A0A3Q0KRN3_SCHMA Loading...

Putative WD-repeat protein

AlphaFold DB , UniProt , Accession A0A3Q0KRN3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,050 aa.

						>A0A3Q0KRN3_SCHMA|A0A3Q0KRN3
MNLENAGLQDRVIDLEKRSAEQANELACLRSSLADCLRRLNLLESARGMKLHSSSRKPVLHNNGTNVTKTNSRTDSSYSSRRHTNSRNPTSTGHQSKNSRDSSLVVPHSTTASTTARTRLKSPQSVRLSSSSTTLNNQGVGVSGATNQTRRNRITSASSEDRQFNNFNNNKHERDNKTLSMYEYNDMIMSRQSEPITYQQKSSTLKSNTSSRYYEASTGPSGYTVFWRSAYDGELDDIYRMNHCQSPPGQQHSVSVSSSFRKNHTVAPPPPPPPPPALPPSSLCIPPNLVRRGRQSSGPSSSAYYCATDSDDRSVHLTSTSRSLHPTAWKPGGVAICPANREMIQSMNKPSCIPKFHDDDSKETTYLPGDGILRFYIRGRPVNVYMPTQIMQNYDLSIPLKAPDTTLKLEWIYGYRGRDCRNNLHYLPTGELIYFVAAVVVLYNIEEQCQRHYLEHTDDVKCIAIHPDRITVATGQSAGHDKQFGKPHVRIWSSVDLKTLKIIGLGEFERSVCCLSFSKTDSGVKLCAVDEATDHVISIWDWQKSRKITETKCSTEPITAVEFHPLDDATLVSGGKGHLAFWTFDGCTLSKKMGIFENGKQPIEKPKFILCLTFAENGDLLTGDSAGNIIAWKRGTNTVNQICQGVHEGGIFSLCLTNNGHLISGGGKDRRLVFFDAALNPTGRTEELTELYGSVRTITQGPGELLIIGTTKNMILQAGPGMEISPLMFGHFEEFWSLAKHPQAHQFITGGRDHLVILWDSLSKQAIWSKEFTDAIHCAAFYPPQSVLITNGTMSPVNNHNNDSNINGNNVIDETNNLDFNVSMMNSHDLLVVLGTSTGRWLVFNCLKQEIIAAHSDGLGEQIECVAYSPDGNYLALGSRDNVIYVYNVLERGYKYNRVGRCCGHTSFILHIDWSVDGRFIRSVSGDYEILFWTAFDCRQVVSPSTLRDLEWASQTCTLGWEVAGIWPSDSDGTDVNACDRSPTADILATGDDYGKVKLFKYPTNKPKAEFRAYNGHSSHVTNVTFLYDGSRLISTGGKDTAVLQWEVCI
					

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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	47	Very low	63.2	Low	166 Å²	166	112 Å²	112	82%	0.818	58%	0.58	S	S	*	*				0	-104.8	0	-63.4	-155.3	-77.5	0	0	111.7	L3 E4 N5	M1-L3 PolarHBondContact O-N 2.73Å; M1-E4 PolarHBondContact N-OE2 2.65Å; M1-E4 CarbonylContact O-C 3.53Å; M1-E4 VanDerWaalsContact O-CA 3.32Å; M1-E4 WeakPolarHBondContact O-CA 3.38Å; M1-E4 WeakPolarHBondContact O-CB 3.43Å; M1-E4 PolarHBondContact O-N 2.77Å; M1-N5 PolarHBondContact O-N 2.67Å
2	N	53.8	Low	64.5	Low	144 Å²	144	108.8 Å²	108.8	77%	0.77	57%	0.569	S	S	*	*	H	α-helix	trans	-56.2	-45.9	-164.4	-67	26.3	0	0	0	116.4	E4 A6	N2-E4 PolarHBondContact O-N 2.76Å; N2-A6 PolarHBondContact O-N 2.82Å
3	L	53.3	Low	65.3	Low	165 Å²	165	106.9 Å²	106.9	86%	0.864	56%	0.558	S	S	*	*	H	α-helix	trans	-64.8	-28.4	173.3	-104.5	75.2	0	0	0	113.4	M1 G7	M1-L3 PolarHBondContact O-N 2.73Å; L3-G7 PolarHBondContact O-N 3.39Å
4	E	56.5	Low	66.1	Low	134 Å²	134	104.3 Å²	104.3	63%	0.626	55%	0.545	S	S	*	.	H	α-helix	trans	-80.4	-36.3	-173.7	-149.9	167.4	-166.9	0	0	110.7	M1 N2 L8	M1-E4 PolarHBondContact N-OE2 2.65Å; M1-E4 CarbonylContact O-C 3.53Å; M1-E4 VanDerWaalsContact O-CA 3.32Å; M1-E4 WeakPolarHBondContact O-CA 3.38Å; M1-E4 WeakPolarHBondContact O-CB 3.43Å; M1-E4 PolarHBondContact O-N 2.77Å; N2-E4 PolarHBondContact O-N 2.76Å; E4-L8 WeakPolarHBondContact O-CG 3.18Å; E4-L8 PolarHBondContact O-N 2.77Å; E4-L8 VanDerWaalsContact O-N 3.13Å
5	N	62.5	Low	66.5	Low	94 Å²	94	104.5 Å²	104.5	50%	0.503	55%	0.547	S	S	.	.	H	α-helix	trans	-65.5	-42	170.8	-71.8	13.8	0	0	0	111.4	M1 L8 Q9	M1-N5 PolarHBondContact O-N 2.67Å; N5-L8 WeakPolarHBondContact O-CB 3.49Å; N5-L8 PolarHBondContact O-N 3.46Å; N5-L8 VanDerWaalsContact O-N 3.13Å; N5-Q9 WeakPolarHBondContact O-CG 3.43Å; N5-Q9 PolarHBondContact O-N 2.8Å
