HydrophobicContact CD2-CG2 3.98Å; L214-T487 HydrophobicContact CG-CG2 4.44Å; L214-T489 HydrophobicContact CG-CG2 4.21Å; L214-I497 HydrophobicContact CD2-CG2 3.86Å; L214-I497 HydrophobicContact CG-CG2 4.3Å; L214-I505 HydrophobicContact CD1-CD1 3.89Å; L214-I505 HydrophobicContact CD2-CD1 4.46Å; L214-I505 HydrophobicContact CD2-CG1 4.2Å; L214-I505 HydrophobicContact CD2-CG2 4.11Å
215	H	97	Very high	95.9	Very high	52 Å²	52	30.7 Å²	30.7	24%	0.241	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	147.5	-177.1	-56.5	-99.4	0	0	0	109.5	N212 I223 I255	N212-H215 PolarHBondContact O-NE2 3.45Å; H215-I223 HydrophobicContact CB-CG2 3.79Å; H215-I223 PolarHBondContact N-O 3.37Å; H215-I223 PolarHBondContact O-N 2.93Å; H215-I255 HydrophobicContact CB-CG1 4.17Å
216	Y	95.2	Very high	95.9	Very high	51 Å²	51	30.7 Å²	30.7	20%	0.2	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.5	170.6	-164.8	-91.8	0	0	0	110.2	G220 L222 Q490	Y216-G220 WeakPolarHBondContact OH-CA 3.42Å; Y216-L222 HydrophobicContact CD2-CD2 3.77Å; Y216-L222 HydrophobicContact CD2-CG 4.35Å; Y216-Q490 WeakPolarHBondContact CB-O 3.16Å
217	L	95.3	Very high	96	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.016	15%	0.15	C	C	.	.			trans	-94.2	150.8	177.6	-63.5	-178.1	0	0	0	111.4	T219 G220 E221 I223 L232 I255	L217-T219 WeakPolarHBondContact CB-OG1 3.43Å; L217-T219 PolarHBondContact O-N 2.9Å; L217-G220 PolarHBondContact O-N 3.21Å; L217-E221 WeakPolarHBondContact CB-O 3.49Å; L217-E221 HydrophobicContact CD1-CB 4.43Å; L217-E221 PolarHBondContact N-O 3.48Å; L217-I223 HydrophobicContact CD1-CB 4.04Å; L217-I223 HydrophobicContact CD1-CD1 4.36Å; L217-I223 HydrophobicContact CD1-CG2 4.09Å; L217-I223 HydrophobicContact CD2-CG2 3.88Å; L217-I223 HydrophobicContact CG-CB 4.21Å; L217-I223 HydrophobicContact CG-CG2 3.79Å; L217-L232 HydrophobicContact CD1-CD2 4.19Å; L217-I255 HydrophobicContact CD2-CD1 4.33Å; L217-I255 HydrophobicContact CD2-CG2 4.27Å
218	P	91.7	Very high	96	Very high	102 Å²	102	29.7 Å²	29.7	66%	0.662	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-11.5	174.5	-23.8	34.8	0	0	0	115	G220 R259	P218-G220 VanDerWaalsContact C-N 3.27Å; P218-R259 HydrophobicContact CG-CB 3.73Å; P218-R259 HydrophobicContact CG-CG 4.01Å
219	T	92.3	Very high	96.2	Very high	75 Å²	75	24.6 Å²	24.6	46%	0.46	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-8.2	174.4	50.4	0	0	0	0	113.9	L217 E221	L217-T219 WeakPolarHBondContact CB-OG1 3.43Å; L217-T219 PolarHBondContact O-N 2.9Å; T219-E221 WeakPolarHBondContact CB-OE2 3.45Å; T219-E221 PolarHBondContact OG1-OE2 3.32Å
220	G	92.3	Very high	96.5	Very high	13 Å²	13	21.6 Å²	21.6	13%	0.134	12%	0.116	C	C	.	.	S	Bend	trans	92.7	-3.8	-170.7	0	0	0	0	0	113.9	Y216 L217 P218	Y216-G220 WeakPolarHBondContact OH-CA 3.42Å; L217-G220 PolarHBondContact O-N 3.21Å; P218-G220 VanDerWaalsContact C-N 3.27Å
221	E	96.8	Very high	96.6	Very high	12 Å²	12	21.4 Å²	21.4	6%	0.056	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	132	-175.4	-62.2	169.5	112.3	0	0	112.1	L217 T219 L232 Y233 N234 R241	L217-E221 WeakPolarHBondContact CB-O 3.49Å; L217-E221 HydrophobicContact CD1-CB 4.43Å; L217-E221 PolarHBondContact N-O 3.48Å; T219-E221 WeakPolarHBondContact CB-OE2 3.45Å; T219-E221 PolarHBondContact OG1-OE2 3.32Å; E221-L232 HydrophobicContact CB-CB 4.39Å; E221-Y233 CarbonylContact C-O 3.54Å; E221-Y233 WeakPolarHBondContact CA-O 3.48Å; E221-N234 HydrophobicContact CG-CB 4.21Å; E221-R241 VanDerWaalsContact CD-NH2 3.25Å; E221-R241 IonicContact OE1-CZ 3.18Å; E221-R241 IonicContact OE1-NE 3.16Å; E221-R241 PolarHBondContact OE1-NE 2.88Å; E221-R241 IonicContact OE1-NH2 2.94Å; E221-R241 PolarHBondContact OE1-NH2 2.89Å; E221-R241 IonicContact OE2-NH2 3.58Å; E221-R241 PolarHBondContact OE2-NH2 3.4Å
222	L	97.6	Very high	96.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	126.8	158.8	-74.2	177.1	0	0	0	109.7	L214 Y216 Y224 L232 Y233 I235 I497 I505 L517	L214-L222 HydrophobicContact CD1-CB 4.48Å; L214-L222 HydrophobicContact CD1-CD2 4.2Å; Y216-L222 HydrophobicContact CD2-CD2 3.77Å; Y216-L222 HydrophobicContact CD2-CG 4.35Å; L222-Y224 HydrophobicContact CB-CD1 4.35Å; L222-L232 CarbonylContact O-C 3.55Å; L222-L232 WeakPolarHBondContact O-CA 3.22Å; L222-Y233 HydrophobicContact CD1-CD1 4.44Å; L222-Y233 PolarHBondContact N-O 2.87Å; L222-Y233 PolarHBondContact O-N 2.83Å; L222-I235 HydrophobicContact CD1-CD1 3.76Å; L222-I235 HydrophobicContact CD1-CG1 4.05Å; L222-I235 HydrophobicContact CG-CD1 3.99Å; L222-I235 HydrophobicContact CG-CG1 4.32Å; L222-I497 HydrophobicContact CD1-CG2 3.93Å; L222-I497 HydrophobicContact CD2-CB 4.31Å; L222-I497 HydrophobicContact CD2-CG1 4.15Å; L222-I497 HydrophobicContact CD2-CG2 3.81Å; L222-I505 HydrophobicContact CD1-CG2 4.38Å; L222-L517 HydrophobicContact CD1-CD1 4.14Å
223	I	98.4	Very high	97	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.9	172.1	-170.1	171.9	0	0	0	111	L214 H215 L217 V230 V231 L232 I253 I255 V262 W282	L214-I223 WeakPolarHBondContact CA-O 3.39Å; H215-I223 HydrophobicContact CB-CG2 3.79Å; H215-I223 PolarHBondContact N-O 3.37Å; H215-I223 PolarHBondContact O-N 2.93Å; L217-I223 HydrophobicContact CD1-CB 4.04Å; L217-I223 HydrophobicContact CD1-CD1 4.36Å; L217-I223 HydrophobicContact CD1-CG2 4.09Å; L217-I223 HydrophobicContact CD2-CG2 3.88Å; L217-I223 HydrophobicContact CG-CB 4.21Å; L217-I223 HydrophobicContact CG-CG2 3.79Å; I223-V230 HydrophobicContact CD1-CG1 4.05Å; I223-V230 HydrophobicContact CG1-CG1 3.72Å; I223-V231 WeakPolarHBondContact CA-O 3.48Å; I223-L232 HydrophobicContact CD1-CD2 4.43Å; I223-L232 HydrophobicContact CD1-CG 4.32Å; I223-L232 HydrophobicContact CG1-CG 4.29Å; I223-I253 HydrophobicContact CD1-CD1 3.77Å; I223-I253 HydrophobicContact CG1-CD1 3.78Å; I223-I255 HydrophobicContact CD1-CD1 4.33Å; I223-I255 HydrophobicContact CG2-CD1 3.89Å; I223-V262 HydrophobicContact CD1-CG1 4.08Å; I223-V262 HydrophobicContact CD1-CG2 3.97Å; I223-W282 HydrophobicContact CD1-CH2 3.69Å; I223-W282 HydrophobicContact CD1-CZ2 4.09Å
224	Y	98.6	Very high	96.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	-179.7	178.1	62.1	-87	0	0	0	110.7	Y205 N213 L214 L222 V230 V231 Y233 I505	Y205-Y224 AromaticContact CD2-CD2 3.94Å; Y205-Y224 HydrophobicContact CD2-CD2 3.94Å; Y205-Y224 HydrophobicContact CD2-CG 4.24Å; N213-Y224 VanDerWaalsContact O-CA 3.28Å; N213-Y224 WeakPolarHBondContact O-CA 3.45Å; N213-Y224 VanDerWaalsContact O-CB 3.24Å; N213-Y224 WeakPolarHBondContact O-CB 3.46Å; L214-Y224 HydrophobicContact CD1-CD1 3.96Å; L214-Y224 HydrophobicContact CD1-CG 4.21Å; L222-Y224 HydrophobicContact CB-CD1 4.35Å; Y224-V230 CarbonylContact O-C 3.58Å; Y224-V230 WeakPolarHBondContact O-CA 3.48Å; Y224-V230 WeakPolarHBondContact O-CG1 3.38Å; Y224-V231 HydrophobicContact CD1-CB 4.5Å; Y224-V231 HydrophobicContact CD2-CB 4.22Å; Y224-V231 HydrophobicContact CD2-CG2 4.46Å; Y224-V231 HydrophobicContact CE1-CB 4.13Å; Y224-V231 HydrophobicContact CE1-CG1 4.05Å; Y224-V231 HydrophobicContact CE2-CB 3.84Å; Y224-V231 HydrophobicContact CE2-CG1 4.24Å; Y224-V231 HydrophobicContact CE2-CG2 3.96Å; Y224-V231 PolarHBondContact N-O 3.43Å; Y224-V231 VanDerWaalsContact N-O 3.07Å; Y224-V231 PolarHBondContact O-N 2.8Å; Y224-Y233 HydrophobicContact CE1-CD1 4.42Å; Y224-I505 HydrophobicContact CD1-CD1 3.76Å; Y224-I505 HydrophobicContact CD2-CD1 4.17Å; Y224-I505 HydrophobicContact CE1-CD1 3.69Å; Y224-I505 HydrophobicContact CE2-CD1 4.1Å; Y224-I505 HydrophobicContact CG-CD1 4Å
225	F	98.7	Very high	96.5	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	157.1	176	57.2	-108.2	0	0	0	113.2	R206 C210 N213 V229 V250 K251 I253	R206-F225 HydrophobicContact CB-CD2 4.31Å; R206-F225 HydrophobicContact CB-CE2 4.41Å; R206-F225 WeakPolarHBondContact CB-O 3.3Å; R206-F225 PolarHBondContact N-O 2.83Å; C210-F225 HydrophobicContact CB-CE2 3.89Å; C210-F225 HydrophobicContact CB-CZ 4.09Å; N213-F225 HydrophobicContact CB-CD1 4.05Å; N213-F225 HydrophobicContact CB-CE1 3.32Å; N213-F225 HydrophobicContact CB-CE2 4.15Å; N213-F225 HydrophobicContact CB-CZ 3.36Å; N213-F225 WeakPolarHBondContact ND2-CE2 3.48Å; N213-F225 WeakPolarHBondContact ND2-CZ 3.32Å; F225-V229 VanDerWaalsContact CA-O 3.24Å; F225-V229 WeakPolarHBondContact CA-O 3.39Å; F225-V229 WeakPolarHBondContact CB-O 3.35Å; F225-V250 HydrophobicContact CB-CB 3.99Å; F225-V250 HydrophobicContact CB-CG1 3.94Å; F225-V250 HydrophobicContact CD1-CB 4.33Å; F225-V250 HydrophobicContact CD1-CG1 3.53Å; F225-V250 HydrophobicContact CD2-CB 4.01Å; F225-V250 HydrophobicContact CD2-CG1 4.06Å; F225-V250 WeakPolarHBondContact CD2-O 3.38Å; F225-V250 HydrophobicContact CE1-CG1 3.94Å; F225-V250 HydrophobicContact CE2-CG1 4.46Å; F225-V250 WeakPolarHBondContact CE2-O 3.49Å; F225-V250 HydrophobicContact CG-CB 3.87Å; F225-V250 HydrophobicContact CG-CG1 3.59Å; F225-V250 HydrophobicContact CZ-CG1 4.41Å; F225-K251 VanDerWaalsContact CZ-C 3.44Å; F225-K251 WeakPolarHBondContact CZ-O 3.37Å; F225-I253 HydrophobicContact CD1-CB 4.14Å; F225-I253 HydrophobicContact CD1-CG2 4.16Å; F225-I253 HydrophobicContact CE1-CB 3.97Å; F225-I253 HydrophobicContact CE1-CG2 3.82Å
226	V	98.3	Very high	96.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	147.4	169.1	67.3	0	0	0	0	107.7	I202 R206 A228 V229 A832	I202-V226 HydrophobicContact CG2-CG1 3.41Å; I202-V226 VanDerWaalsContact CG2-CG1 3.41Å; R206-V226 HydrophobicContact CB-CB 4.5Å; R206-V226 HydrophobicContact CB-CG2 4.42Å; V226-A228 PolarHBondContact O-N 2.87Å; V226-V229 PolarHBondContact N-O 2.83Å; V226-V229 VanDerWaalsContact N-O 3.12Å; V226-V229 PolarHBondContact O-N 2.97Å; V226-V229 VanDerWaalsContact O-O 3.08Å; V226-A832 HydrophobicContact CG1-CB 4.24Å; V226-A832 HydrophobicContact CG2-CB 4.05Å
227	A	98.3	Very high	96.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	-132.5	-171.3	0	0	0	0	0	112.9	V229 V250 G806 S808 D830 A832	A227-V229 VanDerWaalsContact C-N 3.34Å; A227-V250 PolarHBondContact O-N 3.02Å; A227-G806 VanDerWaalsContact CB-O 3.25Å; A227-G806 WeakPolarHBondContact CB-O 3.49Å; A227-S808 VanDerWaalsContact CA-OG 3.32Å; A227-S808 WeakPolarHBondContact CA-OG 3.42Å; A227-D830 HydrophobicContact CB-CB 3.68Å; A227-D830 WeakPolarHBondContact CB-OD2 3.43Å; A227-A832 HydrophobicContact CB-CB 4.1Å
228	A	98.3	Very high	96	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.008	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	18	175.2	0	0	0	0	0	113.4	V226 H246 D248 G806	V226-A228 PolarHBondContact O-N 2.87Å; A228-H246 HydrophobicContact CB-CB 4.47Å; A228-H246 WeakPolarHBondContact O-CB 3.31Å; A228-D248 WeakPolarHBondContact CA-O 3.46Å; A228-D248 WeakPolarHBondContact CB-O 3.29Å; A228-G806 WeakPolarHBondContact CB-O 3.41Å; A228-G806 PolarHBondContact N-O 3.12Å
229	V	98.7	Very high	96.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.4	-172.5	-174.3	0	0	0	0	112.2	I202 F225 V226 A227 V231 H242 L244 G806	I202-V229 HydrophobicContact CD1-CB 3.65Å; I202-V229 HydrophobicContact CD1-CG1 3.54Å; I202-V229 HydrophobicContact CD1-CG2 3.73Å; F225-V229 VanDerWaalsContact CA-O 3.24Å; F225-V229 WeakPolarHBondContact CA-O 3.39Å; F225-V229 WeakPolarHBondContact CB-O 3.35Å; V226-V229 PolarHBondContact N-O 2.83Å; V226-V229 VanDerWaalsContact N-O 3.12Å; V226-V229 PolarHBondContact O-N 2.97Å; V226-V229 VanDerWaalsContact O-O 3.08Å; A227-V229 VanDerWaalsContact C-N 3.34Å; V229-V231 HydrophobicContact CG1-CG2 4.33Å; V229-H242 HydrophobicContact CG1-CB 3.89Å; V229-L244 HydrophobicContact CB-CD2 4.15Å; V229-L244 HydrophobicContact CG1-CD2 3.61Å; V229-L244 HydrophobicContact CG2-CD2 3.47Å; V229-L244 VanDerWaalsContact CG2-CD2 3.47Å; V229-G806 VanDerWaalsContact CG2-CA 3.43Å; V229-G806 WeakPolarHBondContact CG2-O 3.34Å
230	V	98.8	Very high	96.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	124.9	161.3	-160.9	0	0	0	0	108.5	I223 Y224 H242 Y243 V250 I253 T264 W282	I223-V230 HydrophobicContact CD1-CG1 4.05Å; I223-V230 HydrophobicContact CG1-CG1 3.72Å; Y224-V230 CarbonylContact O-C 3.58Å; Y224-V230 WeakPolarHBondContact O-CA 3.48Å; Y224-V230 WeakPolarHBondContact O-CG1 3.38Å; V230-H242 WeakPolarHBondContact O-CA 3.29Å; V230-Y243 HydrophobicContact CG2-CD1 3.96Å; V230-Y243 PolarHBondContact N-O 2.91Å; V230-Y243 PolarHBondContact O-N 2.93Å; V230-V250 HydrophobicContact CG2-CG2 4.45Å; V230-I253 HydrophobicContact CG1-CD1 3.92Å; V230-T264 HydrophobicContact CG2-CG2 3.82Å; V230-W282 HydrophobicContact CB-CH2 4.2Å; V230-W282 HydrophobicContact CB-CZ2 3.92Å; V230-W282 HydrophobicContact CG1-CH2 4.03Å; V230-W282 HydrophobicContact CG1-CZ2 3.82Å; V230-W282 HydrophobicContact CG2-CZ2 3.92Å
231	V	98.7	Very high	96.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	132.7	179	-174	0	0	0	0	108.6	I202 I223 Y224 V229 Q240	I202-V231 HydrophobicContact CB-CG2 4.25Å; I202-V231 HydrophobicContact CD1-CG2 4.25Å; I202-V231 HydrophobicContact CG2-CG2 4.49Å; I223-V231 WeakPolarHBondContact CA-O 3.48Å; Y224-V231 HydrophobicContact CD1-CB 4.5Å; Y224-V231 HydrophobicContact CD2-CB 4.22Å; Y224-V231 HydrophobicContact CD2-CG2 4.46Å; Y224-V231 HydrophobicContact CE1-CB 4.13Å; Y224-V231 HydrophobicContact CE1-CG1 4.05Å; Y224-V231 HydrophobicContact CE2-CB 3.84Å; Y224-V231 HydrophobicContact CE2-CG1 4.24Å; Y224-V231 HydrophobicContact CE2-CG2 3.96Å; Y224-V231 PolarHBondContact N-O 3.43Å; Y224-V231 VanDerWaalsContact N-O 3.07Å; Y224-V231 PolarHBondContact O-N 2.8Å; V229-V231 HydrophobicContact CG1-CG2 4.33Å; V231-Q240 HydrophobicContact CG1-CB 4.29Å; V231-Q240 HydrophobicContact CG1-CG 3.76Å
232	L	98.5	Very high	96.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	110	165.6	-57.5	87.8	0	0	0	106.6	L217 E221 L222 I223 Q240 R241 W282 L287	L217-L232 HydrophobicContact CD1-CD2 4.19Å; E221-L232 HydrophobicContact CB-CB 4.39Å; L222-L232 CarbonylContact O-C 3.55Å; L222-L232 WeakPolarHBondContact O-CA 3.22Å; I223-L232 HydrophobicContact CD1-CD2 4.43Å; I223-L232 HydrophobicContact CD1-CG 4.32Å; I223-L232 HydrophobicContact CG1-CG 4.29Å; L232-Q240 CarbonylContact O-C 3.53Å; L232-Q240 VanDerWaalsContact O-CA 3.3Å; L232-Q240 WeakPolarHBondContact O-CA 3.46Å; L232-R241 HydrophobicContact CB-CB 4.42Å; L232-R241 PolarHBondContact N-O 2.85Å; L232-R241 PolarHBondContact O-N 2.76Å; L232-W282 HydrophobicContact CD1-CH2 4Å; L232-W282 HydrophobicContact CD1-CZ3 4.16Å; L232-W282 HydrophobicContact CD2-CZ3 4.5Å; L232-L287 HydrophobicContact CD1-CD2 3.83Å; L232-L287 HydrophobicContact CD2-CD2 4.23Å
233	Y	97.7	Very high	96.9	Very high	5 Å²	5	28.4 Å²	28.4	2%	0.02	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	111	-174.2	171.9	-152.7	0	0	0	109.9	W201 E221 L222 Y224 I235 Q238 Q240	W201-Y233 AromaticContact CH2-CD2 3.92Å; W201-Y233 HydrophobicContact CH2-CD2 3.92Å; W201-Y233 AromaticContact CH2-CE2 3.61Å; W201-Y233 HydrophobicContact CH2-CE2 3.61Å; W201-Y233 HydrophobicContact CZ2-CD2 4.46Å; W201-Y233 HydrophobicContact CZ2-CE2 4.12Å; E221-Y233 CarbonylContact C-O 3.54Å; E221-Y233 WeakPolarHBondContact CA-O 3.48Å; L222-Y233 HydrophobicContact CD1-CD1 4.44Å; L222-Y233 PolarHBondContact N-O 2.87Å; L222-Y233 PolarHBondContact O-N 2.83Å; Y224-Y233 HydrophobicContact CE1-CD1 4.42Å; Y233-I235 HydrophobicContact CE1-CG1 4.43Å; Y233-I235 PolarHBondContact O-N 2.9Å; Y233-Q238 PolarHBondContact OH-NE2 3.49Å; Y233-Q240 HydrophobicContact CD2-CG 4.17Å; Y233-Q240 HydrophobicContact CG-CG 4.33Å
234	N	96	Very high	96.8	Very high	15 Å²	15	31.1 Å²	31.1	8%	0.08	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	113.5	168.9	-171.7	-23.3	0	0	0	109	E221 E236 E237 Q238 C239	E221-N234 HydrophobicContact CG-CB 4.21Å; N234-E236 PolarHBondContact OD1-N 2.83Å; N234-E237 HydrophobicContact CB-CB 4.1Å; N234-E237 VanDerWaalsContact ND2-CG 3.29Å; N234-E237 WeakPolarHBondContact ND2-CG 3.4Å; N234-E237 PolarHBondContact ND2-OE2 2.84Å; N234-E237 PolarHBondContact OD1-N 2.82Å; N234-Q238 WeakPolarHBondContact O-CA 3.48Å; N234-Q238 PolarHBondContact O-N 2.99Å; N234-Q238 VanDerWaalsContact O-N 3.11Å; N234-C239 PolarHBondContact N-O 3.03Å; N234-C239 PolarHBondContact O-N 2.88Å
235	I	89.8	Confident	96.8	Very high	29 Å²	29	35.5 Å²	35.5	15%	0.149	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-40.2	-178.3	-54.3	168.6	0	0	0	110.6	L222 Y233 Q238 I497 L517	L222-I235 HydrophobicContact CD1-CD1 3.76Å; L222-I235 HydrophobicContact CD1-CG1 4.05Å; L222-I235 HydrophobicContact CG-CD1 3.99Å; L222-I235 HydrophobicContact CG-CG1 4.32Å; Y233-I235 HydrophobicContact CE1-CG1 4.43Å; Y233-I235 PolarHBondContact O-N 2.9Å; I235-Q238 PolarHBondContact O-NE2 2.98Å; I235-I497 HydrophobicContact CD1-CD1 4.29Å; I235-L517 HydrophobicContact CD1-CD1 3.85Å; I235-L517 HydrophobicContact CG1-CD1 4.34Å; I235-L517 HydrophobicContact CG2-CD2 3.97Å
236	E	90.7	Very high	96.7	Very high	167 Å²	167	35.5 Å²	35.5	78%	0.78	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-41.6	-175.6	-62.6	-175.2	178	0	0	111.7	N234 Q238	N234-E236 PolarHBondContact OD1-N 2.83Å; E236-Q238 VanDerWaalsContact C-N 3.31Å
237	E	93	Very high	96.7	Very high	140 Å²	140	36.3 Å²	36.3	65%	0.654	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-7.3	178.7	-66.7	177.9	161.9	0	0	113.5	N234 C239	N234-E237 HydrophobicContact CB-CB 4.1Å; N234-E237 VanDerWaalsContact ND2-CG 3.29Å; N234-E237 WeakPolarHBondContact ND2-CG 3.4Å; N234-E237 PolarHBondContact ND2-OE2 2.84Å; N234-E237 PolarHBondContact OD1-N 2.82Å; E237-C239 HydrophobicContact CB-CB 4.36Å; E237-C239 PolarHBondContact O-N 2.84Å; E237-C239 PolarHBondContact OE2-SG 2.92Å
238	Q	92.8	Very high	96.6	Very high	76 Å²	76	37.3 Å²	37.3	36%	0.355	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	40.5	-172.4	-69.8	-68.7	-74	0	0	112.6	W201 Y233 N234 I235 E236	W201-Q238 VanDerWaalsContact CZ3-O 3.3Å; W201-Q238 WeakPolarHBondContact CZ3-O 3.42Å; Y233-Q238 PolarHBondContact OH-NE2 3.49Å; N234-Q238 WeakPolarHBondContact O-CA 3.48Å; N234-Q238 PolarHBondContact O-N 2.99Å; N234-Q238 VanDerWaalsContact O-N 3.11Å; I235-Q238 PolarHBondContact O-NE2 2.98Å; E236-Q238 VanDerWaalsContact C-N 3.31Å
239	C	95.6	Very high	96.6	Very high	45 Å²	45	38.7 Å²	38.7	30%	0.304	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	147.4	-177.7	80.5	0	0	0	0	112.1	N234 E237	N234-C239 PolarHBondContact N-O 3.03Å; N234-C239 PolarHBondContact O-N 2.88Å; E237-C239 HydrophobicContact CB-CB 4.36Å; E237-C239 PolarHBondContact O-N 2.84Å; E237-C239 PolarHBondContact OE2-SG 2.92Å
240	Q	97.8	Very high	96.6	Very high	20 Å²	20	38.7 Å²	38.7	9%	0.093	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	147.8	172	-75.4	-179.3	6.7	0	0	111.7	W201 I202 V231 L232 Y233 H242	W201-Q240 VanDerWaalsContact CD2-CD 3.49Å; W201-Q240 HydrophobicContact CD2-CG 3.96Å; W201-Q240 HydrophobicContact CE3-CB 3.91Å; W201-Q240 HydrophobicContact CE3-CG 3.62Å; W201-Q240 HydrophobicContact CH2-CG 3.9Å; W201-Q240 HydrophobicContact CZ2-CG 4.17Å; W201-Q240 HydrophobicContact CZ3-CB 4.09Å; W201-Q240 HydrophobicContact CZ3-CG 3.61Å; I202-Q240 PolarHBondContact O-NE2 2.75Å; V231-Q240 HydrophobicContact CG1-CB 4.29Å; V231-Q240 HydrophobicContact CG1-CG 3.76Å; L232-Q240 CarbonylContact O-C 3.53Å; L232-Q240 VanDerWaalsContact O-CA 3.3Å; L232-Q240 WeakPolarHBondContact O-CA 3.46Å; Y233-Q240 HydrophobicContact CD2-CG 4.17Å; Y233-Q240 HydrophobicContact CG-CG 4.33Å; Q240-H242 WeakPolarHBondContact CB-NE2 3.29Å; Q240-H242 PolarHBondContact OE1-NE2 2.88Å
241	R	98.1	Very high	96.6	Very high	72 Å²	72	40.4 Å²	40.4	27%	0.272	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	150.5	163.7	-48.9	-173.8	-64	132.4	-2.4	108.9	E221 L232 S284 V285 L287	E221-R241 VanDerWaalsContact CD-NH2 3.25Å; E221-R241 IonicContact OE1-CZ 3.18Å; E221-R241 IonicContact OE1-NE 3.16Å; E221-R241 PolarHBondContact OE1-NE 2.88Å; E221-R241 IonicContact OE1-NH2 2.94Å; E221-R241 PolarHBondContact OE1-NH2 2.89Å; E221-R241 IonicContact OE2-NH2 3.58Å; E221-R241 PolarHBondContact OE2-NH2 3.4Å; L232-R241 HydrophobicContact CB-CB 4.42Å; L232-R241 PolarHBondContact N-O 2.85Å; L232-R241 PolarHBondContact O-N 2.76Å; R241-S284 PolarHBondContact NH1-O 2.91Å; R241-S284 PolarHBondContact NH2-O 2.93Å; R241-V285 PolarHBondContact NH1-O 3.49Å; R241-L287 HydrophobicContact CB-CD1 4.08Å
242	H	98.6	Very high	96.6	Very high	25 Å²	25	40.8 Å²	40.8	12%	0.116	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131.3	-168.1	-47.4	92.2	0	0	0	112.1	L199 V229 V230 Q240 L244	L199-H242 HydrophobicContact CD2-CB 3.81Å; L199-H242 VanDerWaalsContact CD2-CG 3.44Å; V229-H242 HydrophobicContact CG1-CB 3.89Å; V230-H242 WeakPolarHBondContact O-CA 3.29Å; Q240-H242 WeakPolarHBondContact CB-NE2 3.29Å; Q240-H242 PolarHBondContact OE1-NE2 2.88Å; H242-L244 HydrophobicContact CB-CD1 4.46Å; H242-L244 HydrophobicContact CB-CD2 3.87Å; H242-L244 HydrophobicContact CB-CG 3.99Å
243	Y	98.6	Very high	96.6	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	107.8	168.5	-179.3	-107.2	0	0	0	109.1	V230 E245 H246 R280 W282 L287 T289	V230-Y243 HydrophobicContact CG2-CD1 3.96Å; V230-Y243 PolarHBondContact N-O 2.91Å; V230-Y243 PolarHBondContact O-N 2.93Å; Y243-E245 HydrophobicContact CD1-CB 4.41Å; Y243-E245 HydrophobicContact CD2-CB 4.38Å; Y243-E245 HydrophobicContact CD2-CG 4.3Å; Y243-E245 HydrophobicContact CE1-CB 3.83Å; Y243-E245 HydrophobicContact CE2-CB 3.78Å; Y243-E245 HydrophobicContact CE2-CG 3.71Å; Y243-E245 VanDerWaalsContact CZ-CB 3.49Å; Y243-H246 AromaticContact CE1-CD2 3.94Å; Y243-R280 HydrophobicContact CE1-CB 4.4Å; Y243-R280 WeakPolarHBondContact OH-CB 3.41Å; Y243-R280 WeakPolarHBondContact OH-CD 3.35Å; Y243-W282 HydrophobicContact CD1-CD2 4.01Å; Y243-W282 AromaticContact CD1-CE2 3.72Å; Y243-W282 HydrophobicContact CD1-CG 4.27Å; Y243-W282 HydrophobicContact CD1-CZ2 4.11Å; Y243-W282 AromaticContact CD1-NE1 3.78Å; Y243-W282 HydrophobicContact CD2-CB 4.38Å; Y243-W282 AromaticContact CD2-CD2 3.84Å; Y243-W282 HydrophobicContact CD2-CD2 3.84Å; Y243-W282 AromaticContact CD2-CE3 3.87Å; Y243-W282 HydrophobicContact CD2-CE3 3.87Å; Y243-W282 HydrophobicContact CD2-CG 4.09Å; Y243-W282 HydrophobicContact CD2-CZ3 4.43Å; Y243-W282 AromaticContact CE1-CD1 3.5Å; Y243-W282 HydrophobicContact CE1-CD2 4.07Å; Y243-W282 AromaticContact CE1-CE2 3.94Å; Y243-W282 AromaticContact CE1-CG 3.83Å; Y243-W282 HydrophobicContact CE1-CG 3.83Å; Y243-W282 AromaticContact CE1-NE1 3.56Å; Y243-W282 HydrophobicContact CE2-CB 3.64Å; Y243-W282 AromaticContact CE2-CD2 3.93Å; Y243-W282 HydrophobicContact CE2-CD2 3.93Å; Y243-W282 HydrophobicContact CE2-CE3 4.3Å; Y243-W282 AromaticContact CE2-CG 3.65Å; Y243-W282 HydrophobicContact CE2-CG 3.65Å; Y243-W282 AromaticContact CG-CD2 3.88Å; Y243-W282 HydrophobicContact CG-CD2 3.88Å; Y243-W282 AromaticContact CG-CE2 3.95Å; Y243-W282 HydrophobicContact CG-CE3 4.03Å; Y243-W282 HydrophobicContact CG-CG 4.37Å; Y243-W282 HydrophobicContact CG-CH2 4.34Å; Y243-W282 HydrophobicContact CG-CZ2 4.2Å; Y243-W282 HydrophobicContact CG-CZ3 4.25Å; Y243-W282 AromaticContact CZ-CD1 3.51Å; Y243-W282 AromaticContact CZ-CG 3.49Å; Y243-W282 VanDerWaalsContact CZ-CG 3.49Å; Y243-L287 WeakPolarHBondContact CD2-O 3.26Å; Y243-L287 WeakPolarHBondContact CE2-O 3.47Å; Y243-T289 PolarHBondContact OH-OG1 3.43Å
244	L	97.8	Very high	96.6	Very high	57 Å²	57	41.4 Å²	41.4	30%	0.298	20%	0.202	S	C	.	.			trans	-107.1	19.1	-166.5	-59.9	177	0	0	0	114.2	L199 V229 H242	L199-L244 HydrophobicContact CB-CD1 4.41Å; L199-L244 HydrophobicContact CD2-CD1 4.11Å; L199-L244 HydrophobicContact CD2-CD2 3.66Å; L199-L244 HydrophobicContact CD2-CG 4.43Å; V229-L244 HydrophobicContact CB-CD2 4.15Å; V229-L244 HydrophobicContact CG1-CD2 3.61Å; V229-L244 HydrophobicContact CG2-CD2 3.47Å; V229-L244 VanDerWaalsContact CG2-CD2 3.47Å; H242-L244 HydrophobicContact CB-CD1 4.46Å; H242-L244 HydrophobicContact CB-CD2 3.87Å; H242-L244 HydrophobicContact CB-CG 3.99Å
245	E	97.4	Very high	96.7	Very high	91 Å²	91	41.4 Å²	41.4	43%	0.425	20%	0.202	S	C	.	.			trans	-86.9	-15.7	-171	-81.8	-73	132.9	0	0	113.8	Y243 R280	Y243-E245 HydrophobicContact CD1-CB 4.41Å; Y243-E245 HydrophobicContact CD2-CB 4.38Å; Y243-E245 HydrophobicContact CD2-CG 4.3Å; Y243-E245 HydrophobicContact CE1-CB 3.83Å; Y243-E245 HydrophobicContact CE2-CB 3.78Å; Y243-E245 HydrophobicContact CE2-CG 3.71Å; Y243-E245 VanDerWaalsContact CZ-CB 3.49Å; E245-R280 PolarHBondContact O-NE 3.11Å; E245-R280 PolarHBondContact O-NH2 3.02Å; E245-R280 IonicContact OE2-CZ 3.54Å; E245-R280 IonicContact OE2-NH1 2.72Å; E245-R280 PolarHBondContact OE2-NH1 3.27Å; E245-R280 IonicContact OE2-NH2 3.23Å
246	H	98.1	Very high	97.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.198	C	C	.	.			trans	-75.3	147.1	171.3	-77.2	-71.8	0	0	0	110.8	A228 Y243 V250 T264 Q266 H278	A228-H246 HydrophobicContact CB-CB 4.47Å; A228-H246 WeakPolarHBondContact O-CB 3.31Å; Y243-H246 AromaticContact CE1-CD2 3.94Å; H246-V250 HydrophobicContact CB-CG2 3.98Å; H246-T264 WeakPolarHBondContact NE2-CB 3.45Å; H246-T264 PolarHBondContact NE2-OG1 3.41Å; H246-Q266 HydrophobicContact CB-CG 4.38Å; H246-Q266 PolarHBondContact ND1-OE1 3.09Å; H246-H278 AromaticContact ND1-NE2 4Å
247	T	96.5	Very high	97.4	Very high	18 Å²	18	34.9 Å²	34.9	11%	0.11	18%	0.175	C	C	.	.	S	Bend	trans	-107	-6.4	-176.5	58.3	0	0	0	0	113.6	Q266 D271 F274	T247-Q266 PolarHBondContact OG1-NE2 2.93Å; T247-Q266 PolarHBondContact OG1-OE1 3.07Å; T247-D271 HydrophobicContact CG2-CB 4.04Å; T247-F274 HydrophobicContact CG2-CB 3.97Å; T247-F274 PolarHBondContact OG1-O 3.24Å
248	D	97.7	Very high	97.6	Very high	20 Å²	20	31.6 Å²	31.6	11%	0.107	16%	0.161	C	C	.	.	S	Bend	trans	-155	-178	-179.3	-151.2	-77	0	0	0	108.4	A228 V250 Q266 G269	A228-D248 WeakPolarHBondContact CA-O 3.46Å; A228-D248 WeakPolarHBondContact CB-O 3.29Å; D248-V250 PolarHBondContact O-N 2.84Å; D248-Q266 HydrophobicContact CB-CG 4.18Å; D248-Q266 WeakPolarHBondContact O-CG 3.34Å; D248-G269 WeakPolarHBondContact OD2-CA 3.41Å
249	D	98.1	Very high	97.7	Very high	31 Å²	31	35 Å²	35	17%	0.166	17%	0.171	C	C	.	.			trans	-41.3	119.5	-178.1	-89.4	-13.1	0	0	0	113.9	R206 K251 Q266 S267 S808	R206-D249 IonicContact CZ-OD1 3.1Å; R206-D249 IonicContact CZ-OD2 3.67Å; R206-D249 IonicContact NH1-OD1 3.34Å; R206-D249 PolarHBondContact NH1-OD1 2.92Å; R206-D249 IonicContact NH1-OD2 2.73Å; R206-D249 PolarHBondContact NH1-OD2 3.02Å; R206-D249 IonicContact NH2-OD1 3.78Å; R206-D249 IonicContact NH2-OD2 3.14Å; R206-D249 PolarHBondContact NH2-OD2 2.84Å; D249-K251 HydrophobicContact CB-CD 4.27Å; D249-K251 HydrophobicContact CB-CG 4.34Å; D249-Q266 CarbonylContact O-C 3.39Å; D249-Q266 WeakPolarHBondContact O-CA 3.25Å; D249-Q266 WeakPolarHBondContact O-CG 3.35Å; D249-S267 PolarHBondContact O-N 3.15Å; D249-S808 VanDerWaalsContact OD1-CB 3.24Å; D249-S808 WeakPolarHBondContact OD1-CB 3.18Å; D249-S808 PolarHBondContact OD1-OG 3.29Å
250	V	98.7	Very high	97.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	126.9	161.3	-174.6	0	0	0	0	108	F225 A227 V230 H246 D248 T264	F225-V250 HydrophobicContact CB-CB 3.99Å; F225-V250 HydrophobicContact CB-CG1 3.94Å; F225-V250 HydrophobicContact CD1-CB 4.33Å; F225-V250 HydrophobicContact CD1-CG1 3.53Å; F225-V250 HydrophobicContact CD2-CB 4.01Å; F225-V250 HydrophobicContact CD2-CG1 4.06Å; F225-V250 WeakPolarHBondContact CD2-O 3.38Å; F225-V250 HydrophobicContact CE1-CG1 3.94Å; F225-V250 HydrophobicContact CE2-CG1 4.46Å; F225-V250 WeakPolarHBondContact CE2-O 3.49Å; F225-V250 HydrophobicContact CG-CB 3.87Å; F225-V250 HydrophobicContact CG-CG1 3.59Å; F225-V250 HydrophobicContact CZ-CG1 4.41Å; A227-V250 PolarHBondContact O-N 3.02Å; V230-V250 HydrophobicContact CG2-CG2 4.45Å; H246-V250 HydrophobicContact CB-CG2 3.98Å; D248-V250 PolarHBondContact O-N 2.84Å; V250-T264 HydrophobicContact CG1-CG2 4.24Å
251	K	98	Very high	97.8	Very high	36 Å²	36	36 Å²	36	16%	0.157	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	-24.5	-175.2	-70.1	-64.5	-60.5	-165.7	0	114.4	D209 C210 F225 D249 G265 S267 S301	D209-K251 IonicContact OD2-NZ 3.85Å; D209-K251 PolarHBondContact OD2-NZ 3.02Å; C210-K251 PolarHBondContact SG-O 3.47Å; C210-K251 VanDerWaalsContact SG-O 3.39Å; F225-K251 VanDerWaalsContact CZ-C 3.44Å; F225-K251 WeakPolarHBondContact CZ-O 3.37Å; D249-K251 HydrophobicContact CB-CD 4.27Å; D249-K251 HydrophobicContact CB-CG 4.34Å; K251-G265 PolarHBondContact N-O 2.87Å; K251-S267 VanDerWaalsContact CG-OG 3.25Å; K251-S267 WeakPolarHBondContact CG-OG 3.28Å; K251-S301 WeakPolarHBondContact CG-OG 3.3Å
252	C	98.5	Very high	97.8	Very high	7 Å²	7	32.6 Å²	32.6	5%	0.047	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	157.6	176.6	60.8	0	0	0	0	112.5	T264 G265 V302 C303 L305	C252-T264 WeakPolarHBondContact O-CA 3.44Å; C252-G265 PolarHBondContact O-N 2.85Å; C252-V302 PolarHBondContact SG-O 2.85Å; C252-C303 WeakPolarHBondContact CB-O 3.34Å; C252-L305 VanDerWaalsContact SG-CG 3.59Å
253	I	98.7	Very high	97.9	Very high	10 Å²	10	31.4 Å²	31.4	5%	0.051	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	144.8	-180	-172.7	164.8	0	0	0	109.8	N213 I223 F225 V230 I255 V262 A263 T264	N213-I253 HydrophobicContact CB-CG2 4.15Å; I223-I253 HydrophobicContact CD1-CD1 3.77Å; I223-I253 HydrophobicContact CG1-CD1 3.78Å; F225-I253 HydrophobicContact CD1-CB 4.14Å; F225-I253 HydrophobicContact CD1-CG2 4.16Å; F225-I253 HydrophobicContact CE1-CB 3.97Å; F225-I253 HydrophobicContact CE1-CG2 3.82Å; V230-I253 HydrophobicContact CG1-CD1 3.92Å; I253-I255 HydrophobicContact CD1-CD1 4.38Å; I253-I255 HydrophobicContact CG1-CD1 4.32Å; I253-V262 HydrophobicContact CD1-CG1 3.83Å; I253-V262 HydrophobicContact CG1-CG1 3.76Å; I253-A263 CarbonylContact C-O 3.59Å; I253-A263 VanDerWaalsContact CA-O 3.31Å; I253-A263 WeakPolarHBondContact CA-O 3.35Å; I253-T264 HydrophobicContact CB-CG2 3.89Å; I253-T264 HydrophobicContact CD1-CG2 3.89Å; I253-T264 HydrophobicContact CG1-CG2 3.63Å
254	A	98.5	Very high	97.9	Very high	8 Å²	8	31.3 Å²	31.3	7%	0.066	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	134.6	171.5	0	0	0	0	0	110.5	A263 L305 F307	A254-A263 PolarHBondContact N-O 2.93Å; A254-A263 PolarHBondContact O-N 2.84Å; A254-L305 HydrophobicContact CB-CB 3.72Å; A254-F307 HydrophobicContact CB-CD2 4.06Å; A254-F307 HydrophobicContact CB-CE2 4.36Å; A254-F307 WeakPolarHBondContact O-CE2 3.45Å
255	I	97.9	Very high	97.9	Very high	16 Å²	16	28.6 Å²	28.6	8%	0.082	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	129.9	175.3	-46.4	-56.2	0	0	0	109.1	H215 L217 I223 I253 V262	H215-I255 HydrophobicContact CB-CG1 4.17Å; L217-I255 HydrophobicContact CD2-CD1 4.33Å; L217-I255 HydrophobicContact CD2-CG2 4.27Å; I223-I255 HydrophobicContact CD1-CD1 4.33Å; I223-I255 HydrophobicContact CG2-CD1 3.89Å; I253-I255 HydrophobicContact CD1-CD1 4.38Å; I253-I255 HydrophobicContact CG1-CD1 4.32Å; I255-V262 HydrophobicContact CD1-CG1 4.12Å; I255-V262 HydrophobicContact CD1-CG2 4.02Å
256	H	98.4	Very high	98	Very high	13 Å²	13	24.3 Å²	24.3	6%	0.06	12%	0.121	C	C	.	.			trans	-73.4	155.9	178.2	-176.3	-99.8	0	0	0	111.1	D258 R259 T261 F307 S312 G313 W332	H256-D258 WeakPolarHBondContact CB-OD1 3.27Å; H256-D258 IonicContact CE1-OD2 3.34Å; H256-D258 IonicContact CG-OD1 2.94Å; H256-D258 PolarHBondContact ND1-N 2.85Å; H256-D258 IonicContact ND1-OD1 2.88Å; H256-D258 PolarHBondContact ND1-OD1 2.87Å; H256-D258 IonicContact ND1-OD2 3.64Å; H256-D258 PolarHBondContact ND1-OD2 2.97Å; H256-D258 PolarHBondContact O-N 3.48Å; H256-D258 VanDerWaalsContact O-N 3.13Å; H256-R259 PolarHBondContact O-N 3.19Å; H256-T261 HydrophobicContact CB-CG2 4.16Å; H256-T261 WeakPolarHBondContact CB-O 3.33Å; H256-T261 PolarHBondContact N-O 2.98Å; H256-F307 HydrophobicContact CB-CD2 3.79Å; H256-F307 HydrophobicContact CB-CE2 3.75Å; H256-F307 HydrophobicContact CB-CG 4.19Å; H256-F307 HydrophobicContact CB-CZ 4.12Å; H256-F307 AromaticContact CD2-CD1 3.58Å; H256-F307 AromaticContact CD2-CE1 3.73Å; H256-F307 AromaticContact CD2-CG 3.86Å; H256-S312 PolarHBondContact CE1-O 3.01Å; H256-S312 VanDerWaalsContact CE1-O 3.24Å; H256-S312 PolarHBondContact NE2-O 2.85Å; H256-G313 WeakPolarHBondContact NE2-CA 3.43Å; H256-G313 PolarHBondContact NE2-O 2.99Å; H256-W332 AromaticContact NE2-CZ2 3.85Å
257	P	96.9	Very high	97.9	Very high	46 Å²	46	25 Å²	25	30%	0.299	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.9	-179.8	-28.9	37.3	0	0	0	115.6	R259 S308 K309	P257-R259 PolarHBondContact O-N 2.89Å; P257-S308 VanDerWaalsContact CG-O 3.26Å; P257-S308 WeakPolarHBondContact CG-O 3.4Å; P257-K309 HydrophobicContact CG-CD 3.93Å
258	D	96.4	Very high	97.9	Very high	70 Å²	70	26.5 Å²	26.5	37%	0.374	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-8.3	175.5	71	-4.6	0	0	0	114.4	H256 I260 T261	H256-D258 WeakPolarHBondContact CB-OD1 3.27Å; H256-D258 IonicContact CE1-OD2 3.34Å; H256-D258 IonicContact CG-OD1 2.94Å; H256-D258 PolarHBondContact ND1-N 2.85Å; H256-D258 IonicContact ND1-OD1 2.88Å; H256-D258 PolarHBondContact ND1-OD1 2.87Å; H256-D258 IonicContact ND1-OD2 3.64Å; H256-D258 PolarHBondContact ND1-OD2 2.97Å; H256-D258 PolarHBondContact O-N 3.48Å; H256-D258 VanDerWaalsContact O-N 3.13Å; D258-I260 PolarHBondContact O-N 2.93Å; D258-I260 VanDerWaalsContact O-N 3.15Å; D258-I260 PolarHBondContact OD1-N 3.34Å; D258-T261 PolarHBondContact OD1-N 3.11Å; D258-T261 WeakPolarHBondContact OD2-CB 3.21Å; D258-T261 PolarHBondContact OD2-OG1 3.31Å
259	R	95.7	Very high	97.7	Very high	148 Å²	148	26.7 Å²	26.7	56%	0.558	15%	0.146	S	C	*	.	S	Bend	trans	60.1	13.7	-175.9	-50.3	-59.6	-172.4	151.4	2.9	115.3	P218 H256 P257	P218-R259 HydrophobicContact CG-CB 3.73Å; P218-R259 HydrophobicContact CG-CG 4.01Å; H256-R259 PolarHBondContact O-N 3.19Å; P257-R259 PolarHBondContact O-N 2.89Å
260	I	96.9	Very high	97.2	Very high	76 Å²	76	30.5 Å²	30.5	39%	0.39	16%	0.163	S	C	.	.	S	Bend	trans	-120	-42.1	-179.5	-67	168.2	0	0	0	110.8	D258 S284 V285	D258-I260 PolarHBondContact O-N 2.93Å; D258-I260 VanDerWaalsContact O-N 3.15Å; D258-I260 PolarHBondContact OD1-N 3.34Å; I260-S284 WeakPolarHBondContact O-CB 3.45Å; I260-S284 PolarHBondContact O-N 3.13Å; I260-S284 PolarHBondContact O-OG 3.39Å; I260-S284 VanDerWaalsContact O-OG 3.06Å; I260-V285 HydrophobicContact CG1-CG2 4.49Å; I260-V285 HydrophobicContact CG2-CG2 3.95Å
261	T	98.5	Very high	96.8	Very high	11 Å²	11	33.4 Å²	33.4	7%	0.067	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	133	-179.3	-57.3	0	0	0	0	109.9	H256 D258 I281 L290 F307 W332	H256-T261 HydrophobicContact CB-CG2 4.16Å; H256-T261 WeakPolarHBondContact CB-O 3.33Å; H256-T261 PolarHBondContact N-O 2.98Å; D258-T261 PolarHBondContact OD1-N 3.11Å; D258-T261 WeakPolarHBondContact OD2-CB 3.21Å; D258-T261 PolarHBondContact OD2-OG1 3.31Å; T261-I281 HydrophobicContact CG2-CG2 3.47Å; T261-I281 VanDerWaalsContact CG2-CG2 3.47Å; T261-L290 HydrophobicContact CG2-CD1 4.26Å; T261-F307 HydrophobicContact CG2-CZ 4.33Å; T261-W332 HydrophobicContact CG2-CH2 3.97Å; T261-W332 HydrophobicContact CG2-CZ2 4.28Å; T261-W332 HydrophobicContact CG2-CZ3 4.48Å
262	V	98.8	Very high	96.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139.7	-178.6	-177.3	0	0	0	0	109.1	I223 I253 I255 T264 I281 W282	I223-V262 HydrophobicContact CD1-CG1 4.08Å; I223-V262 HydrophobicContact CD1-CG2 3.97Å; I253-V262 HydrophobicContact CD1-CG1 3.83Å; I253-V262 HydrophobicContact CG1-CG1 3.76Å; I255-V262 HydrophobicContact CD1-CG1 4.12Å; I255-V262 HydrophobicContact CD1-CG2 4.02Å; V262-T264 HydrophobicContact CG1-CG2 4.29Å; V262-I281 CarbonylContact O-C 3.57Å; V262-I281 VanDerWaalsContact O-CA 3.29Å; V262-I281 WeakPolarHBondContact O-CA 3.39Å; V262-W282 HydrophobicContact CB-CD2 4.05Å; V262-W282 HydrophobicContact CB-CE3 4.49Å; V262-W282 HydrophobicContact CB-CH2 4.29Å; V262-W282 HydrophobicContact CB-CZ2 3.82Å; V262-W282 HydrophobicContact CG1-CD2 4.48Å; V262-W282 HydrophobicContact CG1-CH2 4.23Å; V262-W282 HydrophobicContact CG1-CZ2 3.47Å; V262-W282 VanDerWaalsContact CG1-CZ2 3.47Å; V262-W282 HydrophobicContact CG2-CH2 4.37Å; V262-W282 HydrophobicContact CG2-CZ2 4.36Å; V262-W282 PolarHBondContact N-O 3.02Å; V262-W282 PolarHBondContact O-N 2.91Å
263	A	98.9	Very high	96.1	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.3	168.7	0	0	0	0	0	110.6	I253 A254 V279 R280 I281 L305 F307 L316	I253-A263 CarbonylContact C-O 3.59Å; I253-A263 VanDerWaalsContact CA-O 3.31Å; I253-A263 WeakPolarHBondContact CA-O 3.35Å; A254-A263 PolarHBondContact N-O 2.93Å; A254-A263 PolarHBondContact O-N 2.84Å; A263-V279 HydrophobicContact CB-CG1 4.24Å; A263-R280 CarbonylContact C-O 3.54Å; A263-R280 VanDerWaalsContact CA-O 3.29Å; A263-R280 WeakPolarHBondContact CA-O 3.5Å; A263-I281 HydrophobicContact CB-CG1 4.02Å; A263-L305 HydrophobicContact CB-CD1 4.18Å; A263-F307 HydrophobicContact CB-CE2 3.57Å; A263-F307 HydrophobicContact CB-CZ 3.54Å; A263-L316 HydrophobicContact CB-CD1 4.23Å; A263-L316 HydrophobicContact CB-CD2 3.83Å
264	T	98.9	Very high	95.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	137	178	41.9	0	0	0	0	112.1	V230 H246 V250 C252 I253 V262 V279 R280 W282	V230-T264 HydrophobicContact CG2-CG2 3.82Å; H246-T264 WeakPolarHBondContact NE2-CB 3.45Å; H246-T264 PolarHBondContact NE2-OG1 3.41Å; V250-T264 HydrophobicContact CG1-CG2 4.24Å; C252-T264 WeakPolarHBondContact O-CA 3.44Å; I253-T264 HydrophobicContact CB-CG2 3.89Å; I253-T264 HydrophobicContact CD1-CG2 3.89Å; I253-T264 HydrophobicContact CG1-CG2 3.63Å; V262-T264 HydrophobicContact CG1-CG2 4.29Å; T264-V279 WeakPolarHBondContact O-CA 3.41Å; T264-R280 PolarHBondContact N-O 2.88Å; T264-R280 PolarHBondContact O-N 2.9Å; T264-W282 HydrophobicContact CG2-CZ2 4.43Å; T264-W282 PolarHBondContact OG1-NE1 3.14Å
265	G	98.7	Very high	95.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	138.8	-177.1	0	0	0	0	0	112.4	K251 C252	K251-G265 PolarHBondContact N-O 2.87Å; C252-G265 PolarHBondContact O-N 2.85Å
266	Q	98.4	Very high	95.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	151.9	-175.4	-153.4	-169.6	-84.6	0	0	113.3	H246 T247 D248 D249 F274 H278 V302	H246-Q266 HydrophobicContact CB-CG 4.38Å; H246-Q266 PolarHBondContact ND1-OE1 3.09Å; T247-Q266 PolarHBondContact OG1-NE2 2.93Å; T247-Q266 PolarHBondContact OG1-OE1 3.07Å; D248-Q266 HydrophobicContact CB-CG 4.18Å; D248-Q266 WeakPolarHBondContact O-CG 3.34Å; D249-Q266 CarbonylContact O-C 3.39Å; D249-Q266 WeakPolarHBondContact O-CA 3.25Å; D249-Q266 WeakPolarHBondContact O-CG 3.35Å; Q266-F274 PolarHBondContact NE2-O 2.89Å; Q266-H278 PolarHBondContact N-O 2.87Å; Q266-H278 VanDerWaalsContact N-O 3.07Å; Q266-H278 PolarHBondContact OE1-CE1 2.8Å; Q266-V302 PolarHBondContact O-N 2.84Å
267	S	97.7	Very high	95.5	Very high	16 Å²	16	53.9 Å²	53.9	11%	0.112	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-70.5	165.1	159.9	-65.1	0	0	0	0	113.8	D249 K251 S301	D249-S267 PolarHBondContact O-N 3.15Å; K251-S267 VanDerWaalsContact CG-OG 3.25Å; K251-S267 WeakPolarHBondContact CG-OG 3.28Å; S267-S301 VanDerWaalsContact CA-OG 3.29Å; S267-S301 WeakPolarHBondContact CA-OG 3.27Å; S267-S301 PolarHBondContact N-OG 3.35Å; S267-S301 PolarHBondContact OG-OG 3.23Å
268	A	96.6	Very high	95.6	Very high	49 Å²	49	51.7 Å²	51.7	41%	0.405	26%	0.255	S	S	.	.			trans	-69.8	142	163.1	0	0	0	0	0	110.5	G275 P277 R300	A268-G275 CarbonylContact C-O 3.58Å; A268-G275 WeakPolarHBondContact CA-O 3.38Å; A268-P277 HydrophobicContact CB-CG 3.81Å; A268-R300 WeakPolarHBondContact CB-O 3.39Å; A268-R300 PolarHBondContact N-O 3.07Å
269	G	93.3	Very high	95.7	Very high	23 Å²	23	48.3 Å²	48.3	24%	0.237	24%	0.237	C	C	.	.			trans	-150.1	-174.5	-175.2	0	0	0	0	0	113.5	D248 G275	D248-G269 WeakPolarHBondContact OD2-CA 3.41Å; G269-G275 PolarHBondContact N-O 3.08Å
270	H	87.1	Confident	95.8	Very high	111 Å²	111	41.5 Å²	41.5	51%	0.514	21%	0.211	S	C	.	.	S	Bend	trans	-87.8	-4.3	-172.6	-59.7	-88.6	0	0	0	114.7	D35 Y784	D35-H270 IonicContact OD1-CE1 3.67Å; D35-H270 PolarHBondContact OD1-CE1 2.97Å; D35-H270 IonicContact OD1-ND1 3.72Å; D35-H270 PolarHBondContact OD1-ND1 2.84Å; D35-H270 VanDerWaalsContact OD1-ND1 3.07Å; H270-Y784 HydrophobicContact CB-CD1 4.47Å
271	D	90.8	Very high	95.9	Very high	61 Å²	61	37.9 Å²	37.9	33%	0.326	19%	0.193	S	C	.	.			trans	-66	139.1	-179.3	-178.6	-94.1	0	0	0	113.3	T247 Q273 F274 G275	T247-D271 HydrophobicContact CG2-CB 4.04Å; D271-Q273 VanDerWaalsContact C-N 3.34Å; D271-Q273 PolarHBondContact O-N 2.94Å; D271-Q273 PolarHBondContact OD1-N 2.87Å; D271-F274 PolarHBondContact OD1-N 3.25Å; D271-G275 VanDerWaalsContact O-CA 3.26Å; D271-G275 WeakPolarHBondContact O-CA 3.41Å; D271-G275 PolarHBondContact O-N 2.99Å; D271-G275 VanDerWaalsContact O-N 3.09Å
272	K	88.7	Confident	95.9	Very high	189 Å²	189	37.4 Å²	37.4	82%	0.822	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-23.7	-171.4	-66.7	177.5	-179	172.4	0	114.2
273	Q	91.5	Very high	95.9	Very high	141 Å²	141	38 Å²	38	66%	0.659	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.4	-41.6	-174.6	-174.8	173.8	-11.5	0	0	112.4	D271	D271-Q273 VanDerWaalsContact C-N 3.34Å; D271-Q273 PolarHBondContact O-N 2.94Å; D271-Q273 PolarHBondContact OD1-N 2.87Å
274	F	93.7	Very high	95.9	Very high	46 Å²	46	38.1 Å²	38.1	20%	0.202	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	9.5	-174.3	-60	-71.2	0	0	0	113.6	T247 Q266 D271 K276 H278 I292 L295	T247-F274 HydrophobicContact CG2-CB 3.97Å; T247-F274 PolarHBondContact OG1-O 3.24Å; Q266-F274 PolarHBondContact NE2-O 2.89Å; D271-F274 PolarHBondContact OD1-N 3.25Å; F274-K276 PolarHBondContact O-N 2.82Å; F274-K276 VanDerWaalsContact O-N 3.15Å; F274-H278 PolarHBondContact O-CE1 2.92Å; F274-H278 VanDerWaalsContact O-CE1 3.27Å; F274-H278 PolarHBondContact O-ND1 3.27Å; F274-I292 HydrophobicContact CD1-CD1 4.4Å; F274-I292 HydrophobicContact CE1-CD1 3.76Å; F274-I292 HydrophobicContact CZ-CD1 4.31Å; F274-L295 HydrophobicContact CD1-CD1 4.3Å; F274-L295 HydrophobicContact CD1-CD2 4.16Å; F274-L295 HydrophobicContact CE1-CD2 4.22Å
275	G	93	Very high	95.7	Very high	7 Å²	7	42.4 Å²	42.4	7%	0.072	22%	0.221	C	C	.	.			trans	-69.5	-0.8	173.8	0	0	0	0	0	114.9	A268 G269 D271	A268-G275 CarbonylContact C-O 3.58Å; A268-G275 WeakPolarHBondContact CA-O 3.38Å; G269-G275 PolarHBondContact N-O 3.08Å; D271-G275 VanDerWaalsContact O-CA 3.26Å; D271-G275 WeakPolarHBondContact O-CA 3.41Å; D271-G275 PolarHBondContact O-N 2.99Å; D271-G275 VanDerWaalsContact O-N 3.09Å
276	K	97	Very high	95.6	Very high	129 Å²	129	45.9 Å²	45.9	56%	0.561	24%	0.239	S	C	*	.	S	Bend	trans	-85.6	148	167.3	-67.3	-166.9	-178	-175.8	0	110.4	F274 H278 L295	F274-K276 PolarHBondContact O-N 2.82Å; F274-K276 VanDerWaalsContact O-N 3.15Å; K276-H278 PolarHBondContact O-N 2.95Å; K276-H278 PolarHBondContact O-ND1 3.36Å; K276-L295 HydrophobicContact CB-CD1 4.18Å
277	P	98.3	Very high	95.6	Very high	8 Å²	8	47.9 Å²	47.9	5%	0.052	25%	0.25	C	C	.	.			trans	-53.9	135.6	172.6	-21.4	32.4	0	0	0	110.5	A268 F298 R300 V302	A268-P277 HydrophobicContact CB-CG 3.81Å; P277-F298 HydrophobicContact CB-CB 3.92Å; P277-R300 VanDerWaalsContact CG-C 3.47Å; P277-R300 WeakPolarHBondContact CG-O 3.29Å; P277-V302 HydrophobicContact CB-CG2 4.43Å
278	H	98.5	Very high	95.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.271	C	S	.	.			trans	-158.5	165.9	-179.1	63.8	-86.1	0	0	0	109.6	H246 Q266 F274 K276 R280 I292 L295	H246-H278 AromaticContact ND1-NE2 4Å; Q266-H278 PolarHBondContact N-O 2.87Å; Q266-H278 VanDerWaalsContact N-O 3.07Å; Q266-H278 PolarHBondContact OE1-CE1 2.8Å; F274-H278 PolarHBondContact O-CE1 2.92Å; F274-H278 VanDerWaalsContact O-CE1 3.27Å; F274-H278 PolarHBondContact O-ND1 3.27Å; K276-H278 PolarHBondContact O-N 2.95Å; K276-H278 PolarHBondContact O-ND1 3.36Å; H278-R280 PolarHBondContact NE2-NE 2.81Å; H278-I292 HydrophobicContact CB-CG2 4.33Å; H278-L295 HydrophobicContact CB-CB 4.35Å; H278-L295 HydrophobicContact CB-CD1 4.05Å
279	V	98.8	Very high	95.7	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.9	172.3	178.6	0	0	0	0	108.7	A263 T264 I281 I292 I293 F298 V302 L305 L316	A263-V279 HydrophobicContact CB-CG1 4.24Å; T264-V279 WeakPolarHBondContact O-CA 3.41Å; V279-I281 HydrophobicContact CG1-CD1 4.17Å; V279-I292 WeakPolarHBondContact O-CA 3.42Å; V279-I293 HydrophobicContact CB-CD1 4.24Å; V279-I293 HydrophobicContact CB-CG1 3.72Å; V279-I293 HydrophobicContact CG1-CD1 4.4Å; V279-I293 HydrophobicContact CG1-CG1 4.27Å; V279-I293 PolarHBondContact N-O 3.18Å; V279-I293 VanDerWaalsContact N-O 3.09Å; V279-I293 PolarHBondContact O-N 2.95Å; V279-F298 HydrophobicContact CB-CE2 4.48Å; V279-F298 HydrophobicContact CG2-CE2 3.74Å; V279-F298 HydrophobicContact CG2-CZ 4.11Å; V279-V302 HydrophobicContact CG2-CB 4.31Å; V279-V302 HydrophobicContact CG2-CG1 3.84Å; V279-V302 HydrophobicContact CG2-CG2 4.05Å; V279-L305 HydrophobicContact CG1-CD1 4.03Å; V279-L305 HydrophobicContact CG1-CD2 4Å; V279-L305 HydrophobicContact CG2-CD2 3.83Å; V279-L316 HydrophobicContact CG1-CD2 4.08Å
280	R	98.7	Very high	95.9	Very high	5 Å²	5	55.6 Å²	55.6	2%	0.019	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	135.3	171.3	-63.8	-173	164.6	-115.3	15.5	109	Y243 E245 A263 T264 H278 T289 I292	Y243-R280 HydrophobicContact CE1-CB 4.4Å; Y243-R280 WeakPolarHBondContact OH-CB 3.41Å; Y243-R280 WeakPolarHBondContact OH-CD 3.35Å; E245-R280 PolarHBondContact O-NE 3.11Å; E245-R280 PolarHBondContact O-NH2 3.02Å; E245-R280 IonicContact OE2-CZ 3.54Å; E245-R280 IonicContact OE2-NH1 2.72Å; E245-R280 PolarHBondContact OE2-NH1 3.27Å; E245-R280 IonicContact OE2-NH2 3.23Å; A263-R280 CarbonylContact C-O 3.54Å; A263-R280 VanDerWaalsContact CA-O 3.29Å; A263-R280 WeakPolarHBondContact CA-O 3.5Å; T264-R280 PolarHBondContact N-O 2.88Å; T264-R280 PolarHBondContact O-N 2.9Å; H278-R280 PolarHBondContact NE2-NE 2.81Å; R280-T289 PolarHBondContact NH1-OG1 3.09Å; R280-I292 HydrophobicContact CG-CG1 4.4Å
281	I	98.8	Very high	96.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.8	171	-56.1	89.4	0	0	0	107.1	T261 V262 A263 V279 L290 K291 I293 F307 L316 W332	T261-I281 HydrophobicContact CG2-CG2 3.47Å; T261-I281 VanDerWaalsContact CG2-CG2 3.47Å; V262-I281 CarbonylContact O-C 3.57Å; V262-I281 VanDerWaalsContact O-CA 3.29Å; V262-I281 WeakPolarHBondContact O-CA 3.39Å; A263-I281 HydrophobicContact CB-CG1 4.02Å; V279-I281 HydrophobicContact CG1-CD1 4.17Å; I281-L290 WeakPolarHBondContact O-CA 3.44Å; I281-L290 WeakPolarHBondContact O-CB 3.14Å; I281-L290 PolarHBondContact O-N 3.27Å; I281-K291 HydrophobicContact CB-CB 4.23Å; I281-K291 HydrophobicContact CD1-CB 4.05Å; I281-K291 PolarHBondContact N-O 3Å; I281-K291 PolarHBondContact O-N 2.89Å; I281-I293 HydrophobicContact CD1-CD1 3.9Å; I281-I293 HydrophobicContact CD1-CG1 3.92Å; I281-I293 HydrophobicContact CD1-CG2 4.09Å; I281-F307 HydrophobicContact CG2-CZ 4.31Å; I281-L316 HydrophobicContact CD1-CD2 4.11Å; I281-L316 HydrophobicContact CG1-CD2 3.98Å; I281-W332 HydrophobicContact CB-CE3 4.27Å; I281-W332 HydrophobicContact CD1-CB 4.26Å; I281-W332 HydrophobicContact CG1-CB 4.45Å; I281-W332 HydrophobicContact CG1-CE3 4.42Å; I281-W332 HydrophobicContact CG2-CD2 4.36Å; I281-W332 HydrophobicContact CG2-CE3 3.76Å; I281-W332 HydrophobicContact CG2-CH2 4.43Å; I281-W332 HydrophobicContact CG2-CZ3 3.81Å
282	W	98.8	Very high	96.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	165.9	-169.2	54.9	-81.9	0	0	0	111.7	I223 V230 L232 Y243 V262 T264 L287 K288	I223-W282 HydrophobicContact CD1-CH2 3.69Å; I223-W282 HydrophobicContact CD1-CZ2 4.09Å; V230-W282 HydrophobicContact CB-CH2 4.2Å; V230-W282 HydrophobicContact CB-CZ2 3.92Å; V230-W282 HydrophobicContact CG1-CH2 4.03Å; V230-W282 HydrophobicContact CG1-CZ2 3.82Å; V230-W282 HydrophobicContact CG2-CZ2 3.92Å; L232-W282 HydrophobicContact CD1-CH2 4Å; L232-W282 HydrophobicContact CD1-CZ3 4.16Å; L232-W282 HydrophobicContact CD2-CZ3 4.5Å; Y243-W282 HydrophobicContact CD1-CD2 4.01Å; Y243-W282 AromaticContact CD1-CE2 3.72Å; Y243-W282 HydrophobicContact CD1-CG 4.27Å; Y243-W282 HydrophobicContact CD1-CZ2 4.11Å; Y243-W282 AromaticContact CD1-NE1 3.78Å; Y243-W282 HydrophobicContact CD2-CB 4.38Å; Y243-W282 AromaticContact CD2-CD2 3.84Å; Y243-W282 HydrophobicContact CD2-CD2 3.84Å; Y243-W282 AromaticContact CD2-CE3 3.87Å; Y243-W282 HydrophobicContact CD2-CE3 3.87Å; Y243-W282 HydrophobicContact CD2-CG 4.09Å; Y243-W282 HydrophobicContact CD2-CZ3 4.43Å; Y243-W282 AromaticContact CE1-CD1 3.5Å; Y243-W282 HydrophobicContact CE1-CD2 4.07Å; Y243-W282 AromaticContact CE1-CE2 3.94Å; Y243-W282 AromaticContact CE1-CG 3.83Å; Y243-W282 HydrophobicContact CE1-CG 3.83Å; Y243-W282 AromaticContact CE1-NE1 3.56Å; Y243-W282 HydrophobicContact CE2-CB 3.64Å; Y243-W282 AromaticContact CE2-CD2 3.93Å; Y243-W282 HydrophobicContact CE2-CD2 3.93Å; Y243-W282 HydrophobicContact CE2-CE3 4.3Å; Y243-W282 AromaticContact CE2-CG 3.65Å; Y243-W282 HydrophobicContact CE2-CG 3.65Å; Y243-W282 AromaticContact CG-CD2 3.88Å; Y243-W282 HydrophobicContact CG-CD2 3.88Å; Y243-W282 AromaticContact CG-CE2 3.95Å; Y243-W282 HydrophobicContact CG-CE3 4.03Å; Y243-W282 HydrophobicContact CG-CG 4.37Å; Y243-W282 HydrophobicContact CG-CH2 4.34Å; Y243-W282 HydrophobicContact CG-CZ2 4.2Å; Y243-W282 HydrophobicContact CG-CZ3 4.25Å; Y243-W282 AromaticContact CZ-CD1 3.51Å; Y243-W282 AromaticContact CZ-CG 3.49Å; Y243-W282 VanDerWaalsContact CZ-CG 3.49Å; V262-W282 HydrophobicContact CB-CD2 4.05Å; V262-W282 HydrophobicContact CB-CE3 4.49Å; V262-W282 HydrophobicContact CB-CH2 4.29Å; V262-W282 HydrophobicContact CB-CZ2 3.82Å; V262-W282 HydrophobicContact CG1-CD2 4.48Å; V262-W282 HydrophobicContact CG1-CH2 4.23Å; V262-W282 HydrophobicContact CG1-CZ2 3.47Å; V262-W282 VanDerWaalsContact CG1-CZ2 3.47Å; V262-W282 HydrophobicContact CG2-CH2 4.37Å; V262-W282 HydrophobicContact CG2-CZ2 4.36Å; V262-W282 PolarHBondContact N-O 3.02Å; V262-W282 PolarHBondContact O-N 2.91Å; T264-W282 HydrophobicContact CG2-CZ2 4.43Å; T264-W282 PolarHBondContact OG1-NE1 3.14Å; W282-L287 HydrophobicContact CE3-CD2 4.32Å; W282-L287 HydrophobicContact CZ3-CD2 3.77Å; W282-K288 VanDerWaalsContact CA-O 3.22Å; W282-K288 WeakPolarHBondContact CA-O 3.45Å; W282-K288 VanDerWaalsContact CB-O 3.25Å; W282-K288 WeakPolarHBondContact CB-O 3.35Å
283	S	98.2	Very high	97.3	Very high	14 Å²	14	44.7 Å²	44.7	10%	0.098	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	125.7	-179.7	145.8	0	0	0	0	110.2	V285 D286 L287 K288	S283-V285 PolarHBondContact O-N 2.91Å; S283-V285 PolarHBondContact OG-N 2.86Å; S283-D286 WeakPolarHBondContact CB-OD1 3.47Å; S283-D286 PolarHBondContact OG-N 3.38Å; S283-D286 PolarHBondContact OG-OD1 2.7Å; S283-L287 WeakPolarHBondContact O-CA 3.48Å; S283-L287 PolarHBondContact O-N 2.92Å; S283-K288 PolarHBondContact N-O 3.17Å; S283-K288 VanDerWaalsContact N-O 3.13Å