6	A	65.7	Low	66.9	Low	43 Å²	43	105.7 Å²	105.7	36%	0.355	55%	0.548	S	S	.	.	H	α-helix	trans	-60.3	-50.1	176.3	0	0	0	0	0	111.4	N2 L8 Q9 D10	N2-A6 PolarHBondContact O-N 2.82Å; A6-L8 PolarHBondContact O-N 3.21Å; A6-L8 VanDerWaalsContact O-N 3.11Å; A6-Q9 PolarHBondContact O-N 3.04Å; A6-D10 PolarHBondContact O-N 2.98Å
7	G	70.1	Confident	67.3	Low	34 Å²	34	106 Å²	106	35%	0.351	55%	0.545	S	S	.	.	H	α-helix	trans	-66.7	-9.2	175.4	0	0	0	0	0	115.2	L3 R11	L3-G7 PolarHBondContact O-N 3.39Å; G7-R11 VanDerWaalsContact O-CD 3.26Å; G7-R11 WeakPolarHBondContact O-CD 3.34Å; G7-R11 VanDerWaalsContact O-CG 3.29Å; G7-R11 WeakPolarHBondContact O-CG 3.37Å
8	L	69.7	Low	67.6	Low	92 Å²	92	107.3 Å²	107.3	48%	0.482	54%	0.542	S	S	.	.	H	α-helix	trans	-89.5	-40.2	166.9	-75.6	168	0	0	0	111.6	E4 N5 A6 R11 V12	E4-L8 WeakPolarHBondContact O-CG 3.18Å; E4-L8 PolarHBondContact O-N 2.77Å; E4-L8 VanDerWaalsContact O-N 3.13Å; N5-L8 WeakPolarHBondContact O-CB 3.49Å; N5-L8 PolarHBondContact O-N 3.46Å; N5-L8 VanDerWaalsContact O-N 3.13Å; A6-L8 PolarHBondContact O-N 3.21Å; A6-L8 VanDerWaalsContact O-N 3.11Å; L8-R11 PolarHBondContact O-N 2.82Å; L8-V12 WeakPolarHBondContact O-CG2 3.38Å; L8-V12 PolarHBondContact O-N 2.76Å
9	Q	67.7	Low	67.7	Low	88 Å²	88	105.7 Å²	105.7	41%	0.411	54%	0.541	S	S	.	.	H	α-helix	trans	-61	-47.8	175.8	-73.3	176	-52.8	0	0	111.7	N5 A6 R11 V12 I13	N5-Q9 WeakPolarHBondContact O-CG 3.43Å; N5-Q9 PolarHBondContact O-N 2.8Å; A6-Q9 PolarHBondContact O-N 3.04Å; Q9-R11 PolarHBondContact O-N 2.9Å; Q9-V12 PolarHBondContact O-N 3.29Å; Q9-I13 WeakPolarHBondContact O-CG1 3.15Å; Q9-I13 PolarHBondContact O-N 3.37Å
10	D	73.9	Confident	67.6	Low	112 Å²	112	103 Å²	103	60%	0.599	54%	0.535	S	S	*	.	H	α-helix	trans	-55.9	-35.8	175.6	-66.4	-25.8	0	0	0	112.2	A6 D14	A6-D10 PolarHBondContact O-N 2.98Å; D10-D14 WeakPolarHBondContact O-CB 3.26Å; D10-D14 PolarHBondContact O-N 3.45Å; D10-D14 VanDerWaalsContact O-N 3.08Å
11	R	74.9	Confident	67.8	Low	160 Å²	160	100.6 Å²	100.6	60%	0.604	52%	0.522	S	S	*	.	H	α-helix	trans	-78.4	-27.7	178.8	-73.4	178.8	62.2	-160.5	-5.1	113.7	G7 L8 Q9 L15	G7-R11 VanDerWaalsContact O-CD 3.26Å; G7-R11 WeakPolarHBondContact O-CD 3.34Å; G7-R11 VanDerWaalsContact O-CG 3.29Å; G7-R11 WeakPolarHBondContact O-CG 3.37Å; L8-R11 PolarHBondContact O-N 2.82Å; Q9-R11 PolarHBondContact O-N 2.9Å; R11-L15 WeakPolarHBondContact O-CB 3.3Å; R11-L15 WeakPolarHBondContact O-CD1 3.25Å; R11-L15 VanDerWaalsContact O-CG 3.22Å; R11-L15 WeakPolarHBondContact O-CG 3.32Å; R11-L15 PolarHBondContact O-N 2.69Å
12	V	78.5	Confident	69	Low	73 Å²	73	98.6 Å²	98.6	44%	0.442	51%	0.51	S	S	.	.	H	α-helix	trans	-69.5	-47	171.1	170	0	0	0	0	109.2	L8 Q9 D14 L15 E16	L8-V12 WeakPolarHBondContact O-CG2 3.38Å; L8-V12 PolarHBondContact O-N 2.76Å; Q9-V12 PolarHBondContact O-N 3.29Å; V12-D14 VanDerWaalsContact C-N 3.35Å; V12-D14 PolarHBondContact O-N 3.13Å; V12-L15 CarbonylContact O-C 3.59Å; V12-L15 WeakPolarHBondContact O-CA 3.18Å; V12-L15 WeakPolarHBondContact O-CB 3.25Å; V12-L15 PolarHBondContact O-N 2.98Å; V12-E16 HydrophobicContact CG1-CG 4.18Å; V12-E16 WeakPolarHBondContact CG1-OE1 3.26Å; V12-E16 WeakPolarHBondContact O-CG 3.4Å; V12-E16 PolarHBondContact O-N 2.54Å
13	I	75.9	Confident	69.5	Low	85 Å²	85	94.3 Å²	94.3	44%	0.436	50%	0.495	S	S	.	.	H	α-helix	trans	-59.8	-42.6	178	-64.3	163.6	0	0	0	111.5	Q9 L15 E16 K17	Q9-I13 WeakPolarHBondContact O-CG1 3.15Å; Q9-I13 PolarHBondContact O-N 3.37Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 3.12Å; I13-E16 PolarHBondContact O-N 3.33Å; I13-K17 VanDerWaalsContact O-CB 3.31Å; I13-K17 WeakPolarHBondContact O-CB 3.42Å; I13-K17 PolarHBondContact O-N 3.3Å
14	D	75.9	Confident	69.8	Low	70 Å²	70	91 Å²	91	37%	0.374	48%	0.478	S	S	.	.	H	α-helix	trans	-65	-33.3	174.5	-178.7	48.3	0	0	0	112.8	D10 V12 R18	D10-D14 WeakPolarHBondContact O-CB 3.26Å; D10-D14 PolarHBondContact O-N 3.45Å; D10-D14 VanDerWaalsContact O-N 3.08Å; V12-D14 VanDerWaalsContact C-N 3.35Å; V12-D14 PolarHBondContact O-N 3.13Å; D14-R18 VanDerWaalsContact CG-NE 3.26Å; D14-R18 VanDerWaalsContact O-CD 3.28Å; D14-R18 WeakPolarHBondContact O-CD 3.27Å; D14-R18 WeakPolarHBondContact O-CG 3.18Å; D14-R18 PolarHBondContact O-N 3.48Å; D14-R18 VanDerWaalsContact O-N 3.14Å; D14-R18 IonicContact OD1-CZ 2.69Å; D14-R18 IonicContact OD1-NE 3.85Å; D14-R18 PolarHBondContact OD1-NE 2.99Å; D14-R18 IonicContact OD1-NH2 2.88Å; D14-R18 PolarHBondContact OD1-NH2 3.03Å; D14-R18 IonicContact OD2-CZ 2.73Å; D14-R18 VanDerWaalsContact OD2-CZ 3.27Å; D14-R18 IonicContact OD2-NE 3.77Å; D14-R18 PolarHBondContact OD2-NE 3.26Å; D14-R18 IonicContact OD2-NH2 3.48Å; D14-R18 PolarHBondContact OD2-NH2 3.23Å
15	L	71.7	Confident	70.4	Confident	108 Å²	108	90.6 Å²	90.6	57%	0.565	48%	0.476	S	S	*	.	H	α-helix	trans	-75.5	-40.7	175.3	-75.4	169.3	0	0	0	112.7	R11 V12 I13 R18 S19	R11-L15 WeakPolarHBondContact O-CB 3.3Å; R11-L15 WeakPolarHBondContact O-CD1 3.25Å; R11-L15 VanDerWaalsContact O-CG 3.22Å; R11-L15 WeakPolarHBondContact O-CG 3.32Å; R11-L15 PolarHBondContact O-N 2.69Å; V12-L15 CarbonylContact O-C 3.59Å; V12-L15 WeakPolarHBondContact O-CA 3.18Å; V12-L15 WeakPolarHBondContact O-CB 3.25Å; V12-L15 PolarHBondContact O-N 2.98Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 3.12Å; L15-R18 PolarHBondContact O-N 2.66Å; L15-S19 WeakPolarHBondContact O-CB 3.4Å; L15-S19 PolarHBondContact O-N 3.41Å
16	E	73.1	Confident	70.3	Confident	123 Å²	123	90.2 Å²	90.2	58%	0.575	47%	0.474	S	S	*	.	H	α-helix	trans	-61.5	-44.8	174.7	-73.1	170.9	160.2	0	0	110.6	V12 I13 S19 A20	V12-E16 HydrophobicContact CG1-CG 4.18Å; V12-E16 WeakPolarHBondContact CG1-OE1 3.26Å; V12-E16 WeakPolarHBondContact O-CG 3.4Å; V12-E16 PolarHBondContact O-N 2.54Å; I13-E16 PolarHBondContact O-N 3.33Å; E16-S19 WeakPolarHBondContact O-CB 3.43Å; E16-S19 PolarHBondContact O-N 2.84Å; E16-A20 PolarHBondContact O-N 2.92Å
17	K	73.7	Confident	69.8	Low	111 Å²	111	90.5 Å²	90.5	48%	0.483	48%	0.476	S	S	.	.	H	α-helix	trans	-58	-51.7	173.6	178.6	-179	165.7	-178	0	111.9	I13 S19 A20 E21	I13-K17 VanDerWaalsContact O-CB 3.31Å; I13-K17 WeakPolarHBondContact O-CB 3.42Å; I13-K17 PolarHBondContact O-N 3.3Å; K17-S19 VanDerWaalsContact C-N 3.26Å; K17-S19 PolarHBondContact O-N 3.06Å; K17-A20 PolarHBondContact O-N 2.62Å; K17-A20 VanDerWaalsContact O-N 3.16Å; K17-E21 VanDerWaalsContact CE-CD 3.44Å; K17-E21 WeakPolarHBondContact CE-OE1 3.35Å; K17-E21 HydrophobicContact CG-CG 4.48Å; K17-E21 IonicContact NZ-OE1 3.42Å; K17-E21 WeakPolarHBondContact O-CG 3.46Å; K17-E21 PolarHBondContact O-N 2.9Å