284	S	97.6	Very high	97.5	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.014	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-20.9	178.6	65.4	0	0	0	0	113.4	R241 I260	R241-S284 PolarHBondContact NH1-O 2.91Å; R241-S284 PolarHBondContact NH2-O 2.93Å; I260-S284 WeakPolarHBondContact O-CB 3.45Å; I260-S284 PolarHBondContact O-N 3.13Å; I260-S284 PolarHBondContact O-OG 3.39Å; I260-S284 VanDerWaalsContact O-OG 3.06Å
285	V	96.5	Very high	97.6	Very high	89 Å²	89	39.6 Å²	39.6	54%	0.539	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-57.8	-178.2	174.9	0	0	0	0	110.5	R241 I260 S283	R241-V285 PolarHBondContact NH1-O 3.49Å; I260-V285 HydrophobicContact CG1-CG2 4.49Å; I260-V285 HydrophobicContact CG2-CG2 3.95Å; S283-V285 PolarHBondContact O-N 2.91Å; S283-V285 PolarHBondContact OG-N 2.86Å
286	D	95.9	Very high	97.6	Very high	73 Å²	73	41.2 Å²	41.2	39%	0.39	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	5.6	-173.7	74.5	-22.4	0	0	0	114.5	S283 K288	S283-D286 WeakPolarHBondContact CB-OD1 3.47Å; S283-D286 PolarHBondContact OG-N 3.38Å; S283-D286 PolarHBondContact OG-OD1 2.7Å; D286-K288 PolarHBondContact O-N 2.84Å; D286-K288 VanDerWaalsContact O-N 3.07Å; D286-K288 WeakPolarHBondContact OD2-CD 3.24Å; D286-K288 WeakPolarHBondContact OD2-CG 3.3Å; D286-K288 IonicContact OD2-NZ 2.63Å; D286-K288 PolarHBondContact OD2-NZ 2.82Å
287	L	97.9	Very high	97.6	Very high	42 Å²	42	39.5 Å²	39.5	22%	0.22	21%	0.213	C	C	.	.			trans	58.3	17.5	175.3	-51	179.9	0	0	0	114.9	L232 R241 Y243 W282 S283	L232-L287 HydrophobicContact CD1-CD2 3.83Å; L232-L287 HydrophobicContact CD2-CD2 4.23Å; R241-L287 HydrophobicContact CB-CD1 4.08Å; Y243-L287 WeakPolarHBondContact CD2-O 3.26Å; Y243-L287 WeakPolarHBondContact CE2-O 3.47Å; W282-L287 HydrophobicContact CE3-CD2 4.32Å; W282-L287 HydrophobicContact CZ3-CD2 3.77Å; S283-L287 WeakPolarHBondContact O-CA 3.48Å; S283-L287 PolarHBondContact O-N 2.92Å
288	K	98.2	Very high	97.6	Very high	127 Å²	127	39.8 Å²	39.8	55%	0.552	21%	0.214	S	C	*	.			trans	-81.7	134.9	179.7	-64.1	-165.3	-170.4	92.7	0	111.9	W282 S283 D286 L290	W282-K288 VanDerWaalsContact CA-O 3.22Å; W282-K288 WeakPolarHBondContact CA-O 3.45Å; W282-K288 VanDerWaalsContact CB-O 3.25Å; W282-K288 WeakPolarHBondContact CB-O 3.35Å; S283-K288 PolarHBondContact N-O 3.17Å; S283-K288 VanDerWaalsContact N-O 3.13Å; D286-K288 PolarHBondContact O-N 2.84Å; D286-K288 VanDerWaalsContact O-N 3.07Å; D286-K288 WeakPolarHBondContact OD2-CD 3.24Å; D286-K288 WeakPolarHBondContact OD2-CG 3.3Å; D286-K288 IonicContact OD2-NZ 2.63Å; D286-K288 PolarHBondContact OD2-NZ 2.82Å; K288-L290 PolarHBondContact O-N 3.04Å
289	T	98.4	Very high	97.5	Very high	45 Å²	45	45 Å²	45	28%	0.276	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	114.6	165	-56.5	0	0	0	0	109.7	Y243 R280 I292	Y243-T289 PolarHBondContact OH-OG1 3.43Å; R280-T289 PolarHBondContact NH1-OG1 3.09Å; T289-I292 HydrophobicContact CG2-CD1 4.36Å; T289-I292 HydrophobicContact CG2-CG1 3.76Å
290	L	98.2	Very high	97.4	Very high	78 Å²	78	51.8 Å²	51.8	41%	0.408	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	-41.2	175.2	-58.7	175.4	0	0	0	111	T261 I281 K288	T261-L290 HydrophobicContact CG2-CD1 4.26Å; I281-L290 WeakPolarHBondContact O-CA 3.44Å; I281-L290 WeakPolarHBondContact O-CB 3.14Å; I281-L290 PolarHBondContact O-N 3.27Å; K288-L290 PolarHBondContact O-N 3.04Å
291	K	98	Very high	97.4	Very high	75 Å²	75	51.7 Å²	51.7	33%	0.326	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	151.4	-177.9	-60.2	-72.7	159.3	159.8	0	111.5	I281 W332 Q333 S335	I281-K291 HydrophobicContact CB-CB 4.23Å; I281-K291 HydrophobicContact CD1-CB 4.05Å; I281-K291 PolarHBondContact N-O 3Å; I281-K291 PolarHBondContact O-N 2.89Å; K291-W332 HydrophobicContact CG-CE3 4.09Å; K291-W332 HydrophobicContact CG-CZ3 4.4Å; K291-W332 WeakPolarHBondContact CG-O 3.1Å; K291-Q333 VanDerWaalsContact CE-O 3.25Å; K291-Q333 WeakPolarHBondContact CE-O 3.35Å; K291-Q333 PolarHBondContact NZ-O 2.8Å; K291-S335 WeakPolarHBondContact CD-OG 3.38Å
292	I	98.1	Very high	97.3	Very high	53 Å²	53	51.7 Å²	51.7	27%	0.272	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	132.8	163.8	-55	179.7	0	0	0	106.3	F274 H278 V279 R280 T289	F274-I292 HydrophobicContact CD1-CD1 4.4Å; F274-I292 HydrophobicContact CE1-CD1 3.76Å; F274-I292 HydrophobicContact CZ-CD1 4.31Å; H278-I292 HydrophobicContact CB-CG2 4.33Å; V279-I292 WeakPolarHBondContact O-CA 3.42Å; R280-I292 HydrophobicContact CG-CG1 4.4Å; T289-I292 HydrophobicContact CG2-CD1 4.36Å; T289-I292 HydrophobicContact CG2-CG1 3.76Å
293	I	98.2	Very high	97.3	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	153.8	-179.4	68.1	173.6	0	0	0	111.9	V279 I281 L295 L316 W330	V279-I293 HydrophobicContact CB-CD1 4.24Å; V279-I293 HydrophobicContact CB-CG1 3.72Å; V279-I293 HydrophobicContact CG1-CD1 4.4Å; V279-I293 HydrophobicContact CG1-CG1 4.27Å; V279-I293 PolarHBondContact N-O 3.18Å; V279-I293 VanDerWaalsContact N-O 3.09Å; V279-I293 PolarHBondContact O-N 2.95Å; I281-I293 HydrophobicContact CD1-CD1 3.9Å; I281-I293 HydrophobicContact CD1-CG1 3.92Å; I281-I293 HydrophobicContact CD1-CG2 4.09Å; I293-L295 VanDerWaalsContact C-N 3.26Å; I293-L295 PolarHBondContact O-N 3.34Å; I293-L316 HydrophobicContact CD1-CD2 3.95Å; I293-W330 HydrophobicContact CB-CE3 3.97Å; I293-W330 HydrophobicContact CB-CZ3 4.14Å; I293-W330 HydrophobicContact CD1-CB 3.99Å; I293-W330 HydrophobicContact CD1-CD2 3.86Å; I293-W330 HydrophobicContact CD1-CE3 4.09Å; I293-W330 HydrophobicContact CD1-CG 3.8Å; I293-W330 HydrophobicContact CG1-CE3 4.43Å
294	G	96.6	Very high	97.3	Very high	4 Å²	4	52.1 Å²	52.1	4%	0.041	27%	0.266	C	S	.	.			trans	65.1	19	176.2	0	0	0	0	0	116.3	G296 E297 F298 W330	G294-G296 PolarHBondContact O-N 2.7Å; G294-E297 PolarHBondContact O-N 2.81Å; G294-F298 WeakPolarHBondContact O-CD2 3.28Å; G294-F298 PolarHBondContact O-N 2.67Å; G294-W330 VanDerWaalsContact CA-CH2 3.43Å
295	L	95.4	Very high	97.3	Very high	77 Å²	77	52.7 Å²	52.7	40%	0.403	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	104.2	178.1	-177.4	67.8	0	0	0	110.7	F274 K276 H278 I293	F274-L295 HydrophobicContact CD1-CD1 4.3Å; F274-L295 HydrophobicContact CD1-CD2 4.16Å; F274-L295 HydrophobicContact CE1-CD2 4.22Å; K276-L295 HydrophobicContact CB-CD1 4.18Å; H278-L295 HydrophobicContact CB-CB 4.35Å; H278-L295 HydrophobicContact CB-CD1 4.05Å; I293-L295 VanDerWaalsContact C-N 3.26Å; I293-L295 PolarHBondContact O-N 3.34Å
296	G	94	Very high	97.4	Very high	40 Å²	40	48.8 Å²	48.8	41%	0.412	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	11.5	-175	0	0	0	0	0	115.4	G294	G294-G296 PolarHBondContact O-N 2.7Å
297	E	96.8	Very high	97.5	Very high	94 Å²	94	45.3 Å²	45.3	44%	0.439	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-34	168.5	-61.7	-171.9	-119.1	0	0	112.3	G294 W330 K337	G294-E297 PolarHBondContact O-N 2.81Å; E297-W330 HydrophobicContact CB-CH2 4.49Å; E297-W330 WeakPolarHBondContact OE1-CH2 3.29Å; E297-K337 WeakPolarHBondContact OE2-CE 3.48Å; E297-K337 IonicContact OE2-NZ 2.75Å; E297-K337 PolarHBondContact OE2-NZ 2.89Å
298	F	97.8	Very high	97.6	Very high	14 Å²	14	43.3 Å²	43.3	6%	0.061	22%	0.217	C	C	.	.	S	Bend	trans	-82.4	146.2	176.3	-61.9	-61.6	0	0	0	112.8	P277 V279 G294 V302 A318 D320 W330	P277-F298 HydrophobicContact CB-CB 3.92Å; V279-F298 HydrophobicContact CB-CE2 4.48Å; V279-F298 HydrophobicContact CG2-CE2 3.74Å; V279-F298 HydrophobicContact CG2-CZ 4.11Å; G294-F298 WeakPolarHBondContact O-CD2 3.28Å; G294-F298 PolarHBondContact O-N 2.67Å; F298-V302 HydrophobicContact CB-CG2 4.04Å; F298-V302 HydrophobicContact CD1-CG2 4.21Å; F298-V302 HydrophobicContact CD2-CG2 3.69Å; F298-V302 HydrophobicContact CE2-CG2 4.11Å; F298-V302 HydrophobicContact CG-CG2 3.73Å; F298-A318 HydrophobicContact CE1-CB 3.83Å; F298-A318 HydrophobicContact CZ-CB 3.71Å; F298-D320 HydrophobicContact CB-CB 4.27Å; F298-D320 HydrophobicContact CD1-CB 3.96Å; F298-W330 HydrophobicContact CE1-CZ2 4.08Å; F298-W330 HydrophobicContact CE2-CZ2 4.2Å; F298-W330 AromaticContact CZ-CE2 3.82Å; F298-W330 AromaticContact CZ-CZ2 3.63Å; F298-W330 HydrophobicContact CZ-CZ2 3.63Å; F298-W330 AromaticContact CZ-NE1 3.73Å
299	E	96.9	Very high	97.4	Very high	110 Å²	110	40.3 Å²	40.3	51%	0.514	20%	0.204	S	C	.	.			trans	-106.4	145.1	174.6	-63.5	-171.5	-178.7	0	0	113.6	S301 D320 E321 A322	E299-S301 PolarHBondContact O-N 2.96Å; E299-D320 PolarHBondContact N-OD2 2.92Å; E299-E321 PolarHBondContact O-N 3.1Å; E299-A322 HydrophobicContact CB-CB 3.89Å; E299-A322 HydrophobicContact CG-CB 4.37Å
300	R	96.7	Very high	97.3	Very high	142 Å²	142	41.3 Å²	41.3	54%	0.536	21%	0.21	S	C	.	.	S	Bend	trans	57.4	-61.1	179	-54.2	-163.6	-171.1	117.3	-1.7	116.6	A268 P277 E321 T323	A268-R300 WeakPolarHBondContact CB-O 3.39Å; A268-R300 PolarHBondContact N-O 3.07Å; P277-R300 VanDerWaalsContact CG-C 3.47Å; P277-R300 WeakPolarHBondContact CG-O 3.29Å; R300-E321 HydrophobicContact CB-CB 4.06Å; R300-E321 VanDerWaalsContact CD-O 3.27Å; R300-E321 WeakPolarHBondContact CD-O 3.33Å; R300-E321 PolarHBondContact NH1-O 2.85Å; R300-T323 PolarHBondContact NH2-OG1 2.9Å
301	S	97.8	Very high	97.2	Very high	2 Å²	2	39 Å²	39	1%	0.014	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-164.3	158.1	179.6	-166.3	0	0	0	0	110.7	K251 S267 E299 D320 E321	K251-S301 WeakPolarHBondContact CG-OG 3.3Å; S267-S301 VanDerWaalsContact CA-OG 3.29Å; S267-S301 WeakPolarHBondContact CA-OG 3.27Å; S267-S301 PolarHBondContact N-OG 3.35Å; S267-S301 PolarHBondContact OG-OG 3.23Å; E299-S301 PolarHBondContact O-N 2.96Å; S301-D320 CarbonylContact O-C 3.51Å; S301-D320 VanDerWaalsContact O-CA 3.23Å; S301-D320 WeakPolarHBondContact O-CA 3.43Å; S301-D320 WeakPolarHBondContact O-CB 3.42Å; S301-E321 PolarHBondContact O-N 2.79Å
302	V	98.4	Very high	97	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	113.2	169.3	-173.8	0	0	0	0	108.7	C252 Q266 P277 V279 F298 L305 A318	C252-V302 PolarHBondContact SG-O 2.85Å; Q266-V302 PolarHBondContact O-N 2.84Å; P277-V302 HydrophobicContact CB-CG2 4.43Å; V279-V302 HydrophobicContact CG2-CB 4.31Å; V279-V302 HydrophobicContact CG2-CG1 3.84Å; V279-V302 HydrophobicContact CG2-CG2 4.05Å; F298-V302 HydrophobicContact CB-CG2 4.04Å; F298-V302 HydrophobicContact CD1-CG2 4.21Å; F298-V302 HydrophobicContact CD2-CG2 3.69Å; F298-V302 HydrophobicContact CE2-CG2 4.11Å; F298-V302 HydrophobicContact CG-CG2 3.73Å; V302-L305 HydrophobicContact CG1-CD2 4.2Å; V302-L305 HydrophobicContact CG1-CG 4.39Å; V302-A318 HydrophobicContact CG1-CB 4.26Å
303	C	97.5	Very high	97	Very high	15 Å²	15	37.2 Å²	37.2	10%	0.101	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	-23.3	-168.7	65.5	0	0	0	0	114.8	C252 V319 E321	C252-C303 WeakPolarHBondContact CB-O 3.34Å; C303-V319 PolarHBondContact N-O 3Å; C303-V319 PolarHBondContact SG-O 3.2Å; C303-V319 VanDerWaalsContact SG-O 3.41Å; C303-E321 HydrophobicContact CB-CG 3.71Å; C303-E321 WeakPolarHBondContact CB-OE1 3.46Å
304	C	98.2	Very high	96.9	Very high	8 Å²	8	39.4 Å²	39.4	5%	0.054	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	142.3	178.1	-54.2	0	0	0	0	111.4	A318 V319 V351	C304-A318 WeakPolarHBondContact O-CA 3.41Å; C304-V319 HydrophobicContact CB-CB 4.1Å; C304-V319 HydrophobicContact CB-CG2 4.35Å; C304-V319 PolarHBondContact N-O 3.4Å; C304-V319 PolarHBondContact O-N 3.34Å; C304-V351 HydrophobicContact CB-CB 4.17Å; C304-V351 HydrophobicContact CB-CG1 3.67Å
305	L	98.5	Very high	97	Very high	15 Å²	15	40.7 Å²	40.7	8%	0.079	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	145.1	175.6	-72.8	170.3	0	0	0	110.7	C252 A254 A263 V279 V302 L316 C317 A318	C252-L305 VanDerWaalsContact SG-CG 3.59Å; A254-L305 HydrophobicContact CB-CB 3.72Å; A263-L305 HydrophobicContact CB-CD1 4.18Å; V279-L305 HydrophobicContact CG1-CD1 4.03Å; V279-L305 HydrophobicContact CG1-CD2 4Å; V279-L305 HydrophobicContact CG2-CD2 3.83Å; V302-L305 HydrophobicContact CG1-CD2 4.2Å; V302-L305 HydrophobicContact CG1-CG 4.39Å; L305-L316 HydrophobicContact CB-CD1 4.5Å; L305-L316 HydrophobicContact CD2-CD1 4.17Å; L305-L316 HydrophobicContact CD2-CD2 4.47Å; L305-L316 HydrophobicContact CD2-CG 4.36Å; L305-C317 WeakPolarHBondContact CA-O 3.49Å; L305-A318 HydrophobicContact CD2-CB 3.7Å
306	S	98.4	Very high	97.1	Very high	7 Å²	7	37 Å²	37	5%	0.049	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	127.4	168.2	-169.6	0	0	0	0	111.7	C317 E352 F353	S306-C317 PolarHBondContact N-O 2.82Å; S306-C317 PolarHBondContact O-N 3.33Å; S306-E352 WeakPolarHBondContact OG-CA 3.46Å; S306-F353 WeakPolarHBondContact O-CD2 3.38Å; S306-F353 WeakPolarHBondContact O-CE2 3.18Å; S306-F353 PolarHBondContact OG-N 2.92Å; S306-F353 VanDerWaalsContact OG-N 3.11Å
307	F	98.6	Very high	97.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	143.4	165.7	-72.1	-75.4	0	0	0	110.8	A254 H256 T261 A263 I281 K309 K315 L316 W332 F353	A254-F307 HydrophobicContact CB-CD2 4.06Å; A254-F307 HydrophobicContact CB-CE2 4.36Å; A254-F307 WeakPolarHBondContact O-CE2 3.45Å; H256-F307 HydrophobicContact CB-CD2 3.79Å; H256-F307 HydrophobicContact CB-CE2 3.75Å; H256-F307 HydrophobicContact CB-CG 4.19Å; H256-F307 HydrophobicContact CB-CZ 4.12Å; H256-F307 AromaticContact CD2-CD1 3.58Å; H256-F307 AromaticContact CD2-CE1 3.73Å; H256-F307 AromaticContact CD2-CG 3.86Å; T261-F307 HydrophobicContact CG2-CZ 4.33Å; A263-F307 HydrophobicContact CB-CE2 3.57Å; A263-F307 HydrophobicContact CB-CZ 3.54Å; I281-F307 HydrophobicContact CG2-CZ 4.31Å; F307-K309 WeakPolarHBondContact O-CE 3.36Å; F307-K309 PolarHBondContact O-NZ 2.82Å; F307-K315 WeakPolarHBondContact CA-O 3.48Å; F307-L316 HydrophobicContact CD1-CB 4.08Å; F307-L316 HydrophobicContact CD1-CD1 3.83Å; F307-L316 HydrophobicContact CD1-CG 4.43Å; F307-L316 HydrophobicContact CD2-CD1 4.25Å; F307-L316 HydrophobicContact CE1-CB 4.12Å; F307-L316 HydrophobicContact CE1-CD1 3.95Å; F307-L316 HydrophobicContact CE1-CD2 4.14Å; F307-L316 HydrophobicContact CE1-CG 4.31Å; F307-L316 HydrophobicContact CE2-CD1 4.36Å; F307-L316 HydrophobicContact CG-CD1 4.02Å; F307-L316 HydrophobicContact CZ-CD1 4.23Å; F307-L316 HydrophobicContact CZ-CD2 4.38Å; F307-W332 AromaticContact CD1-NE1 3.97Å; F307-W332 AromaticContact CE1-CD1 3.73Å; F307-W332 HydrophobicContact CE1-CD2 4.35Å; F307-W332 HydrophobicContact CE1-CG 4.18Å; F307-W332 AromaticContact CE1-NE1 3.61Å; F307-F353 VanDerWaalsContact C-CD2 3.45Å
308	S	98	Very high	97.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.158	C	C	.	.			trans	-60.3	161.2	164.7	54	0	0	0	0	111.3	P257 D311 G313 K315 F353	P257-S308 VanDerWaalsContact CG-O 3.26Å; P257-S308 WeakPolarHBondContact CG-O 3.4Å; S308-D311 WeakPolarHBondContact CB-OD1 3.44Å; S308-D311 PolarHBondContact OG-OD1 2.92Å; S308-D311 PolarHBondContact OG-OD2 3.08Å; S308-D311 VanDerWaalsContact OG-OD2 3.09Å; S308-G313 WeakPolarHBondContact O-CA 3.46Å; S308-K315 PolarHBondContact N-O 3.04Å; S308-K315 WeakPolarHBondContact OG-CB 2.93Å; S308-K315 PolarHBondContact OG-N 3.44Å; S308-K315 PolarHBondContact OG-O 2.78Å; S308-K315 VanDerWaalsContact OG-O 3.14Å; S308-F353 VanDerWaalsContact N-CD2 3.27Å
309	K	95.7	Very high	97.5	Very high	64 Å²	64	30 Å²	30	28%	0.278	16%	0.155	S	C	.	.	S	Bend	trans	-118.5	-52.4	-170.7	-52.9	-57.9	-179.8	-170.4	0	113.1	P257 F307 D311 S312	P257-K309 HydrophobicContact CG-CD 3.93Å; F307-K309 WeakPolarHBondContact O-CE 3.36Å; F307-K309 PolarHBondContact O-NZ 2.82Å; K309-D311 PolarHBondContact O-N 3.45Å; K309-S312 PolarHBondContact O-N 3.34Å
310	T	95.3	Very high	97.6	Very high	65 Å²	65	24.9 Å²	24.9	40%	0.399	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-29.2	-175.9	45.2	0	0	0	0	114.8	S312 D358	T310-S312 PolarHBondContact O-N 3.49Å; T310-D358 VanDerWaalsContact OG1-CB 3.25Å; T310-D358 WeakPolarHBondContact OG1-CB 3.35Å; T310-D358 PolarHBondContact OG1-N 3.29Å; T310-D358 PolarHBondContact OG1-OD1 3.33Å
311	D	95.5	Very high	97.6	Very high	31 Å²	31	21.4 Å²	21.4	17%	0.166	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	19.5	177.7	72.2	-13.7	0	0	0	113.2	S308 K309 G313 V314 K315 D358	S308-D311 WeakPolarHBondContact CB-OD1 3.44Å; S308-D311 PolarHBondContact OG-OD1 2.92Å; S308-D311 PolarHBondContact OG-OD2 3.08Å; S308-D311 VanDerWaalsContact OG-OD2 3.09Å; K309-D311 PolarHBondContact O-N 3.45Å; D311-G313 PolarHBondContact O-N 3.33Å; D311-G313 PolarHBondContact OD1-N 2.95Å; D311-V314 WeakPolarHBondContact O-CG2 3.35Å; D311-V314 PolarHBondContact OD1-N 3.21Å; D311-K315 WeakPolarHBondContact OD2-CG 3.41Å; D311-K315 IonicContact OD2-NZ 2.63Å; D311-K315 PolarHBondContact OD2-NZ 3.4Å; D311-D358 HydrophobicContact CB-CB 4.23Å
312	S	95.1	Very high	97.5	Very high	90 Å²	90	21.5 Å²	21.5	63%	0.629	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.3	21.8	-172.2	-49.4	0	0	0	0	115.1	H256 K309 T310	H256-S312 PolarHBondContact CE1-O 3.01Å; H256-S312 VanDerWaalsContact CE1-O 3.24Å; H256-S312 PolarHBondContact NE2-O 2.85Å; K309-S312 PolarHBondContact O-N 3.34Å; T310-S312 PolarHBondContact O-N 3.49Å
313	G	97	Very high	97.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	20	172.7	0	0	0	0	0	115.5	H256 S308 D311 K315 W332	H256-G313 WeakPolarHBondContact NE2-CA 3.43Å; H256-G313 PolarHBondContact NE2-O 2.99Å; S308-G313 WeakPolarHBondContact O-CA 3.46Å; D311-G313 PolarHBondContact O-N 3.33Å; D311-G313 PolarHBondContact OD1-N 2.95Å; G313-K315 PolarHBondContact O-N 2.82Å; G313-W332 PolarHBondContact O-NE1 3.12Å
314	V	97.2	Very high	97.4	Very high	50 Å²	50	27.4 Å²	27.4	30%	0.303	16%	0.156	S	C	.	.			trans	-61.1	-28.1	179.6	171.3	0	0	0	0	112.7	D311 W332	D311-V314 WeakPolarHBondContact O-CG2 3.35Å; D311-V314 PolarHBondContact OD1-N 3.21Å; V314-W332 VanDerWaalsContact O-CD1 3.25Å
315	K	98	Very high	97.4	Very high	30 Å²	30	28 Å²	28	13%	0.13	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	141.1	178.7	-54	174.4	-164	78.7	0	111.3	F307 S308 D311 G313 I329 W330 F353 D358 F374	F307-K315 WeakPolarHBondContact CA-O 3.48Å; S308-K315 PolarHBondContact N-O 3.04Å; S308-K315 WeakPolarHBondContact OG-CB 2.93Å; S308-K315 PolarHBondContact OG-N 3.44Å; S308-K315 PolarHBondContact OG-O 2.78Å; S308-K315 VanDerWaalsContact OG-O 3.14Å; D311-K315 WeakPolarHBondContact OD2-CG 3.41Å; D311-K315 IonicContact OD2-NZ 2.63Å; D311-K315 PolarHBondContact OD2-NZ 3.4Å; G313-K315 PolarHBondContact O-N 2.82Å; K315-I329 HydrophobicContact CB-CG2 4.13Å; K315-I329 HydrophobicContact CD-CG2 4.37Å; K315-W330 WeakPolarHBondContact CA-O 3.31Å; K315-F353 HydrophobicContact CB-CE2 4.42Å; K315-F353 HydrophobicContact CB-CZ 3.84Å; K315-F353 HydrophobicContact CD-CZ 4.46Å; K315-D358 IonicContact NZ-OD2 3.07Å; K315-D358 PolarHBondContact NZ-OD2 3.48Å; K315-F374 HydrophobicContact CD-CD1 4.21Å; K315-F374 HydrophobicContact CD-CE1 3.85Å
316	L	98.6	Very high	97.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.8	170	179.7	58	0	0	0	109.2	A263 V279 I281 I293 L305 F307 W330 W332	A263-L316 HydrophobicContact CB-CD1 4.23Å; A263-L316 HydrophobicContact CB-CD2 3.83Å; V279-L316 HydrophobicContact CG1-CD2 4.08Å; I281-L316 HydrophobicContact CD1-CD2 4.11Å; I281-L316 HydrophobicContact CG1-CD2 3.98Å; I293-L316 HydrophobicContact CD1-CD2 3.95Å; L305-L316 HydrophobicContact CB-CD1 4.5Å; L305-L316 HydrophobicContact CD2-CD1 4.17Å; L305-L316 HydrophobicContact CD2-CD2 4.47Å; L305-L316 HydrophobicContact CD2-CG 4.36Å; F307-L316 HydrophobicContact CD1-CB 4.08Å; F307-L316 HydrophobicContact CD1-CD1 3.83Å; F307-L316 HydrophobicContact CD1-CG 4.43Å; F307-L316 HydrophobicContact CD2-CD1 4.25Å; F307-L316 HydrophobicContact CE1-CB 4.12Å; F307-L316 HydrophobicContact CE1-CD1 3.95Å; F307-L316 HydrophobicContact CE1-CD2 4.14Å; F307-L316 HydrophobicContact CE1-CG 4.31Å; F307-L316 HydrophobicContact CE2-CD1 4.36Å; F307-L316 HydrophobicContact CG-CD1 4.02Å; F307-L316 HydrophobicContact CZ-CD1 4.23Å; F307-L316 HydrophobicContact CZ-CD2 4.38Å; L316-W330 PolarHBondContact N-O 2.94Å; L316-W330 PolarHBondContact O-N 3.43Å; L316-W332 HydrophobicContact CB-CB 4.14Å; L316-W332 HydrophobicContact CB-CG 4.42Å; L316-W332 HydrophobicContact CD2-CB 4.35Å
317	C	98.6	Very high	97.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	135.8	170.5	-178.6	0	0	0	0	109.1	L305 S306 S328 I329 F353 L361	L305-C317 WeakPolarHBondContact CA-O 3.49Å; S306-C317 PolarHBondContact N-O 2.82Å; S306-C317 PolarHBondContact O-N 3.33Å; C317-S328 WeakPolarHBondContact CA-O 3.49Å; C317-I329 HydrophobicContact CB-CD1 3.73Å; C317-F353 HydrophobicContact CB-CD2 4.09Å; C317-F353 HydrophobicContact CB-CE2 3.52Å; C317-F353 HydrophobicContact CB-CZ 4.26Å; C317-L361 HydrophobicContact CB-CD2 3.72Å
318	A	98.7	Very high	97.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	138.5	173.5	0	0	0	0	0	110.4	F298 V302 C304 L305 S328	F298-A318 HydrophobicContact CE1-CB 3.83Å; F298-A318 HydrophobicContact CZ-CB 3.71Å; V302-A318 HydrophobicContact CG1-CB 4.26Å; C304-A318 WeakPolarHBondContact O-CA 3.41Å; L305-A318 HydrophobicContact CD2-CB 3.7Å; A318-S328 PolarHBondContact N-O 2.71Å; A318-S328 PolarHBondContact O-N 2.95Å; A318-S328 PolarHBondContact O-OG 2.63Å; A318-S328 VanDerWaalsContact O-OG 3.13Å
319	V	98.6	Very high	97.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.5	169.9	-174.1	0	0	0	0	109.3	C303 C304 H325 V326 I327 I348 V351	C303-V319 PolarHBondContact N-O 3Å; C303-V319 PolarHBondContact SG-O 3.2Å; C303-V319 VanDerWaalsContact SG-O 3.41Å; C304-V319 HydrophobicContact CB-CB 4.1Å; C304-V319 HydrophobicContact CB-CG2 4.35Å; C304-V319 PolarHBondContact N-O 3.4Å; C304-V319 PolarHBondContact O-N 3.34Å; V319-H325 HydrophobicContact CG1-CB 4.31Å; V319-V326 VanDerWaalsContact CA-O 3.31Å; V319-V326 WeakPolarHBondContact CA-O 3.39Å; V319-I327 HydrophobicContact CG2-CB 4.09Å; V319-I327 HydrophobicContact CG2-CD1 4.4Å; V319-I327 HydrophobicContact CG2-CG1 4.04Å; V319-I348 HydrophobicContact CG1-CB 4.16Å; V319-I348 HydrophobicContact CG1-CG1 4.15Å; V319-I348 HydrophobicContact CG1-CG2 4.16Å; V319-V351 HydrophobicContact CG2-CB 4.02Å; V319-V351 HydrophobicContact CG2-CG1 4.1Å; V319-V351 HydrophobicContact CG2-CG2 4.27Å
320	D	98.3	Very high	97.6	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	176.7	178.1	78.6	5.5	0	0	0	114.1	F298 E299 S301 A322 H325 V326	F298-D320 HydrophobicContact CB-CB 4.27Å; F298-D320 HydrophobicContact CD1-CB 3.96Å; E299-D320 PolarHBondContact N-OD2 2.92Å; S301-D320 CarbonylContact O-C 3.51Å; S301-D320 VanDerWaalsContact O-CA 3.23Å; S301-D320 WeakPolarHBondContact O-CA 3.43Å; S301-D320 WeakPolarHBondContact O-CB 3.42Å; D320-A322 WeakPolarHBondContact OD1-CB 3.42Å; D320-A322 PolarHBondContact OD1-N 3.39Å; D320-A322 VanDerWaalsContact OD1-N 3.08Å; D320-H325 PolarHBondContact O-ND1 2.81Å; D320-V326 PolarHBondContact N-O 3.04Å; D320-V326 VanDerWaalsContact N-O 3.14Å; D320-V326 PolarHBondContact OD1-N 2.9Å
321	E	97.1	Very high	97.7	Very high	68 Å²	68	23 Å²	23	32%	0.318	13%	0.132	S	C	.	.			trans	-102.7	29.5	177	-60.7	-169.6	161.3	0	0	112.6	E299 R300 S301 C303	E299-E321 PolarHBondContact O-N 3.1Å; R300-E321 HydrophobicContact CB-CB 4.06Å; R300-E321 VanDerWaalsContact CD-O 3.27Å; R300-E321 WeakPolarHBondContact CD-O 3.33Å; R300-E321 PolarHBondContact NH1-O 2.85Å; S301-E321 PolarHBondContact O-N 2.79Å; C303-E321 HydrophobicContact CB-CG 3.71Å; C303-E321 WeakPolarHBondContact CB-OE1 3.46Å
322	A	97.2	Very high	97.8	Very high	5 Å²	5	22.2 Å²	22.2	4%	0.041	13%	0.127	C	C	.	.	S	Bend	trans	-55.1	161.8	163.5	0	0	0	0	0	111	E299 D320 D324 H325 V326	E299-A322 HydrophobicContact CB-CB 3.89Å; E299-A322 HydrophobicContact CG-CB 4.37Å; D320-A322 WeakPolarHBondContact OD1-CB 3.42Å; D320-A322 PolarHBondContact OD1-N 3.39Å; D320-A322 VanDerWaalsContact OD1-N 3.08Å; A322-D324 PolarHBondContact O-N 2.95Å; A322-D324 VanDerWaalsContact O-N 3.09Å; A322-H325 PolarHBondContact O-N 3.34Å; A322-V326 HydrophobicContact CB-CG2 4.07Å
323	T	96.5	Very high	97.9	Very high	88 Å²	88	22.2 Å²	22.2	54%	0.54	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.5	-179.2	-54.7	0	0	0	0	113.6	R300	R300-T323 PolarHBondContact NH2-OG1 2.9Å
324	D	96.8	Very high	97.9	Very high	51 Å²	51	28.5 Å²	28.5	27%	0.273	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	15.9	176.7	-66.4	-56.6	0	0	0	113.5	A322 K342 C343 S344	A322-D324 PolarHBondContact O-N 2.95Å; A322-D324 VanDerWaalsContact O-N 3.09Å; D324-K342 HydrophobicContact CB-CB 4.25Å; D324-K342 HydrophobicContact CB-CD 3.77Å; D324-K342 HydrophobicContact CB-CG 3.88Å; D324-K342 IonicContact OD1-NZ 2.7Å; D324-K342 WeakPolarHBondContact OD2-CE 3.37Å; D324-K342 IonicContact OD2-NZ 3.68Å; D324-K342 PolarHBondContact OD2-NZ 2.94Å; D324-C343 PolarHBondContact O-N 2.78Å; D324-S344 CarbonylContact C-O 3.5Å; D324-S344 PolarHBondContact O-N 3.41Å
325	H	97.8	Very high	97.8	Very high	21 Å²	21	28.7 Å²	28.7	10%	0.097	15%	0.148	C	C	.	.			trans	36.2	90.5	-173.2	-68.4	-75.2	0	0	0	113.3	V319 D320 A322 I327 C343 S344 E346 P347 I348	V319-H325 HydrophobicContact CG1-CB 4.31Å; D320-H325 PolarHBondContact O-ND1 2.81Å; A322-H325 PolarHBondContact O-N 3.34Å; H325-I327 PolarHBondContact O-N 2.84Å; H325-C343 HydrophobicContact CB-CB 4.39Å; H325-C343 WeakPolarHBondContact O-CA 3.43Å; H325-C343 WeakPolarHBondContact O-CB 3.16Å; H325-C343 PolarHBondContact O-N 3.27Å; H325-S344 WeakPolarHBondContact CB-O 3.15Å; H325-S344 PolarHBondContact CD2-O 3.36Å; H325-S344 PolarHBondContact N-O 2.8Å; H325-E346 PolarHBondContact CD2-O 3.41Å; H325-P347 WeakPolarHBondContact NE2-CA 3.43Å; H325-I348 HydrophobicContact CB-CG1 4.05Å
326	V	98.4	Very high	97.7	Very high	32 Å²	32	33.9 Å²	33.9	19%	0.194	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	124.9	-174.2	-178.8	0	0	0	0	109.9	V319 D320 A322 E340	V319-V326 VanDerWaalsContact CA-O 3.31Å; V319-V326 WeakPolarHBondContact CA-O 3.39Å; D320-V326 PolarHBondContact N-O 3.04Å; D320-V326 VanDerWaalsContact N-O 3.14Å; D320-V326 PolarHBondContact OD1-N 2.9Å; A322-V326 HydrophobicContact CB-CG2 4.07Å; V326-E340 HydrophobicContact CG1-CB 3.95Å; V326-E340 HydrophobicContact CG1-CG 4.46Å
327	I	98.7	Very high	97.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	131.2	166.8	-177.4	169.5	0	0	0	108.9	V319 H325 E340 T341 C343 V351 W372 L379	V319-I327 HydrophobicContact CG2-CB 4.09Å; V319-I327 HydrophobicContact CG2-CD1 4.4Å; V319-I327 HydrophobicContact CG2-CG1 4.04Å; H325-I327 PolarHBondContact O-N 2.84Å; I327-E340 CarbonylContact O-C 3.54Å; I327-E340 VanDerWaalsContact O-CA 3.29Å; I327-E340 WeakPolarHBondContact O-CA 3.2Å; I327-T341 HydrophobicContact CG2-CG2 3.7Å; I327-T341 WeakPolarHBondContact CG2-O 3.28Å; I327-T341 PolarHBondContact N-O 2.79Å; I327-T341 PolarHBondContact O-N 2.84Å; I327-C343 HydrophobicContact CB-CB 3.96Å; I327-C343 HydrophobicContact CG2-CB 3.87Å; I327-V351 HydrophobicContact CD1-CG2 4.04Å; I327-W372 HydrophobicContact CD1-CD2 4.37Å; I327-W372 HydrophobicContact CG2-CH2 3.78Å; I327-W372 HydrophobicContact CG2-CZ2 4.08Å; I327-W372 HydrophobicContact CG2-CZ3 4.11Å; I327-L379 HydrophobicContact CD1-CD1 4.37Å; I327-L379 HydrophobicContact CG1-CD1 4.12Å; I327-L379 HydrophobicContact CG2-CD1 4.04Å
328	S	98.5	Very high	97.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	141.8	-175	59.4	0	0	0	0	111.6	C317 A318 W330 T339	C317-S328 WeakPolarHBondContact CA-O 3.49Å; A318-S328 PolarHBondContact N-O 2.71Å; A318-S328 PolarHBondContact O-N 2.95Å; A318-S328 PolarHBondContact O-OG 2.63Å; A318-S328 VanDerWaalsContact O-OG 3.13Å; S328-W330 PolarHBondContact OG-NE1 2.67Å; S328-T339 WeakPolarHBondContact CA-O 3.48Å
329	I	98.5	Very high	97.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.1	177.9	-48	-61	0	0	0	109.2	K315 C317 I338 T339 F353 L361 F374 L379	K315-I329 HydrophobicContact CB-CG2 4.13Å; K315-I329 HydrophobicContact CD-CG2 4.37Å; C317-I329 HydrophobicContact CB-CD1 3.73Å; I329-I338 HydrophobicContact CG2-CD1 4.28Å; I329-I338 PolarHBondContact O-N 2.76Å; I329-T339 HydrophobicContact CB-CG2 4.13Å; I329-T339 HydrophobicContact CG1-CG2 3.95Å; I329-T339 PolarHBondContact N-O 3.01Å; I329-T339 PolarHBondContact O-N 3.24Å; I329-F353 HydrophobicContact CD1-CZ 4.24Å; I329-F353 HydrophobicContact CG2-CZ 4.36Å; I329-L361 HydrophobicContact CD1-CD1 4.49Å; I329-L361 HydrophobicContact CD1-CD2 3.71Å; I329-F374 HydrophobicContact CG1-CD2 4.39Å; I329-F374 HydrophobicContact CG2-CZ 4.42Å; I329-L379 HydrophobicContact CD1-CD1 4.24Å; I329-L379 HydrophobicContact CD1-CD2 4.47Å; I329-L379 HydrophobicContact CG1-CD1 3.91Å; I329-L379 HydrophobicContact CG1-CD2 4.25Å; I329-L379 HydrophobicContact CG1-CG 4.23Å
330	W	98.4	Very high	97.6	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.008	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.7	-172.5	-60.9	77.5	0	0	0	111.8	I293 G294 E297 F298 K315 L316 S328 W332 R336 K337	I293-W330 HydrophobicContact CB-CE3 3.97Å; I293-W330 HydrophobicContact CB-CZ3 4.14Å; I293-W330 HydrophobicContact CD1-CB 3.99Å; I293-W330 HydrophobicContact CD1-CD2 3.86Å; I293-W330 HydrophobicContact CD1-CE3 4.09Å; I293-W330 HydrophobicContact CD1-CG 3.8Å; I293-W330 HydrophobicContact CG1-CE3 4.43Å; G294-W330 VanDerWaalsContact CA-CH2 3.43Å; E297-W330 HydrophobicContact CB-CH2 4.49Å; E297-W330 WeakPolarHBondContact OE1-CH2 3.29Å; F298-W330 HydrophobicContact CE1-CZ2 4.08Å; F298-W330 HydrophobicContact CE2-CZ2 4.2Å; F298-W330 AromaticContact CZ-CE2 3.82Å; F298-W330 AromaticContact CZ-CZ2 3.63Å; F298-W330 HydrophobicContact CZ-CZ2 3.63Å; F298-W330 AromaticContact CZ-NE1 3.73Å; K315-W330 WeakPolarHBondContact CA-O 3.31Å; L316-W330 PolarHBondContact N-O 2.94Å; L316-W330 PolarHBondContact O-N 3.43Å; S328-W330 PolarHBondContact OG-NE1 2.67Å; W330-W332 PolarHBondContact O-N 3.23Å; W330-R336 WeakPolarHBondContact CA-O 3.45Å; W330-K337 HydrophobicContact CD2-CB 4.08Å; W330-K337 HydrophobicContact CD2-CG 4.24Å; W330-K337 HydrophobicContact CE3-CB 3.81Å; W330-K337 HydrophobicContact CE3-CG 4.46Å; W330-K337 VanDerWaalsContact CE3-N 3.3Å; W330-K337 HydrophobicContact CH2-CB 3.79Å; W330-K337 HydrophobicContact CH2-CD 3.9Å; W330-K337 HydrophobicContact CH2-CG 4.12Å; W330-K337 HydrophobicContact CZ2-CB 4.08Å; W330-K337 HydrophobicContact CZ2-CD 3.64Å; W330-K337 HydrophobicContact CZ2-CG 3.92Å; W330-K337 HydrophobicContact CZ3-CB 3.66Å; W330-K337 HydrophobicContact CZ3-CG 4.4Å
331	D	97.6	Very high	97.5	Very high	9 Å²	9	46.8 Å²	46.8	5%	0.048	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	88.4	156.5	-172.9	-36.5	0	0	0	106.4	Q333 K334 S335 R336 I338	D331-Q333 VanDerWaalsContact C-N 3.29Å; D331-Q333 PolarHBondContact O-N 3.2Å; D331-K334 HydrophobicContact CB-CB 4.37Å; D331-K334 VanDerWaalsContact CG-NZ 3.33Å; D331-K334 CarbonylContact O-C 3.54Å; D331-K334 PolarHBondContact O-N 3.45Å; D331-K334 WeakPolarHBondContact OD1-CB 3.3Å; D331-K334 VanDerWaalsContact OD1-CG 3.26Å; D331-K334 WeakPolarHBondContact OD1-CG 3.44Å; D331-K334 PolarHBondContact OD1-N 2.75Å; D331-K334 VanDerWaalsContact OD1-N 3.15Å; D331-K334 IonicContact OD1-NZ 3.25Å; D331-K334 PolarHBondContact OD1-NZ 3.45Å; D331-K334 VanDerWaalsContact OD2-CD 3.3Å; D331-K334 WeakPolarHBondContact OD2-CD 3.38Å; D331-K334 WeakPolarHBondContact OD2-CE 3.3Å; D331-K334 IonicContact OD2-NZ 2.63Å; D331-K334 PolarHBondContact OD2-NZ 3.39Å; D331-S335 PolarHBondContact O-N 3.2Å; D331-R336 HydrophobicContact CB-CB 4.44Å; D331-R336 PolarHBondContact N-O 3Å; D331-R336 PolarHBondContact O-N 2.83Å; D331-R336 IonicContact OD2-NH2 3.72Å; D331-I338 HydrophobicContact CB-CD1 4.04Å; D331-I338 HydrophobicContact CB-CG1 4.1Å
332	W	97.5	Very high	97.6	Very high	15 Å²	15	49.4 Å²	49.4	6%	0.057	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-34.9	-169.1	67.6	-95.4	0	0	0	111.7	H256 T261 I281 K291 F307 G313 V314 L316 W330 K334 S335	H256-W332 AromaticContact NE2-CZ2 3.85Å; T261-W332 HydrophobicContact CG2-CH2 3.97Å; T261-W332 HydrophobicContact CG2-CZ2 4.28Å; T261-W332 HydrophobicContact CG2-CZ3 4.48Å; I281-W332 HydrophobicContact CB-CE3 4.27Å; I281-W332 HydrophobicContact CD1-CB 4.26Å; I281-W332 HydrophobicContact CG1-CB 4.45Å; I281-W332 HydrophobicContact CG1-CE3 4.42Å; I281-W332 HydrophobicContact CG2-CD2 4.36Å; I281-W332 HydrophobicContact CG2-CE3 3.76Å; I281-W332 HydrophobicContact CG2-CH2 4.43Å; I281-W332 HydrophobicContact CG2-CZ3 3.81Å; K291-W332 HydrophobicContact CG-CE3 4.09Å; K291-W332 HydrophobicContact CG-CZ3 4.4Å; K291-W332 WeakPolarHBondContact CG-O 3.1Å; F307-W332 AromaticContact CD1-NE1 3.97Å; F307-W332 AromaticContact CE1-CD1 3.73Å; F307-W332 HydrophobicContact CE1-CD2 4.35Å; F307-W332 HydrophobicContact CE1-CG 4.18Å; F307-W332 AromaticContact CE1-NE1 3.61Å; G313-W332 PolarHBondContact O-NE1 3.12Å; V314-W332 VanDerWaalsContact O-CD1 3.25Å; L316-W332 HydrophobicContact CB-CB 4.14Å; L316-W332 HydrophobicContact CB-CG 4.42Å; L316-W332 HydrophobicContact CD2-CB 4.35Å; W330-W332 PolarHBondContact O-N 3.23Å; W332-K334 VanDerWaalsContact C-N 3.32Å; W332-K334 PolarHBondContact O-N 2.89Å; W332-S335 PolarHBondContact O-N 2.88Å
333	Q	97	Very high	97.6	Very high	90 Å²	90	49.2 Å²	49.2	42%	0.421	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-39.9	177.1	-65	-176.3	-22.8	0	0	111.7	K291 D331 S335	K291-Q333 VanDerWaalsContact CE-O 3.25Å; K291-Q333 WeakPolarHBondContact CE-O 3.35Å; K291-Q333 PolarHBondContact NZ-O 2.8Å; D331-Q333 VanDerWaalsContact C-N 3.29Å; D331-Q333 PolarHBondContact O-N 3.2Å; Q333-S335 VanDerWaalsContact C-N 3.34Å
334	K	96.9	Very high	97.6	Very high	133 Å²	133	45.9 Å²	45.9	58%	0.578	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	3.2	175	-59.9	-177.1	-160.3	71.2	0	113.7	D331 W332 R336	D331-K334 HydrophobicContact CB-CB 4.37Å; D331-K334 VanDerWaalsContact CG-NZ 3.33Å; D331-K334 CarbonylContact O-C 3.54Å; D331-K334 PolarHBondContact O-N 3.45Å; D331-K334 WeakPolarHBondContact OD1-CB 3.3Å; D331-K334 VanDerWaalsContact OD1-CG 3.26Å; D331-K334 WeakPolarHBondContact OD1-CG 3.44Å; D331-K334 PolarHBondContact OD1-N 2.75Å; D331-K334 VanDerWaalsContact OD1-N 3.15Å; D331-K334 IonicContact OD1-NZ 3.25Å; D331-K334 PolarHBondContact OD1-NZ 3.45Å; D331-K334 VanDerWaalsContact OD2-CD 3.3Å; D331-K334 WeakPolarHBondContact OD2-CD 3.38Å; D331-K334 WeakPolarHBondContact OD2-CE 3.3Å; D331-K334 IonicContact OD2-NZ 2.63Å; D331-K334 PolarHBondContact OD2-NZ 3.39Å; W332-K334 VanDerWaalsContact C-N 3.32Å; W332-K334 PolarHBondContact O-N 2.89Å; K334-R336 HydrophobicContact CB-CB 4.32Å; K334-R336 PolarHBondContact O-N 3.4Å
335	S	95.9	Very high	97.7	Very high	54 Å²	54	48.5 Å²	48.5	38%	0.378	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	36.9	-174	-64.9	0	0	0	0	113.5	K291 D331 W332 Q333	K291-S335 WeakPolarHBondContact CD-OG 3.38Å; D331-S335 PolarHBondContact O-N 3.2Å; W332-S335 PolarHBondContact O-N 2.88Å; Q333-S335 VanDerWaalsContact C-N 3.34Å
336	R	96.5	Very high	97.6	Very high	138 Å²	138	50.8 Å²	50.8	52%	0.521	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.8	-170.6	-177.7	-174.1	65.8	159.9	0.7	111.6	W330 D331 K334 I338	W330-R336 WeakPolarHBondContact CA-O 3.45Å; D331-R336 HydrophobicContact CB-CB 4.44Å; D331-R336 PolarHBondContact N-O 3Å; D331-R336 PolarHBondContact O-N 2.83Å; D331-R336 IonicContact OD2-NH2 3.72Å; K334-R336 HydrophobicContact CB-CB 4.32Å; K334-R336 PolarHBondContact O-N 3.4Å; R336-I338 PolarHBondContact O-N 3.31Å
337	K	97.9	Very high	97.6	Very high	56 Å²	56	52 Å²	52	24%	0.243	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	123.7	165.8	-162.7	165.6	67.9	-172.2	0	109.3	E297 W330 E340	E297-K337 WeakPolarHBondContact OE2-CE 3.48Å; E297-K337 IonicContact OE2-NZ 2.75Å; E297-K337 PolarHBondContact OE2-NZ 2.89Å; W330-K337 HydrophobicContact CD2-CB 4.08Å; W330-K337 HydrophobicContact CD2-CG 4.24Å; W330-K337 HydrophobicContact CE3-CB 3.81Å; W330-K337 HydrophobicContact CE3-CG 4.46Å; W330-K337 VanDerWaalsContact CE3-N 3.3Å; W330-K337 HydrophobicContact CH2-CB 3.79Å; W330-K337 HydrophobicContact CH2-CD 3.9Å; W330-K337 HydrophobicContact CH2-CG 4.12Å; W330-K337 HydrophobicContact CZ2-CB 4.08Å; W330-K337 HydrophobicContact CZ2-CD 3.64Å; W330-K337 HydrophobicContact CZ2-CG 3.92Å; W330-K337 HydrophobicContact CZ3-CB 3.66Å; W330-K337 HydrophobicContact CZ3-CG 4.4Å; K337-E340 HydrophobicContact CD-CB 4.24Å; K337-E340 VanDerWaalsContact CE-OE1 3.3Å; K337-E340 WeakPolarHBondContact CE-OE1 3.25Å; K337-E340 VanDerWaalsContact CE-OE2 3.28Å; K337-E340 WeakPolarHBondContact CE-OE2 3.44Å; K337-E340 IonicContact NZ-OE1 2.62Å; K337-E340 PolarHBondContact NZ-OE1 3.07Å; K337-E340 IonicContact NZ-OE2 2.96Å; K337-E340 PolarHBondContact NZ-OE2 3.35Å
338	I	97.8	Very high	97.5	Very high	49 Å²	49	52.3 Å²	52.3	25%	0.251	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-45.6	177	-56.2	164.7	0	0	0	109.6	I329 D331 R336 F374 G376	I329-I338 HydrophobicContact CG2-CD1 4.28Å; I329-I338 PolarHBondContact O-N 2.76Å; D331-I338 HydrophobicContact CB-CD1 4.04Å; D331-I338 HydrophobicContact CB-CG1 4.1Å; R336-I338 PolarHBondContact O-N 3.31Å; I338-F374 HydrophobicContact CG2-CE2 4.24Å; I338-F374 HydrophobicContact CG2-CZ 3.81Å; I338-G376 WeakPolarHBondContact CG2-O 3.39Å
339	T	98.1	Very high	97.4	Very high	20 Å²	20	52.7 Å²	52.7	12%	0.123	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	159.8	-179.5	-157.2	0	0	0	0	111.3	S328 I329 F374 C377 L379	S328-T339 WeakPolarHBondContact CA-O 3.48Å; I329-T339 HydrophobicContact CB-CG2 4.13Å; I329-T339 HydrophobicContact CG1-CG2 3.95Å; I329-T339 PolarHBondContact N-O 3.01Å; I329-T339 PolarHBondContact O-N 3.24Å; T339-F374 HydrophobicContact CG2-CD2 4.06Å; T339-F374 HydrophobicContact CG2-CE2 3.71Å; T339-C377 WeakPolarHBondContact CB-O 3.41Å; T339-C377 PolarHBondContact OG1-O 2.88Å; T339-L379 HydrophobicContact CG2-CD1 4.11Å; T339-L379 HydrophobicContact CG2-CG 3.88Å
340	E	97.4	Very high	97.4	Very high	97 Å²	97	52.9 Å²	52.9	45%	0.453	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	151.7	172.2	73	-167.2	149.6	0	0	111.4	V326 I327 K337	V326-E340 HydrophobicContact CG1-CB 3.95Å; V326-E340 HydrophobicContact CG1-CG 4.46Å; I327-E340 CarbonylContact O-C 3.54Å; I327-E340 VanDerWaalsContact O-CA 3.29Å; I327-E340 WeakPolarHBondContact O-CA 3.2Å; K337-E340 HydrophobicContact CD-CB 4.24Å; K337-E340 VanDerWaalsContact CE-OE1 3.3Å; K337-E340 WeakPolarHBondContact CE-OE1 3.25Å; K337-E340 VanDerWaalsContact CE-OE2 3.28Å; K337-E340 WeakPolarHBondContact CE-OE2 3.44Å; K337-E340 IonicContact NZ-OE1 2.62Å; K337-E340 PolarHBondContact NZ-OE1 3.07Å; K337-E340 IonicContact NZ-OE2 2.96Å; K337-E340 PolarHBondContact NZ-OE2 3.35Å
341	T	98	Very high	97.4	Very high	54 Å²	54	53.3 Å²	53.3	33%	0.331	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	168.8	174.2	-169.4	0	0	0	0	111.5	I327 C343 W372 L379	I327-T341 HydrophobicContact CG2-CG2 3.7Å; I327-T341 WeakPolarHBondContact CG2-O 3.28Å; I327-T341 PolarHBondContact N-O 2.79Å; I327-T341 PolarHBondContact O-N 2.84Å; T341-C343 PolarHBondContact O-N 3.03Å; T341-W372 HydrophobicContact CG2-CH2 4.12Å; T341-W372 HydrophobicContact CG2-CZ3 3.63Å; T341-L379 HydrophobicContact CG2-CB 3.8Å; T341-L379 HydrophobicContact CG2-CD1 4.08Å
342	K	97.7	Very high	97.4	Very high	122 Å²	122	55.3 Å²	55.3	53%	0.53	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	118	177.8	-60.8	-174.3	177.2	-156.7	0	110.7	D324	D324-K342 HydrophobicContact CB-CB 4.25Å; D324-K342 HydrophobicContact CB-CD 3.77Å; D324-K342 HydrophobicContact CB-CG 3.88Å; D324-K342 IonicContact OD1-NZ 2.7Å; D324-K342 WeakPolarHBondContact OD2-CE 3.37Å; D324-K342 IonicContact OD2-NZ 3.68Å; D324-K342 PolarHBondContact OD2-NZ 2.94Å
343	C	97.7	Very high	97.4	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.007	27%	0.273	C	S	.	.			trans	-74.5	-59.2	176.3	-165.6	0	0	0	0	110.3	D324 H325 I327 T341 I348 S363 W372 K381	D324-C343 PolarHBondContact O-N 2.78Å; H325-C343 HydrophobicContact CB-CB 4.39Å; H325-C343 WeakPolarHBondContact O-CA 3.43Å; H325-C343 WeakPolarHBondContact O-CB 3.16Å; H325-C343 PolarHBondContact O-N 3.27Å; I327-C343 HydrophobicContact CB-CB 3.96Å; I327-C343 HydrophobicContact CG2-CB 3.87Å; T341-C343 PolarHBondContact O-N 3.03Å; C343-I348 HydrophobicContact CB-CD1 4.5Å; C343-I348 HydrophobicContact CB-CG1 4.35Å; C343-S363 PolarHBondContact SG-OG 3.21Å; C343-W372 HydrophobicContact CB-CZ2 4.29Å; C343-K381 PolarHBondContact O-NZ 3.04Å
344	S	97.4	Very high	97.5	Very high	19 Å²	19	50.9 Å²	50.9	13%	0.133	26%	0.256	C	S	.	.			trans	-164.6	147.6	-171.2	-179.7	0	0	0	0	111.3	D324 H325 E346	D324-S344 CarbonylContact C-O 3.5Å; D324-S344 PolarHBondContact O-N 3.41Å; H325-S344 WeakPolarHBondContact CB-O 3.15Å; H325-S344 PolarHBondContact CD2-O 3.36Å; H325-S344 PolarHBondContact N-O 2.8Å; S344-E346 WeakPolarHBondContact CB-O 3.26Å; S344-E346 PolarHBondContact O-N 3.27Å; S344-E346 PolarHBondContact OG-N 2.93Å; S344-E346 PolarHBondContact OG-O 3.33Å
345	T	97	Very high	97.4	Very high	105 Å²	105	46.6 Å²	46.6	64%	0.644	24%	0.242	S	C	*	.	S	Bend	trans	-80.1	3.5	168	57.6	0	0	0	0	113
346	E	97.6	Very high	97.4	Very high	69 Å²	69	47.5 Å²	47.5	32%	0.322	24%	0.242	S	C	.	.	S	Bend	trans	-129.5	146.1	-173.5	-74.2	-79	-152.4	0	0	110.2	H325 S344 I348 K366	H325-E346 PolarHBondContact CD2-O 3.41Å; S344-E346 WeakPolarHBondContact CB-O 3.26Å; S344-E346 PolarHBondContact O-N 3.27Å; S344-E346 PolarHBondContact OG-N 2.93Å; S344-E346 PolarHBondContact OG-O 3.33Å; E346-I348 PolarHBondContact O-N 2.93Å; E346-K366 HydrophobicContact CB-CB 4.27Å; E346-K366 VanDerWaalsContact OE1-CE 3.3Å; E346-K366 WeakPolarHBondContact OE1-CE 3.45Å; E346-K366 IonicContact OE1-NZ 2.87Å; E346-K366 PolarHBondContact OE1-NZ 3.14Å; E346-K366 WeakPolarHBondContact OE2-CD 3.49Å; E346-K366 VanDerWaalsContact OE2-CE 3.32Å; E346-K366 WeakPolarHBondContact OE2-CE 3.23Å; E346-K366 IonicContact OE2-NZ 2.78Å; E346-K366 PolarHBondContact OE2-NZ 3.22Å
347	P	96.7	Very high	97.4	Very high	59 Å²	59	43.3 Å²	43.3	38%	0.383	23%	0.23	S	C	.	.			trans	-50.2	125.2	-170.7	-32.1	36.4	0	0	0	115.6	H325 G365 K366	H325-P347 WeakPolarHBondContact NE2-CA 3.43Å; P347-G365 CarbonylContact O-C 3.53Å; P347-G365 VanDerWaalsContact O-CA 3.23Å; P347-G365 WeakPolarHBondContact O-CA 3.32Å; P347-K366 PolarHBondContact O-N 3.4Å
348	I	98	Very high	97.2	Very high	6 Å²	6	43 Å²	43	3%	0.031	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	136.5	170.8	-59.5	-55.5	0	0	0	109.6	V319 H325 C343 E346 G364 H368	V319-I348 HydrophobicContact CG1-CB 4.16Å; V319-I348 HydrophobicContact CG1-CG1 4.15Å; V319-I348 HydrophobicContact CG1-CG2 4.16Å; H325-I348 HydrophobicContact CB-CG1 4.05Å; C343-I348 HydrophobicContact CB-CD1 4.5Å; C343-I348 HydrophobicContact CB-CG1 4.35Å; E346-I348 PolarHBondContact O-N 2.93Å; I348-G364 WeakPolarHBondContact CG2-O 3.13Å; I348-H368 HydrophobicContact CD1-CB 4.48Å; I348-H368 VanDerWaalsContact CD1-CD2 3.46Å; I348-H368 WeakPolarHBondContact CD1-CD2 3.39Å
349	T	96.7	Very high	97.1	Very high	9 Å²	9	42.2 Å²	42.2	6%	0.055	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-32.5	-179.1	51.4	0	0	0	0	112.7	R211 G364 G365 F398 I399	R211-T349 WeakPolarHBondContact CD-O 3.41Å; T349-G364 PolarHBondContact N-O 3.35Å; T349-G364 VanDerWaalsContact OG1-C 3.24Å; T349-G364 PolarHBondContact OG1-O 3.32Å; T349-G364 VanDerWaalsContact OG1-O 3.07Å; T349-G365 WeakPolarHBondContact OG1-CA 3.47Å; T349-G365 PolarHBondContact OG1-N 3.46Å; T349-F398 HydrophobicContact CG2-CD1 4.39Å; T349-I399 PolarHBondContact OG1-O 3.35Å
350	A	97.4	Very high	97.1	Very high	4 Å²	4	43 Å²	43	3%	0.033	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	152.2	-180	0	0	0	0	0	111.8	S363 G364 L402	A350-S363 VanDerWaalsContact O-CA 3.27Å; A350-S363 WeakPolarHBondContact O-CA 3.4Å; A350-S363 WeakPolarHBondContact O-CB 3.34Å; A350-G364 PolarHBondContact N-O 3Å; A350-G364 PolarHBondContact O-N 3.27Å; A350-L402 HydrophobicContact CB-CD1 3.71Å; A350-L402 HydrophobicContact CB-CG 3.84Å
351	V	98.1	Very high	97.1	Very high	10 Å²	10	38.4 Å²	38.4	6%	0.061	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139.3	163.2	76.1	0	0	0	0	108.6	C304 V319 I327 V362	C304-V351 HydrophobicContact CB-CB 4.17Å; C304-V351 HydrophobicContact CB-CG1 3.67Å; V319-V351 HydrophobicContact CG2-CB 4.02Å; V319-V351 HydrophobicContact CG2-CG1 4.1Å; V319-V351 HydrophobicContact CG2-CG2 4.27Å; I327-V351 HydrophobicContact CD1-CG2 4.04Å; V351-V362 CarbonylContact C-O 3.5Å; V351-V362 VanDerWaalsContact CA-O 3.32Å; V351-V362 WeakPolarHBondContact CA-O 3.24Å; V351-V362 WeakPolarHBondContact CG2-O 3.5Å
352	E	97.8	Very high	97.1	Very high	51 Å²	51	36 Å²	36	24%	0.238	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	133.1	178.6	-159.1	177.8	178.7	0	0	111.1	S306 L361 V362 F404	S306-E352 WeakPolarHBondContact OG-CA 3.46Å; E352-L361 CarbonylContact O-C 3.54Å; E352-L361 VanDerWaalsContact O-CA 3.31Å; E352-L361 WeakPolarHBondContact O-CA 3.42Å; E352-V362 PolarHBondContact N-O 2.81Å; E352-V362 PolarHBondContact O-N 3.41Å; E352-F404 HydrophobicContact CB-CE2 3.99Å; E352-F404 HydrophobicContact CG-CD2 4.26Å; E352-F404 HydrophobicContact CG-CE2 3.84Å
353	F	98.1	Very high	97.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	142.4	165.6	-88.1	-86.3	0	0	0	110.2	S306 F307 S308 K315 C317 I329 L361	S306-F353 WeakPolarHBondContact O-CD2 3.38Å; S306-F353 WeakPolarHBondContact O-CE2 3.18Å; S306-F353 PolarHBondContact OG-N 2.92Å; S306-F353 VanDerWaalsContact OG-N 3.11Å; F307-F353 VanDerWaalsContact C-CD2 3.45Å; S308-F353 VanDerWaalsContact N-CD2 3.27Å; K315-F353 HydrophobicContact CB-CE2 4.42Å; K315-F353 HydrophobicContact CB-CZ 3.84Å; K315-F353 HydrophobicContact CD-CZ 4.46Å; C317-F353 HydrophobicContact CB-CD2 4.09Å; C317-F353 HydrophobicContact CB-CE2 3.52Å; C317-F353 HydrophobicContact CB-CZ 4.26Å; I329-F353 HydrophobicContact CD1-CZ 4.24Å; I329-F353 HydrophobicContact CG2-CZ 4.36Å; F353-L361 HydrophobicContact CD1-CD1 4.17Å; F353-L361 HydrophobicContact CD1-CD2 3.82Å; F353-L361 HydrophobicContact CD1-CG 3.56Å; F353-L361 HydrophobicContact CD2-CD2 3.85Å; F353-L361 HydrophobicContact CD2-CG 4.42Å; F353-L361 HydrophobicContact CE1-CD1 3.89Å; F353-L361 HydrophobicContact CE1-CD2 3.67Å; F353-L361 HydrophobicContact CE1-CG 3.68Å; F353-L361 HydrophobicContact CE2-CD2 3.73Å; F353-L361 HydrophobicContact CG-CD2 3.91Å; F353-L361 HydrophobicContact CG-CG 3.96Å; F353-L361 HydrophobicContact CZ-CD2 3.64Å; F353-L361 HydrophobicContact CZ-CG 4.2Å
354	H	97.9	Very high	97.2	Very high	12 Å²	12	30.2 Å²	30.2	6%	0.056	18%	0.175	C	C	.	.			trans	-64.8	132.6	175.2	-177.5	-84.5	0	0	0	110.6	L356 D357 T360 F404 G408 R424	H354-L356 PolarHBondContact ND1-N 3.24Å; H354-L356 VanDerWaalsContact ND1-N 3.16Å; H354-L356 PolarHBondContact O-N 3.44Å; H354-D357 HydrophobicContact CB-CB 4.41Å; H354-D357 PolarHBondContact ND1-N 2.85Å; H354-D357 VanDerWaalsContact ND1-N 3.18Å; H354-D357 PolarHBondContact O-N 2.94Å; H354-D357 VanDerWaalsContact O-O 3.07Å; H354-T360 VanDerWaalsContact CB-OG1 3.28Å; H354-T360 WeakPolarHBondContact CB-OG1 3.09Å; H354-T360 PolarHBondContact N-O 2.93Å; H354-F404 HydrophobicContact CB-CE1 4.43Å; H354-F404 HydrophobicContact CB-CZ 4.28Å; H354-F404 AromaticContact CD2-CD1 3.95Å; H354-F404 AromaticContact CD2-CE1 3.51Å; H354-G408 PolarHBondContact NE2-O 3.35Å; H354-R424 PolarHBondContact CE1-NE 3.4Å
355	P	95.7	Very high	97.2	Very high	43 Å²	43	29.3 Å²	29.3	28%	0.279	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-22.3	-170.5	25.4	-35.3	0	0	0	114	F404	P355-F404 HydrophobicContact CG-CB 3.62Å; P355-F404 HydrophobicContact CG-CD1 4.39Å; P355-F404 HydrophobicContact CG-CD2 4.25Å; P355-F404 HydrophobicContact CG-CG 3.86Å
356	L	96	Very high	97.2	Very high	74 Å²	74	27.3 Å²	27.3	39%	0.387	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	17.7	-177.8	-42.6	170.9	0	0	0	113	H354 R424	H354-L356 PolarHBondContact ND1-N 3.24Å; H354-L356 VanDerWaalsContact ND1-N 3.16Å; H354-L356 PolarHBondContact O-N 3.44Å; L356-R424 PolarHBondContact O-NH2 3.07Å; L356-R424 VanDerWaalsContact O-NH2 3.1Å
357	D	95.3	Very high	97.2	Very high	50 Å²	50	27.1 Å²	27.1	27%	0.267	17%	0.168	S	C	.	.			trans	-162.9	117.1	176.3	175.2	21.3	0	0	0	111.4	H354 A359 T360	H354-D357 HydrophobicContact CB-CB 4.41Å; H354-D357 PolarHBondContact ND1-N 2.85Å; H354-D357 VanDerWaalsContact ND1-N 3.18Å; H354-D357 PolarHBondContact O-N 2.94Å; H354-D357 VanDerWaalsContact O-O 3.07Å; D357-A359 VanDerWaalsContact C-N 3.3Å; D357-A359 PolarHBondContact O-N 2.84Å; D357-A359 WeakPolarHBondContact OD1-CB 3.27Å; D357-A359 PolarHBondContact OD1-N 2.84Å; D357-T360 WeakPolarHBondContact CB-OG1 3.39Å; D357-T360 VanDerWaalsContact CG-OG1 3.25Å; D357-T360 WeakPolarHBondContact OD2-CB 3.47Å; D357-T360 WeakPolarHBondContact OD2-CG2 3.42Å; D357-T360 PolarHBondContact OD2-N 2.99Å; D357-T360 PolarHBondContact OD2-OG1 3.31Å
358	D	94.6	Very high	97.2	Very high	48 Å²	48	24.8 Å²	24.8	26%	0.257	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-3.1	178.4	61	-65.9	0	0	0	114	T310 D311 K315	T310-D358 VanDerWaalsContact OG1-CB 3.25Å; T310-D358 WeakPolarHBondContact OG1-CB 3.35Å; T310-D358 PolarHBondContact OG1-N 3.29Å; T310-D358 PolarHBondContact OG1-OD1 3.33Å; D311-D358 HydrophobicContact CB-CB 4.23Å; K315-D358 IonicContact NZ-OD2 3.07Å; K315-D358 PolarHBondContact NZ-OD2 3.48Å
359	A	96.5	Very high	97.2	Very high	33 Å²	33	24.6 Å²	24.6	27%	0.273	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-9.4	170.4	0	0	0	0	0	113.1	D357 T373 F374	D357-A359 VanDerWaalsContact C-N 3.3Å; D357-A359 PolarHBondContact O-N 2.84Å; D357-A359 WeakPolarHBondContact OD1-CB 3.27Å; D357-A359 PolarHBondContact OD1-N 2.84Å; A359-T373 CarbonylContact O-C 3.57Å; A359-T373 WeakPolarHBondContact O-CA 3.43Å; A359-F374 PolarHBondContact O-N 3.33Å
360	T	97.3	Very high	97.3	Very high	36 Å²	36	24.2 Å²	24.2	22%	0.221	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	141.9	176	43.4	0	0	0	0	114.4	H354 D357 W372	H354-T360 VanDerWaalsContact CB-OG1 3.28Å; H354-T360 WeakPolarHBondContact CB-OG1 3.09Å; H354-T360 PolarHBondContact N-O 2.93Å; D357-T360 WeakPolarHBondContact CB-OG1 3.39Å; D357-T360 VanDerWaalsContact CG-OG1 3.25Å; D357-T360 WeakPolarHBondContact OD2-CB 3.47Å; D357-T360 WeakPolarHBondContact OD2-CG2 3.42Å; D357-T360 PolarHBondContact OD2-N 2.99Å; D357-T360 PolarHBondContact OD2-OG1 3.31Å; T360-W372 WeakPolarHBondContact CA-O 3.37Å