18	R	73.7	Confident	69.3	Low	130 Å²	130	92.4 Å²	92.4	49%	0.491	48%	0.483	S	S	.	.	H	α-helix	trans	-61.5	-35.6	178.6	-70.8	163.6	-165.2	-113.1	10.7	112.2	D14 L15 E21 Q22	D14-R18 VanDerWaalsContact CG-NE 3.26Å; D14-R18 VanDerWaalsContact O-CD 3.28Å; D14-R18 WeakPolarHBondContact O-CD 3.27Å; D14-R18 WeakPolarHBondContact O-CG 3.18Å; D14-R18 PolarHBondContact O-N 3.48Å; D14-R18 VanDerWaalsContact O-N 3.14Å; D14-R18 IonicContact OD1-CZ 2.69Å; D14-R18 IonicContact OD1-NE 3.85Å; D14-R18 PolarHBondContact OD1-NE 2.99Å; D14-R18 IonicContact OD1-NH2 2.88Å; D14-R18 PolarHBondContact OD1-NH2 3.03Å; D14-R18 IonicContact OD2-CZ 2.73Å; D14-R18 VanDerWaalsContact OD2-CZ 3.27Å; D14-R18 IonicContact OD2-NE 3.77Å; D14-R18 PolarHBondContact OD2-NE 3.26Å; D14-R18 IonicContact OD2-NH2 3.48Å; D14-R18 PolarHBondContact OD2-NH2 3.23Å; L15-R18 PolarHBondContact O-N 2.66Å; R18-E21 PolarHBondContact O-N 3.12Å; R18-Q22 WeakPolarHBondContact O-CB 3.41Å; R18-Q22 WeakPolarHBondContact O-CG 3.38Å; R18-Q22 PolarHBondContact O-N 3.33Å
19	S	69.5	Low	69.1	Low	76 Å²	76	93.3 Å²	93.3	53%	0.531	49%	0.488	S	S	.	.	H	α-helix	trans	-63.1	-44.4	174.7	-170.5	0	0	0	0	111.4	L15 E16 K17 Q22 A23	L15-S19 WeakPolarHBondContact O-CB 3.4Å; L15-S19 PolarHBondContact O-N 3.41Å; E16-S19 WeakPolarHBondContact O-CB 3.43Å; E16-S19 PolarHBondContact O-N 2.84Å; K17-S19 VanDerWaalsContact C-N 3.26Å; K17-S19 PolarHBondContact O-N 3.06Å; S19-Q22 PolarHBondContact O-N 3.19Å; S19-A23 VanDerWaalsContact O-CB 3.31Å; S19-A23 WeakPolarHBondContact O-CB 3.5Å; S19-A23 PolarHBondContact O-N 2.88Å
20	A	65.3	Low	68.5	Low	52 Å²	52	93.5 Å²	93.5	43%	0.43	49%	0.485	S	S	.	.	H	α-helix	trans	-66.5	-40.3	175.1	0	0	0	0	0	112.7	E16 K17 A23 N24	E16-A20 PolarHBondContact O-N 2.92Å; K17-A20 PolarHBondContact O-N 2.62Å; K17-A20 VanDerWaalsContact O-N 3.16Å; A20-A23 PolarHBondContact O-N 3.11Å; A20-N24 PolarHBondContact O-N 2.82Å; A20-N24 PolarHBondContact O-ND2 2.95Å
21	E	70.4	Confident	67.7	Low	53 Å²	53	90.2 Å²	90.2	25%	0.248	47%	0.471	C	S	.	.	H	α-helix	trans	-60.8	-48.3	174.2	-71.7	173.1	153.6	0	0	110.9	K17 R18 A23 N24 E25 W227	K17-E21 VanDerWaalsContact CE-CD 3.44Å; K17-E21 WeakPolarHBondContact CE-OE1 3.35Å; K17-E21 HydrophobicContact CG-CG 4.48Å; K17-E21 IonicContact NZ-OE1 3.42Å; K17-E21 WeakPolarHBondContact O-CG 3.46Å; K17-E21 PolarHBondContact O-N 2.9Å; R18-E21 PolarHBondContact O-N 3.12Å; E21-A23 PolarHBondContact O-N 3.35Å; E21-N24 PolarHBondContact O-N 2.98Å; E21-E25 PolarHBondContact O-N 3.2Å; E21-W227 HydrophobicContact CG-CH2 4.13Å; E21-W227 HydrophobicContact CG-CZ2 3.97Å
22	Q	72.2	Confident	67	Low	124 Å²	124	86.1 Å²	86.1	58%	0.579	47%	0.466	S	S	*	.	H	α-helix	trans	-65.6	-33.5	175.3	-73.5	-176.1	-21.9	0	0	113.5	R18 S19 E25 L26	R18-Q22 WeakPolarHBondContact O-CB 3.41Å; R18-Q22 WeakPolarHBondContact O-CG 3.38Å; R18-Q22 PolarHBondContact O-N 3.33Å; S19-Q22 PolarHBondContact O-N 3.19Å; Q22-E25 PolarHBondContact O-N 2.99Å; Q22-L26 WeakPolarHBondContact O-CB 3.37Å; Q22-L26 WeakPolarHBondContact O-CD1 3.39Å; Q22-L26 PolarHBondContact O-N 3.47Å
23	A	65	Low	66.5	Low	54 Å²	54	87.6 Å²	87.6	45%	0.446	47%	0.471	S	S	.	.	H	α-helix	trans	-65.1	-40	174.9	0	0	0	0	0	111.7	S19 A20 E21 L26 A27	S19-A23 VanDerWaalsContact O-CB 3.31Å; S19-A23 WeakPolarHBondContact O-CB 3.5Å; S19-A23 PolarHBondContact O-N 2.88Å; A20-A23 PolarHBondContact O-N 3.11Å; E21-A23 PolarHBondContact O-N 3.35Å; A23-L26 PolarHBondContact O-N 2.63Å; A23-A27 WeakPolarHBondContact O-CB 3.26Å; A23-A27 PolarHBondContact O-N 3.42Å
24	N	59.8	Low	65.8	Low	95 Å²	95	84.7 Å²	84.7	51%	0.508	46%	0.46	S	S	.	.	H	α-helix	trans	-67.5	-42.9	174.8	-71.1	-28.6	0	0	0	111.8	A20 E21 L26 A27 C28	A20-N24 PolarHBondContact O-N 2.82Å; A20-N24 PolarHBondContact O-ND2 2.95Å; E21-N24 PolarHBondContact O-N 2.98Å; N24-L26 PolarHBondContact O-N 3.34Å; N24-A27 WeakPolarHBondContact O-CB 3.4Å; N24-A27 PolarHBondContact O-N 2.71Å; N24-C28 PolarHBondContact O-N 3.06Å; N24-C28 PolarHBondContact O-SG 2.91Å
25	E	68.4	Low	64.8	Low	126 Å²	126	82.5 Å²	82.5	59%	0.589	45%	0.448	S	S	*	.	H	α-helix	trans	-59.7	-45.4	173	-72.1	-178.9	164.1	0	0	111.7	E21 Q22 A27 C28 L29	E21-E25 PolarHBondContact O-N 3.2Å; Q22-E25 PolarHBondContact O-N 2.99Å; E25-A27 VanDerWaalsContact C-N 3.31Å; E25-A27 PolarHBondContact O-N 2.68Å; E25-C28 PolarHBondContact O-N 2.89Å; E25-L29 WeakPolarHBondContact O-CB 3.49Å; E25-L29 WeakPolarHBondContact O-CG 3.46Å; E25-L29 PolarHBondContact O-N 3.1Å
26	L	61.6	Low	64.6	Low	86 Å²	86	80.6 Å²	80.6	45%	0.45	44%	0.443	S	S	.	.	H	α-helix	trans	-62.4	-36.1	174.2	-102.4	92.9	0	0	0	112.6	Q22 A23 N24 L29 R30	Q22-L26 WeakPolarHBondContact O-CB 3.37Å; Q22-L26 WeakPolarHBondContact O-CD1 3.39Å; Q22-L26 PolarHBondContact O-N 3.47Å; A23-L26 PolarHBondContact O-N 2.63Å; N24-L26 PolarHBondContact O-N 3.34Å; L26-L29 PolarHBondContact O-N 2.81Å; L26-R30 VanDerWaalsContact O-CB 3.28Å; L26-R30 WeakPolarHBondContact O-CB 3.49Å; L26-R30 VanDerWaalsContact O-CD 3.3Å; L26-R30 WeakPolarHBondContact O-CD 3.43Å; L26-R30 WeakPolarHBondContact O-CG 3.4Å; L26-R30 PolarHBondContact O-N 3.41Å
27	A	55.1	Low	64.4	Low	48 Å²	48	78 Å²	78	40%	0.397	43%	0.433	S	S	.	.	H	α-helix	trans	-65.3	-42.3	176.8	0	0	0	0	0	111.6	A23 N24 E25 S31	A23-A27 WeakPolarHBondContact O-CB 3.26Å; A23-A27 PolarHBondContact O-N 3.42Å; N24-A27 WeakPolarHBondContact O-CB 3.4Å; N24-A27 PolarHBondContact O-N 2.71Å; E25-A27 VanDerWaalsContact C-N 3.31Å; E25-A27 PolarHBondContact O-N 2.68Å; A27-S31 PolarHBondContact O-N 2.86Å; A27-S31 VanDerWaalsContact O-N 3.09Å
28	C	58.7	Low	63.9	Low	74 Å²	74	75.2 Å²	75.2	50%	0.5	42%	0.419	S	S	.	.	H	α-helix	trans	-62.5	-50.3	172.7	-67.3	0	0	0	0	111.5	N24 E25 R30 S31 S32	N24-C28 PolarHBondContact O-N 3.06Å; N24-C28 PolarHBondContact O-SG 2.91Å; E25-C28 PolarHBondContact O-N 2.89Å; C28-R30 VanDerWaalsContact C-N 3.33Å; C28-R30 PolarHBondContact O-N 2.91Å; C28-S31 WeakPolarHBondContact O-CB 3.37Å; C28-S31 PolarHBondContact O-N 2.82Å; C28-S31 VanDerWaalsContact O-N 3.08Å; C28-S32 PolarHBondContact O-N 3.48Å; C28-S32 PolarHBondContact O-OG 2.89Å