361	L	97.4	Very high	97.3	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	159.5	173	-49.3	87.7	0	0	0	109.9	C317 I329 E352 F353 W372 F374 L379	C317-L361 HydrophobicContact CB-CD2 3.72Å; I329-L361 HydrophobicContact CD1-CD1 4.49Å; I329-L361 HydrophobicContact CD1-CD2 3.71Å; E352-L361 CarbonylContact O-C 3.54Å; E352-L361 VanDerWaalsContact O-CA 3.31Å; E352-L361 WeakPolarHBondContact O-CA 3.42Å; F353-L361 HydrophobicContact CD1-CD1 4.17Å; F353-L361 HydrophobicContact CD1-CD2 3.82Å; F353-L361 HydrophobicContact CD1-CG 3.56Å; F353-L361 HydrophobicContact CD2-CD2 3.85Å; F353-L361 HydrophobicContact CD2-CG 4.42Å; F353-L361 HydrophobicContact CE1-CD1 3.89Å; F353-L361 HydrophobicContact CE1-CD2 3.67Å; F353-L361 HydrophobicContact CE1-CG 3.68Å; F353-L361 HydrophobicContact CE2-CD2 3.73Å; F353-L361 HydrophobicContact CG-CD2 3.91Å; F353-L361 HydrophobicContact CG-CG 3.96Å; F353-L361 HydrophobicContact CZ-CD2 3.64Å; F353-L361 HydrophobicContact CZ-CG 4.2Å; L361-W372 HydrophobicContact CB-CB 4.19Å; L361-W372 HydrophobicContact CD1-CB 4.37Å; L361-W372 PolarHBondContact N-O 3.44Å; L361-W372 PolarHBondContact O-N 2.82Å; L361-F374 HydrophobicContact CD1-CB 4.15Å; L361-L379 HydrophobicContact CD1-CD2 4.08Å
362	V	98.4	Very high	97.3	Very high	5 Å²	5	25.2 Å²	25.2	3%	0.03	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.9	170.9	-179.3	0	0	0	0	108.7	V351 E352 L369 A370 F371 L402 F404 L410	V351-V362 CarbonylContact C-O 3.5Å; V351-V362 VanDerWaalsContact CA-O 3.32Å; V351-V362 WeakPolarHBondContact CA-O 3.24Å; V351-V362 WeakPolarHBondContact CG2-O 3.5Å; E352-V362 PolarHBondContact N-O 2.81Å; E352-V362 PolarHBondContact O-N 3.41Å; V362-L369 HydrophobicContact CG1-CD1 3.7Å; V362-A370 WeakPolarHBondContact CA-O 3.18Å; V362-F371 HydrophobicContact CG2-CD1 3.9Å; V362-F371 HydrophobicContact CG2-CE1 4.09Å; V362-L402 HydrophobicContact CB-CD1 4.35Å; V362-L402 HydrophobicContact CG1-CD1 3.96Å; V362-L402 HydrophobicContact CG1-CD2 4.28Å; V362-F404 HydrophobicContact CG2-CE1 4.44Å; V362-F404 HydrophobicContact CG2-CZ 3.92Å; V362-L410 HydrophobicContact CB-CD1 4.44Å; V362-L410 HydrophobicContact CB-CD2 4.45Å; V362-L410 HydrophobicContact CG1-CD1 4.26Å; V362-L410 HydrophobicContact CG1-CD2 3.73Å; V362-L410 HydrophobicContact CG2-CD1 4.31Å; V362-L410 HydrophobicContact CG2-CD2 4.08Å
363	S	98.5	Very high	97.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.8	162.2	63.6	0	0	0	0	112	C343 A350 H368 L369 A370 W372	C343-S363 PolarHBondContact SG-OG 3.21Å; A350-S363 VanDerWaalsContact O-CA 3.27Å; A350-S363 WeakPolarHBondContact O-CA 3.4Å; A350-S363 WeakPolarHBondContact O-CB 3.34Å; S363-H368 PolarHBondContact O-CD2 3.14Å; S363-H368 VanDerWaalsContact O-CD2 3.24Å; S363-H368 PolarHBondContact O-NE2 2.77Å; S363-H368 PolarHBondContact OG-NE2 3.15Å; S363-L369 WeakPolarHBondContact O-CA 3.33Å; S363-A370 PolarHBondContact N-O 3.25Å; S363-A370 PolarHBondContact O-N 2.64Å; S363-W372 PolarHBondContact OG-NE1 2.76Å
364	G	98.1	Very high	97.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	155.2	178.8	0	0	0	0	0	111.2	I348 T349 A350 H368	I348-G364 WeakPolarHBondContact CG2-O 3.13Å; T349-G364 PolarHBondContact N-O 3.35Å; T349-G364 VanDerWaalsContact OG1-C 3.24Å; T349-G364 PolarHBondContact OG1-O 3.32Å; T349-G364 VanDerWaalsContact OG1-O 3.07Å; A350-G364 PolarHBondContact N-O 3Å; A350-G364 PolarHBondContact O-N 3.27Å; G364-H368 CarbonylContact C-O 3.55Å; G364-H368 WeakPolarHBondContact CA-O 3.44Å
365	G	98	Very high	97.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.7	-164.8	-179.1	0	0	0	0	0	113.8	P347 T349 G367 H368 F398 I399	P347-G365 CarbonylContact O-C 3.53Å; P347-G365 VanDerWaalsContact O-CA 3.23Å; P347-G365 WeakPolarHBondContact O-CA 3.32Å; T349-G365 WeakPolarHBondContact OG1-CA 3.47Å; T349-G365 PolarHBondContact OG1-N 3.46Å; G365-G367 PolarHBondContact O-N 2.88Å; G365-H368 PolarHBondContact N-O 3.05Å; G365-H368 PolarHBondContact O-N 3.37Å; G365-F398 WeakPolarHBondContact O-CA 3.36Å; G365-I399 PolarHBondContact O-N 2.9Å
366	K	97.8	Very high	97.2	Very high	64 Å²	64	30.3 Å²	30.3	28%	0.278	19%	0.188	S	C	.	.	B	Isolated β-bridge	trans	-66.4	117.8	173.3	-174.1	-179.8	153.2	-151.9	0	110.1	E346 P347 H368 K397 F398	E346-K366 HydrophobicContact CB-CB 4.27Å; E346-K366 VanDerWaalsContact OE1-CE 3.3Å; E346-K366 WeakPolarHBondContact OE1-CE 3.45Å; E346-K366 IonicContact OE1-NZ 2.87Å; E346-K366 PolarHBondContact OE1-NZ 3.14Å; E346-K366 WeakPolarHBondContact OE2-CD 3.49Å; E346-K366 VanDerWaalsContact OE2-CE 3.32Å; E346-K366 WeakPolarHBondContact OE2-CE 3.23Å; E346-K366 IonicContact OE2-NZ 2.78Å; E346-K366 PolarHBondContact OE2-NZ 3.22Å; P347-K366 PolarHBondContact O-N 3.4Å; K366-H368 PolarHBondContact O-N 3.08Å; K366-K397 CarbonylContact C-O 3.56Å; K366-K397 WeakPolarHBondContact CA-O 3.48Å; K366-F398 HydrophobicContact CB-CD1 3.6Å; K366-F398 HydrophobicContact CB-CE1 3.46Å; K366-F398 VanDerWaalsContact CB-CE1 3.46Å; K366-F398 HydrophobicContact CB-CG 4.24Å; K366-F398 HydrophobicContact CB-CZ 3.96Å; K366-F398 HydrophobicContact CD-CE1 4.08Å; K366-F398 HydrophobicContact CD-CE2 4.36Å; K366-F398 HydrophobicContact CD-CZ 3.76Å; K366-F398 HydrophobicContact CG-CD1 4.15Å; K366-F398 HydrophobicContact CG-CD2 4.42Å; K366-F398 HydrophobicContact CG-CE1 3.8Å; K366-F398 HydrophobicContact CG-CE2 4.07Å; K366-F398 HydrophobicContact CG-CG 4.45Å; K366-F398 HydrophobicContact CG-CZ 3.74Å
367	G	96.4	Very high	97.1	Very high	65 Å²	65	31.1 Å²	31.1	67%	0.67	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	15.7	-176.2	0	0	0	0	0	114.5	G365 K397	G365-G367 PolarHBondContact O-N 2.88Å; G367-K397 PolarHBondContact N-O 3.37Å
368	H	97.6	Very high	97.1	Very high	9 Å²	9	32.1 Å²	32.1	4%	0.042	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	123.8	-165.3	179.1	87.8	0	0	0	111.5	I348 S363 G364 G365 K366 A370	I348-H368 HydrophobicContact CD1-CB 4.48Å; I348-H368 VanDerWaalsContact CD1-CD2 3.46Å; I348-H368 WeakPolarHBondContact CD1-CD2 3.39Å; S363-H368 PolarHBondContact O-CD2 3.14Å; S363-H368 VanDerWaalsContact O-CD2 3.24Å; S363-H368 PolarHBondContact O-NE2 2.77Å; S363-H368 PolarHBondContact OG-NE2 3.15Å; G364-H368 CarbonylContact C-O 3.55Å; G364-H368 WeakPolarHBondContact CA-O 3.44Å; G365-H368 PolarHBondContact N-O 3.05Å; G365-H368 PolarHBondContact O-N 3.37Å; K366-H368 PolarHBondContact O-N 3.08Å; H368-A370 VanDerWaalsContact CE1-CB 3.43Å; H368-A370 WeakPolarHBondContact CE1-CB 3.25Å
369	L	98.2	Very high	97.3	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	111.9	161.2	-177.2	64.8	0	0	0	107.5	V362 S363 F371 M383 G384 F386 I399 L402 L410 T412 W422	V362-L369 HydrophobicContact CG1-CD1 3.7Å; S363-L369 WeakPolarHBondContact O-CA 3.33Å; L369-F371 HydrophobicContact CD2-CE2 4.1Å; L369-F371 HydrophobicContact CD2-CZ 4.43Å; L369-F371 HydrophobicContact CG-CE2 4.14Å; L369-M383 WeakPolarHBondContact O-CA 3.43Å; L369-M383 WeakPolarHBondContact O-CE 3.46Å; L369-G384 PolarHBondContact O-N 2.92Å; L369-F386 HydrophobicContact CB-CZ 4.34Å; L369-F386 HydrophobicContact CD2-CZ 4.22Å; L369-I399 HydrophobicContact CB-CG1 4.09Å; L369-I399 HydrophobicContact CD1-CG1 4.36Å; L369-L402 HydrophobicContact CD1-CD2 4.2Å; L369-L410 HydrophobicContact CD1-CD2 4.39Å; L369-T412 HydrophobicContact CD1-CG2 4.3Å; L369-T412 HydrophobicContact CD2-CG2 4.46Å; L369-W422 HydrophobicContact CD2-CD2 4.01Å; L369-W422 VanDerWaalsContact CD2-CE2 3.41Å; L369-W422 HydrophobicContact CD2-CE3 4.31Å; L369-W422 HydrophobicContact CD2-CH2 3.61Å; L369-W422 HydrophobicContact CD2-CZ2 3.2Å; L369-W422 HydrophobicContact CD2-CZ3 4.14Å
370	A	98.2	Very high	97.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.5	-177.5	0	0	0	0	0	111	V362 S363 H368 W372 K381 M383	V362-A370 WeakPolarHBondContact CA-O 3.18Å; S363-A370 PolarHBondContact N-O 3.25Å; S363-A370 PolarHBondContact O-N 2.64Å; H368-A370 VanDerWaalsContact CE1-CB 3.43Å; H368-A370 WeakPolarHBondContact CE1-CB 3.25Å; A370-W372 HydrophobicContact CB-CZ2 4.19Å; A370-W372 VanDerWaalsContact O-CD1 3.24Å; A370-W372 PolarHBondContact O-NE1 2.86Å; A370-K381 HydrophobicContact CB-CB 4.46Å; A370-M383 HydrophobicContact CB-CE 4.49Å; A370-M383 HydrophobicContact CB-SD 4.07Å
371	F	98.2	Very high	97.2	Very high	31 Å²	31	35.1 Å²	35.1	14%	0.136	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	117.1	169.3	-63.6	-98.1	0	0	0	107.4	V362 L369 K381 K382 L410 W422 N427	V362-F371 HydrophobicContact CG2-CD1 3.9Å; V362-F371 HydrophobicContact CG2-CE1 4.09Å; L369-F371 HydrophobicContact CD2-CE2 4.1Å; L369-F371 HydrophobicContact CD2-CZ 4.43Å; L369-F371 HydrophobicContact CG-CE2 4.14Å; F371-K381 WeakPolarHBondContact O-CA 3.18Å; F371-K382 PolarHBondContact N-O 3.09Å; F371-K382 PolarHBondContact O-N 3.17Å; F371-L410 HydrophobicContact CE1-CD2 3.81Å; F371-L410 HydrophobicContact CZ-CD2 3.75Å; F371-W422 HydrophobicContact CE1-CB 4.35Å; F371-W422 HydrophobicContact CE2-CD2 4.41Å; F371-W422 HydrophobicContact CE2-CE3 4.01Å; F371-W422 HydrophobicContact CE2-CZ3 4.46Å; F371-W422 HydrophobicContact CZ-CB 3.9Å; F371-W422 AromaticContact CZ-CD2 3.93Å; F371-W422 HydrophobicContact CZ-CD2 3.93Å; F371-W422 AromaticContact CZ-CE3 3.87Å; F371-W422 HydrophobicContact CZ-CE3 3.87Å; F371-W422 AromaticContact CZ-CG 3.96Å; F371-W422 HydrophobicContact CZ-CG 3.96Å; F371-N427 HydrophobicContact CB-CB 4.36Å; F371-N427 HydrophobicContact CD2-CB 3.52Å; F371-N427 HydrophobicContact CE2-CB 3.95Å; F371-N427 HydrophobicContact CG-CB 3.95Å
372	W	98.2	Very high	97.2	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	139.1	-176.4	-59.5	85.5	0	0	0	110.4	I327 T341 C343 T360 L361 S363 A370 L379 S380 K381	I327-W372 HydrophobicContact CD1-CD2 4.37Å; I327-W372 HydrophobicContact CG2-CH2 3.78Å; I327-W372 HydrophobicContact CG2-CZ2 4.08Å; I327-W372 HydrophobicContact CG2-CZ3 4.11Å; T341-W372 HydrophobicContact CG2-CH2 4.12Å; T341-W372 HydrophobicContact CG2-CZ3 3.63Å; C343-W372 HydrophobicContact CB-CZ2 4.29Å; T360-W372 WeakPolarHBondContact CA-O 3.37Å; L361-W372 HydrophobicContact CB-CB 4.19Å; L361-W372 HydrophobicContact CD1-CB 4.37Å; L361-W372 PolarHBondContact N-O 3.44Å; L361-W372 PolarHBondContact O-N 2.82Å; S363-W372 PolarHBondContact OG-NE1 2.76Å; A370-W372 HydrophobicContact CB-CZ2 4.19Å; A370-W372 VanDerWaalsContact O-CD1 3.24Å; A370-W372 PolarHBondContact O-NE1 2.86Å; W372-L379 HydrophobicContact CB-CD2 4.25Å; W372-L379 HydrophobicContact CE3-CB 3.92Å; W372-L379 HydrophobicContact CE3-CD2 4.45Å; W372-L379 HydrophobicContact CZ3-CB 4.2Å; W372-S380 CarbonylContact C-O 3.57Å; W372-S380 VanDerWaalsContact CA-O 3.26Å; W372-S380 WeakPolarHBondContact CA-O 3.4Å; W372-K381 HydrophobicContact CD2-CB 3.88Å; W372-K381 HydrophobicContact CE3-CB 3.59Å; W372-K381 HydrophobicContact CE3-CD 4.49Å; W372-K381 HydrophobicContact CH2-CB 4.04Å; W372-K381 HydrophobicContact CH2-CD 3.4Å; W372-K381 HydrophobicContact CH2-CG 4.33Å; W372-K381 HydrophobicContact CZ2-CB 4.25Å; W372-K381 HydrophobicContact CZ2-CD 3.79Å; W372-K381 HydrophobicContact CZ3-CB 3.69Å; W372-K381 HydrophobicContact CZ3-CD 3.79Å; W372-K381 HydrophobicContact CZ3-CG 4.27Å
373	T	98	Very high	97.2	Very high	57 Å²	57	45.1 Å²	45.1	35%	0.35	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.1	168.4	-53.3	0	0	0	0	108.7	A359 S380	A359-T373 CarbonylContact O-C 3.57Å; A359-T373 WeakPolarHBondContact O-CA 3.43Å; T373-S380 PolarHBondContact N-O 3.36Å; T373-S380 PolarHBondContact O-N 2.78Å; T373-S380 PolarHBondContact O-OG 2.87Å
374	F	97.6	Very high	97.1	Very high	13 Å²	13	45.5 Å²	45.5	6%	0.057	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	115.9	177.2	177.1	-118.3	0	0	0	109.7	K315 I329 I338 T339 A359 L361 G376 T378 L379	K315-F374 HydrophobicContact CD-CD1 4.21Å; K315-F374 HydrophobicContact CD-CE1 3.85Å; I329-F374 HydrophobicContact CG1-CD2 4.39Å; I329-F374 HydrophobicContact CG2-CZ 4.42Å; I338-F374 HydrophobicContact CG2-CE2 4.24Å; I338-F374 HydrophobicContact CG2-CZ 3.81Å; T339-F374 HydrophobicContact CG2-CD2 4.06Å; T339-F374 HydrophobicContact CG2-CE2 3.71Å; A359-F374 PolarHBondContact O-N 3.33Å; L361-F374 HydrophobicContact CD1-CB 4.15Å; F374-G376 VanDerWaalsContact C-N 3.34Å; F374-G376 WeakPolarHBondContact CZ-O 3.45Å; F374-T378 WeakPolarHBondContact CA-O 3.34Å; F374-T378 WeakPolarHBondContact CD2-O 3.41Å; F374-L379 HydrophobicContact CB-CD2 3.86Å; F374-L379 HydrophobicContact CD2-CD2 4.16Å; F374-L379 HydrophobicContact CD2-CG 4.36Å; F374-L379 HydrophobicContact CG-CD2 4.42Å
375	D	96.1	Very high	97	Very high	106 Å²	106	48.5 Å²	48.5	57%	0.567	28%	0.282	S	S	*	.			trans	-89.4	3.9	-176.7	65.5	21.3	0	0	0	114.1	C377 T378	D375-C377 WeakPolarHBondContact OD1-CA 3.4Å; D375-C377 PolarHBondContact OD1-N 3.07Å; D375-T378 PolarHBondContact N-O 3.39Å; D375-T378 PolarHBondContact OD1-N 3.17Å; D375-T378 PolarHBondContact OD2-OG1 3.41Å
376	G	93.7	Very high	96.9	Very high	37 Å²	37	49.5 Å²	49.5	38%	0.381	29%	0.287	S	S	.	.	S	Bend	trans	101.8	-20.9	-171.2	0	0	0	0	0	114.3	I338 F374	I338-G376 WeakPolarHBondContact CG2-O 3.39Å; F374-G376 VanDerWaalsContact C-N 3.34Å; F374-G376 WeakPolarHBondContact CZ-O 3.45Å
377	C	94.1	Very high	96.6	Very high	92 Å²	92	51.5 Å²	51.5	62%	0.622	30%	0.297	S	S	*	.	S	Bend	trans	-130.8	-32.5	-176.3	-70	0	0	0	0	113.5	T339 D375	T339-C377 WeakPolarHBondContact CB-O 3.41Å; T339-C377 PolarHBondContact OG1-O 2.88Å; D375-C377 WeakPolarHBondContact OD1-CA 3.4Å; D375-C377 PolarHBondContact OD1-N 3.07Å
378	T	96.5	Very high	96	Very high	70 Å²	70	51.2 Å²	51.2	43%	0.429	28%	0.28	S	S	.	.			trans	-135	157.3	-173.5	84.9	0	0	0	0	111.9	F374 D375	F374-T378 WeakPolarHBondContact CA-O 3.34Å; F374-T378 WeakPolarHBondContact CD2-O 3.41Å; D375-T378 PolarHBondContact N-O 3.39Å; D375-T378 PolarHBondContact OD1-N 3.17Å; D375-T378 PolarHBondContact OD2-OG1 3.41Å
379	L	97.6	Very high	95.3	Very high	18 Å²	18	54 Å²	54	9%	0.094	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	116.5	173	-81.4	173.6	0	0	0	109.5	I327 I329 T339 T341 L361 W372 F374	I327-L379 HydrophobicContact CD1-CD1 4.37Å; I327-L379 HydrophobicContact CG1-CD1 4.12Å; I327-L379 HydrophobicContact CG2-CD1 4.04Å; I329-L379 HydrophobicContact CD1-CD1 4.24Å; I329-L379 HydrophobicContact CD1-CD2 4.47Å; I329-L379 HydrophobicContact CG1-CD1 3.91Å; I329-L379 HydrophobicContact CG1-CD2 4.25Å; I329-L379 HydrophobicContact CG1-CG 4.23Å; T339-L379 HydrophobicContact CG2-CD1 4.11Å; T339-L379 HydrophobicContact CG2-CG 3.88Å; T341-L379 HydrophobicContact CG2-CB 3.8Å; T341-L379 HydrophobicContact CG2-CD1 4.08Å; L361-L379 HydrophobicContact CD1-CD2 4.08Å; W372-L379 HydrophobicContact CB-CD2 4.25Å; W372-L379 HydrophobicContact CE3-CB 3.92Å; W372-L379 HydrophobicContact CE3-CD2 4.45Å; W372-L379 HydrophobicContact CZ3-CB 4.2Å; F374-L379 HydrophobicContact CB-CD2 3.86Å; F374-L379 HydrophobicContact CD2-CD2 4.16Å; F374-L379 HydrophobicContact CD2-CG 4.36Å; F374-L379 HydrophobicContact CG-CD2 4.42Å
380	S	97	Very high	94.5	Very high	65 Å²	65	63.8 Å²	63.8	46%	0.455	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	145.7	169.9	65.5	0	0	0	0	110.1	W372 T373	W372-S380 CarbonylContact C-O 3.57Å; W372-S380 VanDerWaalsContact CA-O 3.26Å; W372-S380 WeakPolarHBondContact CA-O 3.4Å; T373-S380 PolarHBondContact N-O 3.36Å; T373-S380 PolarHBondContact O-N 2.78Å; T373-S380 PolarHBondContact O-OG 2.87Å
381	K	96.2	Very high	94	Very high	98 Å²	98	70.6 Å²	70.6	43%	0.426	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	141.1	-177.4	79.2	-170.2	-173	-174.2	0	113.8	C343 A370 F371 W372	C343-K381 PolarHBondContact O-NZ 3.04Å; A370-K381 HydrophobicContact CB-CB 4.46Å; F371-K381 WeakPolarHBondContact O-CA 3.18Å; W372-K381 HydrophobicContact CD2-CB 3.88Å; W372-K381 HydrophobicContact CE3-CB 3.59Å; W372-K381 HydrophobicContact CE3-CD 4.49Å; W372-K381 HydrophobicContact CH2-CB 4.04Å; W372-K381 HydrophobicContact CH2-CD 3.4Å; W372-K381 HydrophobicContact CH2-CG 4.33Å; W372-K381 HydrophobicContact CZ2-CB 4.25Å; W372-K381 HydrophobicContact CZ2-CD 3.79Å; W372-K381 HydrophobicContact CZ3-CB 3.69Å; W372-K381 HydrophobicContact CZ3-CD 3.79Å; W372-K381 HydrophobicContact CZ3-CG 4.27Å
382	K	97.6	Very high	93.6	Very high	131 Å²	131	74.3 Å²	74.3	57%	0.57	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119	129	166.7	-64.5	177.1	-176.7	171.9	0	108.3	F371 N427	F371-K382 PolarHBondContact N-O 3.09Å; F371-K382 PolarHBondContact O-N 3.17Å; K382-N427 HydrophobicContact CB-CB 4.36Å
383	M	97.3	Very high	93.3	Very high	85 Å²	85	75.2 Å²	75.2	42%	0.419	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	149.9	176.9	-57.2	-55	-62.6	0	0	110.7	L369 A370 I385 N427	L369-M383 WeakPolarHBondContact O-CA 3.43Å; L369-M383 WeakPolarHBondContact O-CE 3.46Å; A370-M383 HydrophobicContact CB-CE 4.49Å; A370-M383 HydrophobicContact CB-SD 4.07Å; M383-I385 PolarHBondContact O-N 2.99Å; M383-N427 PolarHBondContact O-ND2 2.77Å
384	G	96.8	Very high	93	Very high	7 Å²	7	81 Å²	81	7%	0.072	44%	0.441	C	S	.	.			trans	-59.3	130	171.3	0	0	0	0	0	112.1	L369 F386	L369-G384 PolarHBondContact O-N 2.92Å; G384-F386 WeakPolarHBondContact O-CD2 3.33Å
385	I	96.3	Very high	92.8	Very high	64 Å²	64	87.7 Å²	87.7	33%	0.328	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-94.7	104.8	174.2	-61.2	170	0	0	0	107.2	M383 E387 N427 T428 V429	M383-I385 PolarHBondContact O-N 2.99Å; I385-E387 HydrophobicContact CG2-CB 4Å; I385-E387 HydrophobicContact CG2-CG 3.89Å; I385-E387 PolarHBondContact O-N 2.85Å; I385-N427 WeakPolarHBondContact CD1-ND2 3.02Å; I385-N427 PolarHBondContact N-O 3.18Å; I385-T428 HydrophobicContact CB-CG2 4.04Å; I385-T428 HydrophobicContact CD1-CG2 4.03Å; I385-T428 HydrophobicContact CG2-CG2 4.36Å; I385-V429 PolarHBondContact O-N 2.89Å
386	F	94.9	Very high	92.7	Very high	21 Å²	21	83.3 Å²	83.3	9%	0.092	45%	0.447	C	S	.	.			trans	-79.9	62.7	-179.4	-69.1	-97.2	0	0	0	110.5	L369 G384 I393 K395 P396 I399 I420 W422	L369-F386 HydrophobicContact CB-CZ 4.34Å; L369-F386 HydrophobicContact CD2-CZ 4.22Å; G384-F386 WeakPolarHBondContact O-CD2 3.33Å; F386-I393 HydrophobicContact CB-CB 4.3Å; F386-I393 PolarHBondContact O-N 2.71Å; F386-K395 HydrophobicContact CB-CG 4Å; F386-K395 HydrophobicContact CD2-CD 4.21Å; F386-K395 HydrophobicContact CD2-CG 3.87Å; F386-K395 HydrophobicContact CG-CG 3.89Å; F386-P396 HydrophobicContact CE1-CG 3.9Å; F386-P396 HydrophobicContact CZ-CG 4.4Å; F386-I399 HydrophobicContact CZ-CD1 4.48Å; F386-I420 HydrophobicContact CD1-CD1 4.28Å; F386-I420 HydrophobicContact CE1-CD1 4.02Å; F386-W422 AromaticContact CD1-CH2 3.77Å; F386-W422 HydrophobicContact CD1-CH2 3.77Å; F386-W422 HydrophobicContact CD1-CZ2 4.11Å; F386-W422 HydrophobicContact CD2-CH2 4.04Å; F386-W422 AromaticContact CE1-CH2 3.61Å; F386-W422 HydrophobicContact CE1-CH2 3.61Å; F386-W422 AromaticContact CE1-CZ2 3.63Å; F386-W422 HydrophobicContact CE1-CZ2 3.63Å; F386-W422 AromaticContact CE2-CH2 3.91Å; F386-W422 HydrophobicContact CE2-CH2 3.91Å; F386-W422 AromaticContact CG-CH2 3.99Å; F386-W422 HydrophobicContact CG-CH2 3.99Å; F386-W422 AromaticContact CZ-CH2 3.69Å; F386-W422 HydrophobicContact CZ-CH2 3.69Å; F386-W422 AromaticContact CZ-CZ2 3.88Å; F386-W422 HydrophobicContact CZ-CZ2 3.88Å
387	E	92	Very high	92.9	Very high	106 Å²	106	88.6 Å²	88.6	50%	0.495	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	128.9	177.5	-61.3	175.4	-175	0	0	108	I385 Q391	I385-E387 HydrophobicContact CG2-CB 4Å; I385-E387 HydrophobicContact CG2-CG 3.89Å; I385-E387 PolarHBondContact O-N 2.85Å; E387-Q391 CarbonylContact C-O 3.51Å; E387-Q391 WeakPolarHBondContact CA-O 3.42Å
388	N	84.9	Confident	93	Very high	59 Å²	59	86.9 Å²	86.9	32%	0.316	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	103.7	170.7	-175	-2.6	0	0	0	108.6	K390 Q391 I393 V429	N388-K390 PolarHBondContact O-N 3.45Å; N388-Q391 PolarHBondContact N-O 2.77Å; N388-Q391 PolarHBondContact O-N 3.33Å; N388-I393 HydrophobicContact CB-CD1 3.93Å; N388-V429 HydrophobicContact CB-CG1 4.31Å
389	G	81.6	Confident	93.1	Very high	68 Å²	68	83.7 Å²	83.7	70%	0.701	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	-96.5	-173.7	0	0	0	0	0	112.5
390	K	81.5	Confident	93.1	Very high	208 Å²	208	83.8 Å²	83.8	90%	0.904	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	2.5	175.9	-66.9	-173.9	179.1	-179.5	0	113.4	N388	N388-K390 PolarHBondContact O-N 3.45Å
391	Q	87.4	Confident	93.1	Very high	143 Å²	143	80.7 Å²	80.7	67%	0.668	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	120	-178.5	-66.7	-177.1	-6.5	0	0	109.6	E387 N388	E387-Q391 CarbonylContact C-O 3.51Å; E387-Q391 WeakPolarHBondContact CA-O 3.42Å; N388-Q391 PolarHBondContact N-O 2.77Å; N388-Q391 PolarHBondContact O-N 3.33Å
392	P	90.3	Very high	93.2	Very high	109 Å²	109	76.6 Å²	76.6	71%	0.708	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	142.5	173.9	30.2	-34.1	0	0	0	110.4
393	I	92	Very high	93.1	Very high	23 Å²	23	71.5 Å²	71.5	12%	0.118	36%	0.364	C	S	.	.			trans	-107.8	138.9	174.7	-63.2	170.2	0	0	0	108	F386 N388 K395 V429 I432	F386-I393 HydrophobicContact CB-CB 4.3Å; F386-I393 PolarHBondContact O-N 2.71Å; N388-I393 HydrophobicContact CB-CD1 3.93Å; I393-K395 PolarHBondContact O-N 2.65Å; I393-V429 HydrophobicContact CD1-CB 4.06Å; I393-V429 HydrophobicContact CD1-CG1 3.75Å; I393-V429 HydrophobicContact CD1-CG2 4.03Å; I393-I432 HydrophobicContact CD1-CB 4.39Å; I393-I432 HydrophobicContact CD1-CD1 4.18Å; I393-I432 HydrophobicContact CD1-CG2 4.09Å; I393-I432 HydrophobicContact CG2-CD1 3.74Å
394	E	91.9	Very high	93	Very high	178 Å²	178	68.5 Å²	68.5	83%	0.832	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-61.5	128.8	173.6	-173.3	174.9	175.9	0	0	110.3	P396	E394-P396 WeakPolarHBondContact O-CD 3.41Å
395	K	93.3	Very high	92.9	Very high	153 Å²	153	69 Å²	69	67%	0.665	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-74.2	121.9	-177.9	-66.5	-174.3	179.3	180	0	109.8	F386 I393	F386-K395 HydrophobicContact CB-CG 4Å; F386-K395 HydrophobicContact CD2-CD 4.21Å; F386-K395 HydrophobicContact CD2-CG 3.87Å; F386-K395 HydrophobicContact CG-CG 3.89Å; I393-K395 PolarHBondContact O-N 2.65Å
396	P	94.4	Very high	92.6	Very high	15 Å²	15	73.3 Å²	73.3	10%	0.097	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-68.2	150.2	179.4	28.4	-34.4	0	0	0	111.7	F386 E394 F398 I399 D414	F386-P396 HydrophobicContact CE1-CG 3.9Å; F386-P396 HydrophobicContact CZ-CG 4.4Å; E394-P396 WeakPolarHBondContact O-CD 3.41Å; P396-F398 VanDerWaalsContact C-N 3.33Å; P396-F398 PolarHBondContact O-N 3.11Å; P396-I399 HydrophobicContact CG-CD1 3.69Å; P396-D414 HydrophobicContact CB-CB 3.59Å; P396-D414 WeakPolarHBondContact CB-OD2 3.4Å; P396-D414 HydrophobicContact CG-CB 3.77Å
397	K	96.5	Very high	92.4	Very high	147 Å²	147	76.6 Å²	76.6	64%	0.639	39%	0.389	S	S	*	.	S	Bend	trans	-64.6	-36.4	178.8	-170.5	-175.7	-179.7	-179	0	112.3	K366 G367 S415	K366-K397 CarbonylContact C-O 3.56Å; K366-K397 WeakPolarHBondContact CA-O 3.48Å; G367-K397 PolarHBondContact N-O 3.37Å; K397-S415 PolarHBondContact N-OG 3.08Å; K397-S415 VanDerWaalsContact N-OG 3.14Å
398	F	97.6	Very high	92.5	Very high	56 Å²	56	71.6 Å²	71.6	25%	0.246	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-137	142.1	171	-65	-110.6	0	0	0	110.3	T349 G365 K366 P396 L400 D414 S415	T349-F398 HydrophobicContact CG2-CD1 4.39Å; G365-F398 WeakPolarHBondContact O-CA 3.36Å; K366-F398 HydrophobicContact CB-CD1 3.6Å; K366-F398 HydrophobicContact CB-CE1 3.46Å; K366-F398 VanDerWaalsContact CB-CE1 3.46Å; K366-F398 HydrophobicContact CB-CG 4.24Å; K366-F398 HydrophobicContact CB-CZ 3.96Å; K366-F398 HydrophobicContact CD-CE1 4.08Å; K366-F398 HydrophobicContact CD-CE2 4.36Å; K366-F398 HydrophobicContact CD-CZ 3.76Å; K366-F398 HydrophobicContact CG-CD1 4.15Å; K366-F398 HydrophobicContact CG-CD2 4.42Å; K366-F398 HydrophobicContact CG-CE1 3.8Å; K366-F398 HydrophobicContact CG-CE2 4.07Å; K366-F398 HydrophobicContact CG-CG 4.45Å; K366-F398 HydrophobicContact CG-CZ 3.74Å; P396-F398 VanDerWaalsContact C-N 3.33Å; P396-F398 PolarHBondContact O-N 3.11Å; F398-L400 HydrophobicContact CB-CD2 3.69Å; F398-L400 HydrophobicContact CB-CG 4.08Å; F398-L400 HydrophobicContact CD1-CD2 4.46Å; F398-L400 HydrophobicContact CG-CD2 4.24Å; F398-D414 CarbonylContact O-C 3.4Å; F398-D414 WeakPolarHBondContact O-CA 3.24Å; F398-S415 PolarHBondContact N-OG 3.42Å; F398-S415 PolarHBondContact O-N 2.89Å; F398-S415 PolarHBondContact O-OG 3.07Å
399	I	98.2	Very high	93	Very high	3 Å²	3	69.8 Å²	69.8	2%	0.015	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	129.1	148.2	-57	-55.9	0	0	0	107	T349 G365 L369 F386 P396 L402 T412 D414	T349-I399 PolarHBondContact OG1-O 3.35Å; G365-I399 PolarHBondContact O-N 2.9Å; L369-I399 HydrophobicContact CB-CG1 4.09Å; L369-I399 HydrophobicContact CD1-CG1 4.36Å; F386-I399 HydrophobicContact CZ-CD1 4.48Å; P396-I399 HydrophobicContact CG-CD1 3.69Å; I399-L402 HydrophobicContact CG2-CD2 3.67Å; I399-T412 HydrophobicContact CG2-CG2 4.3Å; I399-D414 HydrophobicContact CD1-CB 4.07Å
400	L	97.3	Very high	93.8	Very high	20 Å²	20	66.6 Å²	66.6	11%	0.105	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	-34.6	-170	-70.1	177.5	0	0	0	112.7	F398 G413 I441 F442	F398-L400 HydrophobicContact CB-CD2 3.69Å; F398-L400 HydrophobicContact CB-CG 4.08Å; F398-L400 HydrophobicContact CD1-CD2 4.46Å; F398-L400 HydrophobicContact CG-CD2 4.24Å; L400-G413 PolarHBondContact N-O 2.78Å; L400-I441 WeakPolarHBondContact CB-O 3.21Å; L400-F442 HydrophobicContact CB-CD1 4.28Å; L400-F442 HydrophobicContact CD1-CD1 3.9Å; L400-F442 HydrophobicContact CD1-CE1 3.78Å; L400-F442 HydrophobicContact CD1-CZ 4.39Å; L400-F442 HydrophobicContact CD2-CD1 4.26Å; L400-F442 HydrophobicContact CD2-CE1 3.91Å; L400-F442 HydrophobicContact CG-CD1 4.38Å; L400-F442 HydrophobicContact CG-CE1 4.35Å
401	C	97.5	Very high	94.6	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.007	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	156	176.2	54.4	0	0	0	0	111.6	T412 G413 I441 F442	C401-T412 WeakPolarHBondContact O-CA 3.47Å; C401-G413 PolarHBondContact N-O 2.71Å; C401-G413 PolarHBondContact O-N 2.71Å; C401-G413 VanDerWaalsContact O-N 3.11Å; C401-I441 PolarHBondContact SG-O 2.88Å; C401-F442 WeakPolarHBondContact CB-O 3.29Å
402	L	97.4	Very high	95.1	Very high	12 Å²	12	50 Å²	50	6%	0.063	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	147.8	177.8	-53.2	176.4	0	0	0	107.9	A350 V362 L369 I399 L410 T412	A350-L402 HydrophobicContact CB-CD1 3.71Å; A350-L402 HydrophobicContact CB-CG 3.84Å; V362-L402 HydrophobicContact CB-CD1 4.35Å; V362-L402 HydrophobicContact CG1-CD1 3.96Å; V362-L402 HydrophobicContact CG1-CD2 4.28Å; L369-L402 HydrophobicContact CD1-CD2 4.2Å; I399-L402 HydrophobicContact CG2-CD2 3.67Å; L402-L410 HydrophobicContact CB-CD1 4.19Å; L402-L410 HydrophobicContact CD2-CD1 4.29Å; L402-T412 HydrophobicContact CD2-CG2 3.61Å
403	T	96.3	Very high	95.5	Very high	24 Å²	24	44.8 Å²	44.8	15%	0.147	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	166.4	162.2	-167.1	0	0	0	0	109.1	L411 L444 L446	T403-L411 HydrophobicContact CG2-CB 3.9Å; T403-L411 HydrophobicContact CG2-CD1 4.28Å; T403-L411 HydrophobicContact CG2-CG 4.47Å; T403-L411 PolarHBondContact N-O 3.46Å; T403-L411 PolarHBondContact O-N 3.14Å; T403-L444 HydrophobicContact CG2-CB 3.65Å; T403-L444 HydrophobicContact CG2-CD1 4.18Å; T403-L446 HydrophobicContact CG2-CD1 3.89Å; T403-L446 HydrophobicContact CG2-CG 4.33Å
404	F	95.4	Very high	95.7	Very high	21 Å²	21	43.7 Å²	43.7	9%	0.092	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.3	179.3	-71.4	-86.4	0	0	0	111.5	E352 H354 P355 V362 D409 L410 L446	E352-F404 HydrophobicContact CB-CE2 3.99Å; E352-F404 HydrophobicContact CG-CD2 4.26Å; E352-F404 HydrophobicContact CG-CE2 3.84Å; H354-F404 HydrophobicContact CB-CE1 4.43Å; H354-F404 HydrophobicContact CB-CZ 4.28Å; H354-F404 AromaticContact CD2-CD1 3.95Å; H354-F404 AromaticContact CD2-CE1 3.51Å; P355-F404 HydrophobicContact CG-CB 3.62Å; P355-F404 HydrophobicContact CG-CD1 4.39Å; P355-F404 HydrophobicContact CG-CD2 4.25Å; P355-F404 HydrophobicContact CG-CG 3.86Å; V362-F404 HydrophobicContact CG2-CE1 4.44Å; V362-F404 HydrophobicContact CG2-CZ 3.92Å; F404-D409 WeakPolarHBondContact CA-O 3.43Å; F404-L410 HydrophobicContact CD1-CB 4.02Å; F404-L410 HydrophobicContact CD1-CD1 4.29Å; F404-L410 HydrophobicContact CE1-CB 3.77Å; F404-L410 HydrophobicContact CE1-CD1 3.87Å; F404-L410 HydrophobicContact CE1-CG 4.44Å; F404-L410 HydrophobicContact CE2-CD1 4.23Å; F404-L410 HydrophobicContact CZ-CD1 3.86Å; F404-L446 VanDerWaalsContact C-CD1 3.42Å; F404-L446 WeakPolarHBondContact O-CD1 3.35Å
405	A	93.5	Very high	96	Very high	17 Å²	17	36.9 Å²	36.9	14%	0.14	18%	0.181	C	C	.	.			trans	-66.2	161.4	170	0	0	0	0	0	111.4	N407 G408 D409 L411	A405-N407 WeakPolarHBondContact CB-OD1 3.35Å; A405-N407 PolarHBondContact O-N 3.28Å; A405-N407 VanDerWaalsContact O-N 3.13Å; A405-G408 WeakPolarHBondContact O-CA 3.38Å; A405-G408 PolarHBondContact O-N 3.14Å; A405-D409 PolarHBondContact N-O 2.88Å; A405-L411 HydrophobicContact CB-CD1 4.36Å; A405-L411 HydrophobicContact CB-CG 4.47Å
406	E	90.4	Very high	96.1	Very high	155 Å²	155	32.2 Å²	32.2	72%	0.724	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.9	-176.3	-61.4	-175.4	170.2	0	0	113.8	G408	E406-G408 PolarHBondContact O-N 3.34Å
407	N	91.6	Very high	96.3	Very high	90 Å²	90	31.5 Å²	31.5	48%	0.481	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-9.8	175.2	68.7	-8.2	0	0	0	113.6	A405 D409 R424	A405-N407 WeakPolarHBondContact CB-OD1 3.35Å; A405-N407 PolarHBondContact O-N 3.28Å; A405-N407 VanDerWaalsContact O-N 3.13Å; N407-D409 VanDerWaalsContact ND2-CG 3.29Å; N407-D409 PolarHBondContact ND2-OD2 3.05Å; N407-D409 VanDerWaalsContact OD1-CB 3.31Å; N407-D409 WeakPolarHBondContact OD1-CB 3.25Å; N407-D409 PolarHBondContact OD1-N 3.31Å; N407-R424 WeakPolarHBondContact O-CD 3.23Å
408	G	94.2	Very high	96.3	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.01	14%	0.142	C	C	.	.	S	Bend	trans	85.7	10.3	-174.4	0	0	0	0	0	114.9	H354 A405 E406	H354-G408 PolarHBondContact NE2-O 3.35Å; A405-G408 WeakPolarHBondContact O-CA 3.38Å; A405-G408 PolarHBondContact O-N 3.14Å; E406-G408 PolarHBondContact O-N 3.34Å
409	D	95.4	Very high	96.3	Very high	21 Å²	21	23.2 Å²	23.2	11%	0.112	13%	0.132	C	C	.	.			trans	-68.1	134.9	167.4	-70	-17.9	0	0	0	109.3	F404 A405 N407 W422 K423 R424	F404-D409 WeakPolarHBondContact CA-O 3.43Å; A405-D409 PolarHBondContact N-O 2.88Å; N407-D409 VanDerWaalsContact ND2-CG 3.29Å; N407-D409 PolarHBondContact ND2-OD2 3.05Å; N407-D409 VanDerWaalsContact OD1-CB 3.31Å; N407-D409 WeakPolarHBondContact OD1-CB 3.25Å; N407-D409 PolarHBondContact OD1-N 3.31Å; D409-W422 WeakPolarHBondContact CA-O 3.28Å; D409-W422 WeakPolarHBondContact CB-O 3.35Å; D409-K423 WeakPolarHBondContact OD1-CA 3.1Å; D409-R424 PolarHBondContact OD1-N 3.47Å
410	L	97.8	Very high	96.2	Very high	2 Å²	2	23 Å²	23	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	133.6	175	169.3	80.6	0	0	0	109	V362 L369 F371 L402 F404 T412 A421 W422	V362-L410 HydrophobicContact CB-CD1 4.44Å; V362-L410 HydrophobicContact CB-CD2 4.45Å; V362-L410 HydrophobicContact CG1-CD1 4.26Å; V362-L410 HydrophobicContact CG1-CD2 3.73Å; V362-L410 HydrophobicContact CG2-CD1 4.31Å; V362-L410 HydrophobicContact CG2-CD2 4.08Å; L369-L410 HydrophobicContact CD1-CD2 4.39Å; F371-L410 HydrophobicContact CE1-CD2 3.81Å; F371-L410 HydrophobicContact CZ-CD2 3.75Å; L402-L410 HydrophobicContact CB-CD1 4.19Å; L402-L410 HydrophobicContact CD2-CD1 4.29Å; F404-L410 HydrophobicContact CD1-CB 4.02Å; F404-L410 HydrophobicContact CD1-CD1 4.29Å; F404-L410 HydrophobicContact CE1-CB 3.77Å; F404-L410 HydrophobicContact CE1-CD1 3.87Å; F404-L410 HydrophobicContact CE1-CG 4.44Å; F404-L410 HydrophobicContact CE2-CD1 4.23Å; F404-L410 HydrophobicContact CZ-CD1 3.86Å; L410-T412 HydrophobicContact CD1-CG2 4.29Å; L410-T412 HydrophobicContact CD2-CG2 3.58Å; L410-T412 HydrophobicContact CG-CG2 3.77Å; L410-A421 CarbonylContact O-C 3.57Å; L410-A421 WeakPolarHBondContact O-CA 3.19Å; L410-W422 HydrophobicContact CB-CB 4.17Å; L410-W422 HydrophobicContact CD2-CB 4.32Å; L410-W422 HydrophobicContact CD2-CG 4.07Å; L410-W422 PolarHBondContact N-O 2.93Å; L410-W422 PolarHBondContact O-N 3.14Å
411	L	97.5	Very high	96.1	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.9	169.4	-50	-177.8	0	0	0	109.1	T403 A405 I420 A421 L444 L446 L452 L469	T403-L411 HydrophobicContact CG2-CB 3.9Å; T403-L411 HydrophobicContact CG2-CD1 4.28Å; T403-L411 HydrophobicContact CG2-CG 4.47Å; T403-L411 PolarHBondContact N-O 3.46Å; T403-L411 PolarHBondContact O-N 3.14Å; A405-L411 HydrophobicContact CB-CD1 4.36Å; A405-L411 HydrophobicContact CB-CG 4.47Å; L411-I420 WeakPolarHBondContact CA-O 3.31Å; L411-A421 HydrophobicContact CD2-CB 3.6Å; L411-L444 HydrophobicContact CB-CD1 4.07Å; L411-L446 HydrophobicContact CD1-CD1 4.22Å; L411-L446 HydrophobicContact CD1-CD2 4.42Å; L411-L452 HydrophobicContact CD1-CD1 4.43Å; L411-L452 HydrophobicContact CD1-CD2 4.06Å; L411-L469 HydrophobicContact CD1-CD1 4.27Å; L411-L469 HydrophobicContact CD1-CD2 3.95Å; L411-L469 HydrophobicContact CD2-CD1 3.69Å
412	T	98.3	Very high	96.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	129	-179.9	64.7	0	0	0	0	111.4	L369 I399 C401 L402 L410 I420 W422	L369-T412 HydrophobicContact CD1-CG2 4.3Å; L369-T412 HydrophobicContact CD2-CG2 4.46Å; I399-T412 HydrophobicContact CG2-CG2 4.3Å; C401-T412 WeakPolarHBondContact O-CA 3.47Å; L402-T412 HydrophobicContact CD2-CG2 3.61Å; L410-T412 HydrophobicContact CD1-CG2 4.29Å; L410-T412 HydrophobicContact CD2-CG2 3.58Å; L410-T412 HydrophobicContact CG-CG2 3.77Å; T412-I420 PolarHBondContact N-O 3.46Å; T412-I420 PolarHBondContact O-N 3.12Å; T412-I420 PolarHBondContact OG1-O 3.03Å; T412-W422 PolarHBondContact OG1-NE1 2.75Å
413	G	97.9	Very high	95.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	131.9	168.9	0	0	0	0	0	110.5	L400 C401	L400-G413 PolarHBondContact N-O 2.78Å; C401-G413 PolarHBondContact N-O 2.71Å; C401-G413 PolarHBondContact O-N 2.71Å; C401-G413 VanDerWaalsContact O-N 3.11Å
414	D	97.8	Very high	95.9	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	173	-171.5	82.4	16	0	0	0	114.4	P396 F398 I399 A416 G417 N418 G440 I441	P396-D414 HydrophobicContact CB-CB 3.59Å; P396-D414 WeakPolarHBondContact CB-OD2 3.4Å; P396-D414 HydrophobicContact CG-CB 3.77Å; F398-D414 CarbonylContact O-C 3.4Å; F398-D414 WeakPolarHBondContact O-CA 3.24Å; I399-D414 HydrophobicContact CD1-CB 4.07Å; D414-A416 PolarHBondContact O-N 3.09Å; D414-A416 WeakPolarHBondContact OD1-CA 3.05Å; D414-A416 PolarHBondContact OD1-N 3Å; D414-G417 PolarHBondContact O-N 2.92Å; D414-G417 PolarHBondContact OD1-N 2.98Å; D414-N418 PolarHBondContact N-O 2.85Å; D414-N418 PolarHBondContact OD1-N 2.79Å; D414-N418 PolarHBondContact OD1-ND2 2.92Å; D414-N418 WeakPolarHBondContact OD2-CB 3.37Å; D414-N418 PolarHBondContact OD2-ND2 3.39Å; D414-G440 CarbonylContact O-C 3.41Å; D414-G440 VanDerWaalsContact O-CA 3.26Å; D414-G440 WeakPolarHBondContact O-CA 3.11Å; D414-I441 PolarHBondContact O-N 2.76Å
415	S	97.3	Very high	95.8	Very high	34 Å²	34	34.5 Å²	34.5	24%	0.238	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-13.8	179.3	58	0	0	0	0	115.8	K397 F398 G440	K397-S415 PolarHBondContact N-OG 3.08Å; K397-S415 VanDerWaalsContact N-OG 3.14Å; F398-S415 PolarHBondContact N-OG 3.42Å; F398-S415 PolarHBondContact O-N 2.89Å; F398-S415 PolarHBondContact O-OG 3.07Å; S415-G440 PolarHBondContact O-N 3.42Å
416	A	96.7	Very high	95.8	Very high	56 Å²	56	35.9 Å²	35.9	46%	0.463	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	4.2	-177.1	0	0	0	0	0	112.5	D414	D414-A416 PolarHBondContact O-N 3.09Å; D414-A416 WeakPolarHBondContact OD1-CA 3.05Å; D414-A416 PolarHBondContact OD1-N 3Å
417	G	97	Very high	96.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	85.8	18.6	177.1	0	0	0	0	0	113.9	D414 V436 H437 G439	D414-G417 PolarHBondContact O-N 2.92Å; D414-G417 PolarHBondContact OD1-N 2.98Å; G417-V436 WeakPolarHBondContact O-CB 3.47Å; G417-V436 PolarHBondContact O-N 3.01Å; G417-H437 PolarHBondContact O-N 2.74Å; G417-G439 WeakPolarHBondContact CA-O 3.32Å; G417-G439 PolarHBondContact N-O 2.86Å
418	N	97.1	Very high	96.2	Very high	20 Å²	20	28.2 Å²	28.2	11%	0.107	17%	0.171	C	C	.	.			trans	-100	147.8	179.2	-41.1	-63.9	0	0	0	112	D414 I420 I432 C433 Q434 G435 I441	D414-N418 PolarHBondContact N-O 2.85Å; D414-N418 PolarHBondContact OD1-N 2.79Å; D414-N418 PolarHBondContact OD1-ND2 2.92Å; D414-N418 WeakPolarHBondContact OD2-CB 3.37Å; D414-N418 PolarHBondContact OD2-ND2 3.39Å; N418-I420 HydrophobicContact CB-CG1 4.36Å; N418-I432 HydrophobicContact CB-CD1 4.21Å; N418-I432 HydrophobicContact CB-CG1 4.31Å; N418-C433 VanDerWaalsContact CA-O 3.29Å; N418-C433 WeakPolarHBondContact CA-O 3.36Å; N418-Q434 VanDerWaalsContact OD1-CA 3.25Å; N418-Q434 WeakPolarHBondContact OD1-CA 3.15Å; N418-G435 PolarHBondContact OD1-N 2.93Å; N418-I441 WeakPolarHBondContact O-CD1 3.3Å
419	I	97	Very high	96.3	Very high	8 Å²	8	28.5 Å²	28.5	4%	0.041	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.8	163.7	-55.8	177.3	0	0	0	107.3	I432 C433 V436 I441 L444 L452 F465	I419-I432 WeakPolarHBondContact O-CA 2.99Å; I419-C433 HydrophobicContact CB-CB 4.34Å; I419-C433 PolarHBondContact N-O 2.92Å; I419-C433 PolarHBondContact O-N 2.88Å; I419-V436 HydrophobicContact CD1-CG1 4.31Å; I419-V436 HydrophobicContact CD1-CG2 4.22Å; I419-V436 HydrophobicContact CG1-CG2 4.1Å; I419-I441 HydrophobicContact CD1-CD1 4.35Å; I419-I441 HydrophobicContact CG1-CD1 3.48Å; I419-I441 VanDerWaalsContact CG1-CD1 3.48Å; I419-L444 HydrophobicContact CD1-CD2 3.97Å; I419-L444 HydrophobicContact CG1-CD2 4.15Å; I419-L444 HydrophobicContact CG2-CD1 4.41Å; I419-L452 HydrophobicContact CD1-CD2 4.04Å; I419-L452 HydrophobicContact CG2-CD2 4.31Å; I419-F465 HydrophobicContact CD1-CD2 4.32Å; I419-F465 HydrophobicContact CD1-CE1 4.22Å; I419-F465 HydrophobicContact CD1-CE2 3.57Å; I419-F465 HydrophobicContact CD1-CZ 3.51Å
420	I	96.6	Very high	96.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.2	-179.9	-46.3	177.6	0	0	0	108.7	F386 L411 T412 N418 W422 V429 I432	F386-I420 HydrophobicContact CD1-CD1 4.28Å; F386-I420 HydrophobicContact CE1-CD1 4.02Å; L411-I420 WeakPolarHBondContact CA-O 3.31Å; T412-I420 PolarHBondContact N-O 3.46Å; T412-I420 PolarHBondContact O-N 3.12Å; T412-I420 PolarHBondContact OG1-O 3.03Å; N418-I420 HydrophobicContact CB-CG1 4.36Å; I420-W422 HydrophobicContact CB-CZ2 4.36Å; I420-W422 HydrophobicContact CD1-CZ2 4.36Å; I420-W422 HydrophobicContact CG2-CD2 4.41Å; I420-W422 HydrophobicContact CG2-CZ2 3.77Å; I420-W422 PolarHBondContact O-NE1 2.66Å; I420-V429 HydrophobicContact CG2-CB 4.19Å; I420-V429 HydrophobicContact CG2-CG1 3.59Å; I420-V429 HydrophobicContact CG2-CG2 3.57Å; I420-I432 HydrophobicContact CD1-CD1 4.32Å; I420-I432 HydrophobicContact CG1-CD1 3.99Å; I420-I432 HydrophobicContact CG1-CG1 4.1Å
421	A	95.7	Very high	95.9	Very high	5 Å²	5	34.1 Å²	34.1	4%	0.041	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	133.6	174.2	0	0	0	0	0	110.4	L410 L411 N430 Q431 L469	L410-A421 CarbonylContact O-C 3.57Å; L410-A421 WeakPolarHBondContact O-CA 3.19Å; L411-A421 HydrophobicContact CD2-CB 3.6Å; A421-N430 WeakPolarHBondContact O-CB 3.44Å; A421-N430 PolarHBondContact O-N 2.7Å; A421-Q431 HydrophobicContact CB-CB 4.19Å; A421-Q431 PolarHBondContact N-O 3.46Å; A421-Q431 PolarHBondContact O-N 2.82Å; A421-L469 HydrophobicContact CB-CD1 4.49Å
422	W	96.6	Very high	95.6	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.6	-175.8	-51.9	77	0	0	0	109.2	L369 F371 F386 D409 L410 T412 I420 R424 V429	L369-W422 HydrophobicContact CD2-CD2 4.01Å; L369-W422 VanDerWaalsContact CD2-CE2 3.41Å; L369-W422 HydrophobicContact CD2-CE3 4.31Å; L369-W422 HydrophobicContact CD2-CH2 3.61Å; L369-W422 HydrophobicContact CD2-CZ2 3.2Å; L369-W422 HydrophobicContact CD2-CZ3 4.14Å; F371-W422 HydrophobicContact CE1-CB 4.35Å; F371-W422 HydrophobicContact CE2-CD2 4.41Å; F371-W422 HydrophobicContact CE2-CE3 4.01Å; F371-W422 HydrophobicContact CE2-CZ3 4.46Å; F371-W422 HydrophobicContact CZ-CB 3.9Å; F371-W422 AromaticContact CZ-CD2 3.93Å; F371-W422 HydrophobicContact CZ-CD2 3.93Å; F371-W422 AromaticContact CZ-CE3 3.87Å; F371-W422 HydrophobicContact CZ-CE3 3.87Å; F371-W422 AromaticContact CZ-CG 3.96Å; F371-W422 HydrophobicContact CZ-CG 3.96Å; F386-W422 AromaticContact CD1-CH2 3.77Å; F386-W422 HydrophobicContact CD1-CH2 3.77Å; F386-W422 HydrophobicContact CD1-CZ2 4.11Å; F386-W422 HydrophobicContact CD2-CH2 4.04Å; F386-W422 AromaticContact CE1-CH2 3.61Å; F386-W422 HydrophobicContact CE1-CH2 3.61Å; F386-W422 AromaticContact CE1-CZ2 3.63Å; F386-W422 HydrophobicContact CE1-CZ2 3.63Å; F386-W422 AromaticContact CE2-CH2 3.91Å; F386-W422 HydrophobicContact CE2-CH2 3.91Å; F386-W422 AromaticContact CG-CH2 3.99Å; F386-W422 HydrophobicContact CG-CH2 3.99Å; F386-W422 AromaticContact CZ-CH2 3.69Å; F386-W422 HydrophobicContact CZ-CH2 3.69Å; F386-W422 AromaticContact CZ-CZ2 3.88Å; F386-W422 HydrophobicContact CZ-CZ2 3.88Å; D409-W422 WeakPolarHBondContact CA-O 3.28Å; D409-W422 WeakPolarHBondContact CB-O 3.35Å; L410-W422 HydrophobicContact CB-CB 4.17Å; L410-W422 HydrophobicContact CD2-CB 4.32Å; L410-W422 HydrophobicContact CD2-CG 4.07Å; L410-W422 PolarHBondContact N-O 2.93Å; L410-W422 PolarHBondContact O-N 3.14Å; T412-W422 PolarHBondContact OG1-NE1 2.75Å; I420-W422 HydrophobicContact CB-CZ2 4.36Å; I420-W422 HydrophobicContact CD1-CZ2 4.36Å; I420-W422 HydrophobicContact CG2-CD2 4.41Å; I420-W422 HydrophobicContact CG2-CZ2 3.77Å; I420-W422 PolarHBondContact O-NE1 2.66Å; W422-R424 PolarHBondContact O-N 2.88Å; W422-V429 HydrophobicContact CD2-CG2 4.27Å; W422-V429 HydrophobicContact CE3-CG2 3.94Å; W422-V429 HydrophobicContact CH2-CG2 3.56Å; W422-V429 HydrophobicContact CZ2-CG2 3.92Å; W422-V429 HydrophobicContact CZ3-CG2 3.58Å
423	K	94.6	Very high	95.4	Very high	114 Å²	114	36.8 Å²	36.8	50%	0.496	22%	0.216	S	C	.	.			trans	-68.7	131.5	-170.8	-175.1	170.2	-176.5	169.5	0	111.6	D409 G425 T426 N430	D409-K423 WeakPolarHBondContact OD1-CA 3.1Å; K423-G425 PolarHBondContact O-N 2.89Å; K423-T426 HydrophobicContact CB-CG2 4.29Å; K423-T426 HydrophobicContact CG-CG2 4.42Å; K423-T426 WeakPolarHBondContact O-CB 3.4Å; K423-T426 PolarHBondContact O-N 2.84Å; K423-T426 PolarHBondContact O-OG1 2.92Å; K423-N430 HydrophobicContact CB-CB 4.05Å
424	R	95	Very high	95.2	Very high	115 Å²	115	43.8 Å²	43.8	43%	0.434	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47	131.9	175.8	-176.4	177.2	175.3	-171.1	1.1	111.6	H354 L356 N407 D409 W422 T426	H354-R424 PolarHBondContact CE1-NE 3.4Å; L356-R424 PolarHBondContact O-NH2 3.07Å; L356-R424 VanDerWaalsContact O-NH2 3.1Å; N407-R424 WeakPolarHBondContact O-CD 3.23Å; D409-R424 PolarHBondContact OD1-N 3.47Å; W422-R424 PolarHBondContact O-N 2.88Å; R424-T426 PolarHBondContact O-N 2.89Å
425	G	93.5	Very high	95	Very high	83 Å²	83	46.4 Å²	46.4	86%	0.856	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	0.6	-179.2	0	0	0	0	0	114.9	K423	K423-G425 PolarHBondContact O-N 2.89Å
426	T	94.3	Very high	95	Very high	47 Å²	47	46.1 Å²	46.1	29%	0.288	27%	0.273	S	S	.	.			trans	-118.3	170	173.1	80.5	0	0	0	0	111	K423 R424 T428	K423-T426 HydrophobicContact CB-CG2 4.29Å; K423-T426 HydrophobicContact CG-CG2 4.42Å; K423-T426 WeakPolarHBondContact O-CB 3.4Å; K423-T426 PolarHBondContact O-N 2.84Å; K423-T426 PolarHBondContact O-OG1 2.92Å; R424-T426 PolarHBondContact O-N 2.89Å; T426-T428 WeakPolarHBondContact CB-OG1 3.38Å; T426-T428 PolarHBondContact OG1-N 3.17Å; T426-T428 PolarHBondContact OG1-OG1 3.19Å; T426-T428 VanDerWaalsContact OG1-OG1 3.05Å
427	N	95.5	Very high	95	Very high	34 Å²	34	43.9 Å²	43.9	18%	0.182	25%	0.253	C	S	.	.	S	Bend	trans	-115.6	26.6	169.5	61.9	-53.2	0	0	0	111.3	F371 K382 M383 I385	F371-N427 HydrophobicContact CB-CB 4.36Å; F371-N427 HydrophobicContact CD2-CB 3.52Å; F371-N427 HydrophobicContact CE2-CB 3.95Å; F371-N427 HydrophobicContact CG-CB 3.95Å; K382-N427 HydrophobicContact CB-CB 4.36Å; M383-N427 PolarHBondContact O-ND2 2.77Å; I385-N427 WeakPolarHBondContact CD1-ND2 3.02Å; I385-N427 PolarHBondContact N-O 3.18Å
428	T	95	Very high	94.9	Very high	50 Å²	50	49.6 Å²	49.6	31%	0.307	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-116.7	149	-174.8	50.3	0	0	0	0	111.3	I385 T426	I385-T428 HydrophobicContact CB-CG2 4.04Å; I385-T428 HydrophobicContact CD1-CG2 4.03Å; I385-T428 HydrophobicContact CG2-CG2 4.36Å; T426-T428 WeakPolarHBondContact CB-OG1 3.38Å; T426-T428 PolarHBondContact OG1-N 3.17Å; T426-T428 PolarHBondContact OG1-OG1 3.19Å; T426-T428 VanDerWaalsContact OG1-OG1 3.05Å
429	V	95.3	Very high	94.7	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.042	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	135.4	175.9	179.3	0	0	0	0	110.7	I385 N388 I393 I420 W422 Q431	I385-V429 PolarHBondContact O-N 2.89Å; N388-V429 HydrophobicContact CB-CG1 4.31Å; I393-V429 HydrophobicContact CD1-CB 4.06Å; I393-V429 HydrophobicContact CD1-CG1 3.75Å; I393-V429 HydrophobicContact CD1-CG2 4.03Å; I420-V429 HydrophobicContact CG2-CB 4.19Å; I420-V429 HydrophobicContact CG2-CG1 3.59Å; I420-V429 HydrophobicContact CG2-CG2 3.57Å; W422-V429 HydrophobicContact CD2-CG2 4.27Å; W422-V429 HydrophobicContact CE3-CG2 3.94Å; W422-V429 HydrophobicContact CH2-CG2 3.56Å; W422-V429 HydrophobicContact CZ2-CG2 3.92Å; W422-V429 HydrophobicContact CZ3-CG2 3.58Å; V429-Q431 WeakPolarHBondContact CG1-O 3.43Å
430	N	92.1	Very high	94.7	Very high	70 Å²	70	49.5 Å²	49.5	37%	0.374	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-43.8	174.4	-167.4	42.4	0	0	0	111.1	A421 K423	A421-N430 WeakPolarHBondContact O-CB 3.44Å; A421-N430 PolarHBondContact O-N 2.7Å; K423-N430 HydrophobicContact CB-CB 4.05Å
431	Q	92.2	Very high	94.8	Very high	70 Å²	70	49.5 Å²	49.5	33%	0.327	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	152	-177.5	179	178.2	-9.3	0	0	109.4	A421 V429	A421-Q431 HydrophobicContact CB-CB 4.19Å; A421-Q431 PolarHBondContact N-O 3.46Å; A421-Q431 PolarHBondContact O-N 2.82Å; V429-Q431 WeakPolarHBondContact CG1-O 3.43Å
432	I	93.2	Very high	94.8	Very high	35 Å²	35	51.8 Å²	51.8	18%	0.179	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	132.1	173.4	-177.2	168.1	0	0	0	109.8	I393 N418 I419 I420 Q434	I393-I432 HydrophobicContact CD1-CB 4.39Å; I393-I432 HydrophobicContact CD1-CD1 4.18Å; I393-I432 HydrophobicContact CD1-CG2 4.09Å; I393-I432 HydrophobicContact CG2-CD1 3.74Å; N418-I432 HydrophobicContact CB-CD1 4.21Å; N418-I432 HydrophobicContact CB-CG1 4.31Å; I419-I432 WeakPolarHBondContact O-CA 2.99Å; I420-I432 HydrophobicContact CD1-CD1 4.32Å; I420-I432 HydrophobicContact CG1-CD1 3.99Å; I420-I432 HydrophobicContact CG1-CG1 4.1Å; I432-Q434 HydrophobicContact CD1-CG 3.78Å; I432-Q434 HydrophobicContact CG1-CG 3.76Å; I432-Q434 HydrophobicContact CG2-CG 4.34Å
433	C	93.8	Very high	94.9	Very high	23 Å²	23	51.9 Å²	51.9	16%	0.155	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	109.3	164.5	-60.7	0	0	0	0	107.1	N418 I419 V436 F465	N418-C433 VanDerWaalsContact CA-O 3.29Å; N418-C433 WeakPolarHBondContact CA-O 3.36Å; I419-C433 HydrophobicContact CB-CB 4.34Å; I419-C433 PolarHBondContact N-O 2.92Å; I419-C433 PolarHBondContact O-N 2.88Å; C433-V436 HydrophobicContact CB-CG2 3.77Å; C433-F465 HydrophobicContact CB-CE1 4.46Å
434	Q	93.5	Very high	95	Very high	146 Å²	146	47.1 Å²	47.1	68%	0.682	28%	0.275	S	S	*	.			trans	-88.7	141.8	-175.4	-63.3	-173.9	-69	0	0	111.7	N418 I432 V436	N418-Q434 VanDerWaalsContact OD1-CA 3.25Å; N418-Q434 WeakPolarHBondContact OD1-CA 3.15Å; I432-Q434 HydrophobicContact CD1-CG 3.78Å; I432-Q434 HydrophobicContact CG1-CG 3.76Å; I432-Q434 HydrophobicContact CG2-CG 4.34Å; Q434-V436 VanDerWaalsContact C-N 3.32Å; Q434-V436 PolarHBondContact O-N 2.58Å
435	G	93.2	Very high	95.1	Very high	56 Å²	56	42.2 Å²	42.2	58%	0.577	26%	0.258	S	S	*	.			trans	60	36.5	172	0	0	0	0	0	114.7	N418 H437	N418-G435 PolarHBondContact OD1-N 2.93Å; G435-H437 PolarHBondContact O-N 2.78Å
436	V	96.3	Very high	95.1	Very high	29 Å²	29	40.3 Å²	40.3	18%	0.176	23%	0.228	C	C	.	.	S	Bend	trans	-61.6	-33.3	174.1	-178.6	0	0	0	0	111	G417 I419 C433 Q434 I441 V463 F465	G417-V436 WeakPolarHBondContact O-CB 3.47Å; G417-V436 PolarHBondContact O-N 3.01Å; I419-V436 HydrophobicContact CD1-CG1 4.31Å; I419-V436 HydrophobicContact CD1-CG2 4.22Å; I419-V436 HydrophobicContact CG1-CG2 4.1Å; C433-V436 HydrophobicContact CB-CG2 3.77Å; Q434-V436 VanDerWaalsContact C-N 3.32Å; Q434-V436 PolarHBondContact O-N 2.58Å; V436-I441 HydrophobicContact CB-CD1 4.39Å; V436-V463 HydrophobicContact CG1-CB 4.05Å; V436-V463 HydrophobicContact CG1-CG1 3.98Å; V436-V463 HydrophobicContact CG1-CG2 4.33Å; V436-F465 HydrophobicContact CB-CZ 4.44Å; V436-F465 HydrophobicContact CG1-CE2 3.9Å; V436-F465 HydrophobicContact CG1-CZ 3.59Å; V436-F465 HydrophobicContact CG2-CZ 3.92Å
437	H	97.1	Very high	95	Very high	8 Å²	8	39 Å²	39	4%	0.037	22%	0.22	C	C	.	.	S	Bend	trans	-130.9	153.7	-179.9	-72.8	-76.9	0	0	0	111.4	G417 G435 G439 I441 S454 G456 D459 R461	G417-H437 PolarHBondContact O-N 2.74Å; G435-H437 PolarHBondContact O-N 2.78Å; H437-G439 WeakPolarHBondContact CB-O 3.49Å; H437-G439 PolarHBondContact O-N 3.03Å; H437-G439 VanDerWaalsContact O-N 3.08Å; H437-I441 HydrophobicContact CB-CG1 4.37Å; H437-S454 PolarHBondContact NE2-O 2.96Å; H437-S454 PolarHBondContact NE2-OG 2.9Å; H437-G456 VanDerWaalsContact CE1-CA 3.45Å; H437-G456 WeakPolarHBondContact CE1-CA 3.13Å; H437-G456 PolarHBondContact CE1-N 3.01Å; H437-G456 VanDerWaalsContact CE1-N 3.33Å; H437-G456 VanDerWaalsContact ND1-CA 3.29Å; H437-G456 WeakPolarHBondContact ND1-CA 3.43Å; H437-D459 WeakPolarHBondContact CA-OD2 3.48Å; H437-D459 VanDerWaalsContact CB-OD2 3.24Å; H437-D459 WeakPolarHBondContact CB-OD2 3.2Å; H437-D459 IonicContact CG-OD2 2.89Å; H437-D459 IonicContact ND1-OD1 3.41Å; H437-D459 PolarHBondContact ND1-OD1 3.37Å; H437-D459 IonicContact ND1-OD2 3.7Å; H437-D459 PolarHBondContact ND1-OD2 3.04Å; H437-R461 PolarHBondContact CE1-O 2.83Å; H437-R461 VanDerWaalsContact CE1-O 3.29Å
438	E	94.4	Very high	94.7	Very high	121 Å²	121	43.4 Å²	43.4	57%	0.565	24%	0.244	S	C	*	.	S	Bend	trans	-74	5.7	178.3	-62.2	-176.4	-157.1	0	0	114.1	K458 D459 R461	E438-K458 WeakPolarHBondContact O-CD 3.42Å; E438-D459 HydrophobicContact CB-CB 4.23Å; E438-D459 HydrophobicContact CG-CB 4.35Å; E438-D459 PolarHBondContact N-OD2 3.05Å; E438-R461 IonicContact OE1-NH1 2.7Å; E438-R461 PolarHBondContact OE1-NH1 3.41Å
439	G	93.7	Very high	94.3	Very high	13 Å²	13	46.5 Å²	46.5	13%	0.134	26%	0.258	C	S	.	.	S	Bend	trans	-173.8	-162.7	-179.3	0	0	0	0	0	110.5	G417 H437	G417-G439 WeakPolarHBondContact CA-O 3.32Å; G417-G439 PolarHBondContact N-O 2.86Å; H437-G439 WeakPolarHBondContact CB-O 3.49Å; H437-G439 PolarHBondContact O-N 3.03Å; H437-G439 VanDerWaalsContact O-N 3.08Å
440	G	96.8	Very high	94	Very high	12 Å²	12	46.6 Å²	46.6	12%	0.124	26%	0.261	C	S	.	.			trans	-60.2	137.9	-171.4	0	0	0	0	0	115.4	D414 S415 G457	D414-G440 CarbonylContact O-C 3.41Å; D414-G440 VanDerWaalsContact O-CA 3.26Å; D414-G440 WeakPolarHBondContact O-CA 3.11Å; S415-G440 PolarHBondContact O-N 3.42Å; G440-G457 PolarHBondContact O-N 3.2Å
441	I	98.3	Very high	94.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	111.8	171.8	-47.4	-170.3	0	0	0	108.9	L400 C401 D414 N418 I419 V436 H437 S443 L444	L400-I441 WeakPolarHBondContact CB-O 3.21Å; C401-I441 PolarHBondContact SG-O 2.88Å; D414-I441 PolarHBondContact O-N 2.76Å; N418-I441 WeakPolarHBondContact O-CD1 3.3Å; I419-I441 HydrophobicContact CD1-CD1 4.35Å; I419-I441 HydrophobicContact CG1-CD1 3.48Å; I419-I441 VanDerWaalsContact CG1-CD1 3.48Å; V436-I441 HydrophobicContact CB-CD1 4.39Å; H437-I441 HydrophobicContact CB-CG1 4.37Å; I441-S443 WeakPolarHBondContact CG2-O 3.25Å; I441-L444 HydrophobicContact CG2-CD2 3.96Å; I441-L444 HydrophobicContact CG2-CG 4.45Å
442	F	97.3	Very high	94.3	Very high	53 Å²	53	44.2 Å²	44.2	23%	0.232	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-17.2	-176.4	-73.2	-62.8	0	0	0	114.5	L400 C401 G455 G457 R486	L400-F442 HydrophobicContact CB-CD1 4.28Å; L400-F442 HydrophobicContact CD1-CD1 3.9Å; L400-F442 HydrophobicContact CD1-CE1 3.78Å; L400-F442 HydrophobicContact CD1-CZ 4.39Å; L400-F442 HydrophobicContact CD2-CD1 4.26Å; L400-F442 HydrophobicContact CD2-CE1 3.91Å; L400-F442 HydrophobicContact CG-CD1 4.38Å; L400-F442 HydrophobicContact CG-CE1 4.35Å; C401-F442 WeakPolarHBondContact CB-O 3.29Å; F442-G455 PolarHBondContact N-O 3.2Å; F442-G457 VanDerWaalsContact CD2-CA 3.47Å; F442-R486 VanDerWaalsContact CD2-NH1 3.33Å; F442-R486 VanDerWaalsContact CE1-NH1 3.28Å
443	S	97.6	Very high	94.4	Very high	4 Å²	4	42.9 Å²	42.9	3%	0.028	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	144.7	178.3	-161.6	0	0	0	0	111.8	I441 G455 I488	I441-S443 WeakPolarHBondContact CG2-O 3.25Å; S443-G455 PolarHBondContact O-N 3.47Å; S443-I488 PolarHBondContact OG-N 3.35Å
444	L	97.5	Very high	94.6	Very high	13 Å²	13	41.8 Å²	41.8	7%	0.068	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120	168.9	-70.8	-177.9	0	0	0	106.6	T403 L411 I419 I441 L452	T403-L444 HydrophobicContact CG2-CB 3.65Å; T403-L444 HydrophobicContact CG2-CD1 4.18Å; L411-L444 HydrophobicContact CB-CD1 4.07Å; I419-L444 HydrophobicContact CD1-CD2 3.97Å; I419-L444 HydrophobicContact CG1-CD2 4.15Å; I419-L444 HydrophobicContact CG2-CD1 4.41Å; I441-L444 HydrophobicContact CG2-CD2 3.96Å; I441-L444 HydrophobicContact CG2-CG 4.45Å; L444-L452 HydrophobicContact CB-CD1 4Å; L444-L452 HydrophobicContact CD2-CD1 4.19Å; L444-L452 HydrophobicContact CD2-CD2 4.34Å
445	C	96.2	Very high	94.8	Very high	12 Å²	12	34.8 Å²	34.8	8%	0.081	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	112.2	177.9	180	0	0	0	0	109.2	I453 I488	C445-I453 PolarHBondContact N-O 2.87Å; C445-I453 PolarHBondContact O-N 2.82Å; C445-I488 HydrophobicContact CB-CB 3.79Å; C445-I488 HydrophobicContact CB-CG2 3.61Å
446	L	94.6	Very high	94.7	Very high	43 Å²	43	32.1 Å²	32.1	23%	0.225	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.2	166.5	-78.6	159.3	0	0	0	108.6	T403 F404 L411 L452	T403-L446 HydrophobicContact CG2-CD1 3.89Å; T403-L446 HydrophobicContact CG2-CG 4.33Å; F404-L446 VanDerWaalsContact C-CD1 3.42Å; F404-L446 WeakPolarHBondContact O-CD1 3.35Å; L411-L446 HydrophobicContact CD1-CD1 4.22Å; L411-L446 HydrophobicContact CD1-CD2 4.42Å; L446-L452 HydrophobicContact CD2-CB 4.02Å; L446-L452 HydrophobicContact CD2-CD1 4.21Å; L446-L452 HydrophobicContact CG-CD1 4.03Å
447	T	92.2	Very high	94.3	Very high	19 Å²	19	30.9 Å²	30.9	12%	0.117	17%	0.166	C	C	.	.			trans	-82.6	161.4	176.8	65.3	0	0	0	0	111.1	N449 G450 H451 I453	T447-N449 PolarHBondContact O-N 2.87Å; T447-G450 PolarHBondContact O-N 2.78Å; T447-H451 PolarHBondContact N-O 3.09Å; T447-H451 WeakPolarHBondContact OG1-CB 3.37Å; T447-H451 PolarHBondContact OG1-N 2.99Å; T447-H451 PolarHBondContact OG1-O 2.84Å; T447-I453 HydrophobicContact CG2-CD1 3.89Å; T447-I453 HydrophobicContact CG2-CG1 4.23Å
448	N	88	Confident	94.1	Very high	128 Å²	128	37.6 Å²	37.6	68%	0.684	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-11.4	174.5	-62.8	-36.8	0	0	0	114.7	Q490	N448-Q490 PolarHBondContact ND2-OE1 3.38Å
449	N	86.7	Confident	94.2	Very high	114 Å²	114	32.3 Å²	32.3	61%	0.61	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.6	11.8	176	-63.9	-10.4	0	0	0	112.3	T447 H451	T447-N449 PolarHBondContact O-N 2.87Å; N449-H451 PolarHBondContact O-N 2.84Å
450	G	89.1	Confident	94.3	Very high	10 Å²	10	34.2 Å²	34.2	10%	0.103	17%	0.173	C	C	.	.	S	Bend	trans	77.4	-10.6	-177.9	0	0	0	0	0	115.4	T447	T447-G450 PolarHBondContact O-N 2.78Å
451	H	93.6	Very high	94.3	Very high	87 Å²	87	37.3 Å²	37.3	40%	0.403	18%	0.182	S	C	.	.			trans	-65.9	145.2	175.6	-65.7	-177	0	0	0	111.1	T447 N449 F465 A467	T447-H451 PolarHBondContact N-O 3.09Å; T447-H451 WeakPolarHBondContact OG1-CB 3.37Å; T447-H451 PolarHBondContact OG1-N 2.99Å; T447-H451 PolarHBondContact OG1-O 2.84Å; N449-H451 PolarHBondContact O-N 2.84Å; H451-F465 WeakPolarHBondContact CA-O 3.24Å; H451-F465 VanDerWaalsContact CB-O 3.31Å; H451-F465 WeakPolarHBondContact CB-O 3.21Å; H451-A467 PolarHBondContact CD2-N 2.69Å
452	L	96.4	Very high	94.2	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	139.5	178.7	172.6	72.6	0	0	0	111.1	L411 I419 L444 L446 F465 L469	L411-L452 HydrophobicContact CD1-CD1 4.43Å; L411-L452 HydrophobicContact CD1-CD2 4.06Å; I419-L452 HydrophobicContact CD1-CD2 4.04Å; I419-L452 HydrophobicContact CG2-CD2 4.31Å; L444-L452 HydrophobicContact CB-CD1 4Å; L444-L452 HydrophobicContact CD2-CD1 4.19Å; L444-L452 HydrophobicContact CD2-CD2 4.34Å; L446-L452 HydrophobicContact CD2-CB 4.02Å; L446-L452 HydrophobicContact CD2-CD1 4.21Å; L446-L452 HydrophobicContact CG-CD1 4.03Å; L452-F465 HydrophobicContact CB-CB 4.07Å; L452-F465 HydrophobicContact CD2-CD2 4.47Å; L452-F465 PolarHBondContact N-O 2.79Å; L452-F465 PolarHBondContact O-N 2.85Å; L452-L469 HydrophobicContact CB-CD2 3.98Å; L452-L469 HydrophobicContact CD2-CD2 3.71Å; L452-L469 HydrophobicContact CG-CD2 4.49Å
453	I	96.6	Very high	94.2	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.036	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.1	173.1	-49.9	177	0	0	0	108.5	C445 T447 L462 V463 F464 I488 L496	C445-I453 PolarHBondContact N-O 2.87Å; C445-I453 PolarHBondContact O-N 2.82Å; T447-I453 HydrophobicContact CG2-CD1 3.89Å; T447-I453 HydrophobicContact CG2-CG1 4.23Å; I453-L462 HydrophobicContact CG2-CB 4.39Å; I453-V463 WeakPolarHBondContact CA-O 3.32Å; I453-F464 HydrophobicContact CD1-CD1 3.98Å; I453-F464 HydrophobicContact CD1-CE1 3.72Å; I453-F464 HydrophobicContact CG1-CD1 3.86Å; I453-F464 HydrophobicContact CG1-CE1 4.08Å; I453-F464 HydrophobicContact CG2-CD1 4.36Å; I453-F464 HydrophobicContact CG2-CE1 4.23Å; I453-F464 HydrophobicContact CG2-CZ 4.4Å; I453-I488 HydrophobicContact CG2-CD1 4.09Å; I453-L496 HydrophobicContact CD1-CD1 3.58Å; I453-L496 HydrophobicContact CD1-CD2 3.57Å; I453-L496 HydrophobicContact CD1-CG 4.23Å
454	S	97.8	Very high	94.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	135.8	176.4	64.2	0	0	0	0	112.2	H437 L462 V463	H437-S454 PolarHBondContact NE2-O 2.96Å; H437-S454 PolarHBondContact NE2-OG 2.9Å; S454-L462 WeakPolarHBondContact O-CA 3.33Å; S454-V463 PolarHBondContact N-O 2.85Å; S454-V463 PolarHBondContact O-N 2.79Å
455	G	97.5	Very high	94.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	110.1	-179.4	0	0	0	0	0	112.4	F442 S443	F442-G455 PolarHBondContact N-O 3.2Å; S443-G455 PolarHBondContact O-N 3.47Å
456	G	92.1	Very high	94	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	134.6	-178.9	0	0	0	0	0	113.7	H437 D459 R460 R461 V485	H437-G456 VanDerWaalsContact CE1-CA 3.45Å; H437-G456 WeakPolarHBondContact CE1-CA 3.13Å; H437-G456 PolarHBondContact CE1-N 3.01Å; H437-G456 VanDerWaalsContact CE1-N 3.33Å; H437-G456 VanDerWaalsContact ND1-CA 3.29Å; H437-G456 WeakPolarHBondContact ND1-CA 3.43Å; G456-D459 VanDerWaalsContact CA-OD1 3.3Å; G456-D459 WeakPolarHBondContact CA-OD1 3.46Å; G456-R460 WeakPolarHBondContact O-CA 3.43Å; G456-R461 PolarHBondContact N-O 2.94Å; G456-V485 PolarHBondContact O-N 2.93Å
457	G	87.8	Confident	93.7	Very high	2 Å²	2	39.3 Å²	39.3	2%	0.021	20%	0.203	C	C	.	.	S	Bend	trans	-74	-72.7	174.5	0	0	0	0	0	112.5	G440 F442 R460 S484	G440-G457 PolarHBondContact O-N 3.2Å; F442-G457 VanDerWaalsContact CD2-CA 3.47Å; G457-R460 PolarHBondContact O-N 2.83Å; G457-S484 WeakPolarHBondContact O-CB 3.41Å; G457-S484 PolarHBondContact O-OG 2.93Å
458	K	92.7	Very high	93.5	Very high	150 Å²	150	41.4 Å²	41.4	65%	0.652	22%	0.222	S	C	*	.	S	Bend	trans	-69.1	-38.2	-167.6	-172.5	-168.1	168.3	-145.4	0	113.3	E438	E438-K458 WeakPolarHBondContact O-CD 3.42Å
459	D	95.3	Very high	93.5	Very high	9 Å²	9	36.6 Å²	36.6	5%	0.048	20%	0.196	C	C	.	.	S	Bend	trans	-86.5	-10.9	179.1	54.4	15.6	0	0	0	113.4	H437 E438 G456 R461 E477	H437-D459 WeakPolarHBondContact CA-OD2 3.48Å; H437-D459 VanDerWaalsContact CB-OD2 3.24Å; H437-D459 WeakPolarHBondContact CB-OD2 3.2Å; H437-D459 IonicContact CG-OD2 2.89Å; H437-D459 IonicContact ND1-OD1 3.41Å; H437-D459 PolarHBondContact ND1-OD1 3.37Å; H437-D459 IonicContact ND1-OD2 3.7Å; H437-D459 PolarHBondContact ND1-OD2 3.04Å; E438-D459 HydrophobicContact CB-CB 4.23Å; E438-D459 HydrophobicContact CG-CB 4.35Å; E438-D459 PolarHBondContact N-OD2 3.05Å; G456-D459 VanDerWaalsContact CA-OD1 3.3Å; G456-D459 WeakPolarHBondContact CA-OD1 3.46Å; D459-R461 HydrophobicContact CB-CG 4.23Å; D459-R461 PolarHBondContact O-N 3.05Å; D459-R461 PolarHBondContact OD1-N 3.13Å; D459-E477 WeakPolarHBondContact O-CG 3.31Å
460	R	96.5	Very high	93.7	Very high	53 Å²	53	35 Å²	35	20%	0.2	19%	0.187	C	C	.	.			trans	60.6	20.6	-178.2	-42.1	170.8	-69.4	-139	1.9	113.8	G456 G457 E477 L478 E480	G456-R460 WeakPolarHBondContact O-CA 3.43Å; G457-R460 PolarHBondContact O-N 2.83Å; R460-E477 HydrophobicContact CB-CG 4.46Å; R460-E477 IonicContact CZ-OE1 2.85Å; R460-E477 IonicContact NE-OE1 2.83Å; R460-E477 IonicContact NH2-OE1 3.73Å; R460-E477 PolarHBondContact NH2-OE1 2.9Å; R460-L478 HydrophobicContact CB-CB 4.13Å; R460-L478 PolarHBondContact NE-O 2.86Å; R460-L478 PolarHBondContact O-N 3.04Å; R460-E480 VanDerWaalsContact NH1-CB 3.33Å; R460-E480 IonicContact NH1-OE2 2.71Å; R460-E480 PolarHBondContact NH1-OE2 3.08Å
461	R	96.7	Very high	93.8	Very high	78 Å²	78	38.5 Å²	38.5	29%	0.294	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	151.5	-173.2	-72.5	176	-173.3	144.5	9.8	113.6	H437 E438 G456 D459 V463 E476 E477	H437-R461 PolarHBondContact CE1-O 2.83Å; H437-R461 VanDerWaalsContact CE1-O 3.29Å; E438-R461 IonicContact OE1-NH1 2.7Å; E438-R461 PolarHBondContact OE1-NH1 3.41Å; G456-R461 PolarHBondContact N-O 2.94Å; D459-R461 HydrophobicContact CB-CG 4.23Å; D459-R461 PolarHBondContact O-N 3.05Å; D459-R461 PolarHBondContact OD1-N 3.13Å; R461-V463 HydrophobicContact CB-CG2 4.45Å; R461-E476 CarbonylContact C-O 3.55Å; R461-E476 WeakPolarHBondContact CA-O 3.27Å; R461-E477 HydrophobicContact CG-CB 3.95Å; R461-E477 HydrophobicContact CG-CG 3.89Å; R461-E477 IonicContact CZ-OE2 3.72Å; R461-E477 VanDerWaalsContact CZ-OE2 3.26Å; R461-E477 IonicContact NE-OE2 3.97Å; R461-E477 PolarHBondContact NE-OE2 2.79Å; R461-E477 IonicContact NH2-OE2 3.2Å; R461-E477 PolarHBondContact NH2-OE2 3.21Å
462	L	96.8	Very high	93.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.2	161.2	-57.3	171.6	0	0	0	107.4	I453 S454 F464 T475 E476 V485 I488 I498 M512	I453-L462 HydrophobicContact CG2-CB 4.39Å; S454-L462 WeakPolarHBondContact O-CA 3.33Å; L462-F464 HydrophobicContact CB-CE2 3.88Å; L462-F464 HydrophobicContact CB-CZ 4.34Å; L462-T475 VanDerWaalsContact O-CA 3.27Å; L462-T475 WeakPolarHBondContact O-CA 3.46Å; L462-E476 HydrophobicContact CB-CB 4.41Å; L462-E476 HydrophobicContact CD1-CB 4.47Å; L462-E476 PolarHBondContact N-O 2.88Å; L462-E476 PolarHBondContact O-N 3.05Å; L462-V485 HydrophobicContact CD2-CG1 4.36Å; L462-V485 HydrophobicContact CD2-CG2 3.86Å; L462-I488 HydrophobicContact CD2-CD1 3.58Å; L462-I488 HydrophobicContact CD2-CG1 4.13Å; L462-I498 HydrophobicContact CD1-CD1 3.72Å; L462-I498 HydrophobicContact CD2-CD1 4.48Å; L462-M512 HydrophobicContact CD1-CE 3.51Å
463	V	97.1	Very high	93.6	Very high	22 Å²	22	41 Å²	41	13%	0.133	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.3	176.8	-179.3	0	0	0	0	109.5	V436 I453 S454 R461 F465	V436-V463 HydrophobicContact CG1-CB 4.05Å; V436-V463 HydrophobicContact CG1-CG1 3.98Å; V436-V463 HydrophobicContact CG1-CG2 4.33Å; I453-V463 WeakPolarHBondContact CA-O 3.32Å; S454-V463 PolarHBondContact N-O 2.85Å; S454-V463 PolarHBondContact O-N 2.79Å; R461-V463 HydrophobicContact CB-CG2 4.45Å; V463-F465 HydrophobicContact CB-CE2 4.24Å; V463-F465 HydrophobicContact CG1-CD2 4.47Å; V463-F465 HydrophobicContact CG1-CE2 3.76Å; V463-F465 HydrophobicContact CG1-CZ 4.19Å
464	F	96.1	Very high	93.5	Very high	25 Å²	25	45.7 Å²	45.7	11%	0.11	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.5	-169.1	-64.2	-106	0	0	0	111.5	I453 L462 T472 R474 E476 L496 M512	I453-F464 HydrophobicContact CD1-CD1 3.98Å; I453-F464 HydrophobicContact CD1-CE1 3.72Å; I453-F464 HydrophobicContact CG1-CD1 3.86Å; I453-F464 HydrophobicContact CG1-CE1 4.08Å; I453-F464 HydrophobicContact CG2-CD1 4.36Å; I453-F464 HydrophobicContact CG2-CE1 4.23Å; I453-F464 HydrophobicContact CG2-CZ 4.4Å; L462-F464 HydrophobicContact CB-CE2 3.88Å; L462-F464 HydrophobicContact CB-CZ 4.34Å; F464-T472 WeakPolarHBondContact CB-OG1 3.48Å; F464-T472 WeakPolarHBondContact O-CB 3.25Å; F464-T472 WeakPolarHBondContact O-CG2 3.24Å; F464-T472 PolarHBondContact O-N 2.89Å; F464-T472 PolarHBondContact O-OG1 3.35Å; F464-R474 HydrophobicContact CB-CB 4.17Å; F464-R474 HydrophobicContact CD2-CB 4.11Å; F464-R474 HydrophobicContact CD2-CG 3.84Å; F464-R474 HydrophobicContact CE2-CG 4.21Å; F464-R474 HydrophobicContact CG-CB 4.32Å; F464-R474 HydrophobicContact CG-CG 4.32Å; F464-R474 PolarHBondContact N-O 3.25Å; F464-E476 HydrophobicContact CE2-CB 4.5Å; F464-E476 HydrophobicContact CE2-CG 3.79Å; F464-E476 HydrophobicContact CZ-CG 4.26Å; F464-L496 HydrophobicContact CE1-CD1 4.11Å; F464-L496 HydrophobicContact CZ-CD1 4.23Å; F464-M512 HydrophobicContact CZ-CE 4.06Å; F464-M512 HydrophobicContact CZ-CG 4.41Å; F464-M512 HydrophobicContact CZ-SD 4Å
465	F	96.1	Very high	93.3	Very high	3 Å²	3	49.1 Å²	49.1	1%	0.013	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	147.5	-178.6	-64.6	-104.6	0	0	0	110.7	I419 C433 V436 H451 L452 V463 L469 N470 P471	I419-F465 HydrophobicContact CD1-CD2 4.32Å; I419-F465 HydrophobicContact CD1-CE1 4.22Å; I419-F465 HydrophobicContact CD1-CE2 3.57Å; I419-F465 HydrophobicContact CD1-CZ 3.51Å; C433-F465 HydrophobicContact CB-CE1 4.46Å; V436-F465 HydrophobicContact CB-CZ 4.44Å; V436-F465 HydrophobicContact CG1-CE2 3.9Å; V436-F465 HydrophobicContact CG1-CZ 3.59Å; V436-F465 HydrophobicContact CG2-CZ 3.92Å; H451-F465 WeakPolarHBondContact CA-O 3.24Å; H451-F465 VanDerWaalsContact CB-O 3.31Å; H451-F465 WeakPolarHBondContact CB-O 3.21Å; L452-F465 HydrophobicContact CB-CB 4.07Å; L452-F465 HydrophobicContact CD2-CD2 4.47Å; L452-F465 PolarHBondContact N-O 2.79Å; L452-F465 PolarHBondContact O-N 2.85Å; V463-F465 HydrophobicContact CB-CE2 4.24Å; V463-F465 HydrophobicContact CG1-CD2 4.47Å; V463-F465 HydrophobicContact CG1-CE2 3.76Å; V463-F465 HydrophobicContact CG1-CZ 4.19Å; F465-L469 WeakPolarHBondContact CD1-O 3.46Å; F465-N470 CarbonylContact C-O 3.49Å; F465-N470 VanDerWaalsContact CA-O 3.22Å; F465-N470 WeakPolarHBondContact CA-O 3.5Å; F465-P471 HydrophobicContact CD1-CB 4.4Å; F465-P471 HydrophobicContact CD1-CG 4.13Å; F465-P471 HydrophobicContact CE1-CB 4.2Å; F465-P471 HydrophobicContact CE1-CG 3.69Å; F465-P471 HydrophobicContact CZ-CG 4.45Å
466	D	93.6	Very high	93.2	Very high	50 Å²	50	51.7 Å²	51.7	27%	0.267	29%	0.294	S	S	.	.			trans	-71.9	176.1	171.5	72.2	13.1	0	0	0	112	A468 L469 N470 T472	D466-A468 PolarHBondContact O-N 3.25Å; D466-A468 VanDerWaalsContact O-N 3.16Å; D466-A468 VanDerWaalsContact OD1-CA 3.27Å; D466-A468 WeakPolarHBondContact OD1-CA 3.11Å; D466-A468 WeakPolarHBondContact OD1-CB 3.25Å; D466-A468 PolarHBondContact OD1-N 2.85Å; D466-L469 PolarHBondContact O-N 2.78Å; D466-L469 PolarHBondContact OD1-N 3Å; D466-N470 PolarHBondContact N-O 2.84Å; D466-N470 PolarHBondContact OD1-N 2.88Å; D466-N470 PolarHBondContact OD1-ND2 3.11Å; D466-N470 WeakPolarHBondContact OD2-CB 3.44Å; D466-N470 PolarHBondContact OD2-ND2 3.44Å; D466-T472 HydrophobicContact CB-CG2 4.44Å
467	A	89.3	Confident	93.4	Very high	67 Å²	67	55.8 Å²	55.8	55%	0.554	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-11	178	0	0	0	0	0	114.2	H451	H451-A467 PolarHBondContact CD2-N 2.69Å
468	A	87.9	Confident	93.7	Very high	63 Å²	63	55.8 Å²	55.8	52%	0.521	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	11.8	174.3	0	0	0	0	0	112.4	D466 N470	D466-A468 PolarHBondContact O-N 3.25Å; D466-A468 VanDerWaalsContact O-N 3.16Å; D466-A468 VanDerWaalsContact OD1-CA 3.27Å; D466-A468 WeakPolarHBondContact OD1-CA 3.11Å; D466-A468 WeakPolarHBondContact OD1-CB 3.25Å; D466-A468 PolarHBondContact OD1-N 2.85Å; A468-N470 VanDerWaalsContact C-N 3.26Å; A468-N470 WeakPolarHBondContact CB-ND2 3.32Å; A468-N470 PolarHBondContact O-N 2.82Å
469	L	87.7	Confident	93.7	Very high	27 Å²	27	52.1 Å²	52.1	14%	0.141	30%	0.303	C	S	.	.	S	Bend	trans	61.3	27	-178.9	-54.7	175.3	0	0	0	114.2	L411 A421 L452 F465 D466	L411-L469 HydrophobicContact CD1-CD1 4.27Å; L411-L469 HydrophobicContact CD1-CD2 3.95Å; L411-L469 HydrophobicContact CD2-CD1 3.69Å; A421-L469 HydrophobicContact CB-CD1 4.49Å; L452-L469 HydrophobicContact CB-CD2 3.98Å; L452-L469 HydrophobicContact CD2-CD2 3.71Å; L452-L469 HydrophobicContact CG-CD2 4.49Å; F465-L469 WeakPolarHBondContact CD1-O 3.46Å; D466-L469 PolarHBondContact O-N 2.78Å; D466-L469 PolarHBondContact OD1-N 3Å
470	N	91.6	Very high	93.5	Very high	79 Å²	79	58.2 Å²	58.2	42%	0.422	33%	0.331	S	S	.	.			trans	-86.2	136.4	168	-50.3	-68.3	0	0	0	109.9	F465 D466 A468 T472	F465-N470 CarbonylContact C-O 3.49Å; F465-N470 VanDerWaalsContact CA-O 3.22Å; F465-N470 WeakPolarHBondContact CA-O 3.5Å; D466-N470 PolarHBondContact N-O 2.84Å; D466-N470 PolarHBondContact OD1-N 2.88Å; D466-N470 PolarHBondContact OD1-ND2 3.11Å; D466-N470 WeakPolarHBondContact OD2-CB 3.44Å; D466-N470 PolarHBondContact OD2-ND2 3.44Å; A468-N470 VanDerWaalsContact C-N 3.26Å; A468-N470 WeakPolarHBondContact CB-ND2 3.32Å; A468-N470 PolarHBondContact O-N 2.82Å; N470-T472 PolarHBondContact O-N 3.42Å
471	P	91.8	Very high	93.2	Very high	84 Å²	84	59.7 Å²	59.7	55%	0.545	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	127.8	170.8	-19.3	29	0	0	0	111	F465 G473	F465-P471 HydrophobicContact CD1-CB 4.4Å; F465-P471 HydrophobicContact CD1-CG 4.13Å; F465-P471 HydrophobicContact CE1-CB 4.2Å; F465-P471 HydrophobicContact CE1-CG 3.69Å; F465-P471 HydrophobicContact CZ-CG 4.45Å; P471-G473 PolarHBondContact O-N 2.71Å
472	T	93.7	Very high	93	Very high	74 Å²	74	57.7 Å²	57.7	45%	0.454	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-11.7	177.7	61.6	0	0	0	0	113.4	F464 D466 N470 R474	F464-T472 WeakPolarHBondContact CB-OG1 3.48Å; F464-T472 WeakPolarHBondContact O-CB 3.25Å; F464-T472 WeakPolarHBondContact O-CG2 3.24Å; F464-T472 PolarHBondContact O-N 2.89Å; F464-T472 PolarHBondContact O-OG1 3.35Å; D466-T472 HydrophobicContact CB-CG2 4.44Å; N470-T472 PolarHBondContact O-N 3.42Å; T472-R474 PolarHBondContact O-N 3.14Å; T472-R474 PolarHBondContact OG1-N 2.67Å
473	G	91.9	Very high	92.8	Very high	68 Å²	68	58 Å²	58	70%	0.701	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	81.3	-10	-169.4	0	0	0	0	0	114.4	P471	P471-G473 PolarHBondContact O-N 2.71Å
474	R	94	Very high	92.8	Very high	105 Å²	105	58.3 Å²	58.3	40%	0.396	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	132.8	173.1	-172.6	-175.7	-169.3	164.6	13.1	110.7	F464 T472 E476	F464-R474 HydrophobicContact CB-CB 4.17Å; F464-R474 HydrophobicContact CD2-CB 4.11Å; F464-R474 HydrophobicContact CD2-CG 3.84Å; F464-R474 HydrophobicContact CE2-CG 4.21Å; F464-R474 HydrophobicContact CG-CB 4.32Å; F464-R474 HydrophobicContact CG-CG 4.32Å; F464-R474 PolarHBondContact N-O 3.25Å; T472-R474 PolarHBondContact O-N 3.14Å; T472-R474 PolarHBondContact OG1-N 2.67Å; R474-E476 IonicContact CZ-OE1 2.69Å; R474-E476 IonicContact NE-OE1 3.65Å; R474-E476 PolarHBondContact NE-OE1 3.36Å; R474-E476 IonicContact NH2-OE1 3.26Å; R474-E476 PolarHBondContact NH2-OE1 3.31Å
475	T	94.2	Very high	92.8	Very high	73 Å²	73	57.1 Å²	57.1	45%	0.448	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	135.2	175.5	162.1	0	0	0	0	109.1	L462	L462-T475 VanDerWaalsContact O-CA 3.27Å; L462-T475 WeakPolarHBondContact O-CA 3.46Å
476	E	94.8	Very high	92.9	Very high	54 Å²	54	58.2 Å²	58.2	25%	0.252	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	133.8	176	-52	-71.1	176.5	0	0	108.2	R461 L462 F464 R474 M512	R461-E476 CarbonylContact C-O 3.55Å; R461-E476 WeakPolarHBondContact CA-O 3.27Å; L462-E476 HydrophobicContact CB-CB 4.41Å; L462-E476 HydrophobicContact CD1-CB 4.47Å; L462-E476 PolarHBondContact N-O 2.88Å; L462-E476 PolarHBondContact O-N 3.05Å; F464-E476 HydrophobicContact CE2-CB 4.5Å; F464-E476 HydrophobicContact CE2-CG 3.79Å; F464-E476 HydrophobicContact CZ-CG 4.26Å; R474-E476 IonicContact CZ-OE1 2.69Å; R474-E476 IonicContact NE-OE1 3.65Å; R474-E476 PolarHBondContact NE-OE1 3.36Å; R474-E476 IonicContact NH2-OE1 3.26Å; R474-E476 PolarHBondContact NH2-OE1 3.31Å; E476-M512 HydrophobicContact CB-CE 4.23Å; E476-M512 HydrophobicContact CG-CB 4.14Å; E476-M512 HydrophobicContact CG-CE 3.94Å; E476-M512 HydrophobicContact CG-CG 4.02Å
477	E	95.2	Very high	93.1	Very high	85 Å²	85	56.1 Å²	56.1	40%	0.397	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.1	-177.8	-168.3	173.9	135.5	0	0	111.5	D459 R460 R461	D459-E477 WeakPolarHBondContact O-CG 3.31Å; R460-E477 HydrophobicContact CB-CG 4.46Å; R460-E477 IonicContact CZ-OE1 2.85Å; R460-E477 IonicContact NE-OE1 2.83Å; R460-E477 IonicContact NH2-OE1 3.73Å; R460-E477 PolarHBondContact NH2-OE1 2.9Å; R461-E477 HydrophobicContact CG-CB 3.95Å; R461-E477 HydrophobicContact CG-CG 3.89Å; R461-E477 IonicContact CZ-OE2 3.72Å; R461-E477 VanDerWaalsContact CZ-OE2 3.26Å; R461-E477 IonicContact NE-OE2 3.97Å; R461-E477 PolarHBondContact NE-OE2 2.79Å; R461-E477 IonicContact NH2-OE2 3.2Å; R461-E477 PolarHBondContact NH2-OE2 3.21Å
478	L	95.3	Very high	93.4	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.016	31%	0.305	C	S	.	.			trans	-72	140.9	173.3	-57.1	-174	0	0	0	111.1	R460 V485 I498 T500 L506 I514	R460-L478 HydrophobicContact CB-CB 4.13Å; R460-L478 PolarHBondContact NE-O 2.86Å; R460-L478 PolarHBondContact O-N 3.04Å; L478-V485 HydrophobicContact CD1-CG2 3.69Å; L478-V485 HydrophobicContact CG-CG2 4.23Å; L478-I498 HydrophobicContact CD1-CG2 4.3Å; L478-I498 HydrophobicContact CD2-CD1 4.5Å; L478-T500 HydrophobicContact CD1-CG2 4.23Å; L478-L506 HydrophobicContact CD1-CD1 3.95Å; L478-L506 HydrophobicContact CD2-CD1 3.83Å; L478-L506 HydrophobicContact CG-CD1 4.49Å; L478-I514 HydrophobicContact CD2-CD1 3.48Å; L478-I514 VanDerWaalsContact CD2-CD1 3.48Å; L478-I514 HydrophobicContact CD2-CG2 4.23Å
479	T	92.9	Very high	93.8	Very high	73 Å²	73	51.5 Å²	51.5	45%	0.448	29%	0.287	S	S	.	.			trans	-62	153.1	173.4	73.8	0	0	0	0	111.7	L481 Y482 G483	T479-L481 PolarHBondContact O-N 3.16Å; T479-Y482 HydrophobicContact CG2-CE2 4.33Å; T479-Y482 PolarHBondContact O-N 3.04Å; T479-Y482 VanDerWaalsContact OG1-CD2 3.31Å; T479-Y482 WeakPolarHBondContact OG1-CD2 3.45Å; T479-G483 PolarHBondContact O-N 2.92Å
480	E	91.2	Very high	94.1	Very high	137 Å²	137	51.6 Å²	51.6	64%	0.64	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-27.2	179.1	-165.4	153.2	161.4	0	0	113.8	R460 Y482 G483 K502	R460-E480 VanDerWaalsContact NH1-CB 3.33Å; R460-E480 IonicContact NH1-OE2 2.71Å; R460-E480 PolarHBondContact NH1-OE2 3.08Å; E480-Y482 VanDerWaalsContact C-N 3.31Å; E480-Y482 PolarHBondContact O-N 2.79Å; E480-G483 PolarHBondContact O-N 2.95Å; E480-K502 PolarHBondContact O-NZ 3.22Å
481	L	89.7	Confident	94.1	Very high	83 Å²	83	48.1 Å²	48.1	44%	0.435	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-42	174.9	-177.5	63.7	0	0	0	111.4	T479 K502 M504	T479-L481 PolarHBondContact O-N 3.16Å; L481-K502 VanDerWaalsContact O-CD 3.23Å; L481-K502 WeakPolarHBondContact O-CD 3.45Å; L481-M504 WeakPolarHBondContact O-CE 3.32Å
482	Y	92.6	Very high	94	Very high	37 Å²	37	47.2 Å²	47.2	15%	0.145	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-23.8	-179.1	-56.9	-31.5	0	0	0	113.6	T479 E480 T500 M504 L506 I514	T479-Y482 HydrophobicContact CG2-CE2 4.33Å; T479-Y482 PolarHBondContact O-N 3.04Å; T479-Y482 VanDerWaalsContact OG1-CD2 3.31Å; T479-Y482 WeakPolarHBondContact OG1-CD2 3.45Å; E480-Y482 VanDerWaalsContact C-N 3.31Å; E480-Y482 PolarHBondContact O-N 2.79Å; Y482-T500 WeakPolarHBondContact O-CB 3.41Å; Y482-T500 PolarHBondContact O-OG1 2.98Å; Y482-M504 HydrophobicContact CD1-SD 3.84Å; Y482-L506 HydrophobicContact CD1-CD2 3.86Å; Y482-L506 HydrophobicContact CD2-CD1 3.69Å; Y482-L506 HydrophobicContact CD2-CD2 4.23Å; Y482-L506 HydrophobicContact CE1-CD2 4.18Å; Y482-L506 HydrophobicContact CE2-CD1 4.34Å; Y482-L506 HydrophobicContact CG-CD1 3.87Å; Y482-L506 HydrophobicContact CG-CD2 3.9Å; Y482-I514 HydrophobicContact CE2-CG2 4.17Å
483	G	93	Very high	93.7	Very high	6 Å²	6	46.4 Å²	46.4	6%	0.062	27%	0.27	C	S	.	.			trans	79.8	-165.6	-176.1	0	0	0	0	0	113.7	T479 E480	T479-G483 PolarHBondContact O-N 2.92Å; E480-G483 PolarHBondContact O-N 2.95Å
484	S	95.7	Very high	93.5	Very high	28 Å²	28	49.1 Å²	49.1	20%	0.196	26%	0.264	C	S	.	.			trans	-80.2	153.5	-174.5	-59.4	0	0	0	0	112.6	G457 R486 T500 T501	G457-S484 WeakPolarHBondContact O-CB 3.41Å; G457-S484 PolarHBondContact O-OG 2.93Å; S484-R486 PolarHBondContact O-N 3.17Å; S484-T500 CarbonylContact O-C 3.58Å; S484-T500 WeakPolarHBondContact O-CA 3.47Å; S484-T500 WeakPolarHBondContact O-CB 3.42Å; S484-T501 WeakPolarHBondContact CB-OG1 3.23Å; S484-T501 PolarHBondContact N-OG1 2.87Å; S484-T501 VanDerWaalsContact N-OG1 3.11Å; S484-T501 PolarHBondContact O-N 3.38Å
485	V	97.6	Very high	93.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	128.8	171.6	-176	0	0	0	0	109.6	G456 L462 L478 I488 I498	G456-V485 PolarHBondContact O-N 2.93Å; L462-V485 HydrophobicContact CD2-CG1 4.36Å; L462-V485 HydrophobicContact CD2-CG2 3.86Å; L478-V485 HydrophobicContact CD1-CG2 3.69Å; L478-V485 HydrophobicContact CG-CG2 4.23Å; V485-I488 HydrophobicContact CG1-CD1 4.08Å; V485-I488 HydrophobicContact CG1-CG1 3.75Å; V485-I498 HydrophobicContact CG1-CG2 4.05Å; V485-I498 HydrophobicContact CG2-CG2 4.44Å
486	R	97.1	Very high	93.5	Very high	27 Å²	27	42.5 Å²	42.5	10%	0.102	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-45	171.8	174.3	62.2	74.5	-135.1	6.6	112.2	G207 R208 C210 F442 S484 G499 T501	G207-R486 VanDerWaalsContact O-CG 3.27Å; G207-R486 WeakPolarHBondContact O-CG 3.23Å; G207-R486 PolarHBondContact O-NE 2.9Å; R208-R486 PolarHBondContact O-NH2 2.89Å; C210-R486 WeakPolarHBondContact O-CD 2.94Å; C210-R486 WeakPolarHBondContact O-CG 3.29Å; C210-R486 PolarHBondContact O-NE 2.79Å; F442-R486 VanDerWaalsContact CD2-NH1 3.33Å; F442-R486 VanDerWaalsContact CE1-NH1 3.28Å; S484-R486 PolarHBondContact O-N 3.17Å; R486-G499 WeakPolarHBondContact CA-O 3.26Å; R486-G499 WeakPolarHBondContact CB-O 3.38Å; R486-G499 PolarHBondContact N-O 3.34Å; R486-T501 HydrophobicContact CB-CG2 4.29Å
487	T	97.3	Very high	93.6	Very high	5 Å²	5	40 Å²	40	3%	0.031	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	143	-176.4	-168.5	0	0	0	0	109.8	Y205 L214 I498 G499	Y205-T487 VanDerWaalsContact OH-CG2 3.26Å; Y205-T487 WeakPolarHBondContact OH-CG2 3.35Å; L214-T487 HydrophobicContact CB-CG2 3.61Å; L214-T487 HydrophobicContact CD2-CG2 3.98Å; L214-T487 HydrophobicContact CG-CG2 4.44Å; T487-I498 CarbonylContact O-C 3.25Å; T487-I498 WeakPolarHBondContact O-CA 3.4Å; T487-G499 PolarHBondContact N-O 3.5Å; T487-G499 VanDerWaalsContact N-O 3.1Å; T487-G499 PolarHBondContact O-N 3.42Å
488	I	97.3	Very high	93.7	Very high	10 Å²	10	35.9 Å²	35.9	5%	0.051	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.5	175.4	-55.8	165.2	0	0	0	107	S443 C445 I453 L462 V485 I497	S443-I488 PolarHBondContact OG-N 3.35Å; C445-I488 HydrophobicContact CB-CB 3.79Å; C445-I488 HydrophobicContact CB-CG2 3.61Å; I453-I488 HydrophobicContact CG2-CD1 4.09Å; L462-I488 HydrophobicContact CD2-CD1 3.58Å; L462-I488 HydrophobicContact CD2-CG1 4.13Å; V485-I488 HydrophobicContact CG1-CD1 4.08Å; V485-I488 HydrophobicContact CG1-CG1 3.75Å; I488-I497 WeakPolarHBondContact CA-O 3.23Å
489	T	95.5	Very high	93.9	Very high	23 Å²	23	35.8 Å²	35.8	14%	0.141	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	145.9	170.2	-162.9	0	0	0	0	109.6	L214 I497	L214-T489 HydrophobicContact CG-CG2 4.21Å; T489-I497 HydrophobicContact CG2-CB 3.83Å; T489-I497 HydrophobicContact CG2-CG2 4.27Å; T489-I497 PolarHBondContact N-O 2.9Å; T489-I497 PolarHBondContact O-N 3.07Å
490	Q	93.8	Very high	94.1	Very high	29 Å²	29	32.3 Å²	32.3	14%	0.136	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	129.3	177.7	-166.7	-177	5.1	0	0	109.4	Y216 N448 G493	Y216-Q490 WeakPolarHBondContact CB-O 3.16Å; N448-Q490 PolarHBondContact ND2-OE1 3.38Å; Q490-G493 PolarHBondContact NE2-O 3.35Å
491	G	92	Very high	94.3	Very high	6 Å²	6	27.1 Å²	27.1	6%	0.062	16%	0.159	C	C	.	.			trans	-86.9	-153.4	168.8	0	0	0	0	0	112.1	L495	G491-L495 PolarHBondContact N-O 2.94Å
492	P	89.7	Confident	94.6	Very high	66 Å²	66	25.1 Å²	25.1	43%	0.429	15%	0.147	S	C	.	.	S	Bend	trans	-71.8	138.1	175.5	30.4	-31.8	0	0	0	110.8	E494 L495	P492-E494 PolarHBondContact O-N 3.33Å; P492-L495 HydrophobicContact CG-CD2 4.39Å; P492-L495 WeakPolarHBondContact O-CB 3.34Å; P492-L495 PolarHBondContact O-N 2.62Å
493	G	87.8	Confident	94.8	Very high	57 Å²	57	23.4 Å²	23.4	59%	0.588	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	-126.1	-179.4	0	0	0	0	0	112.3	Q490	Q490-G493 PolarHBondContact NE2-O 3.35Å
494	E	87.7	Confident	94.9	Very high	124 Å²	124	23.2 Å²	23.2	58%	0.579	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	5.7	179.7	-59.7	-171.6	155.2	0	0	113.5	P492 L496 P510	P492-E494 PolarHBondContact O-N 3.33Å; E494-L496 PolarHBondContact O-N 2.86Å; E494-P510 HydrophobicContact CB-CG 4.49Å
495	L	92.5	Very high	95	Very high	33 Å²	33	21.9 Å²	21.9	17%	0.173	13%	0.129	C	C	.	.			trans	-62.7	123.5	179.4	-170.3	70.9	0	0	0	110.5	G491 P492 I497 Q507	G491-L495 PolarHBondContact N-O 2.94Å; P492-L495 HydrophobicContact CG-CD2 4.39Å; P492-L495 WeakPolarHBondContact O-CB 3.34Å; P492-L495 PolarHBondContact O-N 2.62Å; L495-I497 HydrophobicContact CD2-CD1 3.81Å; L495-I497 HydrophobicContact CD2-CG1 4.41Å; L495-I497 HydrophobicContact CG-CD1 4Å; L495-I497 HydrophobicContact CG-CG1 4.49Å; L495-Q507 HydrophobicContact CD1-CB 4.23Å
496	L	95.4	Very high	94.9	Very high	7 Å²	7	21.9 Å²	21.9	4%	0.037	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	135.5	170.3	-55.5	180	0	0	0	109.8	I453 F464 E494 Q507 A508 M512	I453-L496 HydrophobicContact CD1-CD1 3.58Å; I453-L496 HydrophobicContact CD1-CD2 3.57Å; I453-L496 HydrophobicContact CD1-CG 4.23Å; F464-L496 HydrophobicContact CE1-CD1 4.11Å; F464-L496 HydrophobicContact CZ-CD1 4.23Å; E494-L496 PolarHBondContact O-N 2.86Å; L496-Q507 CarbonylContact O-C 3.55Å; L496-Q507 WeakPolarHBondContact O-CA 3.21Å; L496-A508 HydrophobicContact CB-CB 4.33Å; L496-A508 PolarHBondContact N-O 3.29Å; L496-A508 PolarHBondContact O-N 2.97Å; L496-M512 HydrophobicContact CD1-CE 4.18Å; L496-M512 HydrophobicContact CD1-SD 3.79Å
497	I	96.8	Very high	94.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.9	175.6	-55.3	-66.8	0	0	0	108.2	L214 L222 I235 I488 T489 L495 I505 L506 Q507 L517	L214-I497 HydrophobicContact CD2-CG2 3.86Å; L214-I497 HydrophobicContact CG-CG2 4.3Å; L222-I497 HydrophobicContact CD1-CG2 3.93Å; L222-I497 HydrophobicContact CD2-CB 4.31Å; L222-I497 HydrophobicContact CD2-CG1 4.15Å; L222-I497 HydrophobicContact CD2-CG2 3.81Å; I235-I497 HydrophobicContact CD1-CD1 4.29Å; I488-I497 WeakPolarHBondContact CA-O 3.23Å; T489-I497 HydrophobicContact CG2-CB 3.83Å; T489-I497 HydrophobicContact CG2-CG2 4.27Å; T489-I497 PolarHBondContact N-O 2.9Å; T489-I497 PolarHBondContact O-N 3.07Å; L495-I497 HydrophobicContact CD2-CD1 3.81Å; L495-I497 HydrophobicContact CD2-CG1 4.41Å; L495-I497 HydrophobicContact CG-CD1 4Å; L495-I497 HydrophobicContact CG-CG1 4.49Å; I497-I505 HydrophobicContact CG2-CG2 3.67Å; I497-L506 WeakPolarHBondContact CA-O 3.26Å; I497-Q507 HydrophobicContact CD1-CB 3.8Å; I497-L517 HydrophobicContact CD1-CD1 3.8Å
498	I	97.6	Very high	94.7	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	115.6	-166.6	-53.2	157.9	0	0	0	109.3	L462 L478 V485 T487 I505 L506 A508	L462-I498 HydrophobicContact CD1-CD1 3.72Å; L462-I498 HydrophobicContact CD2-CD1 4.48Å; L478-I498 HydrophobicContact CD1-CG2 4.3Å; L478-I498 HydrophobicContact CD2-CD1 4.5Å; V485-I498 HydrophobicContact CG1-CG2 4.05Å; V485-I498 HydrophobicContact CG2-CG2 4.44Å; T487-I498 CarbonylContact O-C 3.25Å; T487-I498 WeakPolarHBondContact O-CA 3.4Å; I498-I505 CarbonylContact O-C 3.6Å; I498-I505 WeakPolarHBondContact O-CA 3.46Å; I498-L506 HydrophobicContact CB-CB 4.31Å; I498-L506 PolarHBondContact N-O 2.85Å; I498-L506 PolarHBondContact O-N 2.98Å; I498-A508 HydrophobicContact CD1-CB 4.47Å
499	G	97.9	Very high	94.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	136.3	168.2	0	0	0	0	0	110.4	Y205 R486 T487 M504	Y205-G499 VanDerWaalsContact CE1-CA 3.5Å; R486-G499 WeakPolarHBondContact CA-O 3.26Å; R486-G499 WeakPolarHBondContact CB-O 3.38Å; R486-G499 PolarHBondContact N-O 3.34Å; T487-G499 PolarHBondContact N-O 3.5Å; T487-G499 VanDerWaalsContact N-O 3.1Å; T487-G499 PolarHBondContact O-N 3.42Å; G499-M504 WeakPolarHBondContact CA-O 3.18Å
500	T	97.6	Very high	93.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	164.7	-175	82.2	0	0	0	0	113.9	G207 L478 Y482 S484 K502 N503 M504 L506	G207-T500 CarbonylContact C-O 3.55Å; G207-T500 VanDerWaalsContact CA-O 3.32Å; G207-T500 WeakPolarHBondContact CA-O 3.46Å; L478-T500 HydrophobicContact CD1-CG2 4.23Å; Y482-T500 WeakPolarHBondContact O-CB 3.41Å; Y482-T500 PolarHBondContact O-OG1 2.98Å; S484-T500 CarbonylContact O-C 3.58Å; S484-T500 WeakPolarHBondContact O-CA 3.47Å; S484-T500 WeakPolarHBondContact O-CB 3.42Å; T500-K502 PolarHBondContact O-N 2.87Å; T500-K502 PolarHBondContact OG1-N 3.29Å; T500-N503 PolarHBondContact O-N 3.33Å; T500-M504 HydrophobicContact CG2-CB 4.39Å; T500-M504 PolarHBondContact N-O 3.2Å; T500-M504 PolarHBondContact OG1-N 2.82Å; T500-L506 HydrophobicContact CG2-CD1 3.84Å; T500-L506 HydrophobicContact CG2-CG 3.92Å
501	T	95.8	Very high	92.7	Very high	29 Å²	29	28 Å²	28	18%	0.178	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-12.7	176.1	60.7	0	0	0	0	114.5	R208 S484 R486 N503	R208-T501 WeakPolarHBondContact CA-O 3.5Å; R208-T501 WeakPolarHBondContact CB-O 3.47Å; S484-T501 WeakPolarHBondContact CB-OG1 3.23Å; S484-T501 PolarHBondContact N-OG1 2.87Å; S484-T501 VanDerWaalsContact N-OG1 3.11Å; S484-T501 PolarHBondContact O-N 3.38Å; R486-T501 HydrophobicContact CB-CG2 4.29Å; T501-N503 VanDerWaalsContact C-N 3.3Å
502	K	95.5	Very high	92.5	Very high	40 Å²	40	28.6 Å²	28.6	17%	0.174	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	28.5	170.9	-73.2	-175.5	168.2	-179.7	0	112	E480 L481 T500 M504 F522	E480-K502 PolarHBondContact O-NZ 3.22Å; L481-K502 VanDerWaalsContact O-CD 3.23Å; L481-K502 WeakPolarHBondContact O-CD 3.45Å; T500-K502 PolarHBondContact O-N 2.87Å; T500-K502 PolarHBondContact OG1-N 3.29Å; K502-M504 PolarHBondContact O-N 2.89Å; K502-M504 VanDerWaalsContact O-N 3.14Å; K502-F522 HydrophobicContact CB-CD1 3.75Å; K502-F522 HydrophobicContact CB-CE1 4.13Å; K502-F522 HydrophobicContact CB-CG 4.23Å; K502-F522 HydrophobicContact CD-CD1 4.36Å; K502-F522 HydrophobicContact CD-CE1 3.87Å; K502-F522 HydrophobicContact CD-CZ 4.26Å; K502-F522 HydrophobicContact CG-CD1 3.85Å; K502-F522 HydrophobicContact CG-CE1 3.8Å; K502-F522 HydrophobicContact CG-CG 4.25Å; K502-F522 HydrophobicContact CG-CZ 4.17Å
503	N	96.8	Very high	92.5	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.011	20%	0.202	C	C	.	.	S	Bend	trans	59.1	25.3	174.3	-74.8	0.4	0	0	0	115.3	Y205 G207 R208 T500 T501 H521 F522 T831	Y205-N503 PolarHBondContact N-O 3.45Å; Y205-N503 WeakPolarHBondContact O-CA 3.27Å; Y205-N503 WeakPolarHBondContact O-CB 3.35Å; Y205-N503 PolarHBondContact O-OD1 2.87Å; Y205-N503 VanDerWaalsContact O-OD1 3.07Å; G207-N503 PolarHBondContact N-OD1 3.01Å; R208-N503 WeakPolarHBondContact CB-OD1 3.37Å; R208-N503 PolarHBondContact N-OD1 3.32Å; T500-N503 PolarHBondContact O-N 3.33Å; T501-N503 VanDerWaalsContact C-N 3.3Å; N503-H521 WeakPolarHBondContact CB-O 3.19Å; N503-H521 PolarHBondContact ND2-O 3.43Å; N503-F522 HydrophobicContact CB-CB 4.11Å; N503-T831 PolarHBondContact ND2-OG1 2.75Å; N503-T831 VanDerWaalsContact ND2-OG1 3.08Å
504	M	95.7	Very high	92.8	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.184	C	C	.	.			trans	-99	151.6	174.8	-56.6	-173.7	-172.1	0	0	111.4	Y205 L481 Y482 G499 T500 K502 L506 M518 F519	Y205-M504 WeakPolarHBondContact CD1-O 3.32Å; L481-M504 WeakPolarHBondContact O-CE 3.32Å; Y482-M504 HydrophobicContact CD1-SD 3.84Å; G499-M504 WeakPolarHBondContact CA-O 3.18Å; T500-M504 HydrophobicContact CG2-CB 4.39Å; T500-M504 PolarHBondContact N-O 3.2Å; T500-M504 PolarHBondContact OG1-N 2.82Å; K502-M504 PolarHBondContact O-N 2.89Å; K502-M504 VanDerWaalsContact O-N 3.14Å; M504-L506 HydrophobicContact CB-CD2 4.21Å; M504-M518 VanDerWaalsContact CA-O 3.25Å; M504-M518 WeakPolarHBondContact CA-O 2.85Å; M504-M518 WeakPolarHBondContact CB-O 3.43Å; M504-F519 HydrophobicContact CE-CD1 3.98Å; M504-F519 HydrophobicContact CE-CE1 4.25Å; M504-F519 HydrophobicContact SD-CD1 4.1Å; M504-F519 HydrophobicContact SD-CE1 4.22Å
505	I	97.3	Very high	93	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	127.4	161.9	-60	172.7	0	0	0	107.1	Y205 L214 L222 Y224 I497 I498 L517 M518	Y205-I505 HydrophobicContact CD1-CG1 3.9Å; Y205-I505 HydrophobicContact CD2-CD1 4.25Å; Y205-I505 HydrophobicContact CD2-CG1 4.29Å; Y205-I505 HydrophobicContact CG-CD1 4Å; Y205-I505 HydrophobicContact CG-CG1 3.68Å; L214-I505 HydrophobicContact CD1-CD1 3.89Å; L214-I505 HydrophobicContact CD2-CD1 4.46Å; L214-I505 HydrophobicContact CD2-CG1 4.2Å; L214-I505 HydrophobicContact CD2-CG2 4.11Å; L222-I505 HydrophobicContact CD1-CG2 4.38Å; Y224-I505 HydrophobicContact CD1-CD1 3.76Å; Y224-I505 HydrophobicContact CD2-CD1 4.17Å; Y224-I505 HydrophobicContact CE1-CD1 3.69Å; Y224-I505 HydrophobicContact CE2-CD1 4.1Å; Y224-I505 HydrophobicContact CG-CD1 4Å; I497-I505 HydrophobicContact CG2-CG2 3.67Å; I498-I505 CarbonylContact O-C 3.6Å; I498-I505 WeakPolarHBondContact O-CA 3.46Å; I505-L517 HydrophobicContact CG2-CB 4.24Å; I505-L517 HydrophobicContact CG2-CD1 4.4Å; I505-L517 PolarHBondContact O-N 3.36Å; I505-M518 HydrophobicContact CB-CB 3.96Å; I505-M518 HydrophobicContact CD1-CB 4.28Å; I505-M518 HydrophobicContact CG1-CB 4.25Å; I505-M518 PolarHBondContact N-O 2.88Å; I505-M518 PolarHBondContact O-N 3.17Å
506	L	96.1	Very high	93	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	154.6	174.6	-42.3	176.1	0	0	0	109.9	L478 Y482 I497 I498 T500 M504 I514 S515 P516	L478-L506 HydrophobicContact CD1-CD1 3.95Å; L478-L506 HydrophobicContact CD2-CD1 3.83Å; L478-L506 HydrophobicContact CG-CD1 4.49Å; Y482-L506 HydrophobicContact CD1-CD2 3.86Å; Y482-L506 HydrophobicContact CD2-CD1 3.69Å; Y482-L506 HydrophobicContact CD2-CD2 4.23Å; Y482-L506 HydrophobicContact CE1-CD2 4.18Å; Y482-L506 HydrophobicContact CE2-CD1 4.34Å; Y482-L506 HydrophobicContact CG-CD1 3.87Å; Y482-L506 HydrophobicContact CG-CD2 3.9Å; I497-L506 WeakPolarHBondContact CA-O 3.26Å; I498-L506 HydrophobicContact CB-CB 4.31Å; I498-L506 PolarHBondContact N-O 2.85Å; I498-L506 PolarHBondContact O-N 2.98Å; T500-L506 HydrophobicContact CG2-CD1 3.84Å; T500-L506 HydrophobicContact CG2-CG 3.92Å; M504-L506 HydrophobicContact CB-CD2 4.21Å; L506-I514 HydrophobicContact CB-CG2 3.94Å; L506-I514 HydrophobicContact CD1-CG2 3.73Å; L506-I514 HydrophobicContact CG-CG2 4.39Å; L506-S515 CarbonylContact C-O 3.4Å; L506-S515 VanDerWaalsContact CA-O 3.28Å; L506-S515 WeakPolarHBondContact CA-O 3.39Å; L506-P516 HydrophobicContact CD2-CB 4.06Å
507	Q	95.2	Very high	92.9	Very high	54 Å²	54	29.9 Å²	29.9	25%	0.252	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	146.6	162.7	63.3	-175.9	-11	0	0	110	L495 L496 I497 I514 S515 L517	L495-Q507 HydrophobicContact CD1-CB 4.23Å; L496-Q507 CarbonylContact O-C 3.55Å; L496-Q507 WeakPolarHBondContact O-CA 3.21Å; I497-Q507 HydrophobicContact CD1-CB 3.8Å; Q507-I514 WeakPolarHBondContact O-CA 3.11Å; Q507-S515 WeakPolarHBondContact CG-OG 3.44Å; Q507-S515 PolarHBondContact N-O 2.88Å; Q507-S515 PolarHBondContact NE2-OG 3.2Å; Q507-S515 VanDerWaalsContact NE2-OG 3.09Å; Q507-S515 PolarHBondContact O-N 3.26Å; Q507-L517 HydrophobicContact CB-CD1 3.8Å; Q507-L517 HydrophobicContact CB-CG 3.91Å; Q507-L517 HydrophobicContact CG-CD1 4.29Å; Q507-L517 HydrophobicContact CG-CD2 4.22Å; Q507-L517 HydrophobicContact CG-CG 3.87Å
508	A	94.5	Very high	92.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	115.5	168.1	0	0	0	0	0	108.9	L496 I498 M512 I514	L496-A508 HydrophobicContact CB-CB 4.33Å; L496-A508 PolarHBondContact N-O 3.29Å; L496-A508 PolarHBondContact O-N 2.97Å; I498-A508 HydrophobicContact CD1-CB 4.47Å; A508-M512 HydrophobicContact CB-CE 3.52Å; A508-M512 HydrophobicContact CB-SD 3.68Å; A508-I514 HydrophobicContact CB-CG1 3.99Å
509	G	86.9	Confident	92.3	Very high	18 Å²	18	32.2 Å²	32.2	19%	0.186	19%	0.19	C	C	.	.			trans	-74.7	-176.1	178	0	0	0	0	0	113.1	G511 M512	G509-G511 PolarHBondContact O-N 3.35Å; G509-M512 WeakPolarHBondContact O-CA 3.37Å; G509-M512 PolarHBondContact O-N 3.04Å
510	P	77.5	Confident	91.8	Very high	93 Å²	93	32.3 Å²	32.3	60%	0.604	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-28.8	-177.9	-28	35.8	0	0	0	115.1	E494 M512	E494-P510 HydrophobicContact CB-CG 4.49Å; P510-M512 VanDerWaalsContact C-N 3.32Å; P510-M512 PolarHBondContact O-N 3.3Å
511	G	81.4	Confident	91.8	Very high	58 Å²	58	32.4 Å²	32.4	60%	0.598	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-0.8	174.1	0	0	0	0	0	115.7	G509 E513	G509-G511 PolarHBondContact O-N 3.35Å; G511-E513 PolarHBondContact O-N 2.86Å
512	M	86.3	Confident	91.8	Very high	17 Å²	17	32.6 Å²	32.6	8%	0.084	19%	0.19	C	C	.	.			trans	56.1	30.1	-163.5	-69.7	-60.5	-59.7	0	0	114.5	L462 F464 E476 L496 A508 G509 P510 I514	L462-M512 HydrophobicContact CD1-CE 3.51Å; F464-M512 HydrophobicContact CZ-CE 4.06Å; F464-M512 HydrophobicContact CZ-CG 4.41Å; F464-M512 HydrophobicContact CZ-SD 4Å; E476-M512 HydrophobicContact CB-CE 4.23Å; E476-M512 HydrophobicContact CG-CB 4.14Å; E476-M512 HydrophobicContact CG-CE 3.94Å; E476-M512 HydrophobicContact CG-CG 4.02Å; L496-M512 HydrophobicContact CD1-CE 4.18Å; L496-M512 HydrophobicContact CD1-SD 3.79Å; A508-M512 HydrophobicContact CB-CE 3.52Å; A508-M512 HydrophobicContact CB-SD 3.68Å; G509-M512 WeakPolarHBondContact O-CA 3.37Å; G509-M512 PolarHBondContact O-N 3.04Å; P510-M512 VanDerWaalsContact C-N 3.32Å; P510-M512 PolarHBondContact O-N 3.3Å; M512-I514 HydrophobicContact CE-CD1 4.21Å; M512-I514 HydrophobicContact CE-CG1 4.45Å; M512-I514 WeakPolarHBondContact O-CG1 3.1Å; M512-I514 PolarHBondContact O-N 3.01Å; M512-I514 VanDerWaalsContact O-N 3.11Å
513	E	89.7	Confident	91.8	Very high	164 Å²	164	33.6 Å²	33.6	77%	0.766	20%	0.195	S	C	*	.			trans	-69.9	104.4	166.9	-66.9	-178.8	-178.9	0	0	109.3	G511	G511-E513 PolarHBondContact O-N 2.86Å
514	I	93.8	Very high	91.8	Very high	41 Å²	41	34.8 Å²	34.8	21%	0.21	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	121.2	-174.8	-49.8	-169.4	0	0	0	110.3	L478 Y482 L506 Q507 A508 M512	L478-I514 HydrophobicContact CD2-CD1 3.48Å; L478-I514 VanDerWaalsContact CD2-CD1 3.48Å; L478-I514 HydrophobicContact CD2-CG2 4.23Å; Y482-I514 HydrophobicContact CE2-CG2 4.17Å; L506-I514 HydrophobicContact CB-CG2 3.94Å; L506-I514 HydrophobicContact CD1-CG2 3.73Å; L506-I514 HydrophobicContact CG-CG2 4.39Å; Q507-I514 WeakPolarHBondContact O-CA 3.11Å; A508-I514 HydrophobicContact CB-CG1 3.99Å; M512-I514 HydrophobicContact CE-CD1 4.21Å; M512-I514 HydrophobicContact CE-CG1 4.45Å; M512-I514 WeakPolarHBondContact O-CG1 3.1Å; M512-I514 PolarHBondContact O-N 3.01Å; M512-I514 VanDerWaalsContact O-N 3.11Å
515	S	92.7	Very high	91.9	Very high	43 Å²	43	34.8 Å²	34.8	30%	0.301	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.7	176	55.6	0	0	0	0	111.8	L506 Q507	L506-S515 CarbonylContact C-O 3.4Å; L506-S515 VanDerWaalsContact CA-O 3.28Å; L506-S515 WeakPolarHBondContact CA-O 3.39Å; Q507-S515 WeakPolarHBondContact CG-OG 3.44Å; Q507-S515 PolarHBondContact N-O 2.88Å; Q507-S515 PolarHBondContact NE2-OG 3.2Å; Q507-S515 VanDerWaalsContact NE2-OG 3.09Å; Q507-S515 PolarHBondContact O-N 3.26Å
516	P	92.6	Very high	91.9	Very high	41 Å²	41	37.3 Å²	37.3	27%	0.266	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	127.2	176.5	30.1	-32	0	0	0	111.2	L506 F519	L506-P516 HydrophobicContact CD2-CB 4.06Å; P516-F519 HydrophobicContact CB-CD2 4.29Å; P516-F519 HydrophobicContact CB-CE1 4.33Å; P516-F519 HydrophobicContact CB-CE2 3.66Å; P516-F519 HydrophobicContact CB-CZ 3.7Å; P516-F519 HydrophobicContact CG-CE1 4.39Å; P516-F519 HydrophobicContact CG-CE2 3.53Å; P516-F519 HydrophobicContact CG-CZ 3.42Å; P516-F519 VanDerWaalsContact CG-CZ 3.42Å
517	L	92.5	Very high	92	Very high	25 Å²	25	37.3 Å²	37.3	13%	0.131	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-32.9	168.5	-79.9	179.2	0	0	0	112.5	L222 I235 I497 I505 Q507	L222-L517 HydrophobicContact CD1-CD1 4.14Å; I235-L517 HydrophobicContact CD1-CD1 3.85Å; I235-L517 HydrophobicContact CG1-CD1 4.34Å; I235-L517 HydrophobicContact CG2-CD2 3.97Å; I497-L517 HydrophobicContact CD1-CD1 3.8Å; I505-L517 HydrophobicContact CG2-CB 4.24Å; I505-L517 HydrophobicContact CG2-CD1 4.4Å; I505-L517 PolarHBondContact O-N 3.36Å; Q507-L517 HydrophobicContact CB-CD1 3.8Å; Q507-L517 HydrophobicContact CB-CG 3.91Å; Q507-L517 HydrophobicContact CG-CD1 4.29Å; Q507-L517 HydrophobicContact CG-CD2 4.22Å; Q507-L517 HydrophobicContact CG-CG 3.87Å
518	M	92.8	Very high	92.2	Very high	7 Å²	7	35.3 Å²	35.3	3%	0.034	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	131.5	179.4	-169.3	93.1	-49.3	0	0	110.5	W201 M504 I505	W201-M518 HydrophobicContact CZ2-CE 4.21Å; M504-M518 VanDerWaalsContact CA-O 3.25Å; M504-M518 WeakPolarHBondContact CA-O 2.85Å; M504-M518 WeakPolarHBondContact CB-O 3.43Å; I505-M518 HydrophobicContact CB-CB 3.96Å; I505-M518 HydrophobicContact CD1-CB 4.28Å; I505-M518 HydrophobicContact CG1-CB 4.25Å; I505-M518 PolarHBondContact N-O 2.88Å; I505-M518 PolarHBondContact O-N 3.17Å
519	F	89.8	Confident	92.4	Very high	42 Å²	42	35.9 Å²	35.9	18%	0.184	21%	0.206	C	C	.	.			trans	-100.7	157.8	167.8	-71.4	-90.9	0	0	0	110.6	G204 M504 P516 W549 A556	G204-F519 WeakPolarHBondContact CA-O 3.47Å; G204-F519 PolarHBondContact N-O 2.94Å; G204-F519 VanDerWaalsContact N-O 3.09Å; M504-F519 HydrophobicContact CE-CD1 3.98Å; M504-F519 HydrophobicContact CE-CE1 4.25Å; M504-F519 HydrophobicContact SD-CD1 4.1Å; M504-F519 HydrophobicContact SD-CE1 4.22Å; P516-F519 HydrophobicContact CB-CD2 4.29Å; P516-F519 HydrophobicContact CB-CE1 4.33Å; P516-F519 HydrophobicContact CB-CE2 3.66Å; P516-F519 HydrophobicContact CB-CZ 3.7Å; P516-F519 HydrophobicContact CG-CE1 4.39Å; P516-F519 HydrophobicContact CG-CE2 3.53Å; P516-F519 HydrophobicContact CG-CZ 3.42Å; P516-F519 VanDerWaalsContact CG-CZ 3.42Å; F519-W549 HydrophobicContact CB-CH2 3.8Å; F519-W549 HydrophobicContact CB-CZ3 3.93Å; F519-A556 HydrophobicContact CB-CB 4.43Å; F519-A556 HydrophobicContact CD2-CB 3.81Å; F519-A556 HydrophobicContact CE2-CB 4.22Å; F519-A556 HydrophobicContact CG-CB 4.16Å
520	G	87.6	Confident	92.9	Very high	3 Å²	3	38 Å²	38	3%	0.031	21%	0.21	C	C	.	.			trans	-162.2	163.6	169.9	0	0	0	0	0	110.7
521	H	96.7	Very high	93.8	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.186	C	C	.	.			trans	-70	154.6	163.1	-77.2	-76	0	0	0	109.7	N503 F525 T539 D543 T831	N503-H521 WeakPolarHBondContact CB-O 3.19Å; N503-H521 PolarHBondContact ND2-O 3.43Å; H521-F525 HydrophobicContact CB-CD1 3.85Å; H521-F525 HydrophobicContact CB-CE1 4.22Å; H521-F525 HydrophobicContact CB-CG 4.18Å; H521-F525 AromaticContact CD2-CD2 3.59Å; H521-F525 AromaticContact CD2-CE2 3.77Å; H521-F525 AromaticContact CD2-CG 3.79Å; H521-F525 AromaticContact CG-CG 3.89Å; H521-F525 AromaticContact NE2-CD2 3.95Å; H521-T539 WeakPolarHBondContact NE2-CB 3.4Å; H521-T539 PolarHBondContact NE2-OG1 3.37Å; H521-D543 WeakPolarHBondContact CA-OD2 3.32Å; H521-D543 WeakPolarHBondContact CB-OD2 3.3Å; H521-D543 IonicContact CE1-OD1 2.77Å; H521-D543 IonicContact CG-OD2 2.75Å; H521-D543 VanDerWaalsContact ND1-CG 3.29Å; H521-D543 IonicContact ND1-OD1 3.45Å; H521-D543 PolarHBondContact ND1-OD1 3.42Å; H521-D543 IonicContact ND1-OD2 2.92Å; H521-D543 PolarHBondContact ND1-OD2 3.25Å; H521-T831 WeakPolarHBondContact O-CB 3.44Å
522	F	95.6	Very high	94.4	Very high	34 Å²	34	34 Å²	34	15%	0.149	17%	0.171	C	C	.	.	S	Bend	trans	-122.8	-1.5	176.6	64.6	-96.1	0	0	0	114.3	R208 K502 N503 D543 L545	R208-F522 WeakPolarHBondContact CD-O 3.44Å; R208-F522 PolarHBondContact NH1-O 3.36Å; K502-F522 HydrophobicContact CB-CD1 3.75Å; K502-F522 HydrophobicContact CB-CE1 4.13Å; K502-F522 HydrophobicContact CB-CG 4.23Å; K502-F522 HydrophobicContact CD-CD1 4.36Å; K502-F522 HydrophobicContact CD-CE1 3.87Å; K502-F522 HydrophobicContact CD-CZ 4.26Å; K502-F522 HydrophobicContact CG-CD1 3.85Å; K502-F522 HydrophobicContact CG-CE1 3.8Å; K502-F522 HydrophobicContact CG-CG 4.25Å; K502-F522 HydrophobicContact CG-CZ 4.17Å; N503-F522 HydrophobicContact CB-CB 4.11Å; F522-D543 HydrophobicContact CD1-CB 3.98Å; F522-D543 HydrophobicContact CD2-CB 3.98Å; F522-D543 HydrophobicContact CE1-CB 3.71Å; F522-D543 HydrophobicContact CE2-CB 3.7Å; F522-D543 HydrophobicContact CG-CB 4.11Å; F522-D543 HydrophobicContact CZ-CB 3.56Å; F522-D543 PolarHBondContact N-OD2 2.63Å; F522-L545 HydrophobicContact CD1-CD1 4.29Å; F522-L545 HydrophobicContact CE1-CD1 3.94Å; F522-L545 HydrophobicContact CE1-CG 4.42Å
523	E	96.8	Very high	94.7	Very high	60 Å²	60	38.5 Å²	38.5	28%	0.28	19%	0.192	S	C	.	.	S	Bend	trans	-124.4	174	166.6	-68.9	-72.4	176.5	0	0	110.5	R208 R542 D543	R208-E523 VanDerWaalsContact CZ-CD 3.43Å; R208-E523 IonicContact CZ-OE1 2.64Å; R208-E523 IonicContact CZ-OE2 3.45Å; R208-E523 IonicContact NH1-OE1 3.26Å; R208-E523 PolarHBondContact NH1-OE1 2.87Å; R208-E523 IonicContact NH1-OE2 3.74Å; R208-E523 PolarHBondContact NH1-OE2 3.36Å; R208-E523 VanDerWaalsContact NH2-CD 3.26Å; R208-E523 IonicContact NH2-OE1 3.33Å; R208-E523 PolarHBondContact NH2-OE1 2.66Å; R208-E523 IonicContact NH2-OE2 3.79Å; R208-E523 PolarHBondContact NH2-OE2 2.77Å; E523-R542 HydrophobicContact CB-CB 3.96Å; E523-D543 HydrophobicContact CB-CB 3.83Å; E523-D543 HydrophobicContact CG-CB 3.91Å