29	L	66.4	Low	63.6	Low	111 Å²	111	75.8 Å²	75.8	58%	0.581	42%	0.421	S	S	*	.	H	α-helix	trans	-60.8	-38.5	179.1	-71.7	169.4	0	0	0	112.7	E25 L26 S32 L33	E25-L29 WeakPolarHBondContact O-CB 3.49Å; E25-L29 WeakPolarHBondContact O-CG 3.46Å; E25-L29 PolarHBondContact O-N 3.1Å; L26-L29 PolarHBondContact O-N 2.81Å; L29-S32 PolarHBondContact O-N 2.9Å; L29-L33 VanDerWaalsContact O-CB 3.23Å; L29-L33 WeakPolarHBondContact O-CB 3.41Å; L29-L33 PolarHBondContact O-N 2.84Å
30	R	54.6	Low	63.5	Low	92 Å²	92	76.2 Å²	76.2	35%	0.347	42%	0.417	S	S	.	.	H	α-helix	trans	-62	-43.3	172.6	-78.4	161.3	165.7	148.2	-4.6	111.8	L26 C28 L33 A34 P326 A328	L26-R30 VanDerWaalsContact O-CB 3.28Å; L26-R30 WeakPolarHBondContact O-CB 3.49Å; L26-R30 VanDerWaalsContact O-CD 3.3Å; L26-R30 WeakPolarHBondContact O-CD 3.43Å; L26-R30 WeakPolarHBondContact O-CG 3.4Å; L26-R30 PolarHBondContact O-N 3.41Å; C28-R30 VanDerWaalsContact C-N 3.33Å; C28-R30 PolarHBondContact O-N 2.91Å; R30-L33 PolarHBondContact O-N 3.35Å; R30-A34 WeakPolarHBondContact O-CB 3.49Å; R30-A34 PolarHBondContact O-N 2.84Å; R30-P326 WeakPolarHBondContact CD-O 3.31Å; R30-P326 WeakPolarHBondContact CG-O 3.49Å; R30-P326 PolarHBondContact NE-O 2.96Å; R30-P326 VanDerWaalsContact NE-O 3.15Å; R30-A328 PolarHBondContact NH2-O 3.07Å
31	S	56.3	Low	63.5	Low	44 Å²	44	78.6 Å²	78.6	31%	0.308	42%	0.423	S	S	.	.	H	α-helix	trans	-62.3	-47.6	177.2	-155.2	0	0	0	0	111.4	A27 C28 A34 D35	A27-S31 PolarHBondContact O-N 2.86Å; A27-S31 VanDerWaalsContact O-N 3.09Å; C28-S31 WeakPolarHBondContact O-CB 3.37Å; C28-S31 PolarHBondContact O-N 2.82Å; C28-S31 VanDerWaalsContact O-N 3.08Å; S31-A34 PolarHBondContact O-N 2.83Å; S31-D35 PolarHBondContact O-N 3.43Å; S31-D35 VanDerWaalsContact O-N 3.11Å
32	S	61.4	Low	63.2	Low	73 Å²	73	80.6 Å²	80.6	51%	0.51	44%	0.435	S	S	.	.	H	α-helix	trans	-65.7	-38.1	177.4	-59.4	0	0	0	0	112.5	C28 L29 D35 C36	C28-S32 PolarHBondContact O-N 3.48Å; C28-S32 PolarHBondContact O-OG 2.89Å; L29-S32 PolarHBondContact O-N 2.9Å; S32-D35 PolarHBondContact O-N 3.35Å; S32-C36 WeakPolarHBondContact O-CB 3.41Å; S32-C36 PolarHBondContact O-N 3.42Å; S32-C36 PolarHBondContact O-SG 2.88Å; S32-C36 VanDerWaalsContact O-SG 3.32Å
33	L	67.8	Low	62.8	Low	105 Å²	105	79.5 Å²	79.5	55%	0.55	43%	0.432	S	S	.	.	H	α-helix	trans	-67.3	-42.8	176.2	-179.6	61.2	0	0	0	112	L29 R30 D35 C36 L37	L29-L33 VanDerWaalsContact O-CB 3.23Å; L29-L33 WeakPolarHBondContact O-CB 3.41Å; L29-L33 PolarHBondContact O-N 2.84Å; R30-L33 PolarHBondContact O-N 3.35Å; L33-D35 VanDerWaalsContact C-N 3.32Å; L33-D35 PolarHBondContact O-N 3.15Å; L33-C36 PolarHBondContact O-N 2.68Å; L33-L37 HydrophobicContact CD1-CD1 4.44Å; L33-L37 HydrophobicContact CD1-CG 4.4Å; L33-L37 HydrophobicContact CG-CD1 4.2Å; L33-L37 WeakPolarHBondContact O-CG 3.23Å; L33-L37 PolarHBondContact O-N 3.05Å
34	A	60.4	Low	62.9	Low	23 Å²	23	82.6 Å²	82.6	19%	0.19	44%	0.438	C	S	.	.	H	α-helix	trans	-59.5	-43.7	175.4	0	0	0	0	0	111.2	R30 S31 L37 R38	R30-A34 WeakPolarHBondContact O-CB 3.49Å; R30-A34 PolarHBondContact O-N 2.84Å; S31-A34 PolarHBondContact O-N 2.83Å; A34-L37 PolarHBondContact O-N 2.79Å; A34-R38 WeakPolarHBondContact O-CG 3.42Å; A34-R38 PolarHBondContact O-N 3.28Å