524	E	96.8	Very high	94.9	Very high	27 Å²	27	31.9 Å²	31.9	13%	0.126	17%	0.166	C	C	.	.			trans	-59.4	134.5	172.6	178.5	179.5	-175.7	0	0	112.2	W526 R542 K829	E524-W526 PolarHBondContact OE1-NE1 2.86Å; E524-R542 VanDerWaalsContact O-CB 3.27Å; E524-R542 WeakPolarHBondContact O-CB 3.36Å; E524-R542 WeakPolarHBondContact O-CG 3.31Å; E524-R542 PolarHBondContact O-N 3.08Å; E524-R542 IonicContact OE2-CZ 2.89Å; E524-R542 IonicContact OE2-NH1 2.7Å; E524-R542 PolarHBondContact OE2-NH1 2.77Å; E524-K829 HydrophobicContact CB-CG 3.87Å; E524-K829 HydrophobicContact CG-CG 3.74Å; E524-K829 WeakPolarHBondContact OE2-CE 3.22Å
525	F	97.4	Very high	95.1	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	145.1	-175.9	76.2	-73.8	0	0	0	112.8	H521 T539 G541 T812 T826 G828 A832 V833	H521-F525 HydrophobicContact CB-CD1 3.85Å; H521-F525 HydrophobicContact CB-CE1 4.22Å; H521-F525 HydrophobicContact CB-CG 4.18Å; H521-F525 AromaticContact CD2-CD2 3.59Å; H521-F525 AromaticContact CD2-CE2 3.77Å; H521-F525 AromaticContact CD2-CG 3.79Å; H521-F525 AromaticContact CG-CG 3.89Å; H521-F525 AromaticContact NE2-CD2 3.95Å; F525-T539 HydrophobicContact CE2-CG2 4.22Å; F525-G541 VanDerWaalsContact CB-CA 3.4Å; F525-T812 PolarHBondContact O-OG1 3.16Å; F525-T826 HydrophobicContact CD2-CG2 4.32Å; F525-T826 HydrophobicContact CE2-CG2 3.41Å; F525-T826 VanDerWaalsContact CE2-CG2 3.41Å; F525-T826 HydrophobicContact CZ-CG2 3.92Å; F525-G828 WeakPolarHBondContact CD1-O 3.38Å; F525-G828 VanDerWaalsContact O-CA 3.31Å; F525-G828 WeakPolarHBondContact O-CA 3.33Å; F525-A832 WeakPolarHBondContact CZ-O 3.44Å; F525-V833 HydrophobicContact CE2-CG2 3.78Å; F525-V833 HydrophobicContact CZ-CG2 3.59Å
526	W	97.7	Very high	95.3	Very high	54 Å²	54	31.5 Å²	31.5	21%	0.205	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	-20.4	-172.2	-75.1	77	0	0	0	112.9	E524 L528 H567 N767 T812 N813	E524-W526 PolarHBondContact OE1-NE1 2.86Å; W526-L528 PolarHBondContact O-N 3.46Å; W526-H567 CarbonylContact C-O 3.58Å; W526-H567 VanDerWaalsContact C-O 3.31Å; W526-H567 VanDerWaalsContact CB-CE1 3.47Å; W526-H567 WeakPolarHBondContact CB-CE1 3.4Å; W526-H567 AromaticContact CD1-CE1 3.95Å; W526-H567 AromaticContact CD2-CE1 3.81Å; W526-H567 AromaticContact CG-CE1 3.45Å; W526-H567 VanDerWaalsContact CG-CE1 3.45Å; W526-H567 AromaticContact CG-ND1 3.88Å; W526-N767 HydrophobicContact CZ3-CB 4.39Å; W526-T812 HydrophobicContact CD2-CG2 3.54Å; W526-T812 VanDerWaalsContact CE2-CG2 3.42Å; W526-T812 HydrophobicContact CE3-CG2 3.85Å; W526-T812 HydrophobicContact CG-CG2 4.07Å; W526-T812 HydrophobicContact CH2-CG2 3.94Å; W526-T812 HydrophobicContact CZ2-CG2 3.64Å; W526-T812 HydrophobicContact CZ3-CG2 4.03Å; W526-N813 PolarHBondContact O-ND2 3.06Å
527	S	98.4	Very high	95.6	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	125.9	-177.6	-170.3	0	0	0	0	110.6	T539 G540 H567 C568 A569	S527-T539 VanDerWaalsContact O-CA 3.25Å; S527-T539 WeakPolarHBondContact O-CA 3.43Å; S527-G540 WeakPolarHBondContact CB-O 3.35Å; S527-G540 PolarHBondContact N-O 3Å; S527-G540 PolarHBondContact O-N 2.75Å; S527-H567 VanDerWaalsContact CA-O 3.28Å; S527-H567 WeakPolarHBondContact CA-O 2.99Å; S527-H567 WeakPolarHBondContact CB-O 3.48Å; S527-H567 PolarHBondContact N-O 2.85Å; S527-C568 WeakPolarHBondContact OG-CA 3.23Å; S527-A569 WeakPolarHBondContact OG-CB 3.4Å; S527-A569 PolarHBondContact OG-N 2.71Å; S527-A569 VanDerWaalsContact OG-N 3.14Å
528	L	98.6	Very high	95.9	Very high	12 Å²	12	28.4 Å²	28.4	6%	0.063	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	126.8	173.1	176.9	66.4	0	0	0	107.9	W526 F537 I538 T539 N813 T815 I824 T826	W526-L528 PolarHBondContact O-N 3.46Å; L528-F537 HydrophobicContact CD1-CD2 3.98Å; L528-I538 WeakPolarHBondContact CA-O 3.19Å; L528-T539 HydrophobicContact CD1-CG2 3.96Å; L528-N813 HydrophobicContact CB-CB 3.93Å; L528-N813 HydrophobicContact CD2-CB 4Å; L528-T815 HydrophobicContact CD1-CG2 4.4Å; L528-T815 HydrophobicContact CD2-CG2 3.76Å; L528-T815 HydrophobicContact CG-CG2 3.87Å; L528-I824 HydrophobicContact CD1-CB 4.37Å; L528-I824 HydrophobicContact CD1-CG2 3.76Å; L528-I824 HydrophobicContact CD2-CB 4.48Å; L528-I824 HydrophobicContact CD2-CG2 4.33Å; L528-T826 HydrophobicContact CB-CG2 4.15Å; L528-T826 HydrophobicContact CD1-CG2 4.14Å; L528-T826 HydrophobicContact CD2-CG2 4.1Å; L528-T826 HydrophobicContact CG-CG2 4.35Å
529	A	98.5	Very high	96.1	Very high	11 Å²	11	28.1 Å²	28.1	9%	0.091	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	139.9	169	0	0	0	0	0	111.7	F537 I538 A569 F571	A529-F537 CarbonylContact O-C 3.24Å; A529-F537 VanDerWaalsContact O-CA 3.26Å; A529-F537 WeakPolarHBondContact O-CA 3.47Å; A529-F537 WeakPolarHBondContact O-CB 3.37Å; A529-I538 HydrophobicContact CB-CG2 3.88Å; A529-I538 PolarHBondContact N-O 2.82Å; A529-I538 PolarHBondContact O-N 3.13Å; A529-A569 HydrophobicContact CB-CB 4.18Å; A529-F571 HydrophobicContact CB-CD2 4.07Å; A529-F571 HydrophobicContact CB-CE2 4.3Å
530	K	97.2	Very high	96.5	Very high	63 Å²	63	26.1 Å²	26.1	27%	0.274	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	138.7	176.2	59.7	-169.3	167.6	-160.2	0	112.1	F571 D770 T815 F816	K530-F571 WeakPolarHBondContact O-CD2 3.36Å; K530-D770 IonicContact NZ-OD1 3.76Å; K530-D770 IonicContact NZ-OD2 2.75Å; K530-D770 PolarHBondContact NZ-OD2 3.03Å; K530-T815 HydrophobicContact CB-CG2 4.11Å; K530-T815 WeakPolarHBondContact CD-OG1 3.47Å; K530-T815 PolarHBondContact NZ-OG1 2.93Å; K530-F816 WeakPolarHBondContact CD-O 3.35Å; K530-F816 WeakPolarHBondContact CE-O 3.42Å; K530-F816 PolarHBondContact NZ-O 2.61Å
531	H	96.6	Very high	97	Very high	23 Å²	23	26 Å²	26	11%	0.106	13%	0.128	C	C	.	.			trans	-64.7	137.1	168.8	-174.5	-88.1	0	0	0	109.6	Q533 A534 Q536 F571 L620	H531-Q533 VanDerWaalsContact C-N 3.31Å; H531-Q533 PolarHBondContact ND1-N 3.06Å; H531-Q533 PolarHBondContact O-N 3.08Å; H531-A534 VanDerWaalsContact ND1-CB 3.27Å; H531-A534 WeakPolarHBondContact ND1-CB 3.46Å; H531-A534 PolarHBondContact ND1-N 2.98Å; H531-Q536 HydrophobicContact CB-CB 3.7Å; H531-Q536 WeakPolarHBondContact CB-O 3.27Å; H531-Q536 PolarHBondContact N-O 2.81Å; H531-F571 HydrophobicContact CB-CE2 4.46Å; H531-L620 VanDerWaalsContact NE2-CD1 3.31Å; H531-L620 WeakPolarHBondContact NE2-CD1 3.29Å
532	P	93.7	Very high	97	Very high	43 Å²	43	30.5 Å²	30.5	28%	0.279	15%	0.145	S	C	.	.	S	Bend	trans	-74.7	-15.7	-169	27.8	-35.9	0	0	0	115	F571 P574	P532-F571 HydrophobicContact CG-CB 4.47Å; P532-P574 HydrophobicContact CB-CG 4.26Å
533	Q	93	Very high	97	Very high	112 Å²	112	29.1 Å²	29.1	52%	0.523	14%	0.139	S	C	.	.	S	Bend	trans	-141.1	10.8	-171.2	-60.1	-174.8	-56.7	0	0	114.7	H531 P574	H531-Q533 VanDerWaalsContact C-N 3.31Å; H531-Q533 PolarHBondContact ND1-N 3.06Å; H531-Q533 PolarHBondContact O-N 3.08Å; Q533-P574 HydrophobicContact CG-CB 4.24Å; Q533-P574 HydrophobicContact CG-CG 3.85Å
534	A	94.9	Very high	97	Very high	25 Å²	25	29.6 Å²	29.6	21%	0.207	14%	0.141	C	C	.	.	S	Bend	trans	-153.5	161.3	-175.7	0	0	0	0	0	110.3	H531 Q536 Y818	H531-A534 VanDerWaalsContact ND1-CB 3.27Å; H531-A534 WeakPolarHBondContact ND1-CB 3.46Å; H531-A534 PolarHBondContact ND1-N 2.98Å; A534-Q536 PolarHBondContact O-N 3.33Å; A534-Y818 VanDerWaalsContact CA-CE1 3.46Å; A534-Y818 WeakPolarHBondContact O-CD1 3.32Å
535	H	96.8	Very high	96.9	Very high	34 Å²	34	28.6 Å²	28.6	16%	0.157	14%	0.137	C	C	.	.	S	Bend	trans	-73.4	46.8	178.8	-58.5	88.6	0	0	0	112.8	S551 L552 L817 Y818 D819	H535-S551 WeakPolarHBondContact O-CA 3.31Å; H535-S551 WeakPolarHBondContact O-CB 3.16Å; H535-S551 PolarHBondContact O-N 3.48Å; H535-L552 HydrophobicContact CB-CD1 4.08Å; H535-L552 HydrophobicContact CB-CD2 4.14Å; H535-L552 HydrophobicContact CB-CG 3.66Å; H535-L817 HydrophobicContact CB-CD1 4.37Å; H535-Y818 AromaticContact CD2-CE1 3.87Å; H535-Y818 AromaticContact CE1-CE1 3.57Å; H535-Y818 AromaticContact CE1-CZ 3.77Å; H535-Y818 PolarHBondContact CE1-OH 3.01Å; H535-Y818 AromaticContact CG-CE1 3.88Å; H535-Y818 AromaticContact ND1-CE1 3.71Å; H535-Y818 AromaticContact NE2-CE1 3.66Å; H535-D819 IonicContact CD2-OD1 2.79Å; H535-D819 IonicContact CD2-OD2 3.85Å; H535-D819 IonicContact CE1-OD2 3.21Å; H535-D819 IonicContact NE2-OD1 2.81Å; H535-D819 IonicContact NE2-OD2 2.67Å; H535-D819 PolarHBondContact NE2-OD2 3Å
536	Q	97.5	Very high	96.9	Very high	42 Å²	42	28.6 Å²	28.6	20%	0.196	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	154	-179.1	-67.3	175.7	7.7	0	0	110.1	H531 A534 W549 D550 I557	H531-Q536 HydrophobicContact CB-CB 3.7Å; H531-Q536 WeakPolarHBondContact CB-O 3.27Å; H531-Q536 PolarHBondContact N-O 2.81Å; A534-Q536 PolarHBondContact O-N 3.33Å; Q536-W549 WeakPolarHBondContact CA-O 3.42Å; Q536-W549 WeakPolarHBondContact CB-O 3.11Å; Q536-D550 HydrophobicContact CG-CB 4.43Å; Q536-I557 HydrophobicContact CG-CD1 3.97Å; Q536-I557 VanDerWaalsContact NE2-CD1 3.33Å
537	F	98.2	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	156.5	173.9	61.4	-87.1	0	0	0	109.5	Y203 L528 A529 T539 W549 L817 I824 V833	Y203-F537 HydrophobicContact CD2-CZ 4.34Å; Y203-F537 HydrophobicContact CE2-CE1 4.4Å; Y203-F537 AromaticContact CE2-CZ 3.77Å; Y203-F537 HydrophobicContact CE2-CZ 3.77Å; Y203-F537 AromaticContact CZ-CZ 3.97Å; L528-F537 HydrophobicContact CD1-CD2 3.98Å; A529-F537 CarbonylContact O-C 3.24Å; A529-F537 VanDerWaalsContact O-CA 3.26Å; A529-F537 WeakPolarHBondContact O-CA 3.47Å; A529-F537 WeakPolarHBondContact O-CB 3.37Å; F537-T539 HydrophobicContact CD2-CG2 4.15Å; F537-T539 HydrophobicContact CE2-CG2 4.21Å; F537-W549 HydrophobicContact CD1-CB 4.16Å; F537-W549 HydrophobicContact CD2-CB 4.07Å; F537-W549 AromaticContact CD2-CD1 3.57Å; F537-W549 HydrophobicContact CD2-CG 4.06Å; F537-W549 HydrophobicContact CE1-CB 3.74Å; F537-W549 HydrophobicContact CE1-CG 4.45Å; F537-W549 HydrophobicContact CE2-CB 3.63Å; F537-W549 AromaticContact CE2-CD1 3.23Å; F537-W549 HydrophobicContact CE2-CD2 4.3Å; F537-W549 AromaticContact CE2-CG 3.46Å; F537-W549 HydrophobicContact CE2-CG 3.46Å; F537-W549 VanDerWaalsContact CE2-CG 3.46Å; F537-W549 AromaticContact CE2-NE1 3.91Å; F537-W549 HydrophobicContact CG-CB 4.32Å; F537-W549 HydrophobicContact CZ-CB 3.45Å; F537-W549 VanDerWaalsContact CZ-CB 3.45Å; F537-W549 AromaticContact CZ-CD1 3.96Å; F537-W549 HydrophobicContact CZ-CD2 4.45Å; F537-W549 AromaticContact CZ-CG 3.69Å; F537-W549 HydrophobicContact CZ-CG 3.69Å; F537-W549 PolarHBondContact N-O 3.47Å; F537-W549 VanDerWaalsContact N-O 3.13Å; F537-W549 PolarHBondContact O-N 3.26Å; F537-L817 HydrophobicContact CB-CD2 4.31Å; F537-L817 HydrophobicContact CD1-CD2 4.22Å; F537-I824 HydrophobicContact CD1-CD1 3.86Å; F537-I824 HydrophobicContact CD1-CG1 3.82Å; F537-I824 HydrophobicContact CD2-CG2 4.05Å; F537-I824 HydrophobicContact CE1-CD1 3.6Å; F537-I824 HydrophobicContact CE1-CG1 4.04Å; F537-I824 HydrophobicContact CE2-CG2 3.94Å; F537-I824 HydrophobicContact CG-CG1 4.1Å; F537-I824 HydrophobicContact CG-CG2 4.42Å; F537-I824 HydrophobicContact CZ-CD1 4.09Å; F537-I824 HydrophobicContact CZ-CG1 4.5Å; F537-I824 HydrophobicContact CZ-CG2 4.22Å; F537-V833 HydrophobicContact CE2-CG1 3.93Å; F537-V833 HydrophobicContact CZ-CG1 4.27Å
538	I	98.3	Very high	96.8	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.8	-179.9	-157.8	174.3	0	0	0	109.3	L528 A529 V546 I547 L548 W558 A569 F571 V622	L528-I538 WeakPolarHBondContact CA-O 3.19Å; A529-I538 HydrophobicContact CB-CG2 3.88Å; A529-I538 PolarHBondContact N-O 2.82Å; A529-I538 PolarHBondContact O-N 3.13Å; I538-V546 HydrophobicContact CD1-CG1 3.47Å; I538-V546 VanDerWaalsContact CD1-CG1 3.47Å; I538-V546 HydrophobicContact CG1-CG1 3.63Å; I538-I547 VanDerWaalsContact CA-O 3.32Å; I538-I547 WeakPolarHBondContact CA-O 3.39Å; I538-I547 WeakPolarHBondContact CG1-O 3.47Å; I538-L548 HydrophobicContact CB-CD1 4.17Å; I538-L548 HydrophobicContact CG1-CD1 4.4Å; I538-W558 HydrophobicContact CD1-CH2 4.01Å; I538-W558 HydrophobicContact CD1-CZ2 4.46Å; I538-A569 HydrophobicContact CG2-CB 4.27Å; I538-F571 HydrophobicContact CB-CE2 4Å; I538-F571 HydrophobicContact CB-CZ 3.91Å; I538-F571 HydrophobicContact CD1-CZ 4.46Å; I538-F571 HydrophobicContact CG2-CD2 4.47Å; I538-F571 HydrophobicContact CG2-CE2 3.6Å; I538-F571 HydrophobicContact CG2-CZ 3.91Å; I538-V622 HydrophobicContact CD1-CG1 4.06Å; I538-V622 HydrophobicContact CD1-CG2 4.27Å; I538-V622 HydrophobicContact CG2-CG2 4.32Å
539	T	98.6	Very high	96.7	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	157.1	171.8	61.3	0	0	0	0	111	H521 F525 S527 L528 F537 V546 I547 W549 T826 V833	H521-T539 WeakPolarHBondContact NE2-CB 3.4Å; H521-T539 PolarHBondContact NE2-OG1 3.37Å; F525-T539 HydrophobicContact CE2-CG2 4.22Å; S527-T539 VanDerWaalsContact O-CA 3.25Å; S527-T539 WeakPolarHBondContact O-CA 3.43Å; L528-T539 HydrophobicContact CD1-CG2 3.96Å; F537-T539 HydrophobicContact CD2-CG2 4.15Å; F537-T539 HydrophobicContact CE2-CG2 4.21Å; T539-V546 VanDerWaalsContact O-CA 3.32Å; T539-V546 WeakPolarHBondContact O-CA 3.39Å; T539-I547 PolarHBondContact N-O 3.34Å; T539-I547 PolarHBondContact O-N 2.69Å; T539-W549 PolarHBondContact OG1-NE1 3.5Å; T539-T826 HydrophobicContact CG2-CG2 4.36Å; T539-V833 HydrophobicContact CG2-CG2 4.18Å
540	G	97.8	Very high	96.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	145.7	177.5	0	0	0	0	0	112.8	S527 L545 I566	S527-G540 WeakPolarHBondContact CB-O 3.35Å; S527-G540 PolarHBondContact N-O 3Å; S527-G540 PolarHBondContact O-N 2.75Å; G540-L545 VanDerWaalsContact CA-O 3.28Å; G540-L545 WeakPolarHBondContact CA-O 3.5Å; G540-I566 CarbonylContact C-O 3.54Å
541	G	97.2	Very high	96.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	-173.1	-168.5	0	0	0	0	0	117.1	F525 D543 H544 L545 I566	F525-G541 VanDerWaalsContact CB-CA 3.4Å; G541-D543 PolarHBondContact O-N 3.44Å; G541-H544 PolarHBondContact O-N 2.59Å; G541-L545 PolarHBondContact N-O 2.88Å; G541-I566 WeakPolarHBondContact CA-O 3.44Å; G541-I566 PolarHBondContact N-O 2.9Å; G541-I566 PolarHBondContact O-N 3.09Å; G541-I566 VanDerWaalsContact O-N 3.16Å
542	R	97.3	Very high	96.6	Very high	96 Å²	96	27.2 Å²	27.2	36%	0.362	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-7.6	175.3	-68	178.7	171.1	-177.3	-11.1	114.2	N24 E523 E524 H544 A565	N24-R542 PolarHBondContact OD1-NH2 3.29Å; E523-R542 HydrophobicContact CB-CB 3.96Å; E524-R542 VanDerWaalsContact O-CB 3.27Å; E524-R542 WeakPolarHBondContact O-CB 3.36Å; E524-R542 WeakPolarHBondContact O-CG 3.31Å; E524-R542 PolarHBondContact O-N 3.08Å; E524-R542 IonicContact OE2-CZ 2.89Å; E524-R542 IonicContact OE2-NH1 2.7Å; E524-R542 PolarHBondContact OE2-NH1 2.77Å; R542-H544 PolarHBondContact O-CD2 3.35Å; R542-H544 PolarHBondContact O-N 3.35Å; R542-A565 HydrophobicContact CG-CB 4.36Å
543	D	95.6	Very high	96.7	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.027	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	8.4	168.9	52.8	8.9	0	0	0	112.4	H521 F522 E523 G541 L545	H521-D543 WeakPolarHBondContact CA-OD2 3.32Å; H521-D543 WeakPolarHBondContact CB-OD2 3.3Å; H521-D543 IonicContact CE1-OD1 2.77Å; H521-D543 IonicContact CG-OD2 2.75Å; H521-D543 VanDerWaalsContact ND1-CG 3.29Å; H521-D543 IonicContact ND1-OD1 3.45Å; H521-D543 PolarHBondContact ND1-OD1 3.42Å; H521-D543 IonicContact ND1-OD2 2.92Å; H521-D543 PolarHBondContact ND1-OD2 3.25Å; F522-D543 HydrophobicContact CD1-CB 3.98Å; F522-D543 HydrophobicContact CD2-CB 3.98Å; F522-D543 HydrophobicContact CE1-CB 3.71Å; F522-D543 HydrophobicContact CE2-CB 3.7Å; F522-D543 HydrophobicContact CG-CB 4.11Å; F522-D543 HydrophobicContact CZ-CB 3.56Å; F522-D543 PolarHBondContact N-OD2 2.63Å; E523-D543 HydrophobicContact CB-CB 3.83Å; E523-D543 HydrophobicContact CG-CB 3.91Å; G541-D543 PolarHBondContact O-N 3.44Å; D543-L545 PolarHBondContact O-N 3.37Å; D543-L545 PolarHBondContact OD1-N 3.31Å
544	H	96.2	Very high	96.8	Very high	70 Å²	70	23.5 Å²	23.5	32%	0.324	12%	0.12	S	C	.	.	S	Bend	trans	63.6	4.2	-179.5	-58.4	-102.4	0	0	0	114.4	G541 R542 E561 F562 T563	G541-H544 PolarHBondContact O-N 2.59Å; R542-H544 PolarHBondContact O-CD2 3.35Å; R542-H544 PolarHBondContact O-N 3.35Å; H544-E561 HydrophobicContact CB-CG 4.1Å; H544-E561 CarbonylContact O-C 3.59Å; H544-E561 WeakPolarHBondContact O-CA 3.37Å; H544-F562 WeakPolarHBondContact CB-O 3.21Å; H544-F562 PolarHBondContact ND1-O 3.34Å; H544-F562 PolarHBondContact O-N 3.21Å; H544-T563 PolarHBondContact CE1-O 3.2Å; H544-T563 PolarHBondContact ND1-O 2.72Å
545	L	95.8	Very high	96.6	Very high	6 Å²	6	27.7 Å²	27.7	3%	0.031	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	141.4	177.3	-62.4	-177.1	0	0	0	110.7	F522 G540 G541 D543 I547 E561	F522-L545 HydrophobicContact CD1-CD1 4.29Å; F522-L545 HydrophobicContact CE1-CD1 3.94Å; F522-L545 HydrophobicContact CE1-CG 4.42Å; G540-L545 VanDerWaalsContact CA-O 3.28Å; G540-L545 WeakPolarHBondContact CA-O 3.5Å; G541-L545 PolarHBondContact N-O 2.88Å; D543-L545 PolarHBondContact O-N 3.37Å; D543-L545 PolarHBondContact OD1-N 3.31Å; L545-I547 HydrophobicContact CB-CD1 4.49Å; L545-I547 HydrophobicContact CB-CG1 4.27Å; L545-I547 HydrophobicContact CD1-CD1 4.4Å; L545-E561 HydrophobicContact CD2-CB 4.13Å; L545-E561 HydrophobicContact CD2-CG 4.4Å
546	V	97.2	Very high	96.5	Very high	1 Å²	1	27 Å²	27	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.7	158.6	-179.9	0	0	0	0	107.2	I538 T539 W558 S559 K560 F562 I566 L624	I538-V546 HydrophobicContact CD1-CG1 3.47Å; I538-V546 VanDerWaalsContact CD1-CG1 3.47Å; I538-V546 HydrophobicContact CG1-CG1 3.63Å; T539-V546 VanDerWaalsContact O-CA 3.32Å; T539-V546 WeakPolarHBondContact O-CA 3.39Å; V546-W558 HydrophobicContact CB-CZ3 4.26Å; V546-W558 HydrophobicContact CG1-CH2 3.93Å; V546-W558 HydrophobicContact CG1-CZ3 3.96Å; V546-W558 WeakPolarHBondContact O-CZ3 3.47Å; V546-S559 WeakPolarHBondContact O-CA 3.27Å; V546-K560 PolarHBondContact N-O 3.01Å; V546-K560 PolarHBondContact O-N 3.37Å; V546-F562 HydrophobicContact CB-CD2 4.11Å; V546-F562 HydrophobicContact CB-CE2 3.74Å; V546-F562 HydrophobicContact CG2-CD2 3.58Å; V546-F562 HydrophobicContact CG2-CE2 3.55Å; V546-F562 HydrophobicContact CG2-CG 4.46Å; V546-F562 HydrophobicContact CG2-CZ 4.38Å; V546-I566 HydrophobicContact CG2-CB 4.34Å; V546-I566 HydrophobicContact CG2-CG1 3.6Å; V546-L624 HydrophobicContact CG1-CD2 4.47Å; V546-L624 HydrophobicContact CG2-CD1 4.12Å
547	I	96.7	Very high	96.3	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.9	-175.9	-48.1	177.7	0	0	0	108.4	I538 T539 L545 W549 A556 W558	I538-I547 VanDerWaalsContact CA-O 3.32Å; I538-I547 WeakPolarHBondContact CA-O 3.39Å; I538-I547 WeakPolarHBondContact CG1-O 3.47Å; T539-I547 PolarHBondContact N-O 3.34Å; T539-I547 PolarHBondContact O-N 2.69Å; L545-I547 HydrophobicContact CB-CD1 4.49Å; L545-I547 HydrophobicContact CB-CG1 4.27Å; L545-I547 HydrophobicContact CD1-CD1 4.4Å; I547-W549 HydrophobicContact CB-CZ2 3.82Å; I547-W549 HydrophobicContact CD1-CH2 4.13Å; I547-W549 HydrophobicContact CD1-CZ2 3.66Å; I547-W549 HydrophobicContact CG1-CZ2 4.32Å; I547-W549 HydrophobicContact CG2-CD2 3.77Å; I547-W549 HydrophobicContact CG2-CE3 4.17Å; I547-W549 HydrophobicContact CG2-CG 4.36Å; I547-W549 HydrophobicContact CG2-CH2 3.97Å; I547-W549 HydrophobicContact CG2-CZ2 3.53Å; I547-W549 HydrophobicContact CG2-CZ3 4.26Å; I547-W549 PolarHBondContact O-NE1 3.47Å; I547-A556 HydrophobicContact CG2-CB 3.7Å; I547-W558 WeakPolarHBondContact CA-O 3.2Å; I547-W558 WeakPolarHBondContact CG2-O 3.38Å
548	L	97.4	Very high	96.1	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.026	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124	170.4	-177.4	69.6	0	0	0	108.6	I538 A556 I557 W558 F571 C636	I538-L548 HydrophobicContact CB-CD1 4.17Å; I538-L548 HydrophobicContact CG1-CD1 4.4Å; L548-A556 CarbonylContact O-C 3.57Å; L548-I557 HydrophobicContact CD2-CB 4.31Å; L548-I557 HydrophobicContact CD2-CD1 3.96Å; L548-I557 HydrophobicContact CD2-CG2 4.49Å; L548-I557 HydrophobicContact CG-CB 4.4Å; L548-I557 HydrophobicContact CG-CD1 4.06Å; L548-I557 PolarHBondContact O-N 3.31Å; L548-W558 HydrophobicContact CB-CD2 3.95Å; L548-W558 HydrophobicContact CB-CE3 4.47Å; L548-W558 HydrophobicContact CB-CG 4.41Å; L548-W558 HydrophobicContact CB-CH2 4.21Å; L548-W558 HydrophobicContact CB-CZ2 3.66Å; L548-W558 HydrophobicContact CD2-CZ2 4.15Å; L548-W558 HydrophobicContact CG-CZ2 4.47Å; L548-W558 PolarHBondContact N-O 2.91Å; L548-F571 HydrophobicContact CD1-CZ 3.94Å; L548-C636 HydrophobicContact CD2-CB 4.48Å
549	W	97.3	Very high	95.8	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.008	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	144.5	-175	-51.7	90.9	0	0	0	111.1	Y203 F519 Q536 F537 T539 I547 A556	Y203-W549 HydrophobicContact CD1-CD2 4.31Å; Y203-W549 AromaticContact CD1-CE3 3.48Å; Y203-W549 HydrophobicContact CD1-CE3 3.48Å; Y203-W549 VanDerWaalsContact CD1-CE3 3.48Å; Y203-W549 HydrophobicContact CD1-CH2 4.35Å; Y203-W549 AromaticContact CD1-CZ3 3.51Å; Y203-W549 HydrophobicContact CD1-CZ3 3.51Å; Y203-W549 AromaticContact CE1-CE3 3.83Å; Y203-W549 HydrophobicContact CE1-CE3 3.83Å; Y203-W549 HydrophobicContact CE1-CZ3 4.29Å; Y203-W549 HydrophobicContact CG-CE3 4.2Å; Y203-W549 HydrophobicContact CG-CZ3 4.1Å; F519-W549 HydrophobicContact CB-CH2 3.8Å; F519-W549 HydrophobicContact CB-CZ3 3.93Å; Q536-W549 WeakPolarHBondContact CA-O 3.42Å; Q536-W549 WeakPolarHBondContact CB-O 3.11Å; F537-W549 HydrophobicContact CD1-CB 4.16Å; F537-W549 HydrophobicContact CD2-CB 4.07Å; F537-W549 AromaticContact CD2-CD1 3.57Å; F537-W549 HydrophobicContact CD2-CG 4.06Å; F537-W549 HydrophobicContact CE1-CB 3.74Å; F537-W549 HydrophobicContact CE1-CG 4.45Å; F537-W549 HydrophobicContact CE2-CB 3.63Å; F537-W549 AromaticContact CE2-CD1 3.23Å; F537-W549 HydrophobicContact CE2-CD2 4.3Å; F537-W549 AromaticContact CE2-CG 3.46Å; F537-W549 HydrophobicContact CE2-CG 3.46Å; F537-W549 VanDerWaalsContact CE2-CG 3.46Å; F537-W549 AromaticContact CE2-NE1 3.91Å; F537-W549 HydrophobicContact CG-CB 4.32Å; F537-W549 HydrophobicContact CZ-CB 3.45Å; F537-W549 VanDerWaalsContact CZ-CB 3.45Å; F537-W549 AromaticContact CZ-CD1 3.96Å; F537-W549 HydrophobicContact CZ-CD2 4.45Å; F537-W549 AromaticContact CZ-CG 3.69Å; F537-W549 HydrophobicContact CZ-CG 3.69Å; F537-W549 PolarHBondContact N-O 3.47Å; F537-W549 VanDerWaalsContact N-O 3.13Å; F537-W549 PolarHBondContact O-N 3.26Å; T539-W549 PolarHBondContact OG1-NE1 3.5Å; I547-W549 HydrophobicContact CB-CZ2 3.82Å; I547-W549 HydrophobicContact CD1-CH2 4.13Å; I547-W549 HydrophobicContact CD1-CZ2 3.66Å; I547-W549 HydrophobicContact CG1-CZ2 4.32Å; I547-W549 HydrophobicContact CG2-CD2 3.77Å; I547-W549 HydrophobicContact CG2-CE3 4.17Å; I547-W549 HydrophobicContact CG2-CG 4.36Å; I547-W549 HydrophobicContact CG2-CH2 3.97Å; I547-W549 HydrophobicContact CG2-CZ2 3.53Å; I547-W549 HydrophobicContact CG2-CZ3 4.26Å; I547-W549 PolarHBondContact O-NE1 3.47Å; W549-A556 HydrophobicContact CE3-CB 3.87Å; W549-A556 HydrophobicContact CZ3-CB 3.94Å
550	D	96.7	Very high	95.7	Very high	29 Å²	29	34.8 Å²	34.8	16%	0.155	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	116.8	165.9	-177	72.2	0	0	0	110.6	Q536 L552 S553 K554 Q555 I557	Q536-D550 HydrophobicContact CG-CB 4.43Å; D550-L552 VanDerWaalsContact C-N 3.33Å; D550-L552 PolarHBondContact O-N 3.32Å; D550-L552 PolarHBondContact OD2-N 3Å; D550-S553 WeakPolarHBondContact CB-OG 3.37Å; D550-S553 VanDerWaalsContact OD2-CB 3.3Å; D550-S553 WeakPolarHBondContact OD2-CB 3.12Å; D550-S553 PolarHBondContact OD2-N 3.11Å; D550-S553 PolarHBondContact OD2-OG 3.03Å; D550-K554 WeakPolarHBondContact O-CA 3.42Å; D550-K554 PolarHBondContact O-N 2.71Å; D550-Q555 PolarHBondContact N-O 3.04Å; D550-Q555 PolarHBondContact O-N 2.9Å; D550-I557 HydrophobicContact CB-CD1 4.04Å; D550-I557 HydrophobicContact CB-CG1 3.97Å
551	S	96.8	Very high	95.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-17.8	-173.3	-171.1	0	0	0	0	113.4	H535 K554 L817 Q835	H535-S551 WeakPolarHBondContact O-CA 3.31Å; H535-S551 WeakPolarHBondContact O-CB 3.16Å; H535-S551 PolarHBondContact O-N 3.48Å; S551-K554 WeakPolarHBondContact O-CD 3.32Å; S551-K554 WeakPolarHBondContact O-CE 3.28Å; S551-K554 PolarHBondContact O-NZ 2.73Å; S551-L817 WeakPolarHBondContact OG-CD1 3.26Å; S551-Q835 PolarHBondContact O-NE2 2.93Å; S551-Q835 PolarHBondContact OG-NE2 2.59Å; S551-Q835 PolarHBondContact OG-OE1 3.24Å
552	L	96.3	Very high	95.4	Very high	98 Å²	98	41.3 Å²	41.3	51%	0.513	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-57.4	175.9	-63.7	-179	0	0	0	110.7	H535 D550 K554	H535-L552 HydrophobicContact CB-CD1 4.08Å; H535-L552 HydrophobicContact CB-CD2 4.14Å; H535-L552 HydrophobicContact CB-CG 3.66Å; D550-L552 VanDerWaalsContact C-N 3.33Å; D550-L552 PolarHBondContact O-N 3.32Å; D550-L552 PolarHBondContact OD2-N 3Å; L552-K554 VanDerWaalsContact C-N 3.29Å; L552-K554 PolarHBondContact O-N 2.82Å; L552-K554 PolarHBondContact O-NZ 3.44Å
553	S	94.5	Very high	95.3	Very high	56 Å²	56	41.7 Å²	41.7	39%	0.392	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-13.9	178.5	62.9	0	0	0	0	114.7	D550 Q555	D550-S553 WeakPolarHBondContact CB-OG 3.37Å; D550-S553 VanDerWaalsContact OD2-CB 3.3Å; D550-S553 WeakPolarHBondContact OD2-CB 3.12Å; D550-S553 PolarHBondContact OD2-N 3.11Å; D550-S553 PolarHBondContact OD2-OG 3.03Å; S553-Q555 VanDerWaalsContact C-N 3.3Å; S553-Q555 PolarHBondContact O-N 3.04Å
554	K	95	Very high	95.2	Very high	22 Å²	22	42.8 Å²	42.8	10%	0.096	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	26.3	179.4	-46.6	-63	-173.2	-79	0	114.4	E200 W201 Y203 D550 S551 L552	E200-K554 WeakPolarHBondContact OE1-CE 3.39Å; E200-K554 IonicContact OE1-NZ 2.87Å; E200-K554 PolarHBondContact OE1-NZ 3.32Å; E200-K554 IonicContact OE2-NZ 3.06Å; W201-K554 HydrophobicContact CB-CD 3.8Å; W201-K554 HydrophobicContact CD2-CB 3.74Å; W201-K554 HydrophobicContact CD2-CD 3.92Å; W201-K554 HydrophobicContact CD2-CG 3.7Å; W201-K554 VanDerWaalsContact CE2-CB 3.5Å; W201-K554 HydrophobicContact CE3-CB 4.23Å; W201-K554 HydrophobicContact CE3-CD 4.21Å; W201-K554 HydrophobicContact CE3-CG 3.8Å; W201-K554 HydrophobicContact CG-CB 4.1Å; W201-K554 HydrophobicContact CG-CD 3.74Å; W201-K554 HydrophobicContact CG-CG 4.06Å; W201-K554 HydrophobicContact CH2-CB 4.22Å; W201-K554 HydrophobicContact CH2-CG 4.41Å; W201-K554 HydrophobicContact CZ2-CB 3.78Å; W201-K554 HydrophobicContact CZ2-CG 4.36Å; W201-K554 HydrophobicContact CZ3-CB 4.43Å; W201-K554 HydrophobicContact CZ3-CG 4.14Å; Y203-K554 HydrophobicContact CE1-CB 4.46Å; Y203-K554 WeakPolarHBondContact CE1-O 3.25Å; D550-K554 WeakPolarHBondContact O-CA 3.42Å; D550-K554 PolarHBondContact O-N 2.71Å; S551-K554 WeakPolarHBondContact O-CD 3.32Å; S551-K554 WeakPolarHBondContact O-CE 3.28Å; S551-K554 PolarHBondContact O-NZ 2.73Å; L552-K554 VanDerWaalsContact C-N 3.29Å; L552-K554 PolarHBondContact O-N 2.82Å; L552-K554 PolarHBondContact O-NZ 3.44Å
555	Q	92.4	Very high	95.3	Very high	112 Å²	112	40 Å²	40	52%	0.523	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	156.3	-175.7	-66.6	-178.2	8.7	0	0	112.3	D550 S553	D550-Q555 PolarHBondContact N-O 3.04Å; D550-Q555 PolarHBondContact O-N 2.9Å; S553-Q555 VanDerWaalsContact C-N 3.3Å; S553-Q555 PolarHBondContact O-N 3.04Å
556	A	93.3	Very high	95.4	Very high	20 Å²	20	39.9 Å²	39.9	17%	0.165	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	124.8	165.2	0	0	0	0	0	108.9	F519 I547 L548 W549	F519-A556 HydrophobicContact CB-CB 4.43Å; F519-A556 HydrophobicContact CD2-CB 3.81Å; F519-A556 HydrophobicContact CE2-CB 4.22Å; F519-A556 HydrophobicContact CG-CB 4.16Å; I547-A556 HydrophobicContact CG2-CB 3.7Å; L548-A556 CarbonylContact O-C 3.57Å; W549-A556 HydrophobicContact CE3-CB 3.87Å; W549-A556 HydrophobicContact CZ3-CB 3.94Å
557	I	94.1	Very high	95.4	Very high	85 Å²	85	40.7 Å²	40.7	44%	0.436	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	-43.3	173.4	-54	-177.1	0	0	0	109.5	Q536 L548 D550	Q536-I557 HydrophobicContact CG-CD1 3.97Å; Q536-I557 VanDerWaalsContact NE2-CD1 3.33Å; L548-I557 HydrophobicContact CD2-CB 4.31Å; L548-I557 HydrophobicContact CD2-CD1 3.96Å; L548-I557 HydrophobicContact CD2-CG2 4.49Å; L548-I557 HydrophobicContact CG-CB 4.4Å; L548-I557 HydrophobicContact CG-CD1 4.06Å; L548-I557 PolarHBondContact O-N 3.31Å; D550-I557 HydrophobicContact CB-CD1 4.04Å; D550-I557 HydrophobicContact CB-CG1 3.97Å
558	W	93.9	Very high	95.5	Very high	23 Å²	23	41.2 Å²	41.2	9%	0.087	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	159.9	170.9	54.1	-104.4	0	0	0	110.7	I538 V546 I547 L548 K560 F634 C636	I538-W558 HydrophobicContact CD1-CH2 4.01Å; I538-W558 HydrophobicContact CD1-CZ2 4.46Å; V546-W558 HydrophobicContact CB-CZ3 4.26Å; V546-W558 HydrophobicContact CG1-CH2 3.93Å; V546-W558 HydrophobicContact CG1-CZ3 3.96Å; V546-W558 WeakPolarHBondContact O-CZ3 3.47Å; I547-W558 WeakPolarHBondContact CA-O 3.2Å; I547-W558 WeakPolarHBondContact CG2-O 3.38Å; L548-W558 HydrophobicContact CB-CD2 3.95Å; L548-W558 HydrophobicContact CB-CE3 4.47Å; L548-W558 HydrophobicContact CB-CG 4.41Å; L548-W558 HydrophobicContact CB-CH2 4.21Å; L548-W558 HydrophobicContact CB-CZ2 3.66Å; L548-W558 HydrophobicContact CD2-CZ2 4.15Å; L548-W558 HydrophobicContact CG-CZ2 4.47Å; L548-W558 PolarHBondContact N-O 2.91Å; W558-K560 HydrophobicContact CE3-CB 4.08Å; W558-K560 HydrophobicContact CZ3-CB 4.02Å; W558-F634 HydrophobicContact CH2-CD1 4.12Å; W558-F634 AromaticContact CH2-CE1 3.46Å; W558-F634 HydrophobicContact CH2-CE1 3.46Å; W558-F634 VanDerWaalsContact CH2-CE1 3.46Å; W558-F634 HydrophobicContact CH2-CZ 4.31Å; W558-F634 HydrophobicContact CZ2-CD1 4.38Å; W558-F634 AromaticContact CZ2-CE1 3.67Å; W558-F634 HydrophobicContact CZ2-CE1 3.67Å; W558-F634 HydrophobicContact CZ3-CE1 4.16Å; W558-C636 HydrophobicContact CZ2-CB 3.94Å; W558-C636 PolarHBondContact NE1-O 3.27Å
559	S	92.8	Very high	95.5	Very high	33 Å²	33	41.5 Å²	41.5	23%	0.231	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	138.9	168.2	175.4	0	0	0	0	108.6	V546	V546-S559 WeakPolarHBondContact O-CA 3.27Å
560	K	94.7	Very high	95.6	Very high	67 Å²	67	42.1 Å²	42.1	29%	0.291	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	133.7	179.5	-176.5	167.2	-175.7	143.4	0	111.3	V546 W558 F562 F634 Q639	V546-K560 PolarHBondContact N-O 3.01Å; V546-K560 PolarHBondContact O-N 3.37Å; W558-K560 HydrophobicContact CE3-CB 4.08Å; W558-K560 HydrophobicContact CZ3-CB 4.02Å; K560-F562 HydrophobicContact CB-CE2 4.02Å; K560-F562 HydrophobicContact CD-CE2 4.12Å; K560-F562 HydrophobicContact CD-CZ 4.25Å; K560-F562 HydrophobicContact CG-CD2 4.32Å; K560-F562 HydrophobicContact CG-CE2 3.84Å; K560-F562 HydrophobicContact CG-CZ 4.45Å; K560-F562 WeakPolarHBondContact O-CD2 3.31Å; K560-F634 HydrophobicContact CD-CE2 3.74Å; K560-F634 HydrophobicContact CD-CZ 3.61Å; K560-Q639 PolarHBondContact NZ-O 2.91Å
561	E	94.6	Very high	95.6	Very high	119 Å²	119	41.6 Å²	41.6	56%	0.556	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	138.3	175.2	-163.8	171.5	158.3	0	0	110.9	H544 L545	H544-E561 HydrophobicContact CB-CG 4.1Å; H544-E561 CarbonylContact O-C 3.59Å; H544-E561 WeakPolarHBondContact O-CA 3.37Å; L545-E561 HydrophobicContact CD2-CB 4.13Å; L545-E561 HydrophobicContact CD2-CG 4.4Å
562	F	95.7	Very high	95.6	Very high	18 Å²	18	42.6 Å²	42.6	8%	0.079	23%	0.229	C	C	.	.			trans	-119.1	166.2	-179	-77.1	-101.9	0	0	0	111.5	H544 V546 K560 I566 L624 L632 F634 I641	H544-F562 WeakPolarHBondContact CB-O 3.21Å; H544-F562 PolarHBondContact ND1-O 3.34Å; H544-F562 PolarHBondContact O-N 3.21Å; V546-F562 HydrophobicContact CB-CD2 4.11Å; V546-F562 HydrophobicContact CB-CE2 3.74Å; V546-F562 HydrophobicContact CG2-CD2 3.58Å; V546-F562 HydrophobicContact CG2-CE2 3.55Å; V546-F562 HydrophobicContact CG2-CG 4.46Å; V546-F562 HydrophobicContact CG2-CZ 4.38Å; K560-F562 HydrophobicContact CB-CE2 4.02Å; K560-F562 HydrophobicContact CD-CE2 4.12Å; K560-F562 HydrophobicContact CD-CZ 4.25Å; K560-F562 HydrophobicContact CG-CD2 4.32Å; K560-F562 HydrophobicContact CG-CE2 3.84Å; K560-F562 HydrophobicContact CG-CZ 4.45Å; K560-F562 WeakPolarHBondContact O-CD2 3.31Å; F562-I566 HydrophobicContact CB-CD1 4.49Å; F562-L624 HydrophobicContact CE1-CD1 3.95Å; F562-L624 HydrophobicContact CE2-CD1 4.42Å; F562-L624 HydrophobicContact CZ-CD1 3.84Å; F562-L632 HydrophobicContact CD1-CD1 3.64Å; F562-L632 HydrophobicContact CE1-CD1 3.9Å; F562-F634 HydrophobicContact CE1-CD2 4.05Å; F562-F634 HydrophobicContact CE1-CE2 4.35Å; F562-F634 AromaticContact CZ-CD2 3.67Å; F562-F634 HydrophobicContact CZ-CD2 3.67Å; F562-F634 AromaticContact CZ-CE2 3.71Å; F562-F634 HydrophobicContact CZ-CE2 3.71Å; F562-F634 HydrophobicContact CZ-CG 4.11Å; F562-F634 HydrophobicContact CZ-CZ 4.18Å; F562-I641 HydrophobicContact CD1-CD1 4.41Å; F562-I641 HydrophobicContact CE1-CD1 4.14Å; F562-I641 HydrophobicContact CE1-CG1 4.19Å
563	T	94.3	Very high	95.4	Very high	104 Å²	104	39 Å²	39	64%	0.638	21%	0.211	S	C	*	.	S	Bend	trans	-71.4	-34.5	179	49.4	0	0	0	0	113.3	H544 R630	H544-T563 PolarHBondContact CE1-O 3.2Å; H544-T563 PolarHBondContact ND1-O 2.72Å; T563-R630 PolarHBondContact OG1-NH1 3.3Å
564	D	94.9	Very high	94.8	Very high	28 Å²	28	38.6 Å²	38.6	15%	0.15	21%	0.207	C	C	.	.	S	Bend	trans	-114.9	148.5	-172.6	-60.1	-93.5	0	0	0	109.6	I566 T626 T628 R630	D564-I566 PolarHBondContact O-N 3.5Å; D564-T626 HydrophobicContact CB-CG2 3.79Å; D564-T628 PolarHBondContact OD1-OG1 2.97Å; D564-R630 IonicContact OD2-CZ 3.41Å; D564-R630 IonicContact OD2-NH1 3.37Å; D564-R630 PolarHBondContact OD2-NH1 3.16Å
565	A	96.7	Very high	93.5	Very high	11 Å²	11	42 Å²	42	9%	0.091	22%	0.224	C	C	.	.			trans	-65.3	132.3	173.4	0	0	0	0	0	110.5	R542 T626 S627	R542-A565 HydrophobicContact CG-CB 4.36Å; A565-T626 VanDerWaalsContact O-CA 3.23Å; A565-T626 WeakPolarHBondContact O-CA 3.29Å; A565-T626 WeakPolarHBondContact O-CB 3.39Å; A565-S627 PolarHBondContact O-N 2.88Å; A565-S627 VanDerWaalsContact O-N 3.09Å
566	I	98	Very high	91.6	Very high	4 Å²	4	41 Å²	41	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127.2	-179.4	-53.1	-50.1	0	0	0	109.1	G540 G541 V546 F562 D564 L624 T626	G540-I566 CarbonylContact C-O 3.54Å; G541-I566 WeakPolarHBondContact CA-O 3.44Å; G541-I566 PolarHBondContact N-O 2.9Å; G541-I566 PolarHBondContact O-N 3.09Å; G541-I566 VanDerWaalsContact O-N 3.16Å; V546-I566 HydrophobicContact CG2-CB 4.34Å; V546-I566 HydrophobicContact CG2-CG1 3.6Å; F562-I566 HydrophobicContact CB-CD1 4.49Å; D564-I566 PolarHBondContact O-N 3.5Å; I566-L624 HydrophobicContact CD1-CB 4.3Å; I566-L624 HydrophobicContact CG2-CB 4.22Å; I566-L624 HydrophobicContact CG2-CD2 4.32Å; I566-T626 HydrophobicContact CD1-CG2 3.89Å
567	H	97.8	Very high	88.7	Confident	17 Å²	17	45.6 Å²	45.6	8%	0.079	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-34.6	-177.5	-171.9	77.6	0	0	0	113.1	W526 S527 G625 Q652 E654	W526-H567 CarbonylContact C-O 3.58Å; W526-H567 VanDerWaalsContact C-O 3.31Å; W526-H567 VanDerWaalsContact CB-CE1 3.47Å; W526-H567 WeakPolarHBondContact CB-CE1 3.4Å; W526-H567 AromaticContact CD1-CE1 3.95Å; W526-H567 AromaticContact CD2-CE1 3.81Å; W526-H567 AromaticContact CG-CE1 3.45Å; W526-H567 VanDerWaalsContact CG-CE1 3.45Å; W526-H567 AromaticContact CG-ND1 3.88Å; S527-H567 VanDerWaalsContact CA-O 3.28Å; S527-H567 WeakPolarHBondContact CA-O 2.99Å; S527-H567 WeakPolarHBondContact CB-O 3.48Å; S527-H567 PolarHBondContact N-O 2.85Å; H567-G625 PolarHBondContact N-O 2.83Å; H567-Q652 HydrophobicContact CB-CG 4.2Å; H567-Q652 PolarHBondContact CD2-NE2 2.53Å; H567-Q652 PolarHBondContact CE1-NE2 2.73Å; H567-Q652 VanDerWaalsContact CG-NE2 3.29Å; H567-Q652 PolarHBondContact ND1-NE2 2.99Å; H567-Q652 VanDerWaalsContact ND1-NE2 3.14Å; H567-Q652 PolarHBondContact NE2-NE2 2.86Å; H567-E654 PolarHBondContact CD2-O 3.27Å; H567-E654 IonicContact CD2-OE2 3.88Å; H567-E654 IonicContact CE1-OE1 3.43Å; H567-E654 VanDerWaalsContact NE2-CD 3.27Å; H567-E654 IonicContact NE2-OE1 3.77Å; H567-E654 PolarHBondContact NE2-OE1 3.29Å; H567-E654 VanDerWaalsContact NE2-OE1 3.1Å; H567-E654 IonicContact NE2-OE2 2.82Å; H567-E654 PolarHBondContact NE2-OE2 2.88Å
568	C	98.3	Very high	85.8	Confident	12 Å²	12	47.5 Å²	47.5	8%	0.081	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	160.9	178.7	58.1	0	0	0	0	112.1	S527 G625 I653 E654 V656	S527-C568 WeakPolarHBondContact OG-CA 3.23Å; C568-G625 PolarHBondContact N-O 3.37Å; C568-G625 PolarHBondContact O-N 3.44Å; C568-I653 PolarHBondContact SG-O 3.26Å; C568-E654 WeakPolarHBondContact CB-O 3.27Å; C568-V656 HydrophobicContact CB-CG2 4.34Å
569	A	98.5	Very high	82.6	Confident	12 Å²	12	53.6 Å²	53.6	10%	0.099	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	157.8	178.6	0	0	0	0	0	111.8	S527 A529 I538 V622 V623 L624 V656	S527-A569 WeakPolarHBondContact OG-CB 3.4Å; S527-A569 PolarHBondContact OG-N 2.71Å; S527-A569 VanDerWaalsContact OG-N 3.14Å; A529-A569 HydrophobicContact CB-CB 4.18Å; I538-A569 HydrophobicContact CG2-CB 4.27Å; A569-V622 HydrophobicContact CB-CG2 4.19Å; A569-V623 CarbonylContact C-O 3.16Å; A569-V623 WeakPolarHBondContact CA-O 3.17Å; A569-V623 WeakPolarHBondContact CB-O 3.25Å; A569-L624 HydrophobicContact CB-CD2 3.8Å; A569-V656 VanDerWaalsContact C-CG2 3.45Å
570	A	98.3	Very high	79.6	Confident	15 Å²	15	56.7 Å²	56.7	12%	0.124	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	139.7	166.6	0	0	0	0	0	110.3	V622 V623 V656 Y658	A570-V622 CarbonylContact O-C 3.58Å; A570-V622 WeakPolarHBondContact O-CA 3.5Å; A570-V622 WeakPolarHBondContact O-CG2 3.16Å; A570-V623 HydrophobicContact CB-CG1 3.93Å; A570-V623 PolarHBondContact N-O 3.18Å; A570-V623 WeakPolarHBondContact O-CG1 3.33Å; A570-V623 PolarHBondContact O-N 3.22Å; A570-V656 HydrophobicContact CB-CG2 4Å; A570-Y658 HydrophobicContact CB-CD2 4.16Å; A570-Y658 HydrophobicContact CB-CE2 4.43Å
571	F	97.4	Very high	76.5	Confident	17 Å²	17	61.5 Å²	61.5	8%	0.075	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	144	172	-76.9	-83.7	0	0	0	111	A529 K530 H531 P532 I538 L548 L620 V622 Y658	A529-F571 HydrophobicContact CB-CD2 4.07Å; A529-F571 HydrophobicContact CB-CE2 4.3Å; K530-F571 WeakPolarHBondContact O-CD2 3.36Å; H531-F571 HydrophobicContact CB-CE2 4.46Å; P532-F571 HydrophobicContact CG-CB 4.47Å; I538-F571 HydrophobicContact CB-CE2 4Å; I538-F571 HydrophobicContact CB-CZ 3.91Å; I538-F571 HydrophobicContact CD1-CZ 4.46Å; I538-F571 HydrophobicContact CG2-CD2 4.47Å; I538-F571 HydrophobicContact CG2-CE2 3.6Å; I538-F571 HydrophobicContact CG2-CZ 3.91Å; L548-F571 HydrophobicContact CD1-CZ 3.94Å; F571-L620 HydrophobicContact CD1-CD1 3.51Å; F571-L620 HydrophobicContact CD1-CG 4.05Å; F571-L620 HydrophobicContact CE1-CD1 3.75Å; F571-L620 HydrophobicContact CE1-CD2 3.94Å; F571-L620 HydrophobicContact CE1-CG 3.85Å; F571-V622 HydrophobicContact CD1-CB 4.03Å; F571-V622 HydrophobicContact CD1-CG2 4.27Å; F571-V622 HydrophobicContact CE1-CB 4.15Å; F571-V622 HydrophobicContact CE1-CG2 4.39Å; F571-V622 HydrophobicContact CG-CG2 4.38Å; F571-Y658 WeakPolarHBondContact O-CD2 3.49Å
572	Y	96.3	Very high	73.4	Confident	22 Å²	22	59.4 Å²	59.4	9%	0.086	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-64.5	129.1	168.3	-175.3	-108.8	0	0	0	109	Q575 L621 Y658 G662 V679 R682	Y572-Q575 PolarHBondContact OH-NE2 2.86Å; Y572-Q575 VanDerWaalsContact OH-NE2 3.16Å; Y572-L621 PolarHBondContact N-O 3.14Å; Y572-Y658 AromaticContact CD2-CD1 3.89Å; Y572-Y658 HydrophobicContact CD2-CD1 3.89Å; Y572-Y658 AromaticContact CD2-CE1 3.67Å; Y572-Y658 HydrophobicContact CD2-CE1 3.67Å; Y572-Y658 HydrophobicContact CD2-CE2 4.49Å; Y572-Y658 HydrophobicContact CD2-CG 4.4Å; Y572-Y658 AromaticContact CD2-CZ 3.99Å; Y572-Y658 HydrophobicContact CE2-CD1 4.37Å; Y572-Y658 HydrophobicContact CE2-CE1 4.35Å; Y572-G662 VanDerWaalsContact CE2-O 3.24Å; Y572-G662 WeakPolarHBondContact CE2-O 3.46Å; Y572-G662 PolarHBondContact OH-O 2.83Å; Y572-V679 HydrophobicContact CD2-CG1 4.25Å; Y572-V679 HydrophobicContact CE2-CG1 3.64Å; Y572-R682 HydrophobicContact CE1-CB 4.48Å; Y572-R682 WeakPolarHBondContact CE1-O 3.47Å
573	P	92.9	Very high	70.2	Confident	21 Å²	21	64.2 Å²	64.2	14%	0.136	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-68.5	147.7	-176.5	27.7	-35.5	0	0	0	111.5	Q575 G662	P573-Q575 PolarHBondContact O-N 2.92Å; P573-G662 VanDerWaalsContact CG-CA 3.48Å
574	P	81.8	Confident	67.1	Low	48 Å²	48	68.1 Å²	68.1	31%	0.312	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-65.2	136.4	172	30.2	-35.9	0	0	0	109.3	P532 Q533 S576	P532-P574 HydrophobicContact CB-CG 4.26Å; Q533-P574 HydrophobicContact CG-CB 4.24Å; Q533-P574 HydrophobicContact CG-CG 3.85Å; P574-S576 VanDerWaalsContact C-N 3.25Å; P574-S576 PolarHBondContact O-N 3.44Å
575	Q	67.5	Low	63.7	Low	94 Å²	94	71.5 Å²	71.5	44%	0.439	43%	0.425	S	S	.	.			trans	-72.7	82	176.2	-66.5	-169	-20.4	0	0	110.3	Y572 P573 V577	Y572-Q575 PolarHBondContact OH-NE2 2.86Å; Y572-Q575 VanDerWaalsContact OH-NE2 3.16Å; P573-Q575 PolarHBondContact O-N 2.92Å; Q575-V577 PolarHBondContact O-N 2.8Å
576	S	52.1	Low	60.7	Low	91 Å²	91	75.4 Å²	75.4	64%	0.636	45%	0.45	S	S	*	.			trans	-64.3	127.6	164.3	68.4	0	0	0	0	108.8	P574 L578	P574-S576 VanDerWaalsContact C-N 3.25Å; P574-S576 PolarHBondContact O-N 3.44Å; S576-L578 PolarHBondContact O-N 3.43Å
577	V	33	Very low	57.5	Low	117 Å²	117	82 Å²	82	71%	0.709	49%	0.49	S	S	*	.			trans	-66.2	109.7	167.1	178.7	0	0	0	0	106	Q575 I579	Q575-V577 PolarHBondContact O-N 2.8Å; V577-I579 HydrophobicContact CG1-CG1 4.02Å; V577-I579 PolarHBondContact O-N 3.5Å
578	L	32.6	Very low	54.2	Low	125 Å²	125	87.4 Å²	87.4	65%	0.654	52%	0.519	S	S	*	.			trans	-65.1	87.2	172.1	-81.1	167.4	0	0	0	109	S576 T580	S576-L578 PolarHBondContact O-N 3.43Å; L578-T580 PolarHBondContact O-N 2.87Å
579	I	25.6	Very low	51	Low	150 Å²	150	94.3 Å²	94.3	77%	0.769	56%	0.555	S	S	*	*			trans	-77.3	73.8	165.3	-52.8	178.3	0	0	0	106.9	V577	V577-I579 HydrophobicContact CG1-CG1 4.02Å; V577-I579 PolarHBondContact O-N 3.5Å
580	T	31.3	Very low	47.8	Very low	98 Å²	98	102.7 Å²	102.7	60%	0.601	59%	0.592	S	S	*	*			trans	-81.7	140.4	161.4	52.5	0	0	0	0	108.6	L578 G582	L578-T580 PolarHBondContact O-N 2.87Å; T580-G582 PolarHBondContact O-N 3.48Å
581	N	29.2	Very low	44.7	Very low	169 Å²	169	109.2 Å²	109.2	90%	0.904	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.9	112.1	-170.5	-65.4	-37.7	0	0	0	112.6
582	G	29.1	Very low	41.7	Very low	75 Å²	75	115.1 Å²	115.1	77%	0.773	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	92.7	17.1	151.3	0	0	0	0	0	119.6	T580	T580-G582 PolarHBondContact O-N 3.48Å
583	T	28.7	Very low	38.7	Very low	118 Å²	118	121 Å²	121	72%	0.724	69%	0.69	S	S	*	*			trans	-158	120.1	155	40.5	0	0	0	0	112.1	S585	T583-S585 PolarHBondContact O-N 3.42Å
584	M	28.1	Very low	36.1	Very low	187 Å²	187	125.7 Å²	125.7	92%	0.921	72%	0.723	S	S	*	*			trans	-73.6	116.4	161.1	-79.4	-164	177.2	0	0	109.7
585	S	24.8	Very low	33.8	Very low	98 Å²	98	130.6 Å²	130.6	69%	0.685	75%	0.747	S	S	*	*			trans	-114.4	103.3	155	57.8	0	0	0	0	109.1	T583 V587	T583-S585 PolarHBondContact O-N 3.42Å; S585-V587 PolarHBondContact O-N 3.26Å
586	P	33	Very low	32.4	Very low	94 Å²	94	134.2 Å²	134.2	61%	0.61	77%	0.768	S	S	*	*			trans	-62.5	130.5	163.9	27.7	-31.1	0	0	0	107.5	N588	P586-N588 PolarHBondContact O-N 3.37Å
587	V	31	Very low	31.6	Very low	143 Å²	143	137.6 Å²	137.6	87%	0.867	78%	0.778	S	S	*	*			trans	-72.8	75.4	172.7	-176.6	0	0	0	0	108.1	S585	S585-V587 PolarHBondContact O-N 3.26Å
588	N	29.4	Very low	31.8	Very low	129 Å²	129	135.7 Å²	135.7	69%	0.69	78%	0.782	S	S	*	*			trans	-89.6	138.2	173.8	-94.3	-17.3	0	0	0	109.8	P586 H590	P586-N588 PolarHBondContact O-N 3.37Å; N588-H590 PolarHBondContact O-N 3.27Å
589	N	30.9	Very low	31.8	Very low	157 Å²	157	137.1 Å²	137.1	84%	0.84	79%	0.791	S	S	*	*			trans	-47.8	130.7	176.9	-68	-51.3	0	0	0	111.8	N591	N589-N591 PolarHBondContact O-N 3.41Å; N589-N591 VanDerWaalsContact O-N 3.09Å
590	H	30.6	Very low	32.3	Very low	189 Å²	189	138.1 Å²	138.1	88%	0.875	80%	0.798	S	S	*	*			trans	-60.9	112.5	168	-100.1	30.5	0	0	0	110.4	N588	N588-H590 PolarHBondContact O-N 3.27Å
591	N	34.5	Very low	32.4	Very low	152 Å²	152	139.9 Å²	139.9	81%	0.813	81%	0.808	S	S	*	*			trans	-146.9	100.2	150.6	-94.2	-27.9	0	0	0	107.7	N589	N589-N591 PolarHBondContact O-N 3.41Å; N589-N591 VanDerWaalsContact O-N 3.09Å
592	N	32.6	Very low	32.7	Very low	141 Å²	141	139.6 Å²	139.6	75%	0.754	81%	0.805	S	S	*	*			trans	35.6	130.7	153.9	-66.4	7.6	0	0	0	122.3
593	D	33.8	Very low	32.9	Very low	144 Å²	144	143.5 Å²	143.5	77%	0.77	81%	0.808	S	S	*	*			trans	93.1	127.8	138.6	-60.4	-25	0	0	0	122.4
594	S	39.3	Very low	33	Very low	121 Å²	121	146.2 Å²	146.2	85%	0.846	81%	0.812	S	S	*	*			trans	87.7	119.2	150.8	68.8	0	0	0	0	120.9
595	N	32.8	Very low	33.2	Very low	151 Å²	151	143.3 Å²	143.3	81%	0.807	81%	0.806	S	S	*	*			trans	-60.2	154	168.7	-65.7	-56.3	0	0	0	113.2
596	I	39	Very low	33.6	Very low	170 Å²	170	146 Å²	146	87%	0.872	81%	0.812	S	S	*	*				-166.2	138.4	125.5	-97.6	148.3	0	0	0	110
597	N	34.4	Very low	33.5	Very low	161 Å²	161	148.8 Å²	148.8	86%	0.861	82%	0.822	S	S	*	*			trans	-89.6	151.5	-179.7	-69.7	-34	0	0	0	112.3
598	G	36.4	Very low	33.5	Very low	77 Å²	77	149.3 Å²	149.3	79%	0.794	82%	0.819	S	S	*	*			trans	-173.5	103.6	168.2	0	0	0	0	0	113.5
599	N	33.5	Very low	33.6	Very low	155 Å²	155	150 Å²	150	83%	0.829	82%	0.823	S	S	*	*			trans	-73.3	149.8	178.7	-65.3	-18.8	0	0	0	112.4
600	N	35.5	Very low	33.6	Very low	172 Å²	172	151 Å²	151	92%	0.92	82%	0.82	S	S	*	*			trans	-154.9	146.9	147.3	-94.3	-33.1	0	0	0	110.6
601	V	33.4	Very low	33.5	Very low	135 Å²	135	149 Å²	149	82%	0.818	82%	0.816	S	S	*	*			trans	-119.2	134.1	-170.9	172.8	0	0	0	0	109.4
602	I	35.6	Very low	33.4	Very low	163 Å²	163	145.9 Å²	145.9	84%	0.836	80%	0.802	S	S	*	*			trans	-144.6	145.3	165.5	-50.6	180	0	0	0	110.8
603	D	33.3	Very low	33.1	Very low	157 Å²	157	144.1 Å²	144.1	84%	0.84	80%	0.8	S	S	*	*			trans	-50.6	162.5	-169.1	-65	-62.3	0	0	0	121.4
604	E	32.5	Very low	32.8	Very low	174 Å²	174	145.6 Å²	145.6	81%	0.813	81%	0.805	S	S	*	*			trans	-77.6	175.7	160.3	-63.3	-174.9	146.2	0	0	113
605	T	31.5	Very low	32.4	Very low	127 Å²	127	147.1 Å²	147.1	78%	0.779	80%	0.801	S	S	*	*			trans	82.4	97.3	178	72.4	0	0	0	0	116.6
606	N	32.4	Very low	32.4	Very low	154 Å²	154	146.1 Å²	146.1	82%	0.824	80%	0.795	S	S	*	*				-168.2	149.3	123.1	-98.2	-48.7	0	0	0	111.8
607	N	31.1	Very low	32.7	Very low	153 Å²	153	143.3 Å²	143.3	82%	0.818	79%	0.791	S	S	*	*			trans	-59.3	140.3	179.5	-61.4	-49.2	0	0	0	112.2
608	L	32.4	Very low	34.2	Very low	153 Å²	153	141.6 Å²	141.6	80%	0.801	78%	0.777	S	S	*	*			trans	-129	108.5	157.1	-91.1	116.9	0	0	0	109.7	F610	L608-F610 PolarHBondContact O-N 2.8Å
609	D	30.5	Very low	36.3	Very low	144 Å²	144	140.6 Å²	140.6	77%	0.77	75%	0.754	S	S	*	*			trans	-58.1	114.6	164.8	-68.5	-54.2	0	0	0	109.2	N611	D609-N611 PolarHBondContact O-N 3.05Å
610	F	30	Very low	39	Very low	179 Å²	179	134.3 Å²	134.3	79%	0.785	72%	0.72	S	S	*	*			trans	-81.5	55.2	-174.9	-137.9	-90.9	0	0	0	112.8	L608 V612	L608-F610 PolarHBondContact O-N 2.8Å; F610-V612 HydrophobicContact CD1-CB 4.11Å; F610-V612 HydrophobicContact CD1-CG2 3.62Å; F610-V612 HydrophobicContact CE1-CB 3.92Å; F610-V612 HydrophobicContact CE1-CG2 3.35Å; F610-V612 HydrophobicContact CE2-CG2 4.48Å; F610-V612 HydrophobicContact CG-CG2 4.31Å; F610-V612 HydrophobicContact CZ-CG2 3.83Å; F610-V612 PolarHBondContact O-N 3.14Å
611	N	28.4	Very low	41.9	Very low	147 Å²	147	126.2 Å²	126.2	79%	0.786	68%	0.677	S	S	*	*			trans	-77.1	70.3	163.5	-83.3	-50.5	0	0	0	110	D609 S613	D609-N611 PolarHBondContact O-N 3.05Å; N611-S613 VanDerWaalsContact C-N 3.29Å; N611-S613 PolarHBondContact O-N 2.84Å
612	V	33	Very low	45	Very low	86 Å²	86	119.8 Å²	119.8	52%	0.521	64%	0.638	S	S	.	*			trans	-89.6	74.6	168.4	-177.7	0	0	0	0	109.5	F610	F610-V612 HydrophobicContact CD1-CB 4.11Å; F610-V612 HydrophobicContact CD1-CG2 3.62Å; F610-V612 HydrophobicContact CE1-CB 3.92Å; F610-V612 HydrophobicContact CE1-CG2 3.35Å; F610-V612 HydrophobicContact CE2-CG2 4.48Å; F610-V612 HydrophobicContact CG-CG2 4.31Å; F610-V612 HydrophobicContact CZ-CG2 3.83Å; F610-V612 PolarHBondContact O-N 3.14Å
613	S	27	Very low	47.9	Very low	103 Å²	103	112 Å²	112	72%	0.72	60%	0.598	S	S	*	*			trans	-58	143.4	152	53.5	0	0	0	0	110.2	N611	N611-S613 VanDerWaalsContact C-N 3.29Å; N611-S613 PolarHBondContact O-N 2.84Å
614	M	27.6	Very low	51	Low	176 Å²	176	104.6 Å²	104.6	87%	0.867	56%	0.558	S	S	*	*			trans	63.9	72.5	177	-58.4	-168.5	177.9	0	0	115.9	N616	M614-N616 PolarHBondContact O-N 3.34Å
615	M	30	Very low	54.2	Low	153 Å²	153	96.3 Å²	96.3	75%	0.754	52%	0.519	S	S	*	.			trans	-69	123.6	146.2	-62.4	-165.1	88	0	0	108
616	N	33.3	Very low	57.3	Low	129 Å²	129	90.2 Å²	90.2	69%	0.69	48%	0.482	S	S	*	.			trans	-52.9	146	179.2	-77.6	-47.3	0	0	0	111.3	M614 H618	M614-N616 PolarHBondContact O-N 3.34Å; N616-H618 VanDerWaalsContact C-N 3.27Å; N616-H618 PolarHBondContact O-CD2 3.16Å; N616-H618 PolarHBondContact O-N 2.88Å
617	S	44.4	Very low	60.2	Low	111 Å²	111	85.2 Å²	85.2	78%	0.776	46%	0.459	S	S	*	.			trans	-64.5	84	176.5	58.1	0	0	0	0	111
618	H	66.5	Low	63.2	Low	125 Å²	125	80.7 Å²	80.7	58%	0.579	44%	0.437	S	S	*	.			trans	-69	137.4	169.4	-70.5	-56.2	0	0	0	109.3	N616 L620	N616-H618 VanDerWaalsContact C-N 3.27Å; N616-H618 PolarHBondContact O-CD2 3.16Å; N616-H618 PolarHBondContact O-N 2.88Å; H618-L620 PolarHBondContact O-N 3Å
619	D	79.4	Confident	66.1	Low	57 Å²	57	73.4 Å²	73.4	31%	0.305	40%	0.399	S	S	.	.			trans	-60.6	118.7	180	-82	-59.2	0	0	0	110.7	L621 N635 K638 Y684	D619-L621 HydrophobicContact CB-CD2 4.38Å; D619-L621 PolarHBondContact O-N 3.3Å; D619-N635 WeakPolarHBondContact CB-ND2 3.16Å; D619-N635 PolarHBondContact OD1-ND2 2.95Å; D619-K638 WeakPolarHBondContact OD1-CE 3.11Å; D619-K638 IonicContact OD1-NZ 3.99Å; D619-K638 PolarHBondContact OD1-NZ 3.09Å; D619-K638 IonicContact OD2-NZ 3.17Å; D619-K638 PolarHBondContact OD2-NZ 2.7Å; D619-Y684 HydrophobicContact CB-CE2 4.26Å; D619-Y684 WeakPolarHBondContact CB-OH 3.18Å; D619-Y684 PolarHBondContact OD2-OH 3.06Å
620	L	91.7	Very high	69.3	Low	22 Å²	22	69.8 Å²	69.8	12%	0.115	37%	0.374	C	S	.	.			trans	-77.3	101.9	177.3	179.2	60.5	0	0	0	109.4	H531 F571 H618 C636 L637	H531-L620 VanDerWaalsContact NE2-CD1 3.31Å; H531-L620 WeakPolarHBondContact NE2-CD1 3.29Å; F571-L620 HydrophobicContact CD1-CD1 3.51Å; F571-L620 HydrophobicContact CD1-CG 4.05Å; F571-L620 HydrophobicContact CE1-CD1 3.75Å; F571-L620 HydrophobicContact CE1-CD2 3.94Å; F571-L620 HydrophobicContact CE1-CG 3.85Å; H618-L620 PolarHBondContact O-N 3Å; L620-C636 HydrophobicContact CB-CB 4.17Å; L620-C636 HydrophobicContact CD2-CB 3.73Å; L620-C636 HydrophobicContact CG-CB 3.86Å; L620-C636 PolarHBondContact O-N 3.16Å; L620-L637 HydrophobicContact CB-CD1 4.4Å; L620-L637 HydrophobicContact CB-CG 4.07Å
621	L	96.1	Very high	72.5	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.01	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	141.2	179.1	-56.7	-176.3	0	0	0	111.6	Y572 D619 V633 F634 N635 I642 G683 Y684	Y572-L621 PolarHBondContact N-O 3.14Å; D619-L621 HydrophobicContact CB-CD2 4.38Å; D619-L621 PolarHBondContact O-N 3.3Å; L621-V633 HydrophobicContact CB-CG1 4.34Å; L621-V633 HydrophobicContact CD1-CG1 4.49Å; L621-F634 WeakPolarHBondContact CA-O 3.34Å; L621-N635 HydrophobicContact CD2-CB 3.81Å; L621-I642 HydrophobicContact CD2-CG1 4.09Å; L621-G683 WeakPolarHBondContact CD1-O 3.09Å; L621-Y684 HydrophobicContact CD1-CD2 3.99Å; L621-Y684 HydrophobicContact CD1-CE2 3.87Å; L621-Y684 HydrophobicContact CD2-CE2 4.44Å
622	V	97.4	Very high	75.8	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.6	172.6	68.4	0	0	0	0	109.6	I538 A569 A570 F571 L624 V633 F634 C636	I538-V622 HydrophobicContact CD1-CG1 4.06Å; I538-V622 HydrophobicContact CD1-CG2 4.27Å; I538-V622 HydrophobicContact CG2-CG2 4.32Å; A569-V622 HydrophobicContact CB-CG2 4.19Å; A570-V622 CarbonylContact O-C 3.58Å; A570-V622 WeakPolarHBondContact O-CA 3.5Å; A570-V622 WeakPolarHBondContact O-CG2 3.16Å; F571-V622 HydrophobicContact CD1-CB 4.03Å; F571-V622 HydrophobicContact CD1-CG2 4.27Å; F571-V622 HydrophobicContact CE1-CB 4.15Å; F571-V622 HydrophobicContact CE1-CG2 4.39Å; F571-V622 HydrophobicContact CG-CG2 4.38Å; V622-L624 HydrophobicContact CG1-CD2 4.06Å; V622-L624 HydrophobicContact CG1-CG 4.28Å; V622-L624 HydrophobicContact CG2-CD2 4.07Å; V622-V633 WeakPolarHBondContact O-CA 3.47Å; V622-F634 HydrophobicContact CG1-CB 3.91Å; V622-F634 HydrophobicContact CG1-CD1 4.16Å; V622-F634 PolarHBondContact N-O 3.05Å; V622-F634 PolarHBondContact O-N 3.23Å; V622-C636 WeakPolarHBondContact CG1-SG 3.45Å
623	V	98.4	Very high	78.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	138.3	165.3	64.2	0	0	0	0	109.3	A569 A570 W631 L632 V633 V656 Y658 L665	A569-V623 CarbonylContact C-O 3.16Å; A569-V623 WeakPolarHBondContact CA-O 3.17Å; A569-V623 WeakPolarHBondContact CB-O 3.25Å; A570-V623 HydrophobicContact CB-CG1 3.93Å; A570-V623 PolarHBondContact N-O 3.18Å; A570-V623 WeakPolarHBondContact O-CG1 3.33Å; A570-V623 PolarHBondContact O-N 3.22Å; V623-W631 HydrophobicContact CG2-CE3 3.78Å; V623-W631 HydrophobicContact CG2-CZ3 4.38Å; V623-L632 CarbonylContact C-O 3.59Å; V623-L632 VanDerWaalsContact CA-O 3.28Å; V623-L632 WeakPolarHBondContact CA-O 3.3Å; V623-L632 WeakPolarHBondContact CG2-O 3.49Å; V623-V633 HydrophobicContact CB-CG2 4.48Å; V623-V633 HydrophobicContact CG2-CG2 4.42Å; V623-V656 HydrophobicContact CG1-CB 4.11Å; V623-V656 HydrophobicContact CG1-CG2 3.84Å; V623-Y658 HydrophobicContact CB-CE2 4.13Å; V623-Y658 HydrophobicContact CG1-CD2 4.39Å; V623-Y658 HydrophobicContact CG1-CE2 3.59Å; V623-L665 HydrophobicContact CG1-CD1 4.03Å; V623-L665 HydrophobicContact CG2-CD2 4.16Å
624	L	98.4	Very high	82.3	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	118.1	178.6	-54.3	173.9	0	0	0	108.7	V546 F562 I566 A569 V622 W631 L632 F634	V546-L624 HydrophobicContact CG1-CD2 4.47Å; V546-L624 HydrophobicContact CG2-CD1 4.12Å; F562-L624 HydrophobicContact CE1-CD1 3.95Å; F562-L624 HydrophobicContact CE2-CD1 4.42Å; F562-L624 HydrophobicContact CZ-CD1 3.84Å; I566-L624 HydrophobicContact CD1-CB 4.3Å; I566-L624 HydrophobicContact CG2-CB 4.22Å; I566-L624 HydrophobicContact CG2-CD2 4.32Å; A569-L624 HydrophobicContact CB-CD2 3.8Å; V622-L624 HydrophobicContact CG1-CD2 4.06Å; V622-L624 HydrophobicContact CG1-CG 4.28Å; V622-L624 HydrophobicContact CG2-CD2 4.07Å; L624-W631 CarbonylContact O-C 3.6Å; L624-W631 WeakPolarHBondContact O-CA 3.39Å; L624-W631 WeakPolarHBondContact O-CB 2.99Å; L624-L632 HydrophobicContact CB-CB 4.41Å; L624-L632 PolarHBondContact N-O 2.73Å; L624-L632 PolarHBondContact O-N 2.8Å; L624-F634 HydrophobicContact CD1-CB 4.14Å
625	G	98	Very high	85.5	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	137.6	173.1	0	0	0	0	0	111.2	H567 C568	H567-G625 PolarHBondContact N-O 2.83Å; C568-G625 PolarHBondContact N-O 3.37Å; C568-G625 PolarHBondContact O-N 3.44Å
626	T	97.5	Very high	88.6	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	168	-173.6	73.5	0	0	0	0	113	D564 A565 I566 T628 R630 I653	D564-T626 HydrophobicContact CB-CG2 3.79Å; A565-T626 VanDerWaalsContact O-CA 3.23Å; A565-T626 WeakPolarHBondContact O-CA 3.29Å; A565-T626 WeakPolarHBondContact O-CB 3.39Å; I566-T626 HydrophobicContact CD1-CG2 3.89Å; T626-T628 PolarHBondContact O-N 3.44Å; T626-T628 PolarHBondContact OG1-N 3.09Å; T626-T628 PolarHBondContact OG1-OG1 3.31Å; T626-T628 VanDerWaalsContact OG1-OG1 3.11Å; T626-R630 WeakPolarHBondContact CB-O 3.48Å; T626-R630 HydrophobicContact CG2-CB 4.34Å; T626-R630 WeakPolarHBondContact CG2-O 3.37Å; T626-R630 PolarHBondContact N-O 2.89Å; T626-R630 WeakPolarHBondContact OG1-CB 3.38Å; T626-R630 PolarHBondContact OG1-N 3.27Å; T626-R630 PolarHBondContact OG1-O 3.13Å; T626-I653 PolarHBondContact O-N 2.98Å
627	S	93.6	Very high	91.3	Very high	48 Å²	48	28.6 Å²	28.6	34%	0.336	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-5.7	172.2	66.9	0	0	0	0	115.2	A565	A565-S627 PolarHBondContact O-N 2.88Å; A565-S627 VanDerWaalsContact O-N 3.09Å
628	T	94.3	Very high	93.6	Very high	58 Å²	58	28.3 Å²	28.3	36%	0.356	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	17.2	-172.1	58.5	0	0	0	0	113.6	D564 T626 R630 G650	D564-T628 PolarHBondContact OD1-OG1 2.97Å; T626-T628 PolarHBondContact O-N 3.44Å; T626-T628 PolarHBondContact OG1-N 3.09Å; T626-T628 PolarHBondContact OG1-OG1 3.31Å; T626-T628 VanDerWaalsContact OG1-OG1 3.11Å; T628-R630 PolarHBondContact O-N 3.3Å; T628-G650 CarbonylContact C-O 3.54Å; T628-G650 WeakPolarHBondContact CA-O 3.41Å; T628-G650 CarbonylContact O-C 3.58Å; T628-G650 WeakPolarHBondContact O-CA 3.29Å
629	G	93.6	Very high	94.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	69.6	-2.1	-174.5	0	0	0	0	0	114.6	S646 D647 E651	G629-S646 WeakPolarHBondContact O-CA 3.21Å; G629-D647 PolarHBondContact O-N 3.3Å; G629-D647 VanDerWaalsContact O-N 3.1Å; G629-E651 WeakPolarHBondContact CA-O 3.27Å; G629-E651 PolarHBondContact N-O 2.85Å; G629-E651 VanDerWaalsContact N-O 3.11Å
630	R	96.8	Very high	95.7	Very high	68 Å²	68	27.3 Å²	27.3	26%	0.257	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	147.7	170.4	-167.9	-178.3	180	-162.3	-1.6	110	T563 D564 T626 T628 L632 H645	T563-R630 PolarHBondContact OG1-NH1 3.3Å; D564-R630 IonicContact OD2-CZ 3.41Å; D564-R630 IonicContact OD2-NH1 3.37Å; D564-R630 PolarHBondContact OD2-NH1 3.16Å; T626-R630 WeakPolarHBondContact CB-O 3.48Å; T626-R630 HydrophobicContact CG2-CB 4.34Å; T626-R630 WeakPolarHBondContact CG2-O 3.37Å; T626-R630 PolarHBondContact N-O 2.89Å; T626-R630 WeakPolarHBondContact OG1-CB 3.38Å; T626-R630 PolarHBondContact OG1-N 3.27Å; T626-R630 PolarHBondContact OG1-O 3.13Å; T628-R630 PolarHBondContact O-N 3.3Å; R630-L632 HydrophobicContact CG-CD2 4.42Å; R630-H645 CarbonylContact C-O 3.5Å; R630-H645 WeakPolarHBondContact CA-O 3.38Å; R630-H645 VanDerWaalsContact CG-O 3.29Å; R630-H645 WeakPolarHBondContact CG-O 3.34Å
631	W	97.8	Very high	95.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	148.5	168.2	59.3	-85.6	0	0	0	110.4	V623 L624 V633 H645 D647 L665 L667 Y677 Y686	V623-W631 HydrophobicContact CG2-CE3 3.78Å; V623-W631 HydrophobicContact CG2-CZ3 4.38Å; L624-W631 CarbonylContact O-C 3.6Å; L624-W631 WeakPolarHBondContact O-CA 3.39Å; L624-W631 WeakPolarHBondContact O-CB 2.99Å; W631-V633 HydrophobicContact CE3-CG2 4.22Å; W631-V633 HydrophobicContact CZ3-CG2 3.82Å; W631-H645 HydrophobicContact CD2-CB 3.78Å; W631-H645 AromaticContact CE2-CG 3.89Å; W631-H645 HydrophobicContact CE3-CB 4.34Å; W631-H645 HydrophobicContact CG-CB 4.28Å; W631-H645 HydrophobicContact CH2-CB 4.06Å; W631-H645 AromaticContact CH2-CD2 3.3Å; W631-H645 WeakPolarHBondContact CH2-CD2 3.43Å; W631-H645 AromaticContact CH2-CG 3.72Å; W631-H645 AromaticContact CH2-NE2 3.9Å; W631-H645 HydrophobicContact CZ2-CB 3.43Å; W631-H645 VanDerWaalsContact CZ2-CB 3.43Å; W631-H645 AromaticContact CZ2-CD2 3.62Å; W631-H645 AromaticContact CZ2-CG 3.51Å; W631-H645 HydrophobicContact CZ3-CB 4.48Å; W631-H645 AromaticContact CZ3-CD2 3.57Å; W631-H645 PolarHBondContact N-O 2.94Å; W631-H645 PolarHBondContact O-N 3.17Å; W631-H645 VanDerWaalsContact O-O 3.13Å; W631-D647 PolarHBondContact NE1-OD2 3.47Å; W631-L665 HydrophobicContact CE3-CD2 4.3Å; W631-L665 HydrophobicContact CH2-CD2 4.04Å; W631-L665 HydrophobicContact CZ3-CD2 3.76Å; W631-L667 HydrophobicContact CD2-CD1 3.86Å; W631-L667 HydrophobicContact CD2-CD2 4.49Å; W631-L667 VanDerWaalsContact CE2-CD1 3.42Å; W631-L667 HydrophobicContact CG-CD1 3.93Å; W631-L667 HydrophobicContact CZ2-CD1 3.98Å; W631-Y677 HydrophobicContact CH2-CD1 4.38Å; W631-Y677 HydrophobicContact CH2-CE1 4.45Å; W631-Y677 HydrophobicContact CH2-CG 4.43Å; W631-Y677 HydrophobicContact CZ2-CD1 4.14Å; W631-Y677 AromaticContact CZ2-CD2 3.96Å; W631-Y677 HydrophobicContact CZ2-CD2 3.96Å; W631-Y677 AromaticContact CZ2-CE1 3.86Å; W631-Y677 HydrophobicContact CZ2-CE1 3.86Å; W631-Y677 AromaticContact CZ2-CE2 3.66Å; W631-Y677 HydrophobicContact CZ2-CE2 3.66Å; W631-Y677 HydrophobicContact CZ2-CG 4.2Å; W631-Y677 AromaticContact CZ2-CZ 3.61Å; W631-Y686 AromaticContact CH2-CD1 3.78Å; W631-Y686 HydrophobicContact CH2-CD1 3.78Å; W631-Y686 HydrophobicContact CH2-CD2 4.33Å; W631-Y686 AromaticContact CH2-CG 3.69Å; W631-Y686 HydrophobicContact CH2-CG 3.69Å; W631-Y686 HydrophobicContact CZ3-CD1 4.08Å; W631-Y686 HydrophobicContact CZ3-CD2 4.39Å; W631-Y686 HydrophobicContact CZ3-CE1 4.39Å; W631-Y686 HydrophobicContact CZ3-CG 4.1Å
632	L	97.6	Very high	95.8	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	149.8	-173.3	-56.3	177	0	0	0	109.6	F562 V623 L624 R630 I641 A643 A644	F562-L632 HydrophobicContact CD1-CD1 3.64Å; F562-L632 HydrophobicContact CE1-CD1 3.9Å; V623-L632 CarbonylContact C-O 3.59Å; V623-L632 VanDerWaalsContact CA-O 3.28Å; V623-L632 WeakPolarHBondContact CA-O 3.3Å; V623-L632 WeakPolarHBondContact CG2-O 3.49Å; L624-L632 HydrophobicContact CB-CB 4.41Å; L624-L632 PolarHBondContact N-O 2.73Å; L624-L632 PolarHBondContact O-N 2.8Å; R630-L632 HydrophobicContact CG-CD2 4.42Å; L632-I641 HydrophobicContact CD1-CD1 4.2Å; L632-I641 HydrophobicContact CD2-CG2 4.3Å; L632-A643 WeakPolarHBondContact CA-O 3.39Å; L632-A644 HydrophobicContact CD2-CB 3.52Å
633	V	97.6	Very high	95.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.5	164.4	-177.8	0	0	0	0	107.9	L621 V622 V623 W631 I642 A643 Y686	L621-V633 HydrophobicContact CB-CG1 4.34Å; L621-V633 HydrophobicContact CD1-CG1 4.49Å; V622-V633 WeakPolarHBondContact O-CA 3.47Å; V623-V633 HydrophobicContact CB-CG2 4.48Å; V623-V633 HydrophobicContact CG2-CG2 4.42Å; W631-V633 HydrophobicContact CE3-CG2 4.22Å; W631-V633 HydrophobicContact CZ3-CG2 3.82Å; V633-I642 HydrophobicContact CG1-CB 4.5Å; V633-I642 PolarHBondContact O-N 3.47Å; V633-A643 HydrophobicContact CB-CB 4.14Å; V633-A643 HydrophobicContact CG2-CB 4.36Å; V633-A643 PolarHBondContact N-O 2.91Å; V633-A643 PolarHBondContact O-N 3.21Å; V633-Y686 HydrophobicContact CB-CE2 4.29Å; V633-Y686 HydrophobicContact CG1-CE2 4.33Å; V633-Y686 HydrophobicContact CG2-CD2 4.3Å; V633-Y686 HydrophobicContact CG2-CE1 4.49Å; V633-Y686 HydrophobicContact CG2-CE2 3.6Å
634	F	97.5	Very high	95.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.2	-171	-176.6	-102.1	0	0	0	110.1	W558 K560 F562 L621 V622 L624 Q639 E640 I641	W558-F634 HydrophobicContact CH2-CD1 4.12Å; W558-F634 AromaticContact CH2-CE1 3.46Å; W558-F634 HydrophobicContact CH2-CE1 3.46Å; W558-F634 VanDerWaalsContact CH2-CE1 3.46Å; W558-F634 HydrophobicContact CH2-CZ 4.31Å; W558-F634 HydrophobicContact CZ2-CD1 4.38Å; W558-F634 AromaticContact CZ2-CE1 3.67Å; W558-F634 HydrophobicContact CZ2-CE1 3.67Å; W558-F634 HydrophobicContact CZ3-CE1 4.16Å; K560-F634 HydrophobicContact CD-CE2 3.74Å; K560-F634 HydrophobicContact CD-CZ 3.61Å; F562-F634 HydrophobicContact CE1-CD2 4.05Å; F562-F634 HydrophobicContact CE1-CE2 4.35Å; F562-F634 AromaticContact CZ-CD2 3.67Å; F562-F634 HydrophobicContact CZ-CD2 3.67Å; F562-F634 AromaticContact CZ-CE2 3.71Å; F562-F634 HydrophobicContact CZ-CE2 3.71Å; F562-F634 HydrophobicContact CZ-CG 4.11Å; F562-F634 HydrophobicContact CZ-CZ 4.18Å; L621-F634 WeakPolarHBondContact CA-O 3.34Å; V622-F634 HydrophobicContact CG1-CB 3.91Å; V622-F634 HydrophobicContact CG1-CD1 4.16Å; V622-F634 PolarHBondContact N-O 3.05Å; V622-F634 PolarHBondContact O-N 3.23Å; L624-F634 HydrophobicContact CD1-CB 4.14Å; F634-Q639 VanDerWaalsContact CE2-O 3.32Å; F634-Q639 WeakPolarHBondContact CE2-O 3.41Å; F634-Q639 VanDerWaalsContact CZ-C 3.41Å; F634-Q639 HydrophobicContact CZ-CB 3.85Å; F634-Q639 HydrophobicContact CZ-CG 4.4Å; F634-E640 WeakPolarHBondContact CA-O 3.43Å; F634-E640 WeakPolarHBondContact CD2-O 3.2Å; F634-I641 HydrophobicContact CD2-CG1 4.07Å
635	N	95.8	Very high	95.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	111.3	173	-177.7	-48.6	0	0	0	109	D619 L621 L637 K638 Q639 E640 I642 Y684	D619-N635 WeakPolarHBondContact CB-ND2 3.16Å; D619-N635 PolarHBondContact OD1-ND2 2.95Å; L621-N635 HydrophobicContact CD2-CB 3.81Å; N635-L637 VanDerWaalsContact C-N 3.27Å; N635-L637 PolarHBondContact O-N 2.83Å; N635-L637 PolarHBondContact OD1-N 3.13Å; N635-K638 HydrophobicContact CB-CB 4.34Å; N635-K638 PolarHBondContact OD1-N 3.41Å; N635-Q639 WeakPolarHBondContact O-CA 3.35Å; N635-Q639 PolarHBondContact O-N 3.3Å; N635-E640 HydrophobicContact CB-CG 4.03Å; N635-E640 PolarHBondContact N-O 2.84Å; N635-E640 PolarHBondContact O-N 3.36Å; N635-I642 HydrophobicContact CB-CD1 4Å; N635-I642 HydrophobicContact CB-CG1 3.89Å; N635-Y684 PolarHBondContact ND2-OH 3.03Å
636	C	94.1	Very high	95.4	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.02	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-19	-174.8	-64.9	0	0	0	0	114.3	L548 W558 L620 V622	L548-C636 HydrophobicContact CD2-CB 4.48Å; W558-C636 HydrophobicContact CZ2-CB 3.94Å; W558-C636 PolarHBondContact NE1-O 3.27Å; L620-C636 HydrophobicContact CB-CB 4.17Å; L620-C636 HydrophobicContact CD2-CB 3.73Å; L620-C636 HydrophobicContact CG-CB 3.86Å; L620-C636 PolarHBondContact O-N 3.16Å; V622-C636 WeakPolarHBondContact CG1-SG 3.45Å
637	L	91.5	Very high	94.9	Very high	104 Å²	104	42.1 Å²	42.1	55%	0.545	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-46.7	179.2	-59.1	178.8	0	0	0	111.3	L620 N635 Q639	L620-L637 HydrophobicContact CB-CD1 4.4Å; L620-L637 HydrophobicContact CB-CG 4.07Å; N635-L637 VanDerWaalsContact C-N 3.27Å; N635-L637 PolarHBondContact O-N 2.83Å; N635-L637 PolarHBondContact OD1-N 3.13Å; L637-Q639 VanDerWaalsContact C-N 3.33Å
638	K	92.9	Very high	93.9	Very high	105 Å²	105	41.6 Å²	41.6	46%	0.457	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-13	178.4	-62.9	172.8	-166.9	153.1	0	113	D619 N635 E640	D619-K638 WeakPolarHBondContact OD1-CE 3.11Å; D619-K638 IonicContact OD1-NZ 3.99Å; D619-K638 PolarHBondContact OD1-NZ 3.09Å; D619-K638 IonicContact OD2-NZ 3.17Å; D619-K638 PolarHBondContact OD2-NZ 2.7Å; N635-K638 HydrophobicContact CB-CB 4.34Å; N635-K638 PolarHBondContact OD1-N 3.41Å; K638-E640 VanDerWaalsContact C-N 3.28Å; K638-E640 HydrophobicContact CB-CG 3.81Å; K638-E640 WeakPolarHBondContact CD-OE1 3.01Å; K638-E640 PolarHBondContact O-N 3.3Å
639	Q	93.6	Very high	93.2	Very high	75 Å²	75	46.2 Å²	46.2	35%	0.35	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	36.9	-174.5	-58.8	-175.1	18.3	0	0	114.3	K560 F634 N635 L637	K560-Q639 PolarHBondContact NZ-O 2.91Å; F634-Q639 VanDerWaalsContact CE2-O 3.32Å; F634-Q639 WeakPolarHBondContact CE2-O 3.41Å; F634-Q639 VanDerWaalsContact CZ-C 3.41Å; F634-Q639 HydrophobicContact CZ-CB 3.85Å; F634-Q639 HydrophobicContact CZ-CG 4.4Å; N635-Q639 WeakPolarHBondContact O-CA 3.35Å; N635-Q639 PolarHBondContact O-N 3.3Å; L637-Q639 VanDerWaalsContact C-N 3.33Å
640	E	94.9	Very high	93	Very high	86 Å²	86	48.3 Å²	48.3	40%	0.402	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	151.2	-177.5	65.5	-177.8	177.4	0	0	112.7	F634 N635 K638 I642	F634-E640 WeakPolarHBondContact CA-O 3.43Å; F634-E640 WeakPolarHBondContact CD2-O 3.2Å; N635-E640 HydrophobicContact CB-CG 4.03Å; N635-E640 PolarHBondContact N-O 2.84Å; N635-E640 PolarHBondContact O-N 3.36Å; K638-E640 VanDerWaalsContact C-N 3.28Å; K638-E640 HydrophobicContact CB-CG 3.81Å; K638-E640 WeakPolarHBondContact CD-OE1 3.01Å; K638-E640 PolarHBondContact O-N 3.3Å; E640-I642 HydrophobicContact CG-CD1 3.68Å; E640-I642 WeakPolarHBondContact OE1-CD1 3.32Å
641	I	96.2	Very high	92.9	Very high	81 Å²	81	49.5 Å²	49.5	42%	0.415	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	115.2	171.6	-61.9	172.1	0	0	0	107.5	F562 L632 F634 A643 A644	F562-I641 HydrophobicContact CD1-CD1 4.41Å; F562-I641 HydrophobicContact CE1-CD1 4.14Å; F562-I641 HydrophobicContact CE1-CG1 4.19Å; L632-I641 HydrophobicContact CD1-CD1 4.2Å; L632-I641 HydrophobicContact CD2-CG2 4.3Å; F634-I641 HydrophobicContact CD2-CG1 4.07Å; I641-A643 WeakPolarHBondContact CG2-O 3.16Å; I641-A644 HydrophobicContact CG2-CB 4.44Å
642	I	95.3	Very high	92.8	Very high	44 Å²	44	50.6 Å²	50.6	23%	0.226	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-42.1	179.3	-59.8	-56.2	0	0	0	111.1	L621 V633 N635 E640 Y684	L621-I642 HydrophobicContact CD2-CG1 4.09Å; V633-I642 HydrophobicContact CG1-CB 4.5Å; V633-I642 PolarHBondContact O-N 3.47Å; N635-I642 HydrophobicContact CB-CD1 4Å; N635-I642 HydrophobicContact CB-CG1 3.89Å; E640-I642 HydrophobicContact CG-CD1 3.68Å; E640-I642 WeakPolarHBondContact OE1-CD1 3.32Å; I642-Y684 HydrophobicContact CD1-CE1 3.8Å; I642-Y684 HydrophobicContact CG1-CE1 4.17Å; I642-Y684 HydrophobicContact CG2-CD1 3.45Å; I642-Y684 VanDerWaalsContact CG2-CD1 3.45Å; I642-Y684 HydrophobicContact CG2-CE1 3.78Å; I642-Y684 HydrophobicContact CG2-CG 4.24Å
643	A	94.4	Very high	92.8	Very high	16 Å²	16	50.6 Å²	50.6	13%	0.132	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	151.1	179.8	0	0	0	0	0	111	L632 V633 I641 Y686	L632-A643 WeakPolarHBondContact CA-O 3.39Å; V633-A643 HydrophobicContact CB-CB 4.14Å; V633-A643 HydrophobicContact CG2-CB 4.36Å; V633-A643 PolarHBondContact N-O 2.91Å; V633-A643 PolarHBondContact O-N 3.21Å; I641-A643 WeakPolarHBondContact CG2-O 3.16Å; A643-Y686 HydrophobicContact CB-CD2 4.42Å
644	A	96	Very high	92.8	Very high	52 Å²	52	51.4 Å²	51.4	43%	0.43	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	129.2	174.3	0	0	0	0	0	109	L632 I641	L632-A644 HydrophobicContact CD2-CB 3.52Å; I641-A644 HydrophobicContact CG2-CB 4.44Å
645	H	96.6	Very high	92.8	Very high	52 Å²	52	52.2 Å²	52.2	24%	0.241	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	164.3	-173.9	-64.3	-87.3	0	0	0	109.8	R630 W631	R630-H645 CarbonylContact C-O 3.5Å; R630-H645 WeakPolarHBondContact CA-O 3.38Å; R630-H645 VanDerWaalsContact CG-O 3.29Å; R630-H645 WeakPolarHBondContact CG-O 3.34Å; W631-H645 HydrophobicContact CD2-CB 3.78Å; W631-H645 AromaticContact CE2-CG 3.89Å; W631-H645 HydrophobicContact CE3-CB 4.34Å; W631-H645 HydrophobicContact CG-CB 4.28Å; W631-H645 HydrophobicContact CH2-CB 4.06Å; W631-H645 AromaticContact CH2-CD2 3.3Å; W631-H645 WeakPolarHBondContact CH2-CD2 3.43Å; W631-H645 AromaticContact CH2-CG 3.72Å; W631-H645 AromaticContact CH2-NE2 3.9Å; W631-H645 HydrophobicContact CZ2-CB 3.43Å; W631-H645 VanDerWaalsContact CZ2-CB 3.43Å; W631-H645 AromaticContact CZ2-CD2 3.62Å; W631-H645 AromaticContact CZ2-CG 3.51Å; W631-H645 HydrophobicContact CZ3-CB 4.48Å; W631-H645 AromaticContact CZ3-CD2 3.57Å; W631-H645 PolarHBondContact N-O 2.94Å; W631-H645 PolarHBondContact O-N 3.17Å; W631-H645 VanDerWaalsContact O-O 3.13Å
646	S	95	Very high	92.9	Very high	84 Å²	84	53 Å²	53	59%	0.587	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.2	135.9	173.3	-63.1	0	0	0	0	109.1	G629	G629-S646 WeakPolarHBondContact O-CA 3.21Å
647	D	88.5	Confident	93.1	Very high	8 Å²	8	53.7 Å²	53.7	4%	0.043	31%	0.307	C	S	.	.			trans	-127.1	164.5	173.8	-79.3	-80.8	0	0	0	110.5	G629 W631 Y675 Y677 R688	G629-D647 PolarHBondContact O-N 3.3Å; G629-D647 VanDerWaalsContact O-N 3.1Å; W631-D647 PolarHBondContact NE1-OD2 3.47Å; D647-Y675 HydrophobicContact CB-CD1 3.84Å; D647-Y675 HydrophobicContact CB-CD2 3.82Å; D647-Y675 HydrophobicContact CB-CE1 3.99Å; D647-Y675 HydrophobicContact CB-CE2 3.98Å; D647-Y675 HydrophobicContact CB-CG 3.75Å; D647-Y675 WeakPolarHBondContact OD1-CD1 3.45Å; D647-Y677 VanDerWaalsContact CG-OH 3.22Å; D647-Y677 PolarHBondContact OD1-OH 2.94Å; D647-Y677 VanDerWaalsContact OD1-OH 3.12Å; D647-Y677 VanDerWaalsContact OD2-CE2 3.26Å; D647-Y677 WeakPolarHBondContact OD2-CE2 3.11Å; D647-Y677 VanDerWaalsContact OD2-CZ 3.29Å; D647-Y677 PolarHBondContact OD2-OH 3.04Å; D647-R688 WeakPolarHBondContact OD1-CD 3.47Å; D647-R688 IonicContact OD1-CZ 3.96Å; D647-R688 IonicContact OD1-NH1 2.73Å; D647-R688 PolarHBondContact OD1-NH1 2.91Å
648	G	72.1	Confident	93.4	Very high	36 Å²	36	49.7 Å²	49.7	37%	0.371	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	-150.4	177.8	0	0	0	0	0	115.2	D671 Y675	G648-D671 WeakPolarHBondContact CA-OD2 3.21Å; G648-Y675 WeakPolarHBondContact CA-OH 3.15Å; G648-Y675 PolarHBondContact N-OH 3.2Å
649	L	79.4	Confident	93.6	Very high	156 Å²	156	44.8 Å²	44.8	82%	0.817	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	24.8	-173.6	-63.8	175	0	0	0	112.9	E651	L649-E651 VanDerWaalsContact C-N 3.29Å; L649-E651 HydrophobicContact CB-CG 4.47Å
650	G	88.9	Confident	93.7	Very high	44 Å²	44	43.6 Å²	43.6	45%	0.454	26%	0.263	S	S	.	.	S	Bend	trans	80.3	9.8	-171.2	0	0	0	0	0	114	T628	T628-G650 CarbonylContact C-O 3.54Å; T628-G650 WeakPolarHBondContact CA-O 3.41Å; T628-G650 CarbonylContact O-C 3.58Å; T628-G650 WeakPolarHBondContact O-CA 3.29Å
651	E	94.5	Very high	93.6	Very high	93 Å²	93	42.1 Å²	42.1	44%	0.435	26%	0.257	S	S	.	.			trans	-76.3	145.1	177.4	-69.1	-65.3	164.9	0	0	111.6	G629 L649 I653 R670 D671	G629-E651 WeakPolarHBondContact CA-O 3.27Å; G629-E651 PolarHBondContact N-O 2.85Å; G629-E651 VanDerWaalsContact N-O 3.11Å; L649-E651 VanDerWaalsContact C-N 3.29Å; L649-E651 HydrophobicContact CB-CG 4.47Å; E651-I653 PolarHBondContact O-N 2.87Å; E651-R670 HydrophobicContact CB-CB 4.17Å; E651-D671 HydrophobicContact CB-CB 4.19Å; E651-D671 HydrophobicContact CG-CB 4.18Å
652	Q	96	Very high	93.5	Very high	23 Å²	23	38.2 Å²	38.2	11%	0.107	24%	0.238	C	C	.	.			trans	-52.7	136.2	-177.1	173.3	165.6	-64.7	0	0	113.7	H567 E654 R670	H567-Q652 HydrophobicContact CB-CG 4.2Å; H567-Q652 PolarHBondContact CD2-NE2 2.53Å; H567-Q652 PolarHBondContact CE1-NE2 2.73Å; H567-Q652 VanDerWaalsContact CG-NE2 3.29Å; H567-Q652 PolarHBondContact ND1-NE2 2.99Å; H567-Q652 VanDerWaalsContact ND1-NE2 3.14Å; H567-Q652 PolarHBondContact NE2-NE2 2.86Å; Q652-E654 PolarHBondContact NE2-OE2 2.7Å; Q652-E654 PolarHBondContact O-N 3.49Å; Q652-R670 HydrophobicContact CB-CG 4.08Å; Q652-R670 PolarHBondContact O-N 3.11Å
653	I	97.9	Very high	93.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	110.6	166.8	-50.7	-56.8	0	0	0	107.7	C568 T626 E651 V656 L667	C568-I653 PolarHBondContact SG-O 3.26Å; T626-I653 PolarHBondContact O-N 2.98Å; E651-I653 PolarHBondContact O-N 2.87Å; I653-V656 HydrophobicContact CG2-CG1 3.57Å; I653-L667 HydrophobicContact CG2-CB 4.31Å
654	E	96.8	Very high	93.7	Very high	18 Å²	18	41.1 Å²	41.1	8%	0.084	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-40.2	-172.4	-159.4	68.6	-172.1	0	0	112.4	H567 C568 Q652 G668 R670 I699	H567-E654 PolarHBondContact CD2-O 3.27Å; H567-E654 IonicContact CD2-OE2 3.88Å; H567-E654 IonicContact CE1-OE1 3.43Å; H567-E654 VanDerWaalsContact NE2-CD 3.27Å; H567-E654 IonicContact NE2-OE1 3.77Å; H567-E654 PolarHBondContact NE2-OE1 3.29Å; H567-E654 VanDerWaalsContact NE2-OE1 3.1Å; H567-E654 IonicContact NE2-OE2 2.82Å; H567-E654 PolarHBondContact NE2-OE2 2.88Å; C568-E654 WeakPolarHBondContact CB-O 3.27Å; Q652-E654 PolarHBondContact NE2-OE2 2.7Å; Q652-E654 PolarHBondContact O-N 3.49Å; E654-G668 PolarHBondContact N-O 2.89Å; E654-R670 VanDerWaalsContact CD-NH2 3.27Å; E654-R670 IonicContact OE1-CZ 3.51Å; E654-R670 IonicContact OE1-NE 2.74Å; E654-R670 IonicContact OE1-NH2 3.71Å; E654-R670 PolarHBondContact OE1-NH2 3.09Å; E654-R670 IonicContact OE2-CZ 2.93Å; E654-R670 IonicContact OE2-NE 3.83Å; E654-R670 PolarHBondContact OE2-NE 3.15Å; E654-R670 IonicContact OE2-NH2 3.44Å; E654-R670 PolarHBondContact OE2-NH2 3.25Å; E654-R670 VanDerWaalsContact OE2-NH2 3.14Å; E654-I699 WeakPolarHBondContact CB-O 3.46Å; E654-I699 VanDerWaalsContact CG-O 3.26Å; E654-I699 WeakPolarHBondContact CG-O 3.28Å
655	C	98	Very high	93.8	Very high	17 Å²	17	38.6 Å²	38.6	12%	0.115	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	152.5	179.8	57.5	0	0	0	0	111.6	G668 L700	C655-G668 PolarHBondContact N-O 3.01Å; C655-G668 PolarHBondContact O-N 2.84Å; C655-L700 PolarHBondContact SG-O 2.9Å
656	V	98.2	Very high	93.9	Very high	16 Å²	16	36.1 Å²	36.1	10%	0.097	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	139.9	179.8	-64.7	0	0	0	0	109.9	C568 A569 A570 V623 I653 A666 L667	C568-V656 HydrophobicContact CB-CG2 4.34Å; A569-V656 VanDerWaalsContact C-CG2 3.45Å; A570-V656 HydrophobicContact CB-CG2 4Å; V623-V656 HydrophobicContact CG1-CB 4.11Å; V623-V656 HydrophobicContact CG1-CG2 3.84Å; I653-V656 HydrophobicContact CG2-CG1 3.57Å; V656-A666 WeakPolarHBondContact CA-O 3.47Å; V656-L667 HydrophobicContact CB-CD2 4.05Å; V656-L667 HydrophobicContact CG1-CD2 3.37Å
657	A	98.2	Very high	94.1	Very high	17 Å²	17	32.1 Å²	32.1	14%	0.14	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	130	178.2	0	0	0	0	0	111.6	A666 I702 W704	A657-A666 PolarHBondContact N-O 3.14Å; A657-A666 PolarHBondContact O-N 2.93Å; A657-I702 HydrophobicContact CB-CG2 4.16Å; A657-W704 PolarHBondContact O-NE1 2.87Å
658	Y	97.8	Very high	94.5	Very high	21 Å²	21	31.8 Å²	31.8	8%	0.082	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	150.8	165.7	-68.8	-81.3	0	0	0	110.8	A570 F571 Y572 V623 Y664 L665 V679 Y686 W704	A570-Y658 HydrophobicContact CB-CD2 4.16Å; A570-Y658 HydrophobicContact CB-CE2 4.43Å; F571-Y658 WeakPolarHBondContact O-CD2 3.49Å; Y572-Y658 AromaticContact CD2-CD1 3.89Å; Y572-Y658 HydrophobicContact CD2-CD1 3.89Å; Y572-Y658 AromaticContact CD2-CE1 3.67Å; Y572-Y658 HydrophobicContact CD2-CE1 3.67Å; Y572-Y658 HydrophobicContact CD2-CE2 4.49Å; Y572-Y658 HydrophobicContact CD2-CG 4.4Å; Y572-Y658 AromaticContact CD2-CZ 3.99Å; Y572-Y658 HydrophobicContact CE2-CD1 4.37Å; Y572-Y658 HydrophobicContact CE2-CE1 4.35Å; V623-Y658 HydrophobicContact CB-CE2 4.13Å; V623-Y658 HydrophobicContact CG1-CD2 4.39Å; V623-Y658 HydrophobicContact CG1-CE2 3.59Å; Y658-Y664 CarbonylContact C-O 3.58Å; Y658-Y664 VanDerWaalsContact CA-O 3.29Å; Y658-Y664 WeakPolarHBondContact CA-O 3.37Å; Y658-L665 HydrophobicContact CD1-CB 3.94Å; Y658-L665 HydrophobicContact CD1-CD1 4.1Å; Y658-L665 HydrophobicContact CD2-CD1 4.48Å; Y658-L665 HydrophobicContact CE1-CB 3.99Å; Y658-L665 HydrophobicContact CE1-CD1 4.08Å; Y658-L665 HydrophobicContact CE1-CD2 4.2Å; Y658-L665 HydrophobicContact CE1-CG 4.32Å; Y658-L665 HydrophobicContact CE2-CD1 4.47Å; Y658-L665 HydrophobicContact CG-CD1 4.31Å; Y658-V679 HydrophobicContact CD1-CG2 4.12Å; Y658-V679 HydrophobicContact CE1-CG1 4.31Å; Y658-V679 HydrophobicContact CE1-CG2 4.07Å; Y658-Y686 HydrophobicContact CE1-CE1 4.04Å; Y658-Y686 PolarHBondContact OH-OH 3.27Å; Y658-Y686 VanDerWaalsContact OH-OH 3.04Å; Y658-W704 PolarHBondContact O-NE1 3.18Å
659	S	97.4	Very high	95.7	Very high	1 Å²	1	30 Å²	30	1%	0.007	17%	0.168	C	C	.	.			trans	-66.7	153.9	165.5	58.3	0	0	0	0	110.7	D661 G662 N663 Y664	S659-D661 VanDerWaalsContact CB-OD1 3.28Å; S659-D661 WeakPolarHBondContact CB-OD1 3.38Å; S659-D661 PolarHBondContact O-N 3.01Å; S659-D661 VanDerWaalsContact O-N 3.15Å; S659-D661 PolarHBondContact OG-OD1 2.93Å; S659-G662 PolarHBondContact O-N 2.95Å; S659-N663 PolarHBondContact OG-N 2.79Å; S659-Y664 PolarHBondContact N-O 3.32Å; S659-Y664 PolarHBondContact OG-N 2.86Å; S659-Y664 PolarHBondContact OG-O 2.87Å
660	P	95.3	Very high	96.5	Very high	51 Å²	51	27.3 Å²	27.3	33%	0.331	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.9	-175.1	-26.3	36.5	0	0	0	114.5	G662 A743	P660-G662 VanDerWaalsContact C-N 3.33Å; P660-A743 HydrophobicContact CG-CB 3.46Å; P660-A743 VanDerWaalsContact CG-CB 3.46Å
661	D	93.3	Very high	96.9	Very high	54 Å²	54	26.6 Å²	26.6	29%	0.289	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-6.1	176.7	67.5	-10.3	0	0	0	113.9	S659 N663	S659-D661 VanDerWaalsContact CB-OD1 3.28Å; S659-D661 WeakPolarHBondContact CB-OD1 3.38Å; S659-D661 PolarHBondContact O-N 3.01Å; S659-D661 VanDerWaalsContact O-N 3.15Å; S659-D661 PolarHBondContact OG-OD1 2.93Å; D661-N663 VanDerWaalsContact C-N 3.26Å; D661-N663 PolarHBondContact O-N 3.07Å; D661-N663 PolarHBondContact OD1-N 3.01Å; D661-N663 VanDerWaalsContact OD1-N 3.09Å; D661-N663 PolarHBondContact OD2-ND2 3.16Å
662	G	94.7	Very high	97	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	68.8	17.9	-178.2	0	0	0	0	0	115	Y572 P573 S659 P660	Y572-G662 VanDerWaalsContact CE2-O 3.24Å; Y572-G662 WeakPolarHBondContact CE2-O 3.46Å; Y572-G662 PolarHBondContact OH-O 2.83Å; P573-G662 VanDerWaalsContact CG-CA 3.48Å; S659-G662 PolarHBondContact O-N 2.95Å; P660-G662 VanDerWaalsContact C-N 3.33Å
663	N	95.8	Very high	97	Very high	71 Å²	71	24.3 Å²	24.3	38%	0.38	13%	0.125	S	C	.	.	S	Bend	trans	-93.9	-17.2	179	-69.3	-44.3	0	0	0	113.7	S659 D661 V679	S659-N663 PolarHBondContact OG-N 2.79Å; D661-N663 VanDerWaalsContact C-N 3.26Å; D661-N663 PolarHBondContact O-N 3.07Å; D661-N663 PolarHBondContact OD1-N 3.01Å; D661-N663 VanDerWaalsContact OD1-N 3.09Å; D661-N663 PolarHBondContact OD2-ND2 3.16Å; N663-V679 PolarHBondContact O-N 3.37Å
664	Y	97.7	Very high	97	Very high	49 Å²	49	24.3 Å²	24.3	19%	0.192	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	155.4	177.9	-64.6	-85.6	0	0	0	112.9	Y658 S659 V676 Y677 N678 V679 V689 W704	Y658-Y664 CarbonylContact C-O 3.58Å; Y658-Y664 VanDerWaalsContact CA-O 3.29Å; Y658-Y664 WeakPolarHBondContact CA-O 3.37Å; S659-Y664 PolarHBondContact N-O 3.32Å; S659-Y664 PolarHBondContact OG-N 2.86Å; S659-Y664 PolarHBondContact OG-O 2.87Å; Y664-V676 HydrophobicContact CD1-CG1 4.02Å; Y664-Y677 CarbonylContact C-O 3.52Å; Y664-Y677 WeakPolarHBondContact CA-O 3.5Å; Y664-N678 WeakPolarHBondContact CE1-OD1 3.49Å; Y664-V679 VanDerWaalsContact C-CG2 3.44Å; Y664-V689 HydrophobicContact CD1-CG2 4.18Å; Y664-V689 HydrophobicContact CE1-CG2 3.92Å; Y664-W704 HydrophobicContact CD2-CH2 4.44Å; Y664-W704 HydrophobicContact CD2-CZ3 4.47Å; Y664-W704 AromaticContact CG-CH2 3.9Å; Y664-W704 HydrophobicContact CG-CH2 3.9Å; Y664-W704 HydrophobicContact CG-CZ3 4.37Å
665	L	98.1	Very high	97.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	127.9	170.9	169.4	62	0	0	0	108.6	V623 W631 Y658 L667 V676 Y677 V679 Y686	V623-L665 HydrophobicContact CG1-CD1 4.03Å; V623-L665 HydrophobicContact CG2-CD2 4.16Å; W631-L665 HydrophobicContact CE3-CD2 4.3Å; W631-L665 HydrophobicContact CH2-CD2 4.04Å; W631-L665 HydrophobicContact CZ3-CD2 3.76Å; Y658-L665 HydrophobicContact CD1-CB 3.94Å; Y658-L665 HydrophobicContact CD1-CD1 4.1Å; Y658-L665 HydrophobicContact CD2-CD1 4.48Å; Y658-L665 HydrophobicContact CE1-CB 3.99Å; Y658-L665 HydrophobicContact CE1-CD1 4.08Å; Y658-L665 HydrophobicContact CE1-CD2 4.2Å; Y658-L665 HydrophobicContact CE1-CG 4.32Å; Y658-L665 HydrophobicContact CE2-CD1 4.47Å; Y658-L665 HydrophobicContact CG-CD1 4.31Å; L665-L667 HydrophobicContact CD1-CD2 3.9Å; L665-L667 HydrophobicContact CD2-CD2 4Å; L665-L667 HydrophobicContact CG-CD2 3.85Å; L665-L667 HydrophobicContact CG-CG 4.32Å; L665-V676 WeakPolarHBondContact O-CA 3.34Å; L665-Y677 PolarHBondContact N-O 2.98Å; L665-Y677 PolarHBondContact O-N 3.06Å; L665-V679 HydrophobicContact CB-CG2 3.64Å; L665-Y686 HydrophobicContact CB-CE1 4.38Å; L665-Y686 HydrophobicContact CD2-CD1 3.86Å; L665-Y686 HydrophobicContact CD2-CE1 3.63Å
666	A	98.5	Very high	97.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.5	172.6	0	0	0	0	0	110.5	V656 A657 I674 Y675 I702 W704 I711	V656-A666 WeakPolarHBondContact CA-O 3.47Å; A657-A666 PolarHBondContact N-O 3.14Å; A657-A666 PolarHBondContact O-N 2.93Å; A666-I674 HydrophobicContact CB-CG2 4.05Å; A666-Y675 CarbonylContact C-O 3.5Å; A666-Y675 WeakPolarHBondContact CA-O 3.48Å; A666-I702 HydrophobicContact CB-CD1 4.34Å; A666-I702 HydrophobicContact CB-CG2 4.03Å; A666-W704 HydrophobicContact CB-CZ2 3.64Å; A666-I711 HydrophobicContact CB-CD1 4.04Å
667	L	98.3	Very high	97.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	113.2	-179.4	-48	168.7	0	0	0	108.8	W631 I653 V656 L665 I674 Y675 Y677	W631-L667 HydrophobicContact CD2-CD1 3.86Å; W631-L667 HydrophobicContact CD2-CD2 4.49Å; W631-L667 VanDerWaalsContact CE2-CD1 3.42Å; W631-L667 HydrophobicContact CG-CD1 3.93Å; W631-L667 HydrophobicContact CZ2-CD1 3.98Å; I653-L667 HydrophobicContact CG2-CB 4.31Å; V656-L667 HydrophobicContact CB-CD2 4.05Å; V656-L667 HydrophobicContact CG1-CD2 3.37Å; L665-L667 HydrophobicContact CD1-CD2 3.9Å; L665-L667 HydrophobicContact CD2-CD2 4Å; L665-L667 HydrophobicContact CG-CD2 3.85Å; L665-L667 HydrophobicContact CG-CG 4.32Å; L667-I674 CarbonylContact O-C 3.6Å; L667-I674 VanDerWaalsContact O-CA 3.27Å; L667-I674 WeakPolarHBondContact O-CA 3.32Å; L667-Y675 PolarHBondContact N-O 3.04Å; L667-Y675 PolarHBondContact O-N 2.82Å; L667-Y677 HydrophobicContact CD1-CD2 4.07Å; L667-Y677 HydrophobicContact CD1-CE2 3.92Å
668	G	98.1	Very high	97.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	124.9	175.4	0	0	0	0	0	110.8	E654 C655 I702	E654-G668 PolarHBondContact N-O 2.89Å; C655-G668 PolarHBondContact N-O 3.01Å; C655-G668 PolarHBondContact O-N 2.84Å; G668-I702 VanDerWaalsContact N-CD1 3.34Å
669	S	97.5	Very high	97	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	158.3	-173.5	172.8	0	0	0	0	112.8	D671 N672 V673 I699	S669-D671 WeakPolarHBondContact CB-OD1 3.28Å; S669-D671 PolarHBondContact O-N 2.97Å; S669-D671 PolarHBondContact OG-N 3.37Å; S669-D671 PolarHBondContact OG-OD1 2.97Å; S669-N672 PolarHBondContact O-N 2.93Å; S669-V673 PolarHBondContact N-O 3.03Å; S669-I699 PolarHBondContact O-N 2.97Å
670	R	96.4	Very high	96.9	Very high	98 Å²	98	27.4 Å²	27.4	37%	0.37	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-6.5	170.4	-69.1	-160.3	177.6	-138.2	-10.5	114.5	E651 Q652 E654 N672 F698	E651-R670 HydrophobicContact CB-CB 4.17Å; Q652-R670 HydrophobicContact CB-CG 4.08Å; Q652-R670 PolarHBondContact O-N 3.11Å; E654-R670 VanDerWaalsContact CD-NH2 3.27Å; E654-R670 IonicContact OE1-CZ 3.51Å; E654-R670 IonicContact OE1-NE 2.74Å; E654-R670 IonicContact OE1-NH2 3.71Å; E654-R670 PolarHBondContact OE1-NH2 3.09Å; E654-R670 IonicContact OE2-CZ 2.93Å; E654-R670 IonicContact OE2-NE 3.83Å; E654-R670 PolarHBondContact OE2-NE 3.15Å; E654-R670 IonicContact OE2-NH2 3.44Å; E654-R670 PolarHBondContact OE2-NH2 3.25Å; E654-R670 VanDerWaalsContact OE2-NH2 3.14Å; R670-N672 PolarHBondContact O-N 3.45Å; R670-N672 PolarHBondContact O-OD1 2.96Å; R670-F698 HydrophobicContact CB-CB 4.19Å; R670-F698 HydrophobicContact CG-CB 4.11Å
671	D	95.6	Very high	96.7	Very high	30 Å²	30	30.6 Å²	30.6	16%	0.16	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	9.3	169.4	71.7	3.6	0	0	0	114.5	G648 E651 S669 V673 Y675	G648-D671 WeakPolarHBondContact CA-OD2 3.21Å; E651-D671 HydrophobicContact CB-CB 4.19Å; E651-D671 HydrophobicContact CG-CB 4.18Å; S669-D671 WeakPolarHBondContact CB-OD1 3.28Å; S669-D671 PolarHBondContact O-N 2.97Å; S669-D671 PolarHBondContact OG-N 3.37Å; S669-D671 PolarHBondContact OG-OD1 2.97Å; D671-V673 VanDerWaalsContact C-N 3.28Å; D671-V673 PolarHBondContact O-N 3.19Å; D671-V673 WeakPolarHBondContact OD1-CB 3.45Å; D671-V673 PolarHBondContact OD1-N 3.03Å; D671-Y675 WeakPolarHBondContact OD2-CE2 3.43Å; D671-Y675 PolarHBondContact OD2-OH 3.46Å
672	N	96.7	Very high	96.5	Very high	52 Å²	52	35.3 Å²	35.3	28%	0.278	16%	0.161	S	C	.	.	S	Bend	trans	70.5	10.9	-177.2	-47	-5.6	0	0	0	115.1	S669 R670 T696 S697 F698	S669-N672 PolarHBondContact O-N 2.93Å; R670-N672 PolarHBondContact O-N 3.45Å; R670-N672 PolarHBondContact O-OD1 2.96Å; N672-T696 VanDerWaalsContact ND2-C 3.25Å; N672-T696 PolarHBondContact ND2-O 2.71Å; N672-S697 WeakPolarHBondContact CB-O 3.24Å; N672-S697 VanDerWaalsContact CG-O 3.31Å; N672-S697 PolarHBondContact ND2-N 3.31Å; N672-S697 PolarHBondContact OD1-O 3.32Å; N672-F698 PolarHBondContact OD1-N 3.42Å
673	V	97.4	Very high	96.4	Very high	16 Å²	16	35.3 Å²	35.3	10%	0.097	16%	0.161	C	C	.	.			trans	-108.4	148	-177.2	-176.5	0	0	0	0	111	S669 D671 Y675 R691	S669-V673 PolarHBondContact N-O 3.03Å; D671-V673 VanDerWaalsContact C-N 3.28Å; D671-V673 PolarHBondContact O-N 3.19Å; D671-V673 WeakPolarHBondContact OD1-CB 3.45Å; D671-V673 PolarHBondContact OD1-N 3.03Å; V673-Y675 HydrophobicContact CB-CD2 4.48Å; V673-Y675 HydrophobicContact CB-CE2 3.76Å; V673-Y675 HydrophobicContact CG1-CD1 4.31Å; V673-Y675 HydrophobicContact CG1-CD2 4.2Å; V673-Y675 HydrophobicContact CG1-CE1 3.91Å; V673-Y675 HydrophobicContact CG1-CE2 3.78Å; V673-Y675 HydrophobicContact CG1-CG 4.44Å; V673-R691 HydrophobicContact CG1-CB 3.62Å; V673-R691 HydrophobicContact CG1-CG 4.43Å
674	I	98.3	Very high	96.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	119.9	164.1	-52.9	168.6	0	0	0	108.6	A666 L667 V676 R691 C692 I699 I702 S713	A666-I674 HydrophobicContact CB-CG2 4.05Å; L667-I674 CarbonylContact O-C 3.6Å; L667-I674 VanDerWaalsContact O-CA 3.27Å; L667-I674 WeakPolarHBondContact O-CA 3.32Å; I674-V676 HydrophobicContact CG2-CG2 4.46Å; I674-R691 CarbonylContact O-C 3.45Å; I674-R691 VanDerWaalsContact O-CA 3.32Å; I674-R691 WeakPolarHBondContact O-CA 3.25Å; I674-C692 HydrophobicContact CB-CB 4.03Å; I674-C692 PolarHBondContact N-O 3.3Å; I674-C692 PolarHBondContact O-N 3.4Å; I674-I699 HydrophobicContact CD1-CD1 4.26Å; I674-I699 HydrophobicContact CD1-CG2 4.31Å; I674-I699 HydrophobicContact CG1-CD1 3.89Å; I674-I699 HydrophobicContact CG1-CG1 3.81Å; I674-I699 HydrophobicContact CG1-CG2 4.17Å; I674-I702 HydrophobicContact CB-CD1 4.42Å; I674-I702 HydrophobicContact CD1-CD1 4.06Å; I674-I702 HydrophobicContact CD1-CG1 4.12Å; I674-I702 HydrophobicContact CG1-CD1 4.01Å; I674-I702 HydrophobicContact CG2-CD1 3.61Å; I674-S713 VanDerWaalsContact CD1-CB 3.42Å; I674-S713 WeakPolarHBondContact CD1-OG 3.27Å
675	Y	98.1	Very high	96.2	Very high	12 Å²	12	37.3 Å²	37.3	5%	0.047	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	130.9	176.1	-61.4	-86.3	0	0	0	109.2	D647 G648 A666 L667 D671 V673 R691	D647-Y675 HydrophobicContact CB-CD1 3.84Å; D647-Y675 HydrophobicContact CB-CD2 3.82Å; D647-Y675 HydrophobicContact CB-CE1 3.99Å; D647-Y675 HydrophobicContact CB-CE2 3.98Å; D647-Y675 HydrophobicContact CB-CG 3.75Å; D647-Y675 WeakPolarHBondContact OD1-CD1 3.45Å; G648-Y675 WeakPolarHBondContact CA-OH 3.15Å; G648-Y675 PolarHBondContact N-OH 3.2Å; A666-Y675 CarbonylContact C-O 3.5Å; A666-Y675 WeakPolarHBondContact CA-O 3.48Å; L667-Y675 PolarHBondContact N-O 3.04Å; L667-Y675 PolarHBondContact O-N 2.82Å; D671-Y675 WeakPolarHBondContact OD2-CE2 3.43Å; D671-Y675 PolarHBondContact OD2-OH 3.46Å; V673-Y675 HydrophobicContact CB-CD2 4.48Å; V673-Y675 HydrophobicContact CB-CE2 3.76Å; V673-Y675 HydrophobicContact CG1-CD1 4.31Å; V673-Y675 HydrophobicContact CG1-CD2 4.2Å; V673-Y675 HydrophobicContact CG1-CE1 3.91Å; V673-Y675 HydrophobicContact CG1-CE2 3.78Å; V673-Y675 HydrophobicContact CG1-CG 4.44Å; Y675-R691 HydrophobicContact CD1-CB 4.27Å; Y675-R691 HydrophobicContact CE1-CB 4.37Å
676	V	98.4	Very high	96.2	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.3	-179.2	-175.2	0	0	0	0	109.6	Y664 L665 I674 R688 V689 G690 W704 I711	Y664-V676 HydrophobicContact CD1-CG1 4.02Å; L665-V676 WeakPolarHBondContact O-CA 3.34Å; I674-V676 HydrophobicContact CG2-CG2 4.46Å; V676-R688 WeakPolarHBondContact O-CG 3.03Å; V676-V689 HydrophobicContact CB-CB 4.42Å; V676-V689 HydrophobicContact CG1-CB 4.3Å; V676-V689 HydrophobicContact CG1-CG2 4.35Å; V676-V689 WeakPolarHBondContact O-CB 3.23Å; V676-V689 PolarHBondContact O-N 3.47Å; V676-G690 PolarHBondContact N-O 2.75Å; V676-G690 PolarHBondContact O-N 3.1Å; V676-W704 HydrophobicContact CG1-CH2 4.43Å; V676-I711 HydrophobicContact CG2-CD1 4Å
677	Y	98.2	Very high	96.1	Very high	15 Å²	15	41.7 Å²	41.7	6%	0.059	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139.2	-179	-79.4	-96.6	0	0	0	110.9	W631 D647 Y664 L665 L667 N687 R688	W631-Y677 HydrophobicContact CH2-CD1 4.38Å; W631-Y677 HydrophobicContact CH2-CE1 4.45Å; W631-Y677 HydrophobicContact CH2-CG 4.43Å; W631-Y677 HydrophobicContact CZ2-CD1 4.14Å; W631-Y677 AromaticContact CZ2-CD2 3.96Å; W631-Y677 HydrophobicContact CZ2-CD2 3.96Å; W631-Y677 AromaticContact CZ2-CE1 3.86Å; W631-Y677 HydrophobicContact CZ2-CE1 3.86Å; W631-Y677 AromaticContact CZ2-CE2 3.66Å; W631-Y677 HydrophobicContact CZ2-CE2 3.66Å; W631-Y677 HydrophobicContact CZ2-CG 4.2Å; W631-Y677 AromaticContact CZ2-CZ 3.61Å; D647-Y677 VanDerWaalsContact CG-OH 3.22Å; D647-Y677 PolarHBondContact OD1-OH 2.94Å; D647-Y677 VanDerWaalsContact OD1-OH 3.12Å; D647-Y677 VanDerWaalsContact OD2-CE2 3.26Å; D647-Y677 WeakPolarHBondContact OD2-CE2 3.11Å; D647-Y677 VanDerWaalsContact OD2-CZ 3.29Å; D647-Y677 PolarHBondContact OD2-OH 3.04Å; Y664-Y677 CarbonylContact C-O 3.52Å; Y664-Y677 WeakPolarHBondContact CA-O 3.5Å; L665-Y677 PolarHBondContact N-O 2.98Å; L665-Y677 PolarHBondContact O-N 3.06Å; L667-Y677 HydrophobicContact CD1-CD2 4.07Å; L667-Y677 HydrophobicContact CD1-CE2 3.92Å; Y677-N687 CarbonylContact C-O 3.52Å; Y677-N687 WeakPolarHBondContact CA-O 3.41Å; Y677-N687 VanDerWaalsContact CD1-C 3.47Å; Y677-R688 VanDerWaalsContact CD1-CA 3.48Å; Y677-R688 HydrophobicContact CD1-CB 3.92Å; Y677-R688 HydrophobicContact CD1-CG 4.34Å; Y677-R688 VanDerWaalsContact CD1-N 3.33Å; Y677-R688 HydrophobicContact CD2-CG 4.25Å; Y677-R688 HydrophobicContact CE1-CB 3.49Å; Y677-R688 VanDerWaalsContact CE1-CB 3.49Å; Y677-R688 HydrophobicContact CE1-CG 3.94Å; Y677-R688 HydrophobicContact CE2-CB 4.34Å; Y677-R688 HydrophobicContact CE2-CG 3.84Å; Y677-R688 HydrophobicContact CG-CB 4.49Å; Y677-R688 HydrophobicContact CG-CG 4.47Å
678	N	97.3	Very high	96	Very high	56 Å²	56	48.3 Å²	48.3	30%	0.299	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	132.2	159.9	-76.1	-27.2	0	0	0	107.4	Y664 Y686 N687 V689	Y664-N678 WeakPolarHBondContact CE1-OD1 3.49Å; N678-Y686 WeakPolarHBondContact O-CA 3.48Å; N678-N687 HydrophobicContact CB-CB 4.41Å; N678-N687 PolarHBondContact N-O 3.49Å; N678-N687 PolarHBondContact O-N 3.41Å; N678-V689 HydrophobicContact CB-CG2 4.2Å; N678-V689 VanDerWaalsContact CG-CG2 3.44Å; N678-V689 WeakPolarHBondContact OD1-CG2 3.46Å
679	V	96.2	Very high	95.9	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.03	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	114.3	178.1	-172.4	0	0	0	0	107.9	Y572 Y658 N663 Y664 L665 Y686	Y572-V679 HydrophobicContact CD2-CG1 4.25Å; Y572-V679 HydrophobicContact CE2-CG1 3.64Å; Y658-V679 HydrophobicContact CD1-CG2 4.12Å; Y658-V679 HydrophobicContact CE1-CG1 4.31Å; Y658-V679 HydrophobicContact CE1-CG2 4.07Å; N663-V679 PolarHBondContact O-N 3.37Å; Y664-V679 VanDerWaalsContact C-CG2 3.44Å; L665-V679 HydrophobicContact CB-CG2 3.64Å; V679-Y686 HydrophobicContact CB-CE1 4.19Å; V679-Y686 HydrophobicContact CG1-CD1 4.39Å; V679-Y686 HydrophobicContact CG1-CE1 3.7Å; V679-Y686 HydrophobicContact CG2-CD1 3.92Å; V679-Y686 HydrophobicContact CG2-CE1 3.62Å
680	L	94.3	Very high	95.9	Very high	66 Å²	66	51.3 Å²	51.3	35%	0.346	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	165.9	-173.7	-58.4	177.5	0	0	0	109.9	R682 G683 Y684 K685 N687	L680-R682 PolarHBondContact O-N 2.95Å; L680-R682 VanDerWaalsContact O-N 3.14Å; L680-G683 PolarHBondContact O-N 3.18Å; L680-G683 VanDerWaalsContact O-N 3.12Å; L680-Y684 PolarHBondContact O-N 3.48Å; L680-K685 HydrophobicContact CB-CB 4.13Å; L680-K685 HydrophobicContact CB-CD 4.38Å; L680-K685 HydrophobicContact CB-CG 4.38Å; L680-K685 HydrophobicContact CD1-CD 4.49Å; L680-K685 PolarHBondContact N-O 3.17Å; L680-K685 PolarHBondContact O-N 2.91Å; L680-N687 WeakPolarHBondContact CD1-ND2 3.32Å
681	E	92.3	Very high	96	Very high	119 Å²	119	54 Å²	54	56%	0.556	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	54.5	37.7	172.6	-62.3	171.2	-152.8	0	0	112.3	G683 Y684 K685	E681-G683 PolarHBondContact O-N 2.6Å; E681-Y684 WeakPolarHBondContact O-CB 3.43Å; E681-Y684 WeakPolarHBondContact O-CD2 3.36Å; E681-Y684 PolarHBondContact O-N 2.85Å; E681-K685 HydrophobicContact CB-CB 4.27Å; E681-K685 VanDerWaalsContact CD-CD 3.44Å; E681-K685 HydrophobicContact CG-CB 4.46Å; E681-K685 HydrophobicContact CG-CD 4.29Å; E681-K685 WeakPolarHBondContact OE1-CD 3.41Å; E681-K685 WeakPolarHBondContact OE1-CE 3.41Å; E681-K685 IonicContact OE1-NZ 3.25Å; E681-K685 PolarHBondContact OE1-NZ 3.04Å
682	R	89.6	Confident	96.1	Very high	152 Å²	152	52.6 Å²	52.6	57%	0.574	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	57.8	42.2	-178.1	-52.4	-169.1	159.8	156.2	-0.2	114.5	Y572 L680	Y572-R682 HydrophobicContact CE1-CB 4.48Å; Y572-R682 WeakPolarHBondContact CE1-O 3.47Å; L680-R682 PolarHBondContact O-N 2.95Å; L680-R682 VanDerWaalsContact O-N 3.14Å
683	G	92.5	Very high	96.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	90.1	3.6	178.8	0	0	0	0	0	114.6	L621 L680 E681 Y686	L621-G683 WeakPolarHBondContact CD1-O 3.09Å; L680-G683 PolarHBondContact O-N 3.18Å; L680-G683 VanDerWaalsContact O-N 3.12Å; E681-G683 PolarHBondContact O-N 2.6Å; G683-Y686 WeakPolarHBondContact CA-OH 3.4Å; G683-Y686 WeakPolarHBondContact O-CE2 3.37Å; G683-Y686 PolarHBondContact O-OH 2.69Å
684	Y	93.7	Very high	96	Very high	76 Å²	76	54.4 Å²	54.4	30%	0.298	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-15.2	176.2	-83.7	-93.3	0	0	0	114.3	D619 L621 N635 I642 L680 E681	D619-Y684 HydrophobicContact CB-CE2 4.26Å; D619-Y684 WeakPolarHBondContact CB-OH 3.18Å; D619-Y684 PolarHBondContact OD2-OH 3.06Å; L621-Y684 HydrophobicContact CD1-CD2 3.99Å; L621-Y684 HydrophobicContact CD1-CE2 3.87Å; L621-Y684 HydrophobicContact CD2-CE2 4.44Å; N635-Y684 PolarHBondContact ND2-OH 3.03Å; I642-Y684 HydrophobicContact CD1-CE1 3.8Å; I642-Y684 HydrophobicContact CG1-CE1 4.17Å; I642-Y684 HydrophobicContact CG2-CD1 3.45Å; I642-Y684 VanDerWaalsContact CG2-CD1 3.45Å; I642-Y684 HydrophobicContact CG2-CE1 3.78Å; I642-Y684 HydrophobicContact CG2-CG 4.24Å; L680-Y684 PolarHBondContact O-N 3.48Å; E681-Y684 WeakPolarHBondContact O-CB 3.43Å; E681-Y684 WeakPolarHBondContact O-CD2 3.36Å; E681-Y684 PolarHBondContact O-N 2.85Å
685	K	95.2	Very high	95.9	Very high	87 Å²	87	55 Å²	55	38%	0.378	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	139.4	-172.1	-176.6	178.4	-170.1	177.2	0	112.7	L680 E681	L680-K685 HydrophobicContact CB-CB 4.13Å; L680-K685 HydrophobicContact CB-CD 4.38Å; L680-K685 HydrophobicContact CB-CG 4.38Å; L680-K685 HydrophobicContact CD1-CD 4.49Å; L680-K685 PolarHBondContact N-O 3.17Å; L680-K685 PolarHBondContact O-N 2.91Å; E681-K685 HydrophobicContact CB-CB 4.27Å; E681-K685 VanDerWaalsContact CD-CD 3.44Å; E681-K685 HydrophobicContact CG-CB 4.46Å; E681-K685 HydrophobicContact CG-CD 4.29Å; E681-K685 WeakPolarHBondContact OE1-CD 3.41Å; E681-K685 WeakPolarHBondContact OE1-CE 3.41Å; E681-K685 IonicContact OE1-NZ 3.25Å; E681-K685 PolarHBondContact OE1-NZ 3.04Å
686	Y	97.2	Very high	95.7	Very high	13 Å²	13	58.7 Å²	58.7	5%	0.051	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	123.5	-172.3	-63.5	-94.3	0	0	0	111	W631 V633 A643 Y658 L665 N678 V679 G683	W631-Y686 AromaticContact CH2-CD1 3.78Å; W631-Y686 HydrophobicContact CH2-CD1 3.78Å; W631-Y686 HydrophobicContact CH2-CD2 4.33Å; W631-Y686 AromaticContact CH2-CG 3.69Å; W631-Y686 HydrophobicContact CH2-CG 3.69Å; W631-Y686 HydrophobicContact CZ3-CD1 4.08Å; W631-Y686 HydrophobicContact CZ3-CD2 4.39Å; W631-Y686 HydrophobicContact CZ3-CE1 4.39Å; W631-Y686 HydrophobicContact CZ3-CG 4.1Å; V633-Y686 HydrophobicContact CB-CE2 4.29Å; V633-Y686 HydrophobicContact CG1-CE2 4.33Å; V633-Y686 HydrophobicContact CG2-CD2 4.3Å; V633-Y686 HydrophobicContact CG2-CE1 4.49Å; V633-Y686 HydrophobicContact CG2-CE2 3.6Å; A643-Y686 HydrophobicContact CB-CD2 4.42Å; Y658-Y686 HydrophobicContact CE1-CE1 4.04Å; Y658-Y686 PolarHBondContact OH-OH 3.27Å; Y658-Y686 VanDerWaalsContact OH-OH 3.04Å; L665-Y686 HydrophobicContact CB-CE1 4.38Å; L665-Y686 HydrophobicContact CD2-CD1 3.86Å; L665-Y686 HydrophobicContact CD2-CE1 3.63Å; N678-Y686 WeakPolarHBondContact O-CA 3.48Å; V679-Y686 HydrophobicContact CB-CE1 4.19Å; V679-Y686 HydrophobicContact CG1-CD1 4.39Å; V679-Y686 HydrophobicContact CG1-CE1 3.7Å; V679-Y686 HydrophobicContact CG2-CD1 3.92Å; V679-Y686 HydrophobicContact CG2-CE1 3.62Å; G683-Y686 WeakPolarHBondContact CA-OH 3.4Å; G683-Y686 WeakPolarHBondContact O-CE2 3.37Å; G683-Y686 PolarHBondContact O-OH 2.69Å
687	N	96.4	Very high	95.6	Very high	78 Å²	78	59.9 Å²	59.9	42%	0.417	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122.3	176	-74.3	-7.7	0	0	0	109.3	Y677 N678 L680 V689	Y677-N687 CarbonylContact C-O 3.52Å; Y677-N687 WeakPolarHBondContact CA-O 3.41Å; Y677-N687 VanDerWaalsContact CD1-C 3.47Å; N678-N687 HydrophobicContact CB-CB 4.41Å; N678-N687 PolarHBondContact N-O 3.49Å; N678-N687 PolarHBondContact O-N 3.41Å; L680-N687 WeakPolarHBondContact CD1-ND2 3.32Å; N687-V689 PolarHBondContact O-N 3.14Å
688	R	96.8	Very high	95.4	Very high	139 Å²	139	62.4 Å²	62.4	53%	0.525	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	123.8	-177.7	-158.1	171.4	73.9	-172.5	0.7	111.1	D647 V676 Y677	D647-R688 WeakPolarHBondContact OD1-CD 3.47Å; D647-R688 IonicContact OD1-CZ 3.96Å; D647-R688 IonicContact OD1-NH1 2.73Å; D647-R688 PolarHBondContact OD1-NH1 2.91Å; V676-R688 WeakPolarHBondContact O-CG 3.03Å; Y677-R688 VanDerWaalsContact CD1-CA 3.48Å; Y677-R688 HydrophobicContact CD1-CB 3.92Å; Y677-R688 HydrophobicContact CD1-CG 4.34Å; Y677-R688 VanDerWaalsContact CD1-N 3.33Å; Y677-R688 HydrophobicContact CD2-CG 4.25Å; Y677-R688 HydrophobicContact CE1-CB 3.49Å; Y677-R688 VanDerWaalsContact CE1-CB 3.49Å; Y677-R688 HydrophobicContact CE1-CG 3.94Å; Y677-R688 HydrophobicContact CE2-CB 4.34Å; Y677-R688 HydrophobicContact CE2-CG 3.84Å; Y677-R688 HydrophobicContact CG-CB 4.49Å; Y677-R688 HydrophobicContact CG-CG 4.47Å