35	D	56.3	Low	63	Low	24 Å²	24	81.5 Å²	81.5	13%	0.128	44%	0.437	C	S	.	.	H	α-helix	trans	-67.4	-40	176.3	-166.9	50.3	0	0	0	113	S31 S32 L33 L37 R38 R39 H480	S31-D35 PolarHBondContact O-N 3.43Å; S31-D35 VanDerWaalsContact O-N 3.11Å; S32-D35 PolarHBondContact O-N 3.35Å; L33-D35 VanDerWaalsContact C-N 3.32Å; L33-D35 PolarHBondContact O-N 3.15Å; D35-L37 VanDerWaalsContact C-N 3.31Å; D35-L37 PolarHBondContact O-N 3.09Å; D35-R38 PolarHBondContact O-N 2.9Å; D35-R38 IonicContact OD1-NE 3.58Å; D35-R38 IonicContact OD1-NH2 2.61Å; D35-R39 WeakPolarHBondContact O-CB 3.49Å; D35-R39 VanDerWaalsContact O-CG 3.29Å; D35-R39 WeakPolarHBondContact O-CG 3.23Å; D35-R39 PolarHBondContact O-N 3.32Å; D35-R39 IonicContact OD1-NE 2.96Å; D35-R39 IonicContact OD2-CZ 3.84Å; D35-R39 IonicContact OD2-NE 3.67Å; D35-R39 PolarHBondContact OD2-NE 2.94Å; D35-R39 IonicContact OD2-NH2 2.71Å; D35-R39 PolarHBondContact OD2-NH2 3.19Å; D35-H480 IonicContact OD1-CE1 3.41Å; D35-H480 PolarHBondContact OD1-CE1 3.28Å; D35-H480 IonicContact OD1-ND1 2.88Å; D35-H480 PolarHBondContact OD1-ND1 2.77Å
36	C	66.7	Low	62.5	Low	69 Å²	69	77.9 Å²	77.9	47%	0.466	43%	0.429	S	S	.	.	H	α-helix	trans	-58.5	-40.6	171.6	-77.5	0	0	0	0	112.6	S32 L33 R39 L40	S32-C36 WeakPolarHBondContact O-CB 3.41Å; S32-C36 PolarHBondContact O-N 3.42Å; S32-C36 PolarHBondContact O-SG 2.88Å; S32-C36 VanDerWaalsContact O-SG 3.32Å; L33-C36 PolarHBondContact O-N 2.68Å; C36-R39 PolarHBondContact O-N 3.34Å; C36-L40 WeakPolarHBondContact O-CB 3.45Å; C36-L40 WeakPolarHBondContact O-CG 3.44Å; C36-L40 PolarHBondContact O-N 3.12Å
37	L	69.4	Low	62.1	Low	67 Å²	67	82.3 Å²	82.3	35%	0.351	44%	0.44	S	S	.	.	H	α-helix	trans	-68.1	-41.2	175.8	-70.3	169.9	0	0	0	112	L33 A34 D35 L40 N41	L33-L37 HydrophobicContact CD1-CD1 4.44Å; L33-L37 HydrophobicContact CD1-CG 4.4Å; L33-L37 HydrophobicContact CG-CD1 4.2Å; L33-L37 WeakPolarHBondContact O-CG 3.23Å; L33-L37 PolarHBondContact O-N 3.05Å; A34-L37 PolarHBondContact O-N 2.79Å; D35-L37 VanDerWaalsContact C-N 3.31Å; D35-L37 PolarHBondContact O-N 3.09Å; L37-L40 PolarHBondContact O-N 2.97Å; L37-N41 PolarHBondContact O-N 2.84Å
38	R	62.6	Low	61.7	Low	54 Å²	54	82.3 Å²	82.3	20%	0.204	44%	0.444	C	S	.	.	H	α-helix	trans	-60.9	-44.8	172.9	-71.5	-172.9	-67.1	-134.4	8.6	111.6	A34 D35 L40 N41 L42 H480 D993	A34-R38 WeakPolarHBondContact O-CG 3.42Å; A34-R38 PolarHBondContact O-N 3.28Å; D35-R38 PolarHBondContact O-N 2.9Å; D35-R38 IonicContact OD1-NE 3.58Å; D35-R38 IonicContact OD1-NH2 2.61Å; R38-L40 VanDerWaalsContact C-N 3.35Å; R38-L40 PolarHBondContact O-N 3.21Å; R38-N41 PolarHBondContact O-N 3.22Å; R38-L42 WeakPolarHBondContact O-CG 3.24Å; R38-L42 PolarHBondContact O-N 3.22Å; R38-L42 VanDerWaalsContact O-N 3.07Å; R38-H480 PolarHBondContact NH2-NE2 2.99Å; R38-D993 IonicContact NH1-OD2 3.11Å