689	V	96.9	Very high	95.5	Very high	45 Å²	45	59.7 Å²	59.7	27%	0.273	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-49.9	173	178	0	0	0	0	109.2	Y664 V676 N678 N687 F726	Y664-V689 HydrophobicContact CD1-CG2 4.18Å; Y664-V689 HydrophobicContact CE1-CG2 3.92Å; V676-V689 HydrophobicContact CB-CB 4.42Å; V676-V689 HydrophobicContact CG1-CB 4.3Å; V676-V689 HydrophobicContact CG1-CG2 4.35Å; V676-V689 WeakPolarHBondContact O-CB 3.23Å; V676-V689 PolarHBondContact O-N 3.47Å; N678-V689 HydrophobicContact CB-CG2 4.2Å; N678-V689 VanDerWaalsContact CG-CG2 3.44Å; N678-V689 WeakPolarHBondContact OD1-CG2 3.46Å; N687-V689 PolarHBondContact O-N 3.14Å; V689-F726 WeakPolarHBondContact CG1-O 3.33Å
690	G	97.1	Very high	95.5	Very high	18 Å²	18	61.7 Å²	61.7	19%	0.186	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.4	-154.5	-173.9	0	0	0	0	0	112.5	V676 C728	V676-G690 PolarHBondContact N-O 2.75Å; V676-G690 PolarHBondContact O-N 3.1Å; G690-C728 VanDerWaalsContact C-SG 3.59Å; G690-C728 VanDerWaalsContact CA-SG 3.6Å
691	R	97.2	Very high	95.7	Very high	154 Å²	154	59.6 Å²	59.6	58%	0.581	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.8	134.5	178.8	60.6	176.4	-174.6	-178	0.9	110.2	V673 I674 Y675	V673-R691 HydrophobicContact CG1-CB 3.62Å; V673-R691 HydrophobicContact CG1-CG 4.43Å; I674-R691 CarbonylContact O-C 3.45Å; I674-R691 VanDerWaalsContact O-CA 3.32Å; I674-R691 WeakPolarHBondContact O-CA 3.25Å; Y675-R691 HydrophobicContact CD1-CB 4.27Å; Y675-R691 HydrophobicContact CE1-CB 4.37Å
692	C	98	Very high	96	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.014	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	117.3	170.8	-62.5	0	0	0	0	108.3	I674 W723	I674-C692 HydrophobicContact CB-CB 4.03Å; I674-C692 PolarHBondContact N-O 3.3Å; I674-C692 PolarHBondContact O-N 3.4Å; C692-W723 HydrophobicContact CB-CD2 3.55Å; C692-W723 HydrophobicContact CB-CE3 3.4Å; C692-W723 VanDerWaalsContact CB-CE3 3.4Å; C692-W723 HydrophobicContact CB-CG 4.12Å; C692-W723 HydrophobicContact CB-CH2 4.12Å; C692-W723 HydrophobicContact CB-CZ2 4.25Å; C692-W723 HydrophobicContact CB-CZ3 3.7Å
693	C	96.5	Very high	96.4	Very high	65 Å²	65	46.9 Å²	46.9	44%	0.439	24%	0.239	S	C	.	.			trans	-121.6	129.2	179.2	-61.3	0	0	0	0	109.5
694	G	95.3	Very high	96.7	Very high	40 Å²	40	47.1 Å²	47.1	41%	0.412	24%	0.24	S	C	.	.			trans	165.7	-24.8	178.3	0	0	0	0	0	114.6
695	H	96.6	Very high	96.9	Very high	12 Å²	12	43.5 Å²	43.5	6%	0.056	23%	0.226	C	C	.	.			trans	-63.5	141.7	170.6	-85.8	-60.9	0	0	0	111.5	I699 S713 S715 L721 W723	H695-I699 HydrophobicContact CB-CD1 3.87Å; H695-I699 WeakPolarHBondContact CD2-CD1 3.48Å; H695-S713 PolarHBondContact CE1-O 3.13Å; H695-S713 PolarHBondContact NE2-O 2.83Å; H695-S713 PolarHBondContact NE2-OG 2.87Å; H695-S715 WeakPolarHBondContact ND1-CB 3.43Å; H695-L721 HydrophobicContact CB-CD1 4.35Å; H695-L721 VanDerWaalsContact CE1-CG 3.49Å; H695-L721 WeakPolarHBondContact CE1-CG 3.14Å; H695-W723 AromaticContact CD2-CZ2 3.89Å
696	T	95	Very high	96.9	Very high	91 Å²	91	42.8 Å²	42.8	56%	0.558	23%	0.228	S	C	*	.	S	Bend	trans	-94.2	-7.8	-179.4	67	0	0	0	0	114	N672 D717 E719	N672-T696 VanDerWaalsContact ND2-C 3.25Å; N672-T696 PolarHBondContact ND2-O 2.71Å; T696-D717 VanDerWaalsContact OG1-CG 3.31Å; T696-D717 PolarHBondContact OG1-OD1 3.1Å; T696-D717 PolarHBondContact OG1-OD2 3.12Å; T696-E719 PolarHBondContact N-OE2 2.73Å; T696-E719 PolarHBondContact OG1-OE2 2.91Å
697	S	95.3	Very high	96.9	Very high	24 Å²	24	45 Å²	45	17%	0.168	24%	0.242	C	C	.	.	S	Bend	trans	-137.8	174.2	177.9	-164.9	0	0	0	0	111.4	N672 D717	N672-S697 WeakPolarHBondContact CB-O 3.24Å; N672-S697 VanDerWaalsContact CG-O 3.31Å; N672-S697 PolarHBondContact ND2-N 3.31Å; N672-S697 PolarHBondContact OD1-O 3.32Å; S697-D717 VanDerWaalsContact CB-OD1 3.24Å; S697-D717 WeakPolarHBondContact CB-OD1 3.24Å
698	F	94.8	Very high	96.8	Very high	68 Å²	68	41.5 Å²	41.5	30%	0.298	22%	0.224	S	C	.	.			trans	-58.1	144.3	-178.6	52.7	-88.6	0	0	0	111.5	R670 N672 L700 S715 G716	R670-F698 HydrophobicContact CB-CB 4.19Å; R670-F698 HydrophobicContact CG-CB 4.11Å; N672-F698 PolarHBondContact OD1-N 3.42Å; F698-L700 HydrophobicContact CD2-CD2 4.14Å; F698-L700 HydrophobicContact CD2-CG 4.2Å; F698-L700 HydrophobicContact CE2-CD2 3.74Å; F698-L700 HydrophobicContact CE2-CG 3.97Å; F698-S715 CarbonylContact O-C 3.57Å; F698-S715 VanDerWaalsContact O-CA 3.24Å; F698-S715 WeakPolarHBondContact O-CA 3.39Å; F698-G716 PolarHBondContact O-N 3.26Å
699	I	97.8	Very high	96.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	132.1	177.4	-47.2	-57.8	0	0	0	109	E654 S669 I674 H695 I702	E654-I699 WeakPolarHBondContact CB-O 3.46Å; E654-I699 VanDerWaalsContact CG-O 3.26Å; E654-I699 WeakPolarHBondContact CG-O 3.28Å; S669-I699 PolarHBondContact O-N 2.97Å; I674-I699 HydrophobicContact CD1-CD1 4.26Å; I674-I699 HydrophobicContact CD1-CG2 4.31Å; I674-I699 HydrophobicContact CG1-CD1 3.89Å; I674-I699 HydrophobicContact CG1-CG1 3.81Å; I674-I699 HydrophobicContact CG1-CG2 4.17Å; H695-I699 HydrophobicContact CB-CD1 3.87Å; H695-I699 WeakPolarHBondContact CD2-CD1 3.48Å; I699-I702 HydrophobicContact CG2-CD1 4.18Å; I699-I702 HydrophobicContact CG2-CG1 3.96Å
700	L	96.9	Very high	96.9	Very high	46 Å²	46	41.8 Å²	41.8	24%	0.241	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-48.6	175.5	-80.1	173.4	0	0	0	112.3	C655 F698 V714	C655-L700 PolarHBondContact SG-O 2.9Å; F698-L700 HydrophobicContact CD2-CD2 4.14Å; F698-L700 HydrophobicContact CD2-CG 4.2Å; F698-L700 HydrophobicContact CE2-CD2 3.74Å; F698-L700 HydrophobicContact CE2-CG 3.97Å; L700-V714 PolarHBondContact N-O 3.49Å
701	H	98	Very high	97	Very high	22 Å²	22	40.9 Å²	40.9	10%	0.102	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	151.2	-172.6	-50.6	-59.9	0	0	0	111.6	S713 V714 C747 T748 N767	H701-S713 WeakPolarHBondContact O-CA 3.28Å; H701-S713 WeakPolarHBondContact O-CB 3.04Å; H701-V714 HydrophobicContact CB-CB 4.36Å; H701-V714 PolarHBondContact N-O 3.25Å; H701-V714 PolarHBondContact O-N 2.95Å; H701-C747 HydrophobicContact CB-CB 4.38Å; H701-T748 PolarHBondContact CD2-OG1 3.5Å; H701-T748 VanDerWaalsContact CD2-OG1 3.3Å; H701-T748 WeakPolarHBondContact NE2-CG2 3.35Å; H701-T748 PolarHBondContact NE2-OG1 2.91Å; H701-N767 PolarHBondContact CE1-O 3.41Å
702	I	98.4	Very high	97	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	126.3	178.9	-71.4	173.8	0	0	0	107.8	A657 A666 G668 I674 I699 I711 R712 T746	A657-I702 HydrophobicContact CB-CG2 4.16Å; A666-I702 HydrophobicContact CB-CD1 4.34Å; A666-I702 HydrophobicContact CB-CG2 4.03Å; G668-I702 VanDerWaalsContact N-CD1 3.34Å; I674-I702 HydrophobicContact CB-CD1 4.42Å; I674-I702 HydrophobicContact CD1-CD1 4.06Å; I674-I702 HydrophobicContact CD1-CG1 4.12Å; I674-I702 HydrophobicContact CG1-CD1 4.01Å; I674-I702 HydrophobicContact CG2-CD1 3.61Å; I699-I702 HydrophobicContact CG2-CD1 4.18Å; I699-I702 HydrophobicContact CG2-CG1 3.96Å; I702-I711 HydrophobicContact CG2-CG2 3.76Å; I702-R712 WeakPolarHBondContact CA-O 3.5Å; I702-T746 PolarHBondContact O-OG1 2.91Å
703	D	98.5	Very high	97.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144	166.3	-67.7	-46.3	0	0	0	110.2	I711 R712 S744 T746 C747	D703-I711 WeakPolarHBondContact O-CA 3.4Å; D703-R712 HydrophobicContact CB-CG 3.8Å; D703-R712 PolarHBondContact N-O 3.42Å; D703-R712 PolarHBondContact O-N 2.95Å; D703-R712 IonicContact OD2-CZ 3.35Å; D703-R712 IonicContact OD2-NE 3.01Å; D703-R712 PolarHBondContact OD2-NE 3.5Å; D703-R712 IonicContact OD2-NH2 2.78Å; D703-R712 PolarHBondContact OD2-NH2 2.76Å; D703-S744 WeakPolarHBondContact OD1-CB 3.44Å; D703-S744 PolarHBondContact OD1-OG 3Å; D703-T746 WeakPolarHBondContact OD1-CB 3.34Å; D703-T746 PolarHBondContact OD1-N 3.35Å; D703-T746 PolarHBondContact OD1-OG1 2.82Å; D703-T746 PolarHBondContact OD2-N 2.95Å; D703-T746 VanDerWaalsContact OD2-N 3.09Å; D703-C747 WeakPolarHBondContact OD2-CB 3.36Å; D703-C747 PolarHBondContact OD2-N 2.9Å; D703-C747 PolarHBondContact OD2-SG 2.8Å; D703-C747 VanDerWaalsContact OD2-SG 3.41Å
704	W	98.4	Very high	97.1	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.015	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	150.3	172.4	-73.4	91.6	0	0	0	111.3	A657 Y658 Y664 A666 V676 G708 I711 A725 A743	A657-W704 PolarHBondContact O-NE1 2.87Å; Y658-W704 PolarHBondContact O-NE1 3.18Å; Y664-W704 HydrophobicContact CD2-CH2 4.44Å; Y664-W704 HydrophobicContact CD2-CZ3 4.47Å; Y664-W704 AromaticContact CG-CH2 3.9Å; Y664-W704 HydrophobicContact CG-CH2 3.9Å; Y664-W704 HydrophobicContact CG-CZ3 4.37Å; A666-W704 HydrophobicContact CB-CZ2 3.64Å; V676-W704 HydrophobicContact CG1-CH2 4.43Å; W704-G708 VanDerWaalsContact CZ3-O 3.3Å; W704-G708 WeakPolarHBondContact CZ3-O 3.29Å; W704-I711 HydrophobicContact CD2-CG1 3.91Å; W704-I711 HydrophobicContact CE3-CD1 4.46Å; W704-I711 HydrophobicContact CE3-CG1 3.74Å; W704-I711 HydrophobicContact CH2-CD1 3.7Å; W704-I711 HydrophobicContact CH2-CG1 3.91Å; W704-I711 HydrophobicContact CZ2-CD1 3.85Å; W704-I711 HydrophobicContact CZ2-CG1 4.08Å; W704-I711 HydrophobicContact CZ3-CD1 4.05Å; W704-I711 HydrophobicContact CZ3-CG1 3.76Å; W704-A725 HydrophobicContact CE3-CB 4.45Å; W704-A725 HydrophobicContact CH2-CB 3.73Å; W704-A725 HydrophobicContact CZ3-CB 3.35Å; W704-A743 WeakPolarHBondContact O-CB 3.4Å; W704-A743 PolarHBondContact O-N 3.39Å
705	S	98	Very high	97.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-69.4	153.5	164.1	57.1	0	0	0	0	111.2	D707 G708 R709 F710 E741	S705-D707 WeakPolarHBondContact CB-OD1 3.21Å; S705-D707 PolarHBondContact O-N 3.43Å; S705-D707 PolarHBondContact OG-OD1 3.02Å; S705-G708 PolarHBondContact O-N 3.43Å; S705-R709 PolarHBondContact OG-N 2.93Å; S705-F710 PolarHBondContact N-O 3.3Å; S705-F710 PolarHBondContact OG-N 2.77Å; S705-F710 PolarHBondContact OG-O 3.49Å; S705-E741 WeakPolarHBondContact CA-O 3.29Å
706	V	96.6	Very high	96.9	Very high	72 Å²	72	28.9 Å²	28.9	44%	0.436	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-33.2	178.9	172.9	0	0	0	0	112.1	G708 E741 A743	V706-G708 VanDerWaalsContact C-N 3.31Å; V706-G708 PolarHBondContact O-N 3.32Å; V706-E741 HydrophobicContact CB-CB 4.49Å; V706-E741 HydrophobicContact CG2-CB 3.93Å; V706-E741 HydrophobicContact CG2-CG 3.73Å; V706-E741 PolarHBondContact N-O 3.31Å; V706-A743 HydrophobicContact CG2-CB 4.21Å
707	D	95.6	Very high	96.6	Very high	61 Å²	61	25.9 Å²	25.9	33%	0.326	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	1.4	178.1	69.3	5.1	0	0	0	114.9	S705 R709	S705-D707 WeakPolarHBondContact CB-OD1 3.21Å; S705-D707 PolarHBondContact O-N 3.43Å; S705-D707 PolarHBondContact OG-OD1 3.02Å; D707-R709 PolarHBondContact O-N 3.03Å; D707-R709 VanDerWaalsContact O-N 3.11Å; D707-R709 WeakPolarHBondContact OD1-CB 3.34Å; D707-R709 PolarHBondContact OD1-N 2.88Å; D707-R709 IonicContact OD1-NE 3.77Å; D707-R709 IonicContact OD2-CZ 2.72Å; D707-R709 IonicContact OD2-NE 3.94Å; D707-R709 PolarHBondContact OD2-NE 3.41Å; D707-R709 IonicContact OD2-NH2 2.91Å; D707-R709 PolarHBondContact OD2-NH2 2.98Å
708	G	96	Very high	96.4	Very high	4 Å²	4	25.8 Å²	25.8	4%	0.041	13%	0.126	C	C	.	.	S	Bend	trans	66.7	4.6	-179.8	0	0	0	0	0	115.7	W704 S705 V706	W704-G708 VanDerWaalsContact CZ3-O 3.3Å; W704-G708 WeakPolarHBondContact CZ3-O 3.29Å; S705-G708 PolarHBondContact O-N 3.43Å; V706-G708 VanDerWaalsContact C-N 3.31Å; V706-G708 PolarHBondContact O-N 3.32Å
709	R	97.3	Very high	96.2	Very high	152 Å²	152	24.4 Å²	24.4	57%	0.574	12%	0.12	S	C	*	.	S	Bend	trans	-88.4	-25.6	-174.3	-64.5	-173.1	-63	176.9	-2.7	114.2	S705 D707 A725	S705-R709 PolarHBondContact OG-N 2.93Å; D707-R709 PolarHBondContact O-N 3.03Å; D707-R709 VanDerWaalsContact O-N 3.11Å; D707-R709 WeakPolarHBondContact OD1-CB 3.34Å; D707-R709 PolarHBondContact OD1-N 2.88Å; D707-R709 IonicContact OD1-NE 3.77Å; D707-R709 IonicContact OD2-CZ 2.72Å; D707-R709 IonicContact OD2-NE 3.94Å; D707-R709 PolarHBondContact OD2-NE 3.41Å; D707-R709 IonicContact OD2-NH2 2.91Å; D707-R709 PolarHBondContact OD2-NH2 2.98Å; R709-A725 PolarHBondContact O-N 3.36Å
710	F	98.4	Very high	96.1	Very high	37 Å²	37	25.8 Å²	25.8	16%	0.162	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	150.9	-174.1	-59.5	-86.6	0	0	0	112.3	S705 W723 T724 V731 L737 L740 W742	S705-F710 PolarHBondContact N-O 3.3Å; S705-F710 PolarHBondContact OG-N 2.77Å; S705-F710 PolarHBondContact OG-O 3.49Å; F710-W723 VanDerWaalsContact CA-O 3.23Å; F710-W723 WeakPolarHBondContact CA-O 3.37Å; F710-T724 HydrophobicContact CD1-CG2 4.01Å; F710-T724 HydrophobicContact CE1-CG2 3.62Å; F710-V731 HydrophobicContact CD1-CG2 4.16Å; F710-V731 HydrophobicContact CE1-CG2 4.13Å; F710-L737 HydrophobicContact CD1-CD1 4.24Å; F710-L737 HydrophobicContact CD1-CD2 4.03Å; F710-L737 HydrophobicContact CE1-CD2 3.82Å; F710-L737 HydrophobicContact CE2-CD2 4.42Å; F710-L737 HydrophobicContact CG-CD2 4.41Å; F710-L737 HydrophobicContact CZ-CD2 4.03Å; F710-L740 HydrophobicContact CB-CD2 3.83Å; F710-L740 HydrophobicContact CD2-CD1 4.37Å; F710-L740 HydrophobicContact CD2-CD2 3.62Å; F710-L740 HydrophobicContact CE2-CD2 4.43Å; F710-L740 HydrophobicContact CG-CD2 3.89Å; F710-W742 HydrophobicContact CB-CH2 4.31Å; F710-W742 HydrophobicContact CB-CZ3 4.5Å
711	I	98.6	Very high	96.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.5	172.9	-61.5	166.1	0	0	0	107.8	A666 V676 I702 D703 W704 F722 W723 A725	A666-I711 HydrophobicContact CB-CD1 4.04Å; V676-I711 HydrophobicContact CG2-CD1 4Å; I702-I711 HydrophobicContact CG2-CG2 3.76Å; D703-I711 WeakPolarHBondContact O-CA 3.4Å; W704-I711 HydrophobicContact CD2-CG1 3.91Å; W704-I711 HydrophobicContact CE3-CD1 4.46Å; W704-I711 HydrophobicContact CE3-CG1 3.74Å; W704-I711 HydrophobicContact CH2-CD1 3.7Å; W704-I711 HydrophobicContact CH2-CG1 3.91Å; W704-I711 HydrophobicContact CZ2-CD1 3.85Å; W704-I711 HydrophobicContact CZ2-CG1 4.08Å; W704-I711 HydrophobicContact CZ3-CD1 4.05Å; W704-I711 HydrophobicContact CZ3-CG1 3.76Å; I711-F722 CarbonylContact O-C 2.93Å; I711-F722 VanDerWaalsContact O-CA 3.31Å; I711-F722 WeakPolarHBondContact O-CA 3.34Å; I711-W723 HydrophobicContact CB-CB 4.29Å; I711-W723 PolarHBondContact N-O 3.01Å; I711-W723 PolarHBondContact O-N 3.12Å; I711-A725 HydrophobicContact CD1-CB 4.29Å; I711-A725 HydrophobicContact CG1-CB 4.45Å
712	R	98.1	Very high	96.2	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.015	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	149	158.7	65.6	175	-176.8	-160.1	-4.7	109.6	I702 D703 L721 F722 W742 S744 Q745 E752	I702-R712 WeakPolarHBondContact CA-O 3.5Å; D703-R712 HydrophobicContact CB-CG 3.8Å; D703-R712 PolarHBondContact N-O 3.42Å; D703-R712 PolarHBondContact O-N 2.95Å; D703-R712 IonicContact OD2-CZ 3.35Å; D703-R712 IonicContact OD2-NE 3.01Å; D703-R712 PolarHBondContact OD2-NE 3.5Å; D703-R712 IonicContact OD2-NH2 2.78Å; D703-R712 PolarHBondContact OD2-NH2 2.76Å; R712-L721 CarbonylContact C-O 3.52Å; R712-L721 WeakPolarHBondContact CA-O 3.23Å; R712-F722 HydrophobicContact CB-CD1 3.77Å; R712-F722 HydrophobicContact CB-CE1 3.73Å; R712-W742 HydrophobicContact CB-CE3 4.25Å; R712-W742 HydrophobicContact CB-CH2 3.68Å; R712-W742 HydrophobicContact CB-CZ2 4.09Å; R712-W742 HydrophobicContact CB-CZ3 3.76Å; R712-W742 HydrophobicContact CG-CD2 4.02Å; R712-W742 HydrophobicContact CG-CE3 3.67Å; R712-W742 HydrophobicContact CG-CH2 4.04Å; R712-W742 HydrophobicContact CG-CZ2 4.33Å; R712-W742 HydrophobicContact CG-CZ3 3.69Å; R712-S744 PolarHBondContact NH2-O 3.11Å; R712-Q745 VanDerWaalsContact NH2-NE2 3.15Å; R712-E752 IonicContact NH1-OE1 2.9Å; R712-E752 PolarHBondContact NH1-OE1 2.84Å; R712-E752 IonicContact NH1-OE2 3.03Å; R712-E752 PolarHBondContact NH1-OE2 3.46Å
713	S	98.4	Very high	96.2	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	147.9	176.8	57.8	0	0	0	0	113.8	I674 H695 H701 I720 L721 W723	I674-S713 VanDerWaalsContact CD1-CB 3.42Å; I674-S713 WeakPolarHBondContact CD1-OG 3.27Å; H695-S713 PolarHBondContact CE1-O 3.13Å; H695-S713 PolarHBondContact NE2-O 2.83Å; H695-S713 PolarHBondContact NE2-OG 2.87Å; H701-S713 WeakPolarHBondContact O-CA 3.28Å; H701-S713 WeakPolarHBondContact O-CB 3.04Å; S713-I720 WeakPolarHBondContact O-CA 3.39Å; S713-L721 PolarHBondContact N-O 2.74Å; S713-L721 PolarHBondContact O-N 2.81Å; S713-W723 PolarHBondContact OG-NE1 2.95Å
714	V	97	Very high	96.2	Very high	2 Å²	2	26 Å²	26	1%	0.012	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	137.8	-179.3	172.8	0	0	0	0	109.8	L700 H701 E719 C747 L749	L700-V714 PolarHBondContact N-O 3.49Å; H701-V714 HydrophobicContact CB-CB 4.36Å; H701-V714 PolarHBondContact N-O 3.25Å; H701-V714 PolarHBondContact O-N 2.95Å; V714-E719 WeakPolarHBondContact CA-O 3.41Å; V714-C747 HydrophobicContact CG2-CB 3.77Å; V714-L749 HydrophobicContact CG1-CB 4.39Å; V714-L749 HydrophobicContact CG1-CD1 3.77Å; V714-L749 HydrophobicContact CG1-CG 3.96Å; V714-L749 HydrophobicContact CG2-CB 3.86Å; V714-L749 HydrophobicContact CG2-CG 4.34Å
715	S	96	Very high	96	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	163.7	176.2	65.9	0	0	0	0	113.9	H695 F698 D717 Y718 E719	H695-S715 WeakPolarHBondContact ND1-CB 3.43Å; F698-S715 CarbonylContact O-C 3.57Å; F698-S715 VanDerWaalsContact O-CA 3.24Å; F698-S715 WeakPolarHBondContact O-CA 3.39Å; S715-D717 WeakPolarHBondContact CB-OD1 3.44Å; S715-D717 PolarHBondContact O-N 3.2Å; S715-D717 VanDerWaalsContact O-N 3.09Å; S715-D717 PolarHBondContact OG-OD1 3.06Å; S715-Y718 PolarHBondContact O-N 3.14Å; S715-E719 PolarHBondContact N-O 2.84Å; S715-E719 VanDerWaalsContact N-O 3.16Å; S715-E719 WeakPolarHBondContact OG-CB 3.44Å; S715-E719 PolarHBondContact OG-N 3.35Å; S715-E719 VanDerWaalsContact OG-N 3.12Å
716	G	92	Very high	95.8	Very high	15 Å²	15	31.7 Å²	31.7	16%	0.155	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-2.9	173.4	0	0	0	0	0	116.4	F698	F698-G716 PolarHBondContact O-N 3.26Å
717	D	88.9	Confident	95.8	Very high	27 Å²	27	30.9 Å²	30.9	14%	0.144	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	13.6	171	78.9	-61	0	0	0	113.4	R170 T696 S697 S715 E719	R170-D717 IonicContact CZ-OD2 3.63Å; R170-D717 PolarHBondContact NH1-O 2.95Å; R170-D717 IonicContact NH1-OD2 3.25Å; R170-D717 PolarHBondContact NH1-OD2 3.49Å; R170-D717 IonicContact NH2-OD2 3.86Å; T696-D717 VanDerWaalsContact OG1-CG 3.31Å; T696-D717 PolarHBondContact OG1-OD1 3.1Å; T696-D717 PolarHBondContact OG1-OD2 3.12Å; S697-D717 VanDerWaalsContact CB-OD1 3.24Å; S697-D717 WeakPolarHBondContact CB-OD1 3.24Å; S715-D717 WeakPolarHBondContact CB-OD1 3.44Å; S715-D717 PolarHBondContact O-N 3.2Å; S715-D717 VanDerWaalsContact O-N 3.09Å; S715-D717 PolarHBondContact OG-OD1 3.06Å; D717-E719 WeakPolarHBondContact OD2-CG 3.26Å
718	Y	90	Very high	95.9	Very high	23 Å²	23	28.5 Å²	28.5	9%	0.09	14%	0.135	C	C	.	.			trans	72.5	29.8	173.6	-30.3	-62.6	0	0	0	114.4	I167 R168 S715 D762 G763	I167-Y718 HydrophobicContact CB-CD2 4.48Å; I167-Y718 HydrophobicContact CB-CG 4.47Å; I167-Y718 HydrophobicContact CG2-CD1 4.03Å; I167-Y718 HydrophobicContact CG2-CD2 3.7Å; I167-Y718 HydrophobicContact CG2-CE1 4.15Å; I167-Y718 HydrophobicContact CG2-CE2 3.83Å; I167-Y718 HydrophobicContact CG2-CG 3.81Å; R168-Y718 PolarHBondContact NH1-OH 3.38Å; S715-Y718 PolarHBondContact O-N 3.14Å; Y718-D762 PolarHBondContact OH-O 3.24Å; Y718-G763 VanDerWaalsContact CE1-O 3.26Å; Y718-G763 WeakPolarHBondContact CE1-O 3.22Å
719	E	92	Very high	96	Very high	39 Å²	39	36.5 Å²	36.5	18%	0.182	16%	0.164	C	C	.	.			trans	-87.4	140.8	172.1	-59.4	-174.5	136.9	0	0	110.2	R170 T696 V714 S715 D717	R170-E719 IonicContact CZ-OE1 3.67Å; R170-E719 IonicContact NH1-OE1 2.69Å; R170-E719 IonicContact NH2-OE1 3.8Å; R170-E719 PolarHBondContact NH2-OE1 2.81Å; T696-E719 PolarHBondContact N-OE2 2.73Å; T696-E719 PolarHBondContact OG1-OE2 2.91Å; V714-E719 WeakPolarHBondContact CA-O 3.41Å; S715-E719 PolarHBondContact N-O 2.84Å; S715-E719 VanDerWaalsContact N-O 3.16Å; S715-E719 WeakPolarHBondContact OG-CB 3.44Å; S715-E719 PolarHBondContact OG-N 3.35Å; S715-E719 VanDerWaalsContact OG-N 3.12Å; D717-E719 WeakPolarHBondContact OD2-CG 3.26Å
720	I	95.6	Very high	96	Very high	29 Å²	29	33 Å²	33	15%	0.149	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	110.5	172.1	-46.9	171.9	0	0	0	106.7	V172 V174 S713 F722 L749	V172-I720 HydrophobicContact CG1-CD1 3.96Å; V174-I720 HydrophobicContact CG1-CD1 3.46Å; V174-I720 VanDerWaalsContact CG1-CD1 3.46Å; S713-I720 WeakPolarHBondContact O-CA 3.39Å; I720-F722 HydrophobicContact CB-CE2 4.46Å; I720-F722 HydrophobicContact CG2-CE2 3.74Å; I720-F722 HydrophobicContact CG2-CZ 3.74Å; I720-L749 HydrophobicContact CD1-CB 3.65Å; I720-L749 HydrophobicContact CG1-CB 3.72Å; I720-L749 HydrophobicContact CG1-CD1 4.23Å
721	L	97.8	Very high	96	Very high	26 Å²	26	32.4 Å²	32.4	14%	0.136	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	154	177.9	-60.6	-171.7	0	0	0	111	H695 R712 S713 W723	H695-L721 HydrophobicContact CB-CD1 4.35Å; H695-L721 VanDerWaalsContact CE1-CG 3.49Å; H695-L721 WeakPolarHBondContact CE1-CG 3.14Å; R712-L721 CarbonylContact C-O 3.52Å; R712-L721 WeakPolarHBondContact CA-O 3.23Å; S713-L721 PolarHBondContact N-O 2.74Å; S713-L721 PolarHBondContact O-N 2.81Å; L721-W723 HydrophobicContact CB-CZ2 3.61Å; L721-W723 HydrophobicContact CD1-CH2 3.96Å; L721-W723 HydrophobicContact CD1-CZ2 3.66Å; L721-W723 HydrophobicContact CG-CZ2 4.3Å
722	F	98.3	Very high	95.8	Very high	27 Å²	27	37.8 Å²	37.8	12%	0.118	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	145.4	-175.5	-60.8	-95.1	0	0	0	109.5	I711 R712 I720 Q730 V731 P734 L737 W742	I711-F722 CarbonylContact O-C 2.93Å; I711-F722 VanDerWaalsContact O-CA 3.31Å; I711-F722 WeakPolarHBondContact O-CA 3.34Å; R712-F722 HydrophobicContact CB-CD1 3.77Å; R712-F722 HydrophobicContact CB-CE1 3.73Å; I720-F722 HydrophobicContact CB-CE2 4.46Å; I720-F722 HydrophobicContact CG2-CE2 3.74Å; I720-F722 HydrophobicContact CG2-CZ 3.74Å; F722-Q730 CarbonylContact O-C 3.56Å; F722-Q730 WeakPolarHBondContact O-CA 3.48Å; F722-V731 HydrophobicContact CB-CB 4.06Å; F722-V731 PolarHBondContact O-N 2.76Å; F722-P734 HydrophobicContact CD2-CB 3.7Å; F722-P734 HydrophobicContact CD2-CG 3.78Å; F722-P734 HydrophobicContact CE2-CB 3.62Å; F722-P734 HydrophobicContact CE2-CG 4Å; F722-P734 HydrophobicContact CZ-CB 4.39Å; F722-L737 HydrophobicContact CB-CD1 3.65Å; F722-L737 HydrophobicContact CD1-CD1 3.74Å; F722-L737 HydrophobicContact CG-CD1 3.89Å; F722-W742 AromaticContact CD1-CH2 3.84Å; F722-W742 HydrophobicContact CD1-CH2 3.84Å; F722-W742 AromaticContact CD1-CZ2 3.8Å; F722-W742 HydrophobicContact CD1-CZ2 3.8Å; F722-W742 HydrophobicContact CE1-CH2 4.12Å; F722-W742 AromaticContact CE1-CZ2 3.66Å; F722-W742 HydrophobicContact CE1-CZ2 3.66Å
723	W	98.5	Very high	95.7	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	145.3	-170.4	-43	87.4	0	0	0	112	C692 H695 F710 I711 S713 L721 R729 Q730	C692-W723 HydrophobicContact CB-CD2 3.55Å; C692-W723 HydrophobicContact CB-CE3 3.4Å; C692-W723 VanDerWaalsContact CB-CE3 3.4Å; C692-W723 HydrophobicContact CB-CG 4.12Å; C692-W723 HydrophobicContact CB-CH2 4.12Å; C692-W723 HydrophobicContact CB-CZ2 4.25Å; C692-W723 HydrophobicContact CB-CZ3 3.7Å; H695-W723 AromaticContact CD2-CZ2 3.89Å; F710-W723 VanDerWaalsContact CA-O 3.23Å; F710-W723 WeakPolarHBondContact CA-O 3.37Å; I711-W723 HydrophobicContact CB-CB 4.29Å; I711-W723 PolarHBondContact N-O 3.01Å; I711-W723 PolarHBondContact O-N 3.12Å; S713-W723 PolarHBondContact OG-NE1 2.95Å; L721-W723 HydrophobicContact CB-CZ2 3.61Å; L721-W723 HydrophobicContact CD1-CH2 3.96Å; L721-W723 HydrophobicContact CD1-CZ2 3.66Å; L721-W723 HydrophobicContact CG-CZ2 4.3Å; W723-R729 CarbonylContact C-O 3.59Å; W723-R729 WeakPolarHBondContact CA-O 3.4Å; W723-Q730 HydrophobicContact CE3-CB 3.79Å; W723-Q730 HydrophobicContact CE3-CG 4.22Å; W723-Q730 HydrophobicContact CH2-CB 4.39Å; W723-Q730 HydrophobicContact CH2-CG 4.31Å; W723-Q730 HydrophobicContact CZ3-CB 3.61Å; W723-Q730 HydrophobicContact CZ3-CG 3.98Å
724	T	97.9	Very high	95.3	Very high	22 Å²	22	41.7 Å²	41.7	14%	0.135	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	123.6	162.6	38.9	0	0	0	0	109.2	F710 F726 D727 C728 R729 V731	F710-T724 HydrophobicContact CD1-CG2 4.01Å; F710-T724 HydrophobicContact CE1-CG2 3.62Å; T724-F726 HydrophobicContact CG2-CE1 3.95Å; T724-D727 WeakPolarHBondContact CB-OD1 3.36Å; T724-D727 PolarHBondContact OG1-OD1 2.89Å; T724-C728 WeakPolarHBondContact O-CA 3.25Å; T724-C728 PolarHBondContact O-N 3.09Å; T724-R729 PolarHBondContact N-O 2.53Å; T724-R729 PolarHBondContact O-N 3.38Å; T724-R729 PolarHBondContact OG1-O 3.39Å; T724-V731 HydrophobicContact CG2-CG2 4.07Å
725	A	95.4	Very high	95.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-40.3	-171.6	0	0	0	0	0	113.3	W704 R709 I711 D727	W704-A725 HydrophobicContact CE3-CB 4.45Å; W704-A725 HydrophobicContact CH2-CB 3.73Å; W704-A725 HydrophobicContact CZ3-CB 3.35Å; R709-A725 PolarHBondContact O-N 3.36Å; I711-A725 HydrophobicContact CD1-CB 4.29Å; I711-A725 HydrophobicContact CG1-CB 4.45Å; A725-D727 VanDerWaalsContact C-N 3.3Å; A725-D727 PolarHBondContact O-N 2.86Å
726	F	94.4	Very high	95.1	Very high	124 Å²	124	48.4 Å²	48.4	54%	0.544	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-23.4	-172.5	70.8	-89.7	0	0	0	114.5	V689 T724	V689-F726 WeakPolarHBondContact CG1-O 3.33Å; T724-F726 HydrophobicContact CG2-CE1 3.95Å
727	D	96.4	Very high	95.3	Very high	54 Å²	54	48.3 Å²	48.3	29%	0.289	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.9	5.6	178.8	73.4	-9.9	0	0	0	114.2	T724 A725 R729	T724-D727 WeakPolarHBondContact CB-OD1 3.36Å; T724-D727 PolarHBondContact OG1-OD1 2.89Å; A725-D727 VanDerWaalsContact C-N 3.3Å; A725-D727 PolarHBondContact O-N 2.86Å; D727-R729 HydrophobicContact CB-CG 4.47Å; D727-R729 PolarHBondContact O-N 3.11Å; D727-R729 PolarHBondContact OD1-N 2.74Å; D727-R729 WeakPolarHBondContact OD2-CD 3.27Å; D727-R729 WeakPolarHBondContact OD2-CG 3.44Å; D727-R729 IonicContact OD2-CZ 2.67Å; D727-R729 IonicContact OD2-NE 2.62Å; D727-R729 PolarHBondContact OD2-NE 2.91Å; D727-R729 IonicContact OD2-NH1 2.71Å
728	C	97.7	Very high	95.6	Very high	11 Å²	11	49.1 Å²	49.1	7%	0.074	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	25.5	179.6	-54.9	0	0	0	0	115.8	G690 T724	G690-C728 VanDerWaalsContact C-SG 3.59Å; G690-C728 VanDerWaalsContact CA-SG 3.6Å; T724-C728 WeakPolarHBondContact O-CA 3.25Å; T724-C728 PolarHBondContact O-N 3.09Å
729	R	97.9	Very high	95.8	Very high	173 Å²	173	52.4 Å²	52.4	65%	0.653	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	149.7	-179.2	-64.8	-174.5	-174.7	170.8	0.3	113.1	W723 T724 D727	W723-R729 CarbonylContact C-O 3.59Å; W723-R729 WeakPolarHBondContact CA-O 3.4Å; T724-R729 PolarHBondContact N-O 2.53Å; T724-R729 PolarHBondContact O-N 3.38Å; T724-R729 PolarHBondContact OG1-O 3.39Å; D727-R729 HydrophobicContact CB-CG 4.47Å; D727-R729 PolarHBondContact O-N 3.11Å; D727-R729 PolarHBondContact OD1-N 2.74Å; D727-R729 WeakPolarHBondContact OD2-CD 3.27Å; D727-R729 WeakPolarHBondContact OD2-CG 3.44Å; D727-R729 IonicContact OD2-CZ 2.67Å; D727-R729 IonicContact OD2-NE 2.62Å; D727-R729 PolarHBondContact OD2-NE 2.91Å; D727-R729 IonicContact OD2-NH1 2.71Å
730	Q	98	Very high	96	Very high	79 Å²	79	52.2 Å²	52.2	37%	0.369	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	130.5	175.7	-168.5	-177.8	-7.2	0	0	111.3	F722 W723 V732	F722-Q730 CarbonylContact O-C 3.56Å; F722-Q730 WeakPolarHBondContact O-CA 3.48Å; W723-Q730 HydrophobicContact CE3-CB 3.79Å; W723-Q730 HydrophobicContact CE3-CG 4.22Å; W723-Q730 HydrophobicContact CH2-CB 4.39Å; W723-Q730 HydrophobicContact CH2-CG 4.31Å; W723-Q730 HydrophobicContact CZ3-CB 3.61Å; W723-Q730 HydrophobicContact CZ3-CG 3.98Å; Q730-V732 HydrophobicContact CB-CG1 4.42Å; Q730-V732 HydrophobicContact CG-CG1 4.21Å; Q730-V732 PolarHBondContact O-N 2.89Å
731	V	97.5	Very high	96	Very high	24 Å²	24	56.9 Å²	56.9	15%	0.145	29%	0.293	C	S	.	.			trans	-83.8	94.8	169.1	-176.3	0	0	0	0	108.6	F710 F722 T724 S733 L737	F710-V731 HydrophobicContact CD1-CG2 4.16Å; F710-V731 HydrophobicContact CE1-CG2 4.13Å; F722-V731 HydrophobicContact CB-CB 4.06Å; F722-V731 PolarHBondContact O-N 2.76Å; T724-V731 HydrophobicContact CG2-CG2 4.07Å; V731-S733 PolarHBondContact O-N 3.37Å; V731-L737 HydrophobicContact CB-CD1 4.12Å; V731-L737 HydrophobicContact CG1-CD1 3.91Å; V731-L737 HydrophobicContact CG1-CG 4.16Å; V731-L737 HydrophobicContact CG2-CD1 4.31Å
732	V	95.3	Very high	95.9	Very high	113 Å²	113	56.8 Å²	56.8	69%	0.685	29%	0.291	S	S	*	.	S	Bend	trans	-75.9	3.3	-176.3	-60.9	0	0	0	0	114.7	Q730	Q730-V732 HydrophobicContact CB-CG1 4.42Å; Q730-V732 HydrophobicContact CG-CG1 4.21Å; Q730-V732 PolarHBondContact O-N 2.89Å
733	S	94.3	Very high	95.8	Very high	60 Å²	60	58 Å²	58	42%	0.42	31%	0.306	S	S	.	.			trans	-126.8	72.9	175.5	-60.4	0	0	0	0	110.7	V731 S735 T736	V731-S733 PolarHBondContact O-N 3.37Å; S733-S735 PolarHBondContact O-N 2.87Å; S733-T736 PolarHBondContact O-N 2.86Å; S733-T736 PolarHBondContact O-OG1 2.65Å
734	P	91.5	Very high	95.7	Very high	25 Å²	25	59.9 Å²	59.9	16%	0.162	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-58.3	-22.4	-174.2	-25.8	35.9	0	0	0	114.6	Y175 F722 T736 L737	Y175-P734 HydrophobicContact CD2-CB 3.83Å; Y175-P734 HydrophobicContact CE2-CB 3.65Å; Y175-P734 HydrophobicContact CE2-CG 4.2Å; F722-P734 HydrophobicContact CD2-CB 3.7Å; F722-P734 HydrophobicContact CD2-CG 3.78Å; F722-P734 HydrophobicContact CE2-CB 3.62Å; F722-P734 HydrophobicContact CE2-CG 4Å; F722-P734 HydrophobicContact CZ-CB 4.39Å; P734-T736 PolarHBondContact O-N 2.92Å; P734-T736 VanDerWaalsContact O-N 3.13Å; P734-L737 PolarHBondContact O-N 3.06Å
735	S	92.8	Very high	95.7	Very high	46 Å²	46	59 Å²	59	32%	0.322	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-56.4	-21.4	172.2	51.1	0	0	0	0	114.4	S733 L737 R738	S733-S735 PolarHBondContact O-N 2.87Å; S735-L737 VanDerWaalsContact C-N 3.34Å; S735-R738 WeakPolarHBondContact O-CG 3.35Å; S735-R738 PolarHBondContact O-NE 3.29Å
736	T	95.1	Very high	95.8	Very high	98 Å²	98	61.2 Å²	61.2	60%	0.601	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-80.6	-14.1	175	65.1	0	0	0	0	113.4	S733 P734	S733-T736 PolarHBondContact O-N 2.86Å; S733-T736 PolarHBondContact O-OG1 2.65Å; P734-T736 PolarHBondContact O-N 2.92Å; P734-T736 VanDerWaalsContact O-N 3.13Å
737	L	95.9	Very high	95.9	Very high	13 Å²	13	55.3 Å²	55.3	7%	0.068	30%	0.302	C	S	.	.	S	Bend	trans	-105.8	6.6	-179.5	-52.7	-178.3	0	0	0	112.7	F710 F722 V731 P734 S735 D739 L740	F710-L737 HydrophobicContact CD1-CD1 4.24Å; F710-L737 HydrophobicContact CD1-CD2 4.03Å; F710-L737 HydrophobicContact CE1-CD2 3.82Å; F710-L737 HydrophobicContact CE2-CD2 4.42Å; F710-L737 HydrophobicContact CG-CD2 4.41Å; F710-L737 HydrophobicContact CZ-CD2 4.03Å; F722-L737 HydrophobicContact CB-CD1 3.65Å; F722-L737 HydrophobicContact CD1-CD1 3.74Å; F722-L737 HydrophobicContact CG-CD1 3.89Å; V731-L737 HydrophobicContact CB-CD1 4.12Å; V731-L737 HydrophobicContact CG1-CD1 3.91Å; V731-L737 HydrophobicContact CG1-CG 4.16Å; V731-L737 HydrophobicContact CG2-CD1 4.31Å; P734-L737 PolarHBondContact O-N 3.06Å; S735-L737 VanDerWaalsContact C-N 3.34Å; L737-D739 PolarHBondContact O-N 3.43Å; L737-L740 HydrophobicContact CB-CB 4.45Å; L737-L740 HydrophobicContact CB-CD2 4.48Å; L737-L740 HydrophobicContact CD2-CD2 4.34Å; L737-L740 VanDerWaalsContact O-CB 3.23Å; L737-L740 WeakPolarHBondContact O-CB 3.28Å; L737-L740 PolarHBondContact O-N 2.69Å; L737-L740 VanDerWaalsContact O-N 3.08Å
738	R	94.6	Very high	95.9	Very high	44 Å²	44	53 Å²	53	17%	0.166	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-25.6	-175.4	71.2	176.9	59.4	-135.5	12.3	114.7	D160 M176 P177 T178 M181 S735	D160-R738 PolarHBondContact O-NH1 3.1Å; D160-R738 PolarHBondContact O-NH2 2.95Å; M176-R738 WeakPolarHBondContact O-CD 3.26Å; M176-R738 PolarHBondContact O-NH1 3.11Å; M176-R738 VanDerWaalsContact O-NH1 3.14Å; P177-R738 WeakPolarHBondContact CA-O 3.37Å; P177-R738 WeakPolarHBondContact CG-O 3.39Å; T178-R738 VanDerWaalsContact OG1-CD 3.28Å; T178-R738 WeakPolarHBondContact OG1-CD 3.34Å; M181-R738 PolarHBondContact SD-NH1 3.25Å; M181-R738 VanDerWaalsContact SD-NH1 3.38Å; S735-R738 WeakPolarHBondContact O-CG 3.35Å; S735-R738 PolarHBondContact O-NE 3.29Å
739	D	95.7	Very high	95.8	Very high	91 Å²	91	52.5 Å²	52.5	49%	0.487	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	10.2	-178.6	-62.9	-56.7	0	0	0	111.7	P177 T178 L737	P177-D739 WeakPolarHBondContact CA-OD1 3.4Å; T178-D739 WeakPolarHBondContact CB-OD1 3.48Å; T178-D739 WeakPolarHBondContact CB-OD2 3.49Å; T178-D739 PolarHBondContact N-OD1 3.49Å; T178-D739 PolarHBondContact OG1-OD1 3.08Å; T178-D739 PolarHBondContact OG1-OD2 2.98Å; L737-D739 PolarHBondContact O-N 3.43Å
740	L	95.1	Very high	95.7	Very high	36 Å²	36	44.6 Å²	44.6	19%	0.188	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-82	133.2	176.7	-173	66	0	0	0	110.3	F710 L737 W742	F710-L740 HydrophobicContact CB-CD2 3.83Å; F710-L740 HydrophobicContact CD2-CD1 4.37Å; F710-L740 HydrophobicContact CD2-CD2 3.62Å; F710-L740 HydrophobicContact CE2-CD2 4.43Å; F710-L740 HydrophobicContact CG-CD2 3.89Å; L737-L740 HydrophobicContact CB-CB 4.45Å; L737-L740 HydrophobicContact CB-CD2 4.48Å; L737-L740 HydrophobicContact CD2-CD2 4.34Å; L737-L740 VanDerWaalsContact O-CB 3.23Å; L737-L740 WeakPolarHBondContact O-CB 3.28Å; L737-L740 PolarHBondContact O-N 2.69Å; L737-L740 VanDerWaalsContact O-N 3.08Å; L740-W742 HydrophobicContact CD2-CH2 3.91Å; L740-W742 HydrophobicContact CD2-CZ2 3.95Å; L740-W742 HydrophobicContact CD2-CZ3 4.47Å
741	E	95.2	Very high	95.5	Very high	126 Å²	126	41.3 Å²	41.3	59%	0.589	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-83.2	131.1	175	-163.9	175.3	-178.5	0	0	111.3	S705 V706	S705-E741 WeakPolarHBondContact CA-O 3.29Å; V706-E741 HydrophobicContact CB-CB 4.49Å; V706-E741 HydrophobicContact CG2-CB 3.93Å; V706-E741 HydrophobicContact CG2-CG 3.73Å; V706-E741 PolarHBondContact N-O 3.31Å
742	W	96.5	Very high	95.4	Very high	25 Å²	25	41.5 Å²	41.5	10%	0.095	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-95.2	132.6	177.3	-60.2	98.6	0	0	0	110.3	F710 R712 F722 L740 S744	F710-W742 HydrophobicContact CB-CH2 4.31Å; F710-W742 HydrophobicContact CB-CZ3 4.5Å; R712-W742 HydrophobicContact CB-CE3 4.25Å; R712-W742 HydrophobicContact CB-CH2 3.68Å; R712-W742 HydrophobicContact CB-CZ2 4.09Å; R712-W742 HydrophobicContact CB-CZ3 3.76Å; R712-W742 HydrophobicContact CG-CD2 4.02Å; R712-W742 HydrophobicContact CG-CE3 3.67Å; R712-W742 HydrophobicContact CG-CH2 4.04Å; R712-W742 HydrophobicContact CG-CZ2 4.33Å; R712-W742 HydrophobicContact CG-CZ3 3.69Å; F722-W742 AromaticContact CD1-CH2 3.84Å; F722-W742 HydrophobicContact CD1-CH2 3.84Å; F722-W742 AromaticContact CD1-CZ2 3.8Å; F722-W742 HydrophobicContact CD1-CZ2 3.8Å; F722-W742 HydrophobicContact CE1-CH2 4.12Å; F722-W742 AromaticContact CE1-CZ2 3.66Å; F722-W742 HydrophobicContact CE1-CZ2 3.66Å; L740-W742 HydrophobicContact CD2-CH2 3.91Å; L740-W742 HydrophobicContact CD2-CZ2 3.95Å; L740-W742 HydrophobicContact CD2-CZ3 4.47Å; W742-S744 VanDerWaalsContact C-N 3.29Å; W742-S744 PolarHBondContact O-N 3.06Å
743	A	96.1	Very high	95.5	Very high	51 Å²	51	36.1 Å²	36.1	42%	0.421	21%	0.209	S	C	.	.	S	Bend	trans	-70.8	-27.5	-176.2	0	0	0	0	0	113	P660 W704 V706	P660-A743 HydrophobicContact CG-CB 3.46Å; P660-A743 VanDerWaalsContact CG-CB 3.46Å; W704-A743 WeakPolarHBondContact O-CB 3.4Å; W704-A743 PolarHBondContact O-N 3.39Å; V706-A743 HydrophobicContact CG2-CB 4.21Å
744	S	96	Very high	95.4	Very high	42 Å²	42	33.7 Å²	33.7	29%	0.294	19%	0.193	S	C	.	.			trans	-137.7	160.6	179.8	54.9	0	0	0	0	110.7	D703 R712 W742	D703-S744 WeakPolarHBondContact OD1-CB 3.44Å; D703-S744 PolarHBondContact OD1-OG 3Å; R712-S744 PolarHBondContact NH2-O 3.11Å; W742-S744 VanDerWaalsContact C-N 3.29Å; W742-S744 PolarHBondContact O-N 3.06Å
745	Q	97.6	Very high	95.6	Very high	3 Å²	3	32.7 Å²	32.7	1%	0.014	19%	0.187	C	C	.	.			trans	-125.2	67.7	174	-172	64.5	56.7	0	0	109.5	R712 C747 V753 C769 R771 L778 Y792	R712-Q745 VanDerWaalsContact NH2-NE2 3.15Å; Q745-C747 PolarHBondContact NE2-O 2.89Å; Q745-V753 VanDerWaalsContact CD-CG1 3.49Å; Q745-V753 HydrophobicContact CG-CG1 3.54Å; Q745-C769 CarbonylContact O-C 3.57Å; Q745-C769 PolarHBondContact O-SG 3.08Å; Q745-R771 HydrophobicContact CB-CB 4.01Å; Q745-L778 HydrophobicContact CG-CD1 3.89Å; Q745-Y792 HydrophobicContact CG-CE2 4.23Å
746	T	97.8	Very high	95.7	Very high	48 Å²	48	30.8 Å²	30.8	29%	0.294	17%	0.173	S	C	.	.			trans	-91.8	-28.9	171.4	69.4	0	0	0	0	111.7	I702 D703 T748	I702-T746 PolarHBondContact O-OG1 2.91Å; D703-T746 WeakPolarHBondContact OD1-CB 3.34Å; D703-T746 PolarHBondContact OD1-N 3.35Å; D703-T746 PolarHBondContact OD1-OG1 2.82Å; D703-T746 PolarHBondContact OD2-N 2.95Å; D703-T746 VanDerWaalsContact OD2-N 3.09Å; T746-T748 PolarHBondContact O-N 3.42Å; T746-T748 VanDerWaalsContact O-N 3.13Å
747	C	97.9	Very high	95.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.149	C	C	.	.			trans	-62.2	114.2	175.6	-71.3	0	0	0	0	111.2	H701 D703 V714 Q745 L749	H701-C747 HydrophobicContact CB-CB 4.38Å; D703-C747 WeakPolarHBondContact OD2-CB 3.36Å; D703-C747 PolarHBondContact OD2-N 2.9Å; D703-C747 PolarHBondContact OD2-SG 2.8Å; D703-C747 VanDerWaalsContact OD2-SG 3.41Å; V714-C747 HydrophobicContact CG2-CB 3.77Å; Q745-C747 PolarHBondContact NE2-O 2.89Å; C747-L749 PolarHBondContact O-N 3.05Å
748	T	96.7	Very high	95.1	Very high	4 Å²	4	28.7 Å²	28.7	3%	0.025	16%	0.159	C	C	.	.	S	Bend	trans	-71.1	-10.5	176.5	51.9	0	0	0	0	113.9	H701 T746 V753 W757 V766	H701-T748 PolarHBondContact CD2-OG1 3.5Å; H701-T748 VanDerWaalsContact CD2-OG1 3.3Å; H701-T748 WeakPolarHBondContact NE2-CG2 3.35Å; H701-T748 PolarHBondContact NE2-OG1 2.91Å; T746-T748 PolarHBondContact O-N 3.42Å; T746-T748 VanDerWaalsContact O-N 3.13Å; T748-V753 WeakPolarHBondContact O-CG2 3.27Å; T748-W757 PolarHBondContact O-NE1 3.2Å; T748-V766 HydrophobicContact CG2-CG1 4.21Å
749	L	95.1	Very high	94.4	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	18%	0.181	C	C	.	.	S	Bend	trans	-116.7	124.5	171.5	-54.3	179.3	0	0	0	110	F165 I167 V714 I720 C747 W757	F165-L749 HydrophobicContact CE2-CD2 4.03Å; F165-L749 HydrophobicContact CZ-CD2 4.01Å; I167-L749 HydrophobicContact CD1-CD2 3.48Å; I167-L749 VanDerWaalsContact CD1-CD2 3.48Å; V714-L749 HydrophobicContact CG1-CB 4.39Å; V714-L749 HydrophobicContact CG1-CD1 3.77Å; V714-L749 HydrophobicContact CG1-CG 3.96Å; V714-L749 HydrophobicContact CG2-CB 3.86Å; V714-L749 HydrophobicContact CG2-CG 4.34Å; I720-L749 HydrophobicContact CD1-CB 3.65Å; I720-L749 HydrophobicContact CG1-CB 3.72Å; I720-L749 HydrophobicContact CG1-CD1 4.23Å; C747-L749 PolarHBondContact O-N 3.05Å; L749-W757 HydrophobicContact CD2-CZ2 3.79Å
750	G	95	Very high	93.5	Very high	6 Å²	6	31.3 Å²	31.3	6%	0.062	18%	0.183	C	C	.	.	S	Bend	trans	178.4	172.1	-177.1	0	0	0	0	0	110.5	E752 A754	G750-E752 VanDerWaalsContact C-N 3.31Å; G750-A754 PolarHBondContact O-N 3.36Å
751	W	93.9	Very high	92.8	Very high	10 Å²	10	30.1 Å²	30.1	4%	0.038	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-40.3	175	155.3	-106.4	0	0	0	110.9	L163 V174 Y175 M176 P177 I180 Y184 V753 N795	L163-W751 HydrophobicContact CB-CE3 3.92Å; L163-W751 HydrophobicContact CB-CZ3 3.81Å; L163-W751 HydrophobicContact CD2-CE3 3.89Å; L163-W751 HydrophobicContact CD2-CZ3 3.77Å; L163-W751 HydrophobicContact CG-CZ3 4.28Å; V174-W751 HydrophobicContact CB-CB 4.29Å; V174-W751 HydrophobicContact CG2-CB 4.26Å; Y175-W751 WeakPolarHBondContact O-CB 3.47Å; M176-W751 HydrophobicContact CB-CD2 4.04Å; M176-W751 HydrophobicContact CB-CE3 3.97Å; M176-W751 HydrophobicContact CB-CH2 4.02Å; M176-W751 HydrophobicContact CB-CZ2 4.16Å; M176-W751 HydrophobicContact CB-CZ3 3.96Å; M176-W751 HydrophobicContact CE-CH2 3.42Å; M176-W751 VanDerWaalsContact CE-CH2 3.42Å; M176-W751 HydrophobicContact CE-CZ2 4.26Å; M176-W751 HydrophobicContact CE-CZ3 3.68Å; M176-W751 HydrophobicContact CG-CD2 4.13Å; M176-W751 HydrophobicContact CG-CE3 4.29Å; M176-W751 HydrophobicContact CG-CH2 3.54Å; M176-W751 HydrophobicContact CG-CZ2 3.41Å; M176-W751 VanDerWaalsContact CG-CZ2 3.41Å; M176-W751 HydrophobicContact CG-CZ3 4.02Å; M176-W751 HydrophobicContact SD-CH2 3.43Å; M176-W751 WeakPolarHBondContact SD-CH2 3.4Å; M176-W751 HydrophobicContact SD-CZ2 3.68Å; M176-W751 HydrophobicContact SD-CZ3 4.19Å; P177-W751 VanDerWaalsContact CD-NE1 3.33Å; I180-W751 HydrophobicContact CD1-CZ2 4.5Å; I180-W751 HydrophobicContact CG2-CZ2 4.26Å; Y184-W751 HydrophobicContact CD1-CH2 4.23Å; Y184-W751 AromaticContact CD2-CH2 3.53Å; Y184-W751 HydrophobicContact CD2-CH2 3.53Å; Y184-W751 HydrophobicContact CD2-CZ2 4.13Å; Y184-W751 HydrophobicContact CE1-CH2 4Å; Y184-W751 HydrophobicContact CE1-CZ3 4.22Å; Y184-W751 AromaticContact CE2-CH2 3.27Å; Y184-W751 HydrophobicContact CE2-CH2 3.27Å; Y184-W751 HydrophobicContact CE2-CZ2 4Å; Y184-W751 HydrophobicContact CE2-CZ3 4.11Å; Y184-W751 AromaticContact CG-CH2 3.99Å; Y184-W751 HydrophobicContact CG-CH2 3.99Å; Y184-W751 AromaticContact CZ-CH2 3.51Å; Y184-W751 AromaticContact CZ-CZ3 3.88Å; W751-V753 PolarHBondContact O-N 3.18Å; W751-N795 HydrophobicContact CD2-CB 4.33Å; W751-N795 HydrophobicContact CE3-CB 4.39Å; W751-N795 HydrophobicContact CH2-CB 4.13Å; W751-N795 HydrophobicContact CZ2-CB 4Å; W751-N795 WeakPolarHBondContact CZ2-ND2 3.41Å; W751-N795 HydrophobicContact CZ3-CB 4.29Å; W751-N795 VanDerWaalsContact O-CB 3.27Å; W751-N795 WeakPolarHBondContact O-CB 3.41Å
752	E	95.7	Very high	92	Very high	28 Å²	28	24.8 Å²	24.8	13%	0.131	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-13.6	-173.1	-51.1	90.7	149.2	0	0	113	R712 G750 Y792 P793 T794	R712-E752 IonicContact NH1-OE1 2.9Å; R712-E752 PolarHBondContact NH1-OE1 2.84Å; R712-E752 IonicContact NH1-OE2 3.03Å; R712-E752 PolarHBondContact NH1-OE2 3.46Å; G750-E752 VanDerWaalsContact C-N 3.31Å; E752-Y792 HydrophobicContact CB-CE2 3.84Å; E752-P793 HydrophobicContact CB-CB 4.25Å; E752-P793 CarbonylContact O-C 3.54Å; E752-T794 PolarHBondContact O-N 3.48Å
753	V	96.4	Very high	91.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.3	3.6	-172.5	-59.6	0	0	0	0	114.3	Q745 T748 W751 G755 I756 L778 T794	Q745-V753 VanDerWaalsContact CD-CG1 3.49Å; Q745-V753 HydrophobicContact CG-CG1 3.54Å; T748-V753 WeakPolarHBondContact O-CG2 3.27Å; W751-V753 PolarHBondContact O-N 3.18Å; V753-G755 PolarHBondContact O-N 2.92Å; V753-I756 HydrophobicContact CB-CD1 4.26Å; V753-I756 HydrophobicContact CB-CG2 4.33Å; V753-I756 VanDerWaalsContact O-CG1 3.32Å; V753-I756 WeakPolarHBondContact O-CG1 3.47Å; V753-I756 WeakPolarHBondContact O-CG2 3.43Å; V753-I756 PolarHBondContact O-N 2.85Å; V753-L778 HydrophobicContact CB-CD2 4.32Å; V753-L778 HydrophobicContact CG1-CD1 4.1Å; V753-L778 HydrophobicContact CG1-CD2 3.72Å; V753-T794 CarbonylContact C-O 3.55Å; V753-T794 VanDerWaalsContact C-O 3.24Å
754	A	94.1	Very high	90.7	Very high	10 Å²	10	24.3 Å²	24.3	8%	0.083	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-53.4	-27.3	-175.4	0	0	0	0	0	114.6	L163 F165 V174 G750 T794	L163-A754 HydrophobicContact CD2-CB 3.71Å; F165-A754 HydrophobicContact CD1-CB 3.87Å; F165-A754 HydrophobicContact CE1-CB 3.81Å; F165-A754 HydrophobicContact CZ-CB 4.45Å; V174-A754 HydrophobicContact CG2-CB 4.46Å; G750-A754 PolarHBondContact O-N 3.36Å; A754-T794 PolarHBondContact N-O 3.38Å
755	G	93.9	Very high	90.3	Very high	4 Å²	4	22.4 Å²	22.4	4%	0.041	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-82.1	-6	-179.5	0	0	0	0	0	116.5	V753 W757 T794 K796	V753-G755 PolarHBondContact O-N 2.92Å; G755-W757 VanDerWaalsContact C-N 3.25Å; G755-W757 PolarHBondContact O-N 3.36Å; G755-T794 WeakPolarHBondContact CA-O 3.44Å; G755-T794 PolarHBondContact N-O 3.43Å; G755-K796 WeakPolarHBondContact CA-O 3.33Å
756	I	95.3	Very high	90.2	Very high	6 Å²	6	22.6 Å²	22.6	3%	0.031	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-70	-24.9	177.7	72.6	-174.4	0	0	0	112.6	V753 P758 V766 L778 T780 F790 T794	V753-I756 HydrophobicContact CB-CD1 4.26Å; V753-I756 HydrophobicContact CB-CG2 4.33Å; V753-I756 VanDerWaalsContact O-CG1 3.32Å; V753-I756 WeakPolarHBondContact O-CG1 3.47Å; V753-I756 WeakPolarHBondContact O-CG2 3.43Å; V753-I756 PolarHBondContact O-N 2.85Å; I756-P758 WeakPolarHBondContact O-CD 3.41Å; I756-V766 HydrophobicContact CD1-CG1 3.97Å; I756-L778 HydrophobicContact CG2-CD2 3.51Å; I756-T780 HydrophobicContact CB-CG2 4.06Å; I756-T780 HydrophobicContact CD1-CG2 4.15Å; I756-T780 HydrophobicContact CG2-CG2 3.82Å; I756-F790 HydrophobicContact CB-CE2 4.34Å; I756-F790 HydrophobicContact CB-CZ 4.2Å; I756-F790 HydrophobicContact CG2-CD2 4.34Å; I756-F790 HydrophobicContact CG2-CE2 4.18Å; I756-F790 HydrophobicContact CG2-CZ 4.33Å; I756-T794 HydrophobicContact CG2-CG2 3.91Å
757	W	92.2	Very high	90.1	Very high	23 Å²	23	21.7 Å²	21.7	9%	0.087	13%	0.131	C	C	.	.	S	Bend	trans	-78.9	126.2	-172.8	-66.7	98.5	0	0	0	112	I167 T748 L749 G755 S761 G763 V766	I167-W757 HydrophobicContact CD1-CD2 4.17Å; I167-W757 HydrophobicContact CD1-CG 4.46Å; I167-W757 HydrophobicContact CD1-CZ2 4.44Å; T748-W757 PolarHBondContact O-NE1 3.2Å; L749-W757 HydrophobicContact CD2-CZ2 3.79Å; G755-W757 VanDerWaalsContact C-N 3.25Å; G755-W757 PolarHBondContact O-N 3.36Å; W757-S761 VanDerWaalsContact CE3-OG 3.23Å; W757-G763 VanDerWaalsContact CH2-O 3.28Å; W757-G763 WeakPolarHBondContact CH2-O 3.11Å; W757-V766 HydrophobicContact CD2-CG2 4.34Å; W757-V766 HydrophobicContact CE3-CB 4.16Å; W757-V766 HydrophobicContact CE3-CG2 3.83Å; W757-V766 HydrophobicContact CH2-CB 3.81Å; W757-V766 HydrophobicContact CH2-CG2 4.4Å; W757-V766 HydrophobicContact CZ2-CB 4.25Å; W757-V766 HydrophobicContact CZ3-CB 3.74Å; W757-V766 HydrophobicContact CZ3-CG2 3.86Å
758	P	86	Confident	90.1	Very high	43 Å²	43	22 Å²	22	28%	0.279	13%	0.133	S	C	.	.			trans	-56.2	151	170.3	-25.9	34.1	0	0	0	113	I756 D760 S761	I756-P758 WeakPolarHBondContact O-CD 3.41Å; P758-D760 PolarHBondContact O-N 2.88Å; P758-S761 WeakPolarHBondContact O-CB 3.43Å; P758-S761 PolarHBondContact O-N 2.93Å
759	S	79.7	Confident	90.2	Very high	91 Å²	91	22 Å²	22	64%	0.636	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-24	-179.1	48.3	0	0	0	0	114.6
760	D	77.2	Confident	90.4	Very high	99 Å²	99	22.3 Å²	22.3	53%	0.529	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	12.8	175.2	54	-28.9	0	0	0	112.3	P758	P758-D760 PolarHBondContact O-N 2.88Å
761	S	81	Confident	90.5	Very high	12 Å²	12	26 Å²	26	8%	0.084	15%	0.147	C	C	.	.			trans	-65.5	140.6	-174	-176.4	0	0	0	0	113.5	W757 P758 G763 D765	W757-S761 VanDerWaalsContact CE3-OG 3.23Å; P758-S761 WeakPolarHBondContact O-CB 3.43Å; P758-S761 PolarHBondContact O-N 2.93Å; S761-G763 PolarHBondContact OG-N 2.95Å; S761-G763 VanDerWaalsContact OG-N 3.11Å; S761-D765 WeakPolarHBondContact CA-OD2 3.3Å; S761-D765 VanDerWaalsContact CB-OD2 3.23Å; S761-D765 WeakPolarHBondContact CB-OD2 3.29Å; S761-D765 PolarHBondContact OG-OD2 3.41Å
762	D	79	Confident	90.7	Very high	14 Å²	14	25.7 Å²	25.7	8%	0.075	15%	0.146	C	C	.	.			trans	-94.4	2.8	175.1	93.2	-25.3	0	0	0	113.1	A34 R38 R168 Y718 T764 D765	A34-D762 WeakPolarHBondContact CB-OD2 3.28Å; R38-D762 IonicContact NH1-OD1 3.6Å; R38-D762 IonicContact NH1-OD2 3.08Å; R168-D762 VanDerWaalsContact CD-O 3.28Å; R168-D762 WeakPolarHBondContact CD-O 3.43Å; R168-D762 HydrophobicContact CG-CB 4.25Å; R168-D762 VanDerWaalsContact CG-O 3.29Å; R168-D762 WeakPolarHBondContact CG-O 3.32Å; R168-D762 IonicContact CZ-OD2 2.98Å; R168-D762 PolarHBondContact NE-O 2.68Å; R168-D762 IonicContact NE-OD2 2.69Å; R168-D762 VanDerWaalsContact NH2-CG 3.33Å; R168-D762 PolarHBondContact NH2-O 2.74Å; R168-D762 IonicContact NH2-OD1 3.31Å; R168-D762 IonicContact NH2-OD2 3.2Å; R168-D762 PolarHBondContact NH2-OD2 2.54Å; Y718-D762 PolarHBondContact OH-O 3.24Å; D762-T764 PolarHBondContact O-N 3.22Å; D762-T764 PolarHBondContact OD1-N 2.96Å; D762-T764 PolarHBondContact OD1-OG1 2.92Å; D762-T764 PolarHBondContact OD2-OG1 2.93Å; D762-T764 VanDerWaalsContact OD2-OG1 3.09Å; D762-D765 PolarHBondContact N-OD2 3.33Å; D762-D765 PolarHBondContact OD1-N 3.03Å
763	G	79.1	Confident	90.6	Very high	6 Å²	6	27.6 Å²	27.6	6%	0.062	16%	0.161	C	C	.	.	S	Bend	trans	78.5	-4.3	177.9	0	0	0	0	0	115.1	I167 Y718 W757 S761	I167-G763 VanDerWaalsContact CG2-CA 3.43Å; Y718-G763 VanDerWaalsContact CE1-O 3.26Å; Y718-G763 WeakPolarHBondContact CE1-O 3.22Å; W757-G763 VanDerWaalsContact CH2-O 3.28Å; W757-G763 WeakPolarHBondContact CH2-O 3.11Å; S761-G763 PolarHBondContact OG-N 2.95Å; S761-G763 VanDerWaalsContact OG-N 3.11Å
764	T	84.4	Confident	90.5	Very high	60 Å²	60	32.2 Å²	32.2	37%	0.368	19%	0.19	S	C	.	.			trans	-102	-11.6	166.6	40	0	0	0	0	112.6	D762 V766	D762-T764 PolarHBondContact O-N 3.22Å; D762-T764 PolarHBondContact OD1-N 2.96Å; D762-T764 PolarHBondContact OD1-OG1 2.92Å; D762-T764 PolarHBondContact OD2-OG1 2.93Å; D762-T764 VanDerWaalsContact OD2-OG1 3.09Å; T764-V766 VanDerWaalsContact C-N 3.26Å; T764-V766 PolarHBondContact O-N 3.31Å; T764-V766 VanDerWaalsContact O-N 3.13Å
765	D	88.1	Confident	90.4	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.011	20%	0.195	C	C	.	.	S	Bend	trans	-58.7	-28	-175.9	-55.3	-70.9	0	0	0	115.3	R38 S761 D762 D782 D783 Y784	R38-D765 IonicContact CZ-OD1 2.76Å; R38-D765 IonicContact NH1-OD1 3.81Å; R38-D765 PolarHBondContact NH1-OD1 3.22Å; S761-D765 WeakPolarHBondContact CA-OD2 3.3Å; S761-D765 VanDerWaalsContact CB-OD2 3.23Å; S761-D765 WeakPolarHBondContact CB-OD2 3.29Å; S761-D765 PolarHBondContact OG-OD2 3.41Å; D762-D765 PolarHBondContact N-OD2 3.33Å; D762-D765 PolarHBondContact OD1-N 3.03Å; D765-D782 CarbonylContact O-C 3.55Å; D765-D782 WeakPolarHBondContact O-CA 3.38Å; D765-D782 WeakPolarHBondContact O-CB 3.27Å; D765-D783 PolarHBondContact O-N 2.82Å; D765-Y784 HydrophobicContact CB-CE2 4.07Å; D765-Y784 PolarHBondContact OD1-OH 3.14Å
766	V	95.1	Very high	90.5	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.042	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	112.9	-177.5	-175.3	0	0	0	0	109.6	T748 I756 W757 T764 T780	T748-V766 HydrophobicContact CG2-CG1 4.21Å; I756-V766 HydrophobicContact CD1-CG1 3.97Å; W757-V766 HydrophobicContact CD2-CG2 4.34Å; W757-V766 HydrophobicContact CE3-CB 4.16Å; W757-V766 HydrophobicContact CE3-CG2 3.83Å; W757-V766 HydrophobicContact CH2-CB 3.81Å; W757-V766 HydrophobicContact CH2-CG2 4.4Å; W757-V766 HydrophobicContact CZ2-CB 4.25Å; W757-V766 HydrophobicContact CZ3-CB 3.74Å; W757-V766 HydrophobicContact CZ3-CG2 3.86Å; T764-V766 VanDerWaalsContact C-N 3.26Å; T764-V766 PolarHBondContact O-N 3.31Å; T764-V766 VanDerWaalsContact O-N 3.13Å; V766-T780 HydrophobicContact CG1-CG2 4.45Å
767	N	96.6	Very high	90.7	Very high	29 Å²	29	38.3 Å²	38.3	16%	0.155	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-32.9	-173.5	-69.3	-56.3	0	0	0	113.4	W526 H701 G781 D783 V811	W526-N767 HydrophobicContact CZ3-CB 4.39Å; H701-N767 PolarHBondContact CE1-O 3.41Å; N767-G781 PolarHBondContact N-O 3.18Å; N767-D783 PolarHBondContact ND2-OD1 2.75Å; N767-V811 WeakPolarHBondContact CB-O 3.46Å; N767-V811 PolarHBondContact ND2-O 2.91Å
768	A	98	Very high	91	Very high	5 Å²	5	37.2 Å²	37.2	4%	0.041	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	154.2	-175.7	0	0	0	0	0	111.9	T780 G781 V814	A768-T780 CarbonylContact O-C 3.59Å; A768-T780 VanDerWaalsContact O-CA 3.25Å; A768-T780 WeakPolarHBondContact O-CA 3.5Å; A768-G781 PolarHBondContact O-N 2.73Å; A768-V814 HydrophobicContact CB-CG2 4.15Å
769	C	98.4	Very high	91.6	Very high	4 Å²	4	35.2 Å²	35.2	3%	0.027	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	156.5	166.1	65.8	0	0	0	0	110.9	Q745 L778 A779 T780	Q745-C769 CarbonylContact O-C 3.57Å; Q745-C769 PolarHBondContact O-SG 3.08Å; C769-L778 HydrophobicContact CB-CD1 4.4Å; C769-A779 WeakPolarHBondContact CA-O 3.48Å; C769-A779 WeakPolarHBondContact CB-O 3.2Å; C769-T780 HydrophobicContact CB-CG2 3.92Å
770	D	98.5	Very high	92.5	Very high	10 Å²	10	30.9 Å²	30.9	5%	0.053	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	148.7	170	-167.9	13.9	0	0	0	109.8	K530 L778 A779 T815 F816	K530-D770 IonicContact NZ-OD1 3.76Å; K530-D770 IonicContact NZ-OD2 2.75Å; K530-D770 PolarHBondContact NZ-OD2 3.03Å; D770-L778 WeakPolarHBondContact O-CD1 3.44Å; D770-A779 PolarHBondContact N-O 2.64Å; D770-A779 VanDerWaalsContact N-O 3.08Å; D770-A779 PolarHBondContact O-N 2.88Å; D770-T815 WeakPolarHBondContact OD2-CA 3.48Å; D770-T815 WeakPolarHBondContact OD2-CB 3.26Å; D770-T815 PolarHBondContact OD2-OG1 3.22Å; D770-F816 HydrophobicContact CB-CD2 4.3Å; D770-F816 WeakPolarHBondContact O-CE2 3.49Å; D770-F816 PolarHBondContact OD2-N 2.82Å
771	R	97.9	Very high	93.5	Very high	84 Å²	84	26.1 Å²	26.1	32%	0.317	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	139.2	176	-173.6	179.5	82.2	140	-11.4	109.3	Q745 L778 Y792	Q745-R771 HydrophobicContact CB-CB 4.01Å; R771-L778 HydrophobicContact CB-CD1 4.38Å; R771-Y792 HydrophobicContact CG-CD1 4.26Å; R771-Y792 HydrophobicContact CG-CD2 3.96Å; R771-Y792 HydrophobicContact CG-CE1 4.46Å; R771-Y792 HydrophobicContact CG-CE2 4.16Å; R771-Y792 HydrophobicContact CG-CG 3.99Å
772	S	97.3	Very high	94.2	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.021	15%	0.147	C	C	.	.			trans	-64.9	136.8	170.7	173.1	0	0	0	0	110.6	T774 A775 I777	S772-T774 PolarHBondContact O-N 3.16Å; S772-T774 PolarHBondContact OG-N 2.88Å; S772-A775 WeakPolarHBondContact CB-O 3.4Å; S772-A775 PolarHBondContact OG-N 2.95Å; S772-I777 VanDerWaalsContact CB-CG1 3.43Å; S772-I777 PolarHBondContact N-O 2.88Å
773	P	94.6	Very high	94.9	Very high	67 Å²	67	25.9 Å²	25.9	44%	0.435	15%	0.148	S	C	.	.	S	Bend	trans	-70.9	-16.6	176.8	29.6	-35.3	0	0	0	113.2	Y818	P773-Y818 WeakPolarHBondContact CG-O 3.49Å
774	T	93.3	Very high	95.5	Very high	98 Å²	98	29.3 Å²	29.3	60%	0.601	16%	0.159	S	C	*	.	S	Bend	trans	-126.1	-11	-169.2	48.6	0	0	0	0	115	S772 D819	S772-T774 PolarHBondContact O-N 3.16Å; S772-T774 PolarHBondContact OG-N 2.88Å; T774-D819 WeakPolarHBondContact CG2-O 3.46Å; T774-D819 PolarHBondContact OG1-O 3.21Å
775	A	93.3	Very high	96	Very high	24 Å²	24	26.5 Å²	26.5	20%	0.198	14%	0.142	C	C	.	.	S	Bend	trans	-137.2	152.4	-179.3	0	0	0	0	0	112	S772 I777	S772-A775 WeakPolarHBondContact CB-O 3.4Å; S772-A775 PolarHBondContact OG-N 2.95Å; A775-I777 HydrophobicContact CB-CD1 4.06Å; A775-I777 HydrophobicContact CB-CG1 4.04Å; A775-I777 PolarHBondContact O-N 3.37Å
776	D	96.3	Very high	96.4	Very high	119 Å²	119	28 Å²	28	64%	0.636	15%	0.149	S	C	*	.	S	Bend	trans	-75.4	57.9	178	-69.9	-37.2	0	0	0	112.3	K791 Y792	D776-K791 WeakPolarHBondContact O-CA 3.41Å; D776-Y792 PolarHBondContact O-N 2.77Å
777	I	98.1	Very high	96.6	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.026	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	148	-178.8	64.5	-175.2	0	0	0	111.7	P193 T195 S772 A775 L789 F790 F816 V838	P193-I777 HydrophobicContact CB-CG2 4Å; T195-I777 HydrophobicContact CG2-CD1 4Å; S772-I777 VanDerWaalsContact CB-CG1 3.43Å; S772-I777 PolarHBondContact N-O 2.88Å; A775-I777 HydrophobicContact CB-CD1 4.06Å; A775-I777 HydrophobicContact CB-CG1 4.04Å; A775-I777 PolarHBondContact O-N 3.37Å; I777-L789 HydrophobicContact CB-CD1 4.2Å; I777-L789 HydrophobicContact CB-CG 4.46Å; I777-L789 HydrophobicContact CD1-CD1 4.2Å; I777-L789 HydrophobicContact CD1-CD2 4.5Å; I777-L789 HydrophobicContact CG1-CD1 4.38Å; I777-F790 VanDerWaalsContact CA-O 3.27Å; I777-F790 WeakPolarHBondContact CA-O 2.96Å; I777-F816 HydrophobicContact CD1-CE1 3.94Å; I777-F816 HydrophobicContact CD1-CZ 3.95Å; I777-F816 HydrophobicContact CG1-CE1 4.35Å; I777-F816 HydrophobicContact CG1-CZ 3.91Å; I777-V838 HydrophobicContact CD1-CG1 3.95Å
778	L	98.6	Very high	96.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.5	176.8	-175.5	84.2	0	0	0	108.8	Q745 V753 I756 C769 D770 R771 T780 L789 F790 Y792 T794	Q745-L778 HydrophobicContact CG-CD1 3.89Å; V753-L778 HydrophobicContact CB-CD2 4.32Å; V753-L778 HydrophobicContact CG1-CD1 4.1Å; V753-L778 HydrophobicContact CG1-CD2 3.72Å; I756-L778 HydrophobicContact CG2-CD2 3.51Å; C769-L778 HydrophobicContact CB-CD1 4.4Å; D770-L778 WeakPolarHBondContact O-CD1 3.44Å; R771-L778 HydrophobicContact CB-CD1 4.38Å; L778-T780 HydrophobicContact CD2-CG2 4.32Å; L778-L789 WeakPolarHBondContact O-CA 3.38Å; L778-F790 HydrophobicContact CB-CB 4.43Å; L778-F790 PolarHBondContact N-O 3.46Å; L778-F790 PolarHBondContact O-N 3Å; L778-Y792 HydrophobicContact CB-CD2 4.29Å; L778-Y792 HydrophobicContact CD1-CD2 4.09Å; L778-T794 WeakPolarHBondContact CD2-OG1 3.4Å
779	A	98.7	Very high	96.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	148.2	171.4	0	0	0	0	0	110.7	C769 D770 K788 L789 V814 F816 L823	C769-A779 WeakPolarHBondContact CA-O 3.48Å; C769-A779 WeakPolarHBondContact CB-O 3.2Å; D770-A779 PolarHBondContact N-O 2.64Å; D770-A779 VanDerWaalsContact N-O 3.08Å; D770-A779 PolarHBondContact O-N 2.88Å; A779-K788 CarbonylContact C-O 3.52Å; A779-K788 VanDerWaalsContact CA-O 3.29Å; A779-K788 WeakPolarHBondContact CA-O 3.37Å; A779-L789 HydrophobicContact CB-CD1 4.3Å; A779-V814 HydrophobicContact CB-CG2 4.44Å; A779-F816 HydrophobicContact CB-CD2 4.49Å; A779-F816 HydrophobicContact CB-CE2 3.58Å; A779-F816 HydrophobicContact CB-CZ 3.78Å; A779-L823 HydrophobicContact CB-CD1 3.53Å; A779-L823 HydrophobicContact CB-CD2 3.71Å; A779-L823 HydrophobicContact CB-CG 4.3Å
780	T	98.7	Very high	96.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	145.1	171.8	70.9	0	0	0	0	111.8	I756 V766 A768 C769 L778 V787 K788 F790	I756-T780 HydrophobicContact CB-CG2 4.06Å; I756-T780 HydrophobicContact CD1-CG2 4.15Å; I756-T780 HydrophobicContact CG2-CG2 3.82Å; V766-T780 HydrophobicContact CG1-CG2 4.45Å; A768-T780 CarbonylContact O-C 3.59Å; A768-T780 VanDerWaalsContact O-CA 3.25Å; A768-T780 WeakPolarHBondContact O-CA 3.5Å; C769-T780 HydrophobicContact CB-CG2 3.92Å; L778-T780 HydrophobicContact CD2-CG2 4.32Å; T780-V787 WeakPolarHBondContact O-CA 3.3Å; T780-K788 PolarHBondContact N-O 3.07Å; T780-K788 PolarHBondContact O-N 3.39Å; T780-F790 HydrophobicContact CG2-CD2 4.18Å; T780-F790 HydrophobicContact CG2-CE2 3.88Å
781	G	98.3	Very high	96.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	136.5	166.8	0	0	0	0	0	111.6	N767 A768	N767-G781 PolarHBondContact N-O 3.18Å; A768-G781 PolarHBondContact O-N 2.73Å
782	D	95.4	Very high	96.6	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.011	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	164.1	-178.7	78.5	19	0	0	0	115.1	D765 Y784 G785 K786 K788 V811	D765-D782 CarbonylContact O-C 3.55Å; D765-D782 WeakPolarHBondContact O-CA 3.38Å; D765-D782 WeakPolarHBondContact O-CB 3.27Å; D782-Y784 HydrophobicContact CB-CD2 4.45Å; D782-Y784 PolarHBondContact O-N 3.12Å; D782-Y784 VanDerWaalsContact O-N 3.13Å; D782-Y784 WeakPolarHBondContact OD1-CA 3.39Å; D782-Y784 WeakPolarHBondContact OD1-CB 3.39Å; D782-Y784 PolarHBondContact OD1-N 3.01Å; D782-G785 PolarHBondContact O-N 2.98Å; D782-G785 PolarHBondContact OD1-N 3.38Å; D782-K786 PolarHBondContact N-O 2.89Å; D782-K786 VanDerWaalsContact N-O 3.17Å; D782-K786 WeakPolarHBondContact OD1-CB 3.36Å; D782-K786 PolarHBondContact OD1-N 2.92Å; D782-K788 WeakPolarHBondContact OD2-CE 3.32Å; D782-K788 IonicContact OD2-NZ 3.39Å; D782-K788 PolarHBondContact OD2-NZ 2.83Å; D782-V811 PolarHBondContact O-N 2.81Å
783	D	93.7	Very high	96.5	Very high	18 Å²	18	29.7 Å²	29.7	10%	0.096	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-11.3	178	-96	7.5	0	0	0	114	D765 N767 H810	D765-D783 PolarHBondContact O-N 2.82Å; N767-D783 PolarHBondContact ND2-OD1 2.75Å; D783-H810 PolarHBondContact O-ND1 3.35Å; D783-H810 WeakPolarHBondContact OD1-CB 3.2Å; D783-H810 IonicContact OD1-CD2 3.32Å; D783-H810 IonicContact OD1-CE1 2.77Å; D783-H810 IonicContact OD1-CG 3.02Å; D783-H810 VanDerWaalsContact OD1-CG 3.23Å; D783-H810 IonicContact OD1-ND1 3.49Å
784	Y	92	Very high	96.6	Very high	79 Å²	79	26.5 Å²	26.5	31%	0.31	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	15.1	-177.3	-50.2	-74.3	0	0	0	112.9	R38 H270 D765 D782 K786	R38-Y784 WeakPolarHBondContact CD-OH 3.34Å; R38-Y784 PolarHBondContact NE-OH 3.09Å; R38-Y784 PolarHBondContact NH1-OH 2.59Å; H270-Y784 HydrophobicContact CB-CD1 4.47Å; D765-Y784 HydrophobicContact CB-CE2 4.07Å; D765-Y784 PolarHBondContact OD1-OH 3.14Å; D782-Y784 HydrophobicContact CB-CD2 4.45Å; D782-Y784 PolarHBondContact O-N 3.12Å; D782-Y784 VanDerWaalsContact O-N 3.13Å; D782-Y784 WeakPolarHBondContact OD1-CA 3.39Å; D782-Y784 WeakPolarHBondContact OD1-CB 3.39Å; D782-Y784 PolarHBondContact OD1-N 3.01Å; Y784-K786 VanDerWaalsContact C-N 3.29Å; Y784-K786 VanDerWaalsContact O-CE 3.29Å; Y784-K786 WeakPolarHBondContact O-CE 3.46Å; Y784-K786 PolarHBondContact O-N 2.88Å
785	G	95.4	Very high	96.6	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.01	11%	0.112	C	C	.	.	S	Bend	trans	70.7	21.1	-179.6	0	0	0	0	0	113.9	D782 S809	D782-G785 PolarHBondContact O-N 2.98Å; D782-G785 PolarHBondContact OD1-N 3.38Å; G785-S809 WeakPolarHBondContact CA-O 3.01Å; G785-S809 PolarHBondContact N-O 3.05Å
786	K	96.3	Very high	96.6	Very high	33 Å²	33	22.5 Å²	22.5	14%	0.143	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	129	179.4	-47	-55.2	167.1	-155.7	0	111.3	D782 Y784 K788 N805	D782-K786 PolarHBondContact N-O 2.89Å; D782-K786 VanDerWaalsContact N-O 3.17Å; D782-K786 WeakPolarHBondContact OD1-CB 3.36Å; D782-K786 PolarHBondContact OD1-N 2.92Å; Y784-K786 VanDerWaalsContact C-N 3.29Å; Y784-K786 VanDerWaalsContact O-CE 3.29Å; Y784-K786 WeakPolarHBondContact O-CE 3.46Å; Y784-K786 PolarHBondContact O-N 2.88Å; K786-K788 HydrophobicContact CB-CG 4.4Å; K786-N805 PolarHBondContact NZ-OD1 3.44Å
787	V	98.5	Very high	96.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	129.8	155	178.6	0	0	0	0	106.9	L197 T780 A803 Y804 V811 L823 W836	L197-V787 HydrophobicContact CD1-CG1 3.94Å; T780-V787 WeakPolarHBondContact O-CA 3.3Å; V787-A803 WeakPolarHBondContact O-CA 3.48Å; V787-Y804 PolarHBondContact N-O 3.12Å; V787-Y804 WeakPolarHBondContact O-CD2 3.42Å; V787-Y804 PolarHBondContact O-N 3.36Å; V787-V811 HydrophobicContact CG2-CG1 4.27Å; V787-L823 HydrophobicContact CG1-CD2 3.61Å; V787-W836 HydrophobicContact CB-CZ2 4.26Å; V787-W836 HydrophobicContact CG2-CZ2 3.82Å
788	K	98.3	Very high	96	Very high	17 Å²	17	25.7 Å²	25.7	7%	0.074	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	145.8	175.3	-65.4	165.5	175.9	149.7	0	110.7	A779 T780 D782 K786 F790 F801 R802 A803	A779-K788 CarbonylContact C-O 3.52Å; A779-K788 VanDerWaalsContact CA-O 3.29Å; A779-K788 WeakPolarHBondContact CA-O 3.37Å; T780-K788 PolarHBondContact N-O 3.07Å; T780-K788 PolarHBondContact O-N 3.39Å; D782-K788 WeakPolarHBondContact OD2-CE 3.32Å; D782-K788 IonicContact OD2-NZ 3.39Å; D782-K788 PolarHBondContact OD2-NZ 2.83Å; K786-K788 HydrophobicContact CB-CG 4.4Å; K788-F790 HydrophobicContact CB-CD2 4.31Å; K788-F790 HydrophobicContact CB-CE2 3.64Å; K788-F790 HydrophobicContact CB-CZ 4.32Å; K788-F790 HydrophobicContact CD-CE2 4.29Å; K788-F790 HydrophobicContact CD-CZ 4.27Å; K788-F801 HydrophobicContact CB-CB 4.39Å; K788-F801 HydrophobicContact CB-CD2 4.17Å; K788-F801 HydrophobicContact CB-CG 4.37Å; K788-F801 HydrophobicContact CD-CD2 3.92Å; K788-F801 HydrophobicContact CD-CE1 4.47Å; K788-F801 HydrophobicContact CD-CE2 3.89Å; K788-F801 HydrophobicContact CD-CG 4.25Å; K788-F801 HydrophobicContact CD-CZ 4.17Å; K788-F801 HydrophobicContact CG-CD2 3.75Å; K788-F801 HydrophobicContact CG-CE2 4.02Å; K788-F801 HydrophobicContact CG-CG 4.32Å; K788-R802 CarbonylContact C-O 3.54Å; K788-R802 VanDerWaalsContact CA-O 3.23Å; K788-R802 WeakPolarHBondContact CA-O 3.28Å; K788-A803 HydrophobicContact CG-CB 4.16Å
789	L	98.5	Very high	95.8	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125.2	176.4	-164.8	77	0	0	0	110.4	P193 T195 L197 I777 L778 A779 F801 R802 Y804 F816	P193-L789 HydrophobicContact CB-CD2 4.49Å; P193-L789 VanDerWaalsContact CD-O 3.31Å; P193-L789 WeakPolarHBondContact CD-O 3.45Å; P193-L789 HydrophobicContact CG-CB 4.27Å; P193-L789 HydrophobicContact CG-CD2 3.86Å; P193-L789 HydrophobicContact CG-CG 3.89Å; P193-L789 WeakPolarHBondContact CG-O 3.5Å; T195-L789 HydrophobicContact CG2-CD2 4.38Å; L197-L789 HydrophobicContact CD2-CD1 4.44Å; L197-L789 HydrophobicContact CD2-CD2 4.36Å; L197-L789 HydrophobicContact CG-CD2 4.24Å; I777-L789 HydrophobicContact CB-CD1 4.2Å; I777-L789 HydrophobicContact CB-CG 4.46Å; I777-L789 HydrophobicContact CD1-CD1 4.2Å; I777-L789 HydrophobicContact CD1-CD2 4.5Å; I777-L789 HydrophobicContact CG1-CD1 4.38Å; L778-L789 WeakPolarHBondContact O-CA 3.38Å; A779-L789 HydrophobicContact CB-CD1 4.3Å; L789-F801 VanDerWaalsContact O-CA 3.32Å; L789-F801 WeakPolarHBondContact O-CA 3.34Å; L789-F801 WeakPolarHBondContact O-CB 3.2Å; L789-R802 PolarHBondContact N-O 3.02Å; L789-R802 PolarHBondContact O-N 2.8Å; L789-Y804 HydrophobicContact CB-CE2 3.96Å; L789-F816 HydrophobicContact CD1-CZ 3.87Å
790	F	98.5	Very high	95.7	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	164.4	-178.9	-61.9	-100.9	0	0	0	110.8	I756 I777 L778 T780 K788 T794 A799 F801	I756-F790 HydrophobicContact CB-CE2 4.34Å; I756-F790 HydrophobicContact CB-CZ 4.2Å; I756-F790 HydrophobicContact CG2-CD2 4.34Å; I756-F790 HydrophobicContact CG2-CE2 4.18Å; I756-F790 HydrophobicContact CG2-CZ 4.33Å; I777-F790 VanDerWaalsContact CA-O 3.27Å; I777-F790 WeakPolarHBondContact CA-O 2.96Å; L778-F790 HydrophobicContact CB-CB 4.43Å; L778-F790 PolarHBondContact N-O 3.46Å; L778-F790 PolarHBondContact O-N 3Å; T780-F790 HydrophobicContact CG2-CD2 4.18Å; T780-F790 HydrophobicContact CG2-CE2 3.88Å; K788-F790 HydrophobicContact CB-CD2 4.31Å; K788-F790 HydrophobicContact CB-CE2 3.64Å; K788-F790 HydrophobicContact CB-CZ 4.32Å; K788-F790 HydrophobicContact CD-CE2 4.29Å; K788-F790 HydrophobicContact CD-CZ 4.27Å; F790-T794 HydrophobicContact CB-CG2 3.9Å; F790-T794 WeakPolarHBondContact CB-OG1 3.23Å; F790-T794 HydrophobicContact CD1-CG2 3.44Å; F790-T794 VanDerWaalsContact CD1-CG2 3.44Å; F790-T794 HydrophobicContact CE1-CG2 4.07Å; F790-T794 HydrophobicContact CG-CG2 3.83Å; F790-A799 HydrophobicContact CD1-CB 3.98Å; F790-A799 HydrophobicContact CE1-CB 4.17Å; F790-F801 HydrophobicContact CD1-CB 3.74Å; F790-F801 HydrophobicContact CD1-CD1 4.38Å; F790-F801 HydrophobicContact CD2-CB 4.22Å; F790-F801 HydrophobicContact CE1-CB 3.65Å; F790-F801 AromaticContact CE1-CD1 3.51Å; F790-F801 HydrophobicContact CE1-CD1 3.51Å; F790-F801 AromaticContact CE1-CG 3.96Å; F790-F801 HydrophobicContact CE1-CG 3.96Å; F790-F801 HydrophobicContact CE2-CB 4.1Å; F790-F801 HydrophobicContact CG-CB 4.05Å; F790-F801 HydrophobicContact CZ-CB 3.83Å; F790-F801 AromaticContact CZ-CD1 3.66Å; F790-F801 HydrophobicContact CZ-CD1 3.66Å; F790-F801 HydrophobicContact CZ-CE1 4.5Å; F790-F801 AromaticContact CZ-CG 3.93Å; F790-F801 HydrophobicContact CZ-CG 3.93Å
791	K	97.7	Very high	95.7	Very high	65 Å²	65	35 Å²	35	28%	0.283	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	136.8	162.5	-68.7	-167.8	174.9	-167.3	0	109.7	L190 A192 P193 D194 D776 P793 T794	L190-K791 HydrophobicContact CD1-CB 4.1Å; L190-K791 HydrophobicContact CD2-CB 4.49Å; L190-K791 HydrophobicContact CG-CB 4.4Å; A192-K791 VanDerWaalsContact O-CE 3.23Å; A192-K791 WeakPolarHBondContact O-CE 3.36Å; P193-K791 VanDerWaalsContact CA-CE 3.5Å; P193-K791 HydrophobicContact CB-CG 3.97Å; D194-K791 IonicContact OD2-NZ 2.83Å; D194-K791 PolarHBondContact OD2-NZ 3.14Å; D776-K791 WeakPolarHBondContact O-CA 3.41Å; K791-P793 CarbonylContact O-C 3.56Å; K791-T794 PolarHBondContact O-N 3.36Å; K791-T794 PolarHBondContact O-OG1 3.16Å
792	Y	97.1	Very high	95.6	Very high	45 Å²	45	39.4 Å²	39.4	18%	0.176	18%	0.18	C	C	.	.	S	Bend	trans	-94.9	138.9	173.3	-176.4	-91.7	0	0	0	110.7	Q745 E752 R771 D776 L778	Q745-Y792 HydrophobicContact CG-CE2 4.23Å; E752-Y792 HydrophobicContact CB-CE2 3.84Å; R771-Y792 HydrophobicContact CG-CD1 4.26Å; R771-Y792 HydrophobicContact CG-CD2 3.96Å; R771-Y792 HydrophobicContact CG-CE1 4.46Å; R771-Y792 HydrophobicContact CG-CE2 4.16Å; R771-Y792 HydrophobicContact CG-CG 3.99Å; D776-Y792 PolarHBondContact O-N 2.77Å; L778-Y792 HydrophobicContact CB-CD2 4.29Å; L778-Y792 HydrophobicContact CD1-CD2 4.09Å
793	P	96.2	Very high	95.7	Very high	49 Å²	49	41.9 Å²	41.9	32%	0.318	20%	0.201	S	C	.	.	S	Bend	cis	-71.9	138.8	-9.6	29.8	-34.8	0	0	0	112.5	E752 K791 N795	E752-P793 HydrophobicContact CB-CB 4.25Å; E752-P793 CarbonylContact O-C 3.54Å; K791-P793 CarbonylContact O-C 3.56Å; P793-N795 VanDerWaalsContact C-N 3.3Å; P793-N795 PolarHBondContact O-N 3.32Å; P793-N795 VanDerWaalsContact O-N 3.08Å
794	T	96.1	Very high	95.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.203	C	C	.	.			trans	-85.7	64.5	176.4	-42.5	0	0	0	0	110.5	L190 E752 V753 A754 G755 I756 L778 F790 K791 A799	L190-T794 HydrophobicContact CD2-CG2 4.19Å; E752-T794 PolarHBondContact O-N 3.48Å; V753-T794 CarbonylContact C-O 3.55Å; V753-T794 VanDerWaalsContact C-O 3.24Å; A754-T794 PolarHBondContact N-O 3.38Å; G755-T794 WeakPolarHBondContact CA-O 3.44Å; G755-T794 PolarHBondContact N-O 3.43Å; I756-T794 HydrophobicContact CG2-CG2 3.91Å; L778-T794 WeakPolarHBondContact CD2-OG1 3.4Å; F790-T794 HydrophobicContact CB-CG2 3.9Å; F790-T794 WeakPolarHBondContact CB-OG1 3.23Å; F790-T794 HydrophobicContact CD1-CG2 3.44Å; F790-T794 VanDerWaalsContact CD1-CG2 3.44Å; F790-T794 HydrophobicContact CE1-CG2 4.07Å; F790-T794 HydrophobicContact CG-CG2 3.83Å; K791-T794 PolarHBondContact O-N 3.36Å; K791-T794 PolarHBondContact O-OG1 3.16Å; T794-A799 HydrophobicContact CG2-CB 3.65Å
795	N	93.6	Very high	96.1	Very high	14 Å²	14	41.8 Å²	41.8	8%	0.075	20%	0.204	C	C	.	.			trans	-96.9	-8.2	-171.3	61	23.8	0	0	0	115.8	L163 Y184 W751 P793	L163-N795 WeakPolarHBondContact CD2-O 3.24Å; Y184-N795 PolarHBondContact OH-O 2.72Å; W751-N795 HydrophobicContact CD2-CB 4.33Å; W751-N795 HydrophobicContact CE3-CB 4.39Å; W751-N795 HydrophobicContact CH2-CB 4.13Å; W751-N795 HydrophobicContact CZ2-CB 4Å; W751-N795 WeakPolarHBondContact CZ2-ND2 3.41Å; W751-N795 HydrophobicContact CZ3-CB 4.29Å; W751-N795 VanDerWaalsContact O-CB 3.27Å; W751-N795 WeakPolarHBondContact O-CB 3.41Å; P793-N795 VanDerWaalsContact C-N 3.3Å; P793-N795 PolarHBondContact O-N 3.32Å; P793-N795 VanDerWaalsContact O-N 3.08Å
796	K	93.1	Very high	96.1	Very high	24 Å²	24	41.8 Å²	41.8	10%	0.104	20%	0.204	C	C	.	.	S	Bend	trans	-91.3	141.1	-179.3	-54.8	-62.3	178.3	175.7	0	112.3	Y184 D185 I188 L190 G755 A799	Y184-K796 VanDerWaalsContact CD2-NZ 3.33Å; Y184-K796 HydrophobicContact CE2-CD 3.93Å; D185-K796 PolarHBondContact O-NZ 2.77Å; I188-K796 WeakPolarHBondContact O-CD 3.45Å; L190-K796 HydrophobicContact CB-CB 3.81Å; L190-K796 HydrophobicContact CB-CG 3.73Å; G755-K796 WeakPolarHBondContact CA-O 3.33Å; K796-A799 PolarHBondContact O-N 2.8Å
797	P	90.2	Very high	96.2	Very high	43 Å²	43	40.4 Å²	40.4	28%	0.279	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	146.2	172	29.6	-35.3	0	0	0	110.6	T154 L186 A799	T154-P797 HydrophobicContact CG2-CB 4.43Å; T154-P797 HydrophobicContact CG2-CG 4.43Å; L186-P797 VanDerWaalsContact CD1-CD 3.47Å; L186-P797 HydrophobicContact CD1-CG 3.93Å; L186-P797 HydrophobicContact CG-CG 4.38Å; P797-A799 PolarHBondContact O-N 3.25Å
798	K	90.7	Very high	96.1	Very high	149 Å²	149	41.2 Å²	41.2	65%	0.648	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	38.5	-177	-53.6	171.7	-175.9	164.7	0	112.2	E800	K798-E800 PolarHBondContact O-N 3.03Å
799	A	95.1	Very high	96	Very high	5 Å²	5	41.6 Å²	41.6	4%	0.041	21%	0.208	C	C	.	.			trans	-55.6	132.5	174	0	0	0	0	0	110.3	L190 F790 T794 K796 P797 F801	L190-A799 HydrophobicContact CB-CB 4.14Å; L190-A799 HydrophobicContact CD2-CB 4.12Å; L190-A799 HydrophobicContact CG-CB 4.5Å; F790-A799 HydrophobicContact CD1-CB 3.98Å; F790-A799 HydrophobicContact CE1-CB 4.17Å; T794-A799 HydrophobicContact CG2-CB 3.65Å; K796-A799 PolarHBondContact O-N 2.8Å; P797-A799 PolarHBondContact O-N 3.25Å; A799-F801 WeakPolarHBondContact O-CD1 3.37Å
800	E	97	Very high	95.9	Very high	97 Å²	97	43.5 Å²	43.5	45%	0.453	22%	0.217	S	C	.	.			trans	-73.6	144.3	175.3	-65.9	174.5	-176.8	0	0	109.9	L190 K191 A192 K798	L190-E800 WeakPolarHBondContact O-CB 3.41Å; L190-E800 PolarHBondContact O-N 3.01Å; K191-E800 WeakPolarHBondContact CA-OE2 3.25Å; A192-E800 WeakPolarHBondContact CA-O 3.22Å; A192-E800 HydrophobicContact CB-CB 4.07Å; A192-E800 PolarHBondContact N-OE2 3.32Å; K798-E800 PolarHBondContact O-N 3.03Å
801	F	97.4	Very high	95.9	Very high	92 Å²	92	43.4 Å²	43.4	40%	0.404	22%	0.217	S	C	.	.			trans	-140.9	160.8	-177.8	52.5	-95.6	0	0	0	111.2	K788 L789 F790 A799 A803	K788-F801 HydrophobicContact CB-CB 4.39Å; K788-F801 HydrophobicContact CB-CD2 4.17Å; K788-F801 HydrophobicContact CB-CG 4.37Å; K788-F801 HydrophobicContact CD-CD2 3.92Å; K788-F801 HydrophobicContact CD-CE1 4.47Å; K788-F801 HydrophobicContact CD-CE2 3.89Å; K788-F801 HydrophobicContact CD-CG 4.25Å; K788-F801 HydrophobicContact CD-CZ 4.17Å; K788-F801 HydrophobicContact CG-CD2 3.75Å; K788-F801 HydrophobicContact CG-CE2 4.02Å; K788-F801 HydrophobicContact CG-CG 4.32Å; L789-F801 VanDerWaalsContact O-CA 3.32Å; L789-F801 WeakPolarHBondContact O-CA 3.34Å; L789-F801 WeakPolarHBondContact O-CB 3.2Å; F790-F801 HydrophobicContact CD1-CB 3.74Å; F790-F801 HydrophobicContact CD1-CD1 4.38Å; F790-F801 HydrophobicContact CD2-CB 4.22Å; F790-F801 HydrophobicContact CE1-CB 3.65Å; F790-F801 AromaticContact CE1-CD1 3.51Å; F790-F801 HydrophobicContact CE1-CD1 3.51Å; F790-F801 AromaticContact CE1-CG 3.96Å; F790-F801 HydrophobicContact CE1-CG 3.96Å; F790-F801 HydrophobicContact CE2-CB 4.1Å; F790-F801 HydrophobicContact CG-CB 4.05Å; F790-F801 HydrophobicContact CZ-CB 3.83Å; F790-F801 AromaticContact CZ-CD1 3.66Å; F790-F801 HydrophobicContact CZ-CD1 3.66Å; F790-F801 HydrophobicContact CZ-CE1 4.5Å; F790-F801 AromaticContact CZ-CG 3.93Å; F790-F801 HydrophobicContact CZ-CG 3.93Å; A799-F801 WeakPolarHBondContact O-CD1 3.37Å; F801-A803 HydrophobicContact CD2-CB 4.01Å; F801-A803 HydrophobicContact CE2-CB 3.96Å
802	R	97.8	Very high	95.9	Very high	93 Å²	93	40.5 Å²	40.5	35%	0.351	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	137.2	160.3	-59.8	-177.9	-179	-93.7	11	108.3	A192 P193 D194 T195 T196 K788 L789 Y804	A192-R802 HydrophobicContact CB-CG 4.42Å; P193-R802 PolarHBondContact O-NE 2.59Å; P193-R802 PolarHBondContact O-NH2 3.01Å; D194-R802 PolarHBondContact O-NH2 2.98Å; T195-R802 WeakPolarHBondContact O-CD 3.42Å; T195-R802 PolarHBondContact O-NE 3.12Å; T195-R802 VanDerWaalsContact O-NE 3.14Å; T196-R802 VanDerWaalsContact CG2-CZ 3.43Å; K788-R802 CarbonylContact C-O 3.54Å; K788-R802 VanDerWaalsContact CA-O 3.23Å; K788-R802 WeakPolarHBondContact CA-O 3.28Å; L789-R802 PolarHBondContact N-O 3.02Å; L789-R802 PolarHBondContact O-N 2.8Å; R802-Y804 HydrophobicContact CB-CE2 3.86Å; R802-Y804 VanDerWaalsContact CB-OH 3.28Å; R802-Y804 WeakPolarHBondContact CB-OH 3.37Å; R802-Y804 VanDerWaalsContact CD-OH 3.25Å; R802-Y804 WeakPolarHBondContact CD-OH 2.99Å
803	A	96.4	Very high	96	Very high	55 Å²	55	40.4 Å²	40.4	46%	0.455	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	142	177.6	0	0	0	0	0	110.5	V787 K788 F801	V787-A803 WeakPolarHBondContact O-CA 3.48Å; K788-A803 HydrophobicContact CG-CB 4.16Å; F801-A803 HydrophobicContact CD2-CB 4.01Å; F801-A803 HydrophobicContact CE2-CB 3.96Å
804	Y	98	Very high	96.1	Very high	33 Å²	33	38.2 Å²	38.2	13%	0.129	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136.6	-175.3	-52.2	-85.2	0	0	0	110.1	T196 L197 V787 L789 R802 W836	T196-Y804 WeakPolarHBondContact CA-OH 3.16Å; L197-Y804 HydrophobicContact CB-CD1 4.14Å; L197-Y804 HydrophobicContact CB-CD2 4.16Å; L197-Y804 HydrophobicContact CB-CE1 3.77Å; L197-Y804 HydrophobicContact CB-CE2 3.8Å; L197-Y804 HydrophobicContact CB-CG 4.33Å; L197-Y804 HydrophobicContact CD1-CD2 3.83Å; L197-Y804 HydrophobicContact CD1-CE2 3.72Å; L197-Y804 HydrophobicContact CG-CD2 4.27Å; L197-Y804 HydrophobicContact CG-CE2 3.74Å; L197-Y804 PolarHBondContact N-OH 3.26Å; L197-Y804 WeakPolarHBondContact O-CE1 3.45Å; V787-Y804 PolarHBondContact N-O 3.12Å; V787-Y804 WeakPolarHBondContact O-CD2 3.42Å; V787-Y804 PolarHBondContact O-N 3.36Å; L789-Y804 HydrophobicContact CB-CE2 3.96Å; R802-Y804 HydrophobicContact CB-CE2 3.86Å; R802-Y804 VanDerWaalsContact CB-OH 3.28Å; R802-Y804 WeakPolarHBondContact CB-OH 3.37Å; R802-Y804 VanDerWaalsContact CD-OH 3.25Å; R802-Y804 WeakPolarHBondContact CD-OH 2.99Å; Y804-W836 HydrophobicContact CG-CZ3 4.27Å
805	N	95.5	Very high	96.2	Very high	61 Å²	61	38.8 Å²	38.8	33%	0.326	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	148.3	176.8	-69.8	-27.6	0	0	0	110.6	K786	K786-N805 PolarHBondContact NZ-OD1 3.44Å
806	G	97.1	Very high	96.5	Very high	2 Å²	2	38.1 Å²	38.1	2%	0.021	19%	0.193	C	C	.	.			trans	168.8	-42.9	162.7	0	0	0	0	0	112	A227 A228 V229	A227-G806 VanDerWaalsContact CB-O 3.25Å; A227-G806 WeakPolarHBondContact CB-O 3.49Å; A228-G806 WeakPolarHBondContact CB-O 3.41Å; A228-G806 PolarHBondContact N-O 3.12Å; V229-G806 VanDerWaalsContact CG2-CA 3.43Å; V229-G806 WeakPolarHBondContact CG2-O 3.34Å
807	H	98.3	Very high	96.7	Very high	3 Å²	3	37 Å²	37	1%	0.014	19%	0.188	C	C	.	.			trans	-67.3	141.2	168.3	-68.8	-60.2	0	0	0	111.1	V811 S825 G827 D830 A832	H807-V811 HydrophobicContact CB-CG2 3.9Å; H807-S825 PolarHBondContact NE2-OG 2.97Å; H807-G827 VanDerWaalsContact CE1-CA 3.48Å; H807-G827 WeakPolarHBondContact CE1-CA 3.46Å; H807-G827 PolarHBondContact CE1-N 3.1Å; H807-G827 WeakPolarHBondContact ND1-CA 3.47Å; H807-D830 WeakPolarHBondContact CA-OD2 3.48Å; H807-D830 WeakPolarHBondContact CB-OD2 3.43Å; H807-D830 IonicContact CG-OD2 3.2Å; H807-D830 IonicContact ND1-OD1 3.55Å; H807-D830 IonicContact ND1-OD2 3.25Å; H807-D830 PolarHBondContact ND1-OD2 3.3Å; H807-A832 PolarHBondContact CE1-O 3.34Å
808	S	96.7	Very high	96.9	Very high	17 Å²	17	39.1 Å²	39.1	12%	0.119	19%	0.191	C	C	.	.	S	Bend	trans	-105.4	-17.2	174.7	55.2	0	0	0	0	112.7	A227 D249 D830	A227-S808 VanDerWaalsContact CA-OG 3.32Å; A227-S808 WeakPolarHBondContact CA-OG 3.42Å; D249-S808 VanDerWaalsContact OD1-CB 3.24Å; D249-S808 WeakPolarHBondContact OD1-CB 3.18Å; D249-S808 PolarHBondContact OD1-OG 3.29Å; S808-D830 PolarHBondContact N-OD2 3.31Å; S808-D830 VanDerWaalsContact OG-CB 3.25Å; S808-D830 WeakPolarHBondContact OG-CB 3.28Å
809	S	95.2	Very high	97.2	Very high	25 Å²	25	34.3 Å²	34.3	18%	0.175	17%	0.173	C	C	.	.	S	Bend	trans	-112.8	-169.4	173.5	-154.8	0	0	0	0	111	G785 V811	G785-S809 WeakPolarHBondContact CA-O 3.01Å; G785-S809 PolarHBondContact N-O 3.05Å; S809-V811 PolarHBondContact O-N 3.42Å
810	H	96.2	Very high	97.2	Very high	40 Å²	40	34.3 Å²	34.3	19%	0.185	17%	0.173	C	C	.	.			trans	-60.5	128.1	178.2	-50.1	-25.7	0	0	0	110	D783 T812 G827	D783-H810 PolarHBondContact O-ND1 3.35Å; D783-H810 WeakPolarHBondContact OD1-CB 3.2Å; D783-H810 IonicContact OD1-CD2 3.32Å; D783-H810 IonicContact OD1-CE1 2.77Å; D783-H810 IonicContact OD1-CG 3.02Å; D783-H810 VanDerWaalsContact OD1-CG 3.23Å; D783-H810 IonicContact OD1-ND1 3.49Å; H810-T812 PolarHBondContact O-N 2.84Å; H810-G827 CarbonylContact O-C 3.52Å; H810-G827 VanDerWaalsContact O-C 3.25Å
811	V	98.4	Very high	97.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.			trans	-72.9	102.2	170.1	-171.8	0	0	0	0	106.8	N767 D782 V787 H807 S809 V814 T826	N767-V811 WeakPolarHBondContact CB-O 3.46Å; N767-V811 PolarHBondContact ND2-O 2.91Å; D782-V811 PolarHBondContact O-N 2.81Å; V787-V811 HydrophobicContact CG2-CG1 4.27Å; H807-V811 HydrophobicContact CB-CG2 3.9Å; S809-V811 PolarHBondContact O-N 3.42Å; V811-V814 HydrophobicContact CG1-CG1 3.93Å; V811-T826 CarbonylContact C-O 3.52Å; V811-T826 WeakPolarHBondContact CA-O 3.49Å
812	T	98.3	Very high	97.3	Very high	4 Å²	4	28.1 Å²	28.1	3%	0.025	15%	0.147	C	C	.	.			trans	-74.1	-30.9	-171	53.1	0	0	0	0	112.7	F525 W526 H810 T826	F525-T812 PolarHBondContact O-OG1 3.16Å; W526-T812 HydrophobicContact CD2-CG2 3.54Å; W526-T812 VanDerWaalsContact CE2-CG2 3.42Å; W526-T812 HydrophobicContact CE3-CG2 3.85Å; W526-T812 HydrophobicContact CG-CG2 4.07Å; W526-T812 HydrophobicContact CH2-CG2 3.94Å; W526-T812 HydrophobicContact CZ2-CG2 3.64Å; W526-T812 HydrophobicContact CZ3-CG2 4.03Å; H810-T812 PolarHBondContact O-N 2.84Å; T812-T826 PolarHBondContact N-O 3Å; T812-T826 PolarHBondContact OG1-O 2.73Å; T812-T826 PolarHBondContact OG1-OG1 3Å
813	N	98.5	Very high	97.4	Very high	43 Å²	43	23.7 Å²	23.7	23%	0.23	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	155.7	-178.7	-146.3	-29.2	0	0	0	112.2	W526 L528 S825 T826	W526-N813 PolarHBondContact O-ND2 3.06Å; L528-N813 HydrophobicContact CB-CB 3.93Å; L528-N813 HydrophobicContact CD2-CB 4Å; N813-S825 WeakPolarHBondContact O-CA 3.42Å; N813-T826 VanDerWaalsContact CB-OG1 3.27Å; N813-T826 WeakPolarHBondContact CB-OG1 3.24Å; N813-T826 PolarHBondContact N-OG1 2.69Å; N813-T826 VanDerWaalsContact N-OG1 3.16Å; N813-T826 PolarHBondContact O-N 3Å
814	V	98.7	Very high	97.5	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.012	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	139.3	173.3	-65.1	0	0	0	0	110	A768 A779 V811 L823 I824	A768-V814 HydrophobicContact CB-CG2 4.15Å; A779-V814 HydrophobicContact CB-CG2 4.44Å; V811-V814 HydrophobicContact CG1-CG1 3.93Å; V814-L823 HydrophobicContact CB-CD1 4.48Å; V814-I824 CarbonylContact C-O 3.55Å; V814-I824 VanDerWaalsContact CA-O 3.31Å; V814-I824 WeakPolarHBondContact CA-O 3.36Å
815	T	98.6	Very high	97.5	Very high	13 Å²	13	19.5 Å²	19.5	8%	0.08	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	139.3	170.3	-161.7	0	0	0	0	113.4	L528 K530 D770 I824	L528-T815 HydrophobicContact CD1-CG2 4.4Å; L528-T815 HydrophobicContact CD2-CG2 3.76Å; L528-T815 HydrophobicContact CG-CG2 3.87Å; K530-T815 HydrophobicContact CB-CG2 4.11Å; K530-T815 WeakPolarHBondContact CD-OG1 3.47Å; K530-T815 PolarHBondContact NZ-OG1 2.93Å; D770-T815 WeakPolarHBondContact OD2-CA 3.48Å; D770-T815 WeakPolarHBondContact OD2-CB 3.26Å; D770-T815 PolarHBondContact OD2-OG1 3.22Å; T815-I824 PolarHBondContact N-O 3.13Å; T815-I824 PolarHBondContact O-N 3.2Å
816	F	98.6	Very high	97.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	132.1	170.3	-72.6	-83.4	0	0	0	109.7	K530 D770 I777 A779 L789 R822 L823 V838	K530-F816 WeakPolarHBondContact CD-O 3.35Å; K530-F816 WeakPolarHBondContact CE-O 3.42Å; K530-F816 PolarHBondContact NZ-O 2.61Å; D770-F816 HydrophobicContact CB-CD2 4.3Å; D770-F816 WeakPolarHBondContact O-CE2 3.49Å; D770-F816 PolarHBondContact OD2-N 2.82Å; I777-F816 HydrophobicContact CD1-CE1 3.94Å; I777-F816 HydrophobicContact CD1-CZ 3.95Å; I777-F816 HydrophobicContact CG1-CE1 4.35Å; I777-F816 HydrophobicContact CG1-CZ 3.91Å; A779-F816 HydrophobicContact CB-CD2 4.49Å; A779-F816 HydrophobicContact CB-CE2 3.58Å; A779-F816 HydrophobicContact CB-CZ 3.78Å; L789-F816 HydrophobicContact CD1-CZ 3.87Å; F816-R822 CarbonylContact C-O 3.53Å; F816-R822 WeakPolarHBondContact CA-O 3.16Å; F816-L823 HydrophobicContact CD1-CB 4.16Å; F816-L823 HydrophobicContact CD1-CD1 3.84Å; F816-L823 HydrophobicContact CD2-CD1 3.76Å; F816-L823 HydrophobicContact CE1-CB 4.21Å; F816-L823 HydrophobicContact CE1-CD1 3.92Å; F816-L823 HydrophobicContact CE2-CD1 3.85Å; F816-L823 HydrophobicContact CG-CD1 3.77Å; F816-L823 HydrophobicContact CZ-CD1 3.93Å; F816-V838 HydrophobicContact CD1-CG2 4.11Å; F816-V838 HydrophobicContact CE1-CG2 3.88Å
817	L	98.1	Very high	97.7	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	9%	0.086	C	C	.	.			trans	-58	164.5	172.8	-60.3	-172	0	0	0	111.7	H535 F537 S551 D819 G820 R822 I824	H535-L817 HydrophobicContact CB-CD1 4.37Å; F537-L817 HydrophobicContact CB-CD2 4.31Å; F537-L817 HydrophobicContact CD1-CD2 4.22Å; S551-L817 WeakPolarHBondContact OG-CD1 3.26Å; L817-D819 PolarHBondContact O-N 2.94Å; L817-G820 PolarHBondContact O-N 3.21Å; L817-R822 HydrophobicContact CD1-CB 3.82Å; L817-R822 HydrophobicContact CG-CB 4.08Å; L817-R822 PolarHBondContact N-O 2.8Å; L817-I824 HydrophobicContact CD2-CD1 4.4Å; L817-I824 HydrophobicContact CD2-CG1 3.76Å; L817-I824 HydrophobicContact CG-CG1 4.31Å
818	Y	94.7	Very high	97.7	Very high	86 Å²	86	16.4 Å²	16.4	34%	0.337	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-28.2	-168.8	80.2	-74	0	0	0	115.6	A534 H535 P773	A534-Y818 VanDerWaalsContact CA-CE1 3.46Å; A534-Y818 WeakPolarHBondContact O-CD1 3.32Å; H535-Y818 AromaticContact CD2-CE1 3.87Å; H535-Y818 AromaticContact CE1-CE1 3.57Å; H535-Y818 AromaticContact CE1-CZ 3.77Å; H535-Y818 PolarHBondContact CE1-OH 3.01Å; H535-Y818 AromaticContact CG-CE1 3.88Å; H535-Y818 AromaticContact ND1-CE1 3.71Å; H535-Y818 AromaticContact NE2-CE1 3.66Å; P773-Y818 WeakPolarHBondContact CG-O 3.49Å
819	D	95.9	Very high	97.7	Very high	49 Å²	49	20.7 Å²	20.7	26%	0.262	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-4.5	178.4	68.3	-11.8	0	0	0	114	H535 T774 L817 S821	H535-D819 IonicContact CD2-OD1 2.79Å; H535-D819 IonicContact CD2-OD2 3.85Å; H535-D819 IonicContact CE1-OD2 3.21Å; H535-D819 IonicContact NE2-OD1 2.81Å; H535-D819 IonicContact NE2-OD2 2.67Å; H535-D819 PolarHBondContact NE2-OD2 3Å; T774-D819 WeakPolarHBondContact CG2-O 3.46Å; T774-D819 PolarHBondContact OG1-O 3.21Å; L817-D819 PolarHBondContact O-N 2.94Å; D819-S821 PolarHBondContact O-N 2.84Å; D819-S821 VanDerWaalsContact OD1-CB 3.25Å; D819-S821 WeakPolarHBondContact OD1-CB 3.2Å; D819-S821 PolarHBondContact OD1-N 3.43Å; D819-S821 PolarHBondContact OD1-OG 3.48Å; D819-S821 VanDerWaalsContact OD2-CB 3.3Å; D819-S821 WeakPolarHBondContact OD2-CB 3.23Å; D819-S821 PolarHBondContact OD2-OG 3.05Å
820	G	96.8	Very high	97.8	Very high	4 Å²	4	19.7 Å²	19.7	4%	0.041	10%	0.095	C	C	.	.	S	Bend	trans	73.4	6.5	-175.3	0	0	0	0	0	115.1	L817 R822 V838	L817-G820 PolarHBondContact O-N 3.21Å; G820-R822 VanDerWaalsContact C-N 3.29Å; G820-R822 PolarHBondContact O-N 3.32Å; G820-V838 WeakPolarHBondContact O-CG2 3.13Å
821	S	97.5	Very high	97.9	Very high	31 Å²	31	18.3 Å²	18.3	22%	0.217	9%	0.089	C	C	.	.	S	Bend	trans	-70.3	-22.8	-178.2	65.5	0	0	0	0	114.3	D819 V838	D819-S821 PolarHBondContact O-N 2.84Å; D819-S821 VanDerWaalsContact OD1-CB 3.25Å; D819-S821 WeakPolarHBondContact OD1-CB 3.2Å; D819-S821 PolarHBondContact OD1-N 3.43Å; D819-S821 PolarHBondContact OD1-OG 3.48Å; D819-S821 VanDerWaalsContact OD2-CB 3.3Å; D819-S821 WeakPolarHBondContact OD2-CB 3.23Å; D819-S821 PolarHBondContact OD2-OG 3.05Å; S821-V838 PolarHBondContact O-N 3.37Å; S821-V838 VanDerWaalsContact O-N 3.14Å
822	R	98.3	Very high	97.9	Very high	29 Å²	29	18.3 Å²	18.3	11%	0.109	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	149.4	177.7	-87	115.6	-176.1	80.5	1.1	111.7	E200 F816 L817 G820 Q835 W836 E837	E200-R822 IonicContact OE1-CZ 3.62Å; E200-R822 IonicContact OE1-NE 3.52Å; E200-R822 PolarHBondContact OE1-NE 3.46Å; E200-R822 IonicContact OE1-NH2 3.41Å; E200-R822 PolarHBondContact OE1-NH2 3.05Å; E200-R822 IonicContact OE2-CZ 2.76Å; E200-R822 VanDerWaalsContact OE2-CZ 3.25Å; E200-R822 IonicContact OE2-NE 2.82Å; E200-R822 PolarHBondContact OE2-NE 3.34Å; E200-R822 IonicContact OE2-NH2 2.9Å; E200-R822 PolarHBondContact OE2-NH2 2.96Å; F816-R822 CarbonylContact C-O 3.53Å; F816-R822 WeakPolarHBondContact CA-O 3.16Å; L817-R822 HydrophobicContact CD1-CB 3.82Å; L817-R822 HydrophobicContact CG-CB 4.08Å; L817-R822 PolarHBondContact N-O 2.8Å; G820-R822 VanDerWaalsContact C-N 3.29Å; G820-R822 PolarHBondContact O-N 3.32Å; R822-Q835 HydrophobicContact CG-CG 4.11Å; R822-W836 CarbonylContact C-O 3.31Å; R822-W836 WeakPolarHBondContact CA-O 3.18Å; R822-W836 WeakPolarHBondContact CB-O 3.31Å; R822-W836 WeakPolarHBondContact CG-O 3.27Å; R822-E837 IonicContact CZ-OE1 2.77Å; R822-E837 IonicContact NH1-OE1 3.99Å; R822-E837 PolarHBondContact NH1-OE1 3.18Å; R822-E837 IonicContact NH2-OE1 3.6Å; R822-E837 PolarHBondContact NH2-OE1 3.42Å
823	L	98.8	Very high	97.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	140.5	162.9	-174.9	79.4	0	0	0	108.5	L197 A779 V787 V814 F816 W836	L197-L823 HydrophobicContact CD1-CD2 3.59Å; L197-L823 HydrophobicContact CD2-CB 4.47Å; A779-L823 HydrophobicContact CB-CD1 3.53Å; A779-L823 HydrophobicContact CB-CD2 3.71Å; A779-L823 HydrophobicContact CB-CG 4.3Å; V787-L823 HydrophobicContact CG1-CD2 3.61Å; V814-L823 HydrophobicContact CB-CD1 4.48Å; F816-L823 HydrophobicContact CD1-CB 4.16Å; F816-L823 HydrophobicContact CD1-CD1 3.84Å; F816-L823 HydrophobicContact CD2-CD1 3.76Å; F816-L823 HydrophobicContact CE1-CB 4.21Å; F816-L823 HydrophobicContact CE1-CD1 3.92Å; F816-L823 HydrophobicContact CE2-CD1 3.85Å; F816-L823 HydrophobicContact CG-CD1 3.77Å; F816-L823 HydrophobicContact CZ-CD1 3.93Å; L823-W836 HydrophobicContact CB-CB 4.23Å; L823-W836 PolarHBondContact N-O 3.49Å; L823-W836 PolarHBondContact O-N 2.9Å
824	I	98.8	Very high	97.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	137.7	169	-51.7	-59.8	0	0	0	108.3	L528 F537 V814 T815 L817 V833 L834 Q835	L528-I824 HydrophobicContact CD1-CB 4.37Å; L528-I824 HydrophobicContact CD1-CG2 3.76Å; L528-I824 HydrophobicContact CD2-CB 4.48Å; L528-I824 HydrophobicContact CD2-CG2 4.33Å; F537-I824 HydrophobicContact CD1-CD1 3.86Å; F537-I824 HydrophobicContact CD1-CG1 3.82Å; F537-I824 HydrophobicContact CD2-CG2 4.05Å; F537-I824 HydrophobicContact CE1-CD1 3.6Å; F537-I824 HydrophobicContact CE1-CG1 4.04Å; F537-I824 HydrophobicContact CE2-CG2 3.94Å; F537-I824 HydrophobicContact CG-CG1 4.1Å; F537-I824 HydrophobicContact CG-CG2 4.42Å; F537-I824 HydrophobicContact CZ-CD1 4.09Å; F537-I824 HydrophobicContact CZ-CG1 4.5Å; F537-I824 HydrophobicContact CZ-CG2 4.22Å; V814-I824 CarbonylContact C-O 3.55Å; V814-I824 VanDerWaalsContact CA-O 3.31Å; V814-I824 WeakPolarHBondContact CA-O 3.36Å; T815-I824 PolarHBondContact N-O 3.13Å; T815-I824 PolarHBondContact O-N 3.2Å; L817-I824 HydrophobicContact CD2-CD1 4.4Å; L817-I824 HydrophobicContact CD2-CG1 3.76Å; L817-I824 HydrophobicContact CG-CG1 4.31Å; I824-V833 HydrophobicContact CG2-CG1 3.51Å; I824-L834 WeakPolarHBondContact CA-O 3.12Å; I824-Q835 HydrophobicContact CD1-CB 3.83Å; I824-Q835 HydrophobicContact CD1-CG 3.8Å
825	S	98.8	Very high	97.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.1	172.1	64.9	0	0	0	0	112.1	H807 N813 V833 L834 W836	H807-S825 PolarHBondContact NE2-OG 2.97Å; N813-S825 WeakPolarHBondContact O-CA 3.42Å; S825-V833 WeakPolarHBondContact O-CA 3.44Å; S825-L834 PolarHBondContact N-O 2.97Å; S825-L834 PolarHBondContact O-N 2.8Å; S825-L834 WeakPolarHBondContact OG-CB 3.2Å; S825-W836 PolarHBondContact OG-NE1 3.26Å
826	T	98.7	Very high	97.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.3	-179.2	56.6	0	0	0	0	110.5	F525 L528 T539 V811 T812 N813 V833	F525-T826 HydrophobicContact CD2-CG2 4.32Å; F525-T826 HydrophobicContact CE2-CG2 3.41Å; F525-T826 VanDerWaalsContact CE2-CG2 3.41Å; F525-T826 HydrophobicContact CZ-CG2 3.92Å; L528-T826 HydrophobicContact CB-CG2 4.15Å; L528-T826 HydrophobicContact CD1-CG2 4.14Å; L528-T826 HydrophobicContact CD2-CG2 4.1Å; L528-T826 HydrophobicContact CG-CG2 4.35Å; T539-T826 HydrophobicContact CG2-CG2 4.36Å; V811-T826 CarbonylContact C-O 3.52Å; V811-T826 WeakPolarHBondContact CA-O 3.49Å; T812-T826 PolarHBondContact N-O 3Å; T812-T826 PolarHBondContact OG1-O 2.73Å; T812-T826 PolarHBondContact OG1-OG1 3Å; N813-T826 VanDerWaalsContact CB-OG1 3.27Å; N813-T826 WeakPolarHBondContact CB-OG1 3.24Å; N813-T826 PolarHBondContact N-OG1 2.69Å; N813-T826 VanDerWaalsContact N-OG1 3.16Å; N813-T826 PolarHBondContact O-N 3Å; T826-V833 HydrophobicContact CG2-CG1 4.46Å; T826-V833 HydrophobicContact CG2-CG2 4.4Å
827	G	97.9	Very high	97.9	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.			trans	-105.4	16	-173.5	0	0	0	0	0	115.8	H807 H810 K829 D830 A832	H807-G827 VanDerWaalsContact CE1-CA 3.48Å; H807-G827 WeakPolarHBondContact CE1-CA 3.46Å; H807-G827 PolarHBondContact CE1-N 3.1Å; H807-G827 WeakPolarHBondContact ND1-CA 3.47Å; H810-G827 CarbonylContact O-C 3.52Å; H810-G827 VanDerWaalsContact O-C 3.25Å; G827-K829 PolarHBondContact O-N 3.42Å; G827-D830 VanDerWaalsContact CA-OD1 3.23Å; G827-D830 WeakPolarHBondContact CA-OD1 3.48Å; G827-D830 VanDerWaalsContact O-CG 3.31Å; G827-D830 PolarHBondContact O-N 2.8Å; G827-D830 VanDerWaalsContact O-N 3.08Å; G827-A832 PolarHBondContact N-O 3.03Å; G827-A832 VanDerWaalsContact N-O 3.11Å
828	G	97.8	Very high	97.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	54.9	-106.7	176.5	0	0	0	0	0	113	F525 D830 T831	F525-G828 WeakPolarHBondContact CD1-O 3.38Å; F525-G828 VanDerWaalsContact O-CA 3.31Å; F525-G828 WeakPolarHBondContact O-CA 3.33Å; G828-D830 VanDerWaalsContact C-N 3.26Å; G828-D830 PolarHBondContact O-N 3.37Å; G828-T831 PolarHBondContact O-N 3.05Å; G828-T831 VanDerWaalsContact O-N 3.14Å
829	K	97.4	Very high	97.9	Very high	107 Å²	107	16.6 Å²	16.6	47%	0.465	9%	0.087	S	C	.	.	G	3₁₀ helix	trans	-68.2	-20	-176.6	-65.7	176.5	-178.7	173.3	0	114.1	E524 G827 T831	E524-K829 HydrophobicContact CB-CG 3.87Å; E524-K829 HydrophobicContact CG-CG 3.74Å; E524-K829 WeakPolarHBondContact OE2-CE 3.22Å; G827-K829 PolarHBondContact O-N 3.42Å; K829-T831 PolarHBondContact O-N 3.45Å
830	D	97.2	Very high	97.5	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.021	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-76.9	-7.9	174.1	76.9	19	0	0	0	113.3	A227 H807 S808 G827 G828 A832	A227-D830 HydrophobicContact CB-CB 3.68Å; A227-D830 WeakPolarHBondContact CB-OD2 3.43Å; H807-D830 WeakPolarHBondContact CA-OD2 3.48Å; H807-D830 WeakPolarHBondContact CB-OD2 3.43Å; H807-D830 IonicContact CG-OD2 3.2Å; H807-D830 IonicContact ND1-OD1 3.55Å; H807-D830 IonicContact ND1-OD2 3.25Å; H807-D830 PolarHBondContact ND1-OD2 3.3Å; S808-D830 PolarHBondContact N-OD2 3.31Å; S808-D830 VanDerWaalsContact OG-CB 3.25Å; S808-D830 WeakPolarHBondContact OG-CB 3.28Å; G827-D830 VanDerWaalsContact CA-OD1 3.23Å; G827-D830 WeakPolarHBondContact CA-OD1 3.48Å; G827-D830 VanDerWaalsContact O-CG 3.31Å; G827-D830 PolarHBondContact O-N 2.8Å; G827-D830 VanDerWaalsContact O-N 3.08Å; G828-D830 VanDerWaalsContact C-N 3.26Å; G828-D830 PolarHBondContact O-N 3.37Å; D830-A832 PolarHBondContact O-N 3.09Å; D830-A832 WeakPolarHBondContact OD1-CB 3.39Å; D830-A832 PolarHBondContact OD1-N 3.27Å
831	T	98	Very high	97.5	Very high	12 Å²	12	23.3 Å²	23.3	7%	0.074	12%	0.12	C	C	.	.			trans	63.2	7.5	177.6	63.2	0	0	0	0	116.2	N503 H521 G828 K829	N503-T831 PolarHBondContact ND2-OG1 2.75Å; N503-T831 VanDerWaalsContact ND2-OG1 3.08Å; H521-T831 WeakPolarHBondContact O-CB 3.44Å; G828-T831 PolarHBondContact O-N 3.05Å; G828-T831 VanDerWaalsContact O-N 3.14Å; K829-T831 PolarHBondContact O-N 3.45Å
832	A	98.1	Very high	97.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.			trans	-93.1	143.8	-177.6	0	0	0	0	0	112.8	I202 V226 A227 F525 H807 G827 D830 L834	I202-A832 HydrophobicContact CG2-CB 4.46Å; V226-A832 HydrophobicContact CG1-CB 4.24Å; V226-A832 HydrophobicContact CG2-CB 4.05Å; A227-A832 HydrophobicContact CB-CB 4.1Å; F525-A832 WeakPolarHBondContact CZ-O 3.44Å; H807-A832 PolarHBondContact CE1-O 3.34Å; G827-A832 PolarHBondContact N-O 3.03Å; G827-A832 VanDerWaalsContact N-O 3.11Å; D830-A832 PolarHBondContact O-N 3.09Å; D830-A832 WeakPolarHBondContact OD1-CB 3.39Å; D830-A832 PolarHBondContact OD1-N 3.27Å; A832-L834 HydrophobicContact CB-CD1 3.55Å
833	V	98.6	Very high	97.5	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.012	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.1	159.7	-173.2	0	0	0	0	107.9	I202 Y203 F525 F537 T539 I824 S825 T826	I202-V833 WeakPolarHBondContact CA-O 3.43Å; Y203-V833 HydrophobicContact CD2-CB 3.98Å; Y203-V833 HydrophobicContact CD2-CG1 4.12Å; Y203-V833 HydrophobicContact CG-CB 4.46Å; Y203-V833 PolarHBondContact N-O 3.27Å; Y203-V833 PolarHBondContact O-N 3.47Å; F525-V833 HydrophobicContact CE2-CG2 3.78Å; F525-V833 HydrophobicContact CZ-CG2 3.59Å; F537-V833 HydrophobicContact CE2-CG1 3.93Å; F537-V833 HydrophobicContact CZ-CG1 4.27Å; T539-V833 HydrophobicContact CG2-CG2 4.18Å; I824-V833 HydrophobicContact CG2-CG1 3.51Å; S825-V833 WeakPolarHBondContact O-CA 3.44Å; T826-V833 HydrophobicContact CG2-CG1 4.46Å; T826-V833 HydrophobicContact CG2-CG2 4.4Å
834	L	98.7	Very high	97.4	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130	-179.6	-87.1	53	0	0	0	109.3	L199 I202 I824 S825 A832 W836	L199-L834 HydrophobicContact CD1-CB 4.04Å; L199-L834 HydrophobicContact CD1-CD2 4.39Å; L199-L834 HydrophobicContact CD1-CG 3.94Å; I202-L834 HydrophobicContact CB-CD1 4.46Å; I202-L834 HydrophobicContact CD1-CD1 3.93Å; I202-L834 HydrophobicContact CD1-CG 4.05Å; I202-L834 HydrophobicContact CG1-CD1 3.91Å; I202-L834 HydrophobicContact CG1-CG 3.94Å; I202-L834 HydrophobicContact CG2-CD1 3.99Å; I824-L834 WeakPolarHBondContact CA-O 3.12Å; S825-L834 PolarHBondContact N-O 2.97Å; S825-L834 PolarHBondContact O-N 2.8Å; S825-L834 WeakPolarHBondContact OG-CB 3.2Å; A832-L834 HydrophobicContact CB-CD1 3.55Å; L834-W836 HydrophobicContact CB-CZ2 3.92Å; L834-W836 HydrophobicContact CD2-CH2 4.01Å; L834-W836 HydrophobicContact CD2-CZ2 3.58Å; L834-W836 HydrophobicContact CG-CZ2 4.28Å
835	Q	98.6	Very high	97.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.9	177.4	170.3	171.2	-39.2	0	0	110.1	E200 W201 Y203 S551 R822 I824	E200-Q835 PolarHBondContact N-O 3.29Å; E200-Q835 PolarHBondContact OE2-NE2 2.88Å; W201-Q835 HydrophobicContact CB-CB 4.22Å; W201-Q835 PolarHBondContact N-O 3.2Å; W201-Q835 PolarHBondContact O-N 2.81Å; Y203-Q835 HydrophobicContact CE2-CB 4.01Å; Y203-Q835 PolarHBondContact OH-OE1 3.27Å; S551-Q835 PolarHBondContact O-NE2 2.93Å; S551-Q835 PolarHBondContact OG-NE2 2.59Å; S551-Q835 PolarHBondContact OG-OE1 3.24Å; R822-Q835 HydrophobicContact CG-CG 4.11Å; I824-Q835 HydrophobicContact CD1-CB 3.83Å; I824-Q835 HydrophobicContact CD1-CG 3.8Å
836	W	98.6	Very high	97.2	Very high	3 Å²	3	27 Å²	27	1%	0.011	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.2	-175	-42.5	83	0	0	0	110.2	L197 K198 L199 V787 Y804 R822 L823 S825 L834	L197-W836 HydrophobicContact CB-CB 4.11Å; L197-W836 HydrophobicContact CB-CE3 4.34Å; L197-W836 HydrophobicContact CD1-CB 4.3Å; L197-W836 HydrophobicContact CD1-CG 4.32Å; L197-W836 HydrophobicContact CD2-CB 4.4Å; K198-W836 CarbonylContact O-C 3.53Å; K198-W836 WeakPolarHBondContact O-CA 3.41Å; L199-W836 HydrophobicContact CB-CE3 3.87Å; L199-W836 HydrophobicContact CB-CZ3 3.86Å; L199-W836 HydrophobicContact CD1-CD2 4.13Å; L199-W836 HydrophobicContact CD1-CE3 3.97Å; L199-W836 HydrophobicContact CD1-CH2 4.26Å; L199-W836 HydrophobicContact CD1-CZ2 4.42Å; L199-W836 HydrophobicContact CD1-CZ3 4.03Å; L199-W836 HydrophobicContact CG-CZ3 4.45Å; V787-W836 HydrophobicContact CB-CZ2 4.26Å; V787-W836 HydrophobicContact CG2-CZ2 3.82Å; Y804-W836 HydrophobicContact CG-CZ3 4.27Å; R822-W836 CarbonylContact C-O 3.31Å; R822-W836 WeakPolarHBondContact CA-O 3.18Å; R822-W836 WeakPolarHBondContact CB-O 3.31Å; R822-W836 WeakPolarHBondContact CG-O 3.27Å; L823-W836 HydrophobicContact CB-CB 4.23Å; L823-W836 PolarHBondContact N-O 3.49Å; L823-W836 PolarHBondContact O-N 2.9Å; S825-W836 PolarHBondContact OG-NE1 3.26Å; L834-W836 HydrophobicContact CB-CZ2 3.92Å; L834-W836 HydrophobicContact CD2-CH2 4.01Å; L834-W836 HydrophobicContact CD2-CZ2 3.58Å; L834-W836 HydrophobicContact CG-CZ2 4.28Å
837	E	98	Very high	97.1	Very high	48 Å²	48	28.9 Å²	28.9	22%	0.224	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	131.9	166.5	175.5	162.8	-110	0	0	110.1	L197 K198 E200 R822	L197-E837 WeakPolarHBondContact CA-O 3.2Å; K198-E837 HydrophobicContact CB-CB 4.45Å; K198-E837 PolarHBondContact N-O 3.21Å; K198-E837 IonicContact NZ-OE2 3.55Å; K198-E837 PolarHBondContact NZ-OE2 3.22Å; K198-E837 PolarHBondContact O-N 3.34Å; E200-E837 HydrophobicContact CB-CB 4.41Å; R822-E837 IonicContact CZ-OE1 2.77Å; R822-E837 IonicContact NH1-OE1 3.99Å; R822-E837 PolarHBondContact NH1-OE1 3.18Å; R822-E837 IonicContact NH2-OE1 3.6Å; R822-E837 PolarHBondContact NH2-OE1 3.42Å
838	V	98.1	Very high	97	Very high	19 Å²	19	31.2 Å²	31.2	12%	0.115	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	107.7	175.7	-178.3	0	0	0	0	108.7	T195 L197 I777 F816 G820 S821 I840	T195-V838 HydrophobicContact CG2-CG1 3.67Å; L197-V838 HydrophobicContact CD2-CB 4.5Å; L197-V838 HydrophobicContact CD2-CG2 3.86Å; I777-V838 HydrophobicContact CD1-CG1 3.95Å; F816-V838 HydrophobicContact CD1-CG2 4.11Å; F816-V838 HydrophobicContact CE1-CG2 3.88Å; G820-V838 WeakPolarHBondContact O-CG2 3.13Å; S821-V838 PolarHBondContact O-N 3.37Å; S821-V838 VanDerWaalsContact O-N 3.14Å; V838-I840 HydrophobicContact CG1-CG1 4.39Å
839	C	96.4	Very high	97	Very high	40 Å²	40	33.8 Å²	33.8	27%	0.27	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	105.3	-178.8	-60.4	0	0	0	0	109.6	T195 T196	T195-C839 CarbonylContact C-O 3.56Å; T195-C839 WeakPolarHBondContact CA-O 3.1Å; T195-C839 WeakPolarHBondContact CG2-O 3.44Å; T196-C839 PolarHBondContact N-O 3.14Å; T196-C839 PolarHBondContact O-N 3.25Å; T196-C839 WeakPolarHBondContact OG1-CB 3.34Å; T196-C839 PolarHBondContact OG1-O 3.49Å
840	I	86	Confident	96.9	Very high	169 Å²	169	27.1 Å²	27.1	87%	0.867	15%	0.145	S	C	*	.			trans	-80	0	-179.2	-58.1	178.5	0	0	0	111	T195 V838	T195-I840 HydrophobicContact CG2-CG1 4.1Å; V838-I840 HydrophobicContact CG1-CG1 4.39Å

Retrieved 840 of 840 residues in 157.5 ms (Link to these results)

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