39	R	67.7	Low	61.1	Low	141 Å²	141	86 Å²	86	53%	0.532	46%	0.456	S	S	.	.	H	α-helix	trans	-61.9	-38.7	174.9	-69	176.8	-164.4	-141.6	5.9	112.3	D35 C36 L43	D35-R39 WeakPolarHBondContact O-CB 3.49Å; D35-R39 VanDerWaalsContact O-CG 3.29Å; D35-R39 WeakPolarHBondContact O-CG 3.23Å; D35-R39 PolarHBondContact O-N 3.32Å; D35-R39 IonicContact OD1-NE 2.96Å; D35-R39 IonicContact OD2-CZ 3.84Å; D35-R39 IonicContact OD2-NE 3.67Å; D35-R39 PolarHBondContact OD2-NE 2.94Å; D35-R39 IonicContact OD2-NH2 2.71Å; D35-R39 PolarHBondContact OD2-NH2 3.19Å; C36-R39 PolarHBondContact O-N 3.34Å; R39-L43 WeakPolarHBondContact O-CB 3.49Å; R39-L43 VanDerWaalsContact O-CG 3.28Å; R39-L43 WeakPolarHBondContact O-CG 3.39Å; R39-L43 PolarHBondContact O-N 3.34Å
40	L	66.4	Low	60.1	Low	86 Å²	86	88.9 Å²	88.9	45%	0.45	46%	0.464	S	S	.	.	H	α-helix	trans	-63.8	-49.7	174.3	-81.4	164.3	0	0	0	111.9	C36 L37 R38 L42 L43 E44	C36-L40 WeakPolarHBondContact O-CB 3.45Å; C36-L40 WeakPolarHBondContact O-CG 3.44Å; C36-L40 PolarHBondContact O-N 3.12Å; L37-L40 PolarHBondContact O-N 2.97Å; R38-L40 VanDerWaalsContact C-N 3.35Å; R38-L40 PolarHBondContact O-N 3.21Å; L40-L42 VanDerWaalsContact C-N 3.28Å; L40-L42 PolarHBondContact O-N 3.18Å; L40-L43 PolarHBondContact O-N 3.1Å; L40-E44 WeakPolarHBondContact O-CG 3.42Å; L40-E44 PolarHBondContact O-N 2.91Å
41	N	65.5	Low	59.5	Low	102 Å²	102	91.3 Å²	91.3	55%	0.545	48%	0.483	S	S	.	.	H	α-helix	trans	-56.8	-41.5	177.4	-73	-7.5	0	0	0	111.9	L37 R38 E44 S45	L37-N41 PolarHBondContact O-N 2.84Å; R38-N41 PolarHBondContact O-N 3.22Å; N41-E44 PolarHBondContact O-N 2.96Å; N41-S45 WeakPolarHBondContact O-CB 3.36Å; N41-S45 PolarHBondContact O-N 3.22Å; N41-S45 PolarHBondContact O-OG 2.83Å
42	L	64.1	Low	58.8	Low	95 Å²	95	97.8 Å²	97.8	50%	0.497	51%	0.508	S	S	.	.	H	α-helix	trans	-64.5	-40.5	175.1	-71.3	169.7	0	0	0	112.5	R38 L40 A46	R38-L42 WeakPolarHBondContact O-CG 3.24Å; R38-L42 PolarHBondContact O-N 3.22Å; R38-L42 VanDerWaalsContact O-N 3.07Å; L40-L42 VanDerWaalsContact C-N 3.28Å; L40-L42 PolarHBondContact O-N 3.18Å; L42-A46 VanDerWaalsContact O-CB 3.32Å; L42-A46 WeakPolarHBondContact O-CB 3.33Å; L42-A46 PolarHBondContact O-N 3.49Å
43	L	64.6	Low	57.5	Low	101 Å²	101	99.2 Å²	99.2	53%	0.529	52%	0.518	S	S	.	.	H	α-helix	trans	-69.7	-35.9	177	-75	169.2	0	0	0	113	R39 L40 R47	R39-L43 WeakPolarHBondContact O-CB 3.49Å; R39-L43 VanDerWaalsContact O-CG 3.28Å; R39-L43 WeakPolarHBondContact O-CG 3.39Å; R39-L43 PolarHBondContact O-N 3.34Å; L40-L43 PolarHBondContact O-N 3.1Å; L43-R47 WeakPolarHBondContact O-CB 3.38Å; L43-R47 VanDerWaalsContact O-CG 3.28Å; L43-R47 WeakPolarHBondContact O-CG 3.5Å; L43-R47 PolarHBondContact O-N 2.76Å
44	E	67	Low	56	Low	119 Å²	119	99.1 Å²	99.1	56%	0.556	53%	0.526	S	S	*	.	H	α-helix	trans	-69.9	-43.5	175.4	-70.3	-172.1	169.5	0	0	111.2	L40 N41 A46 R47 G48	L40-E44 WeakPolarHBondContact O-CG 3.42Å; L40-E44 PolarHBondContact O-N 2.91Å; N41-E44 PolarHBondContact O-N 2.96Å; E44-A46 VanDerWaalsContact C-N 3.32Å; E44-A46 PolarHBondContact O-N 2.82Å; E44-R47 PolarHBondContact O-N 3.18Å; E44-R47 VanDerWaalsContact O-N 3.07Å; E44-G48 PolarHBondContact O-N 3.33Å
45	S	62	Low	54.7	Low	71 Å²	71	103.4 Å²	103.4	50%	0.497	56%	0.555	S	S	.	*	H	α-helix	trans	-56.2	-45.7	171.7	-57.5	0	0	0	0	111.6	N41 R47 G48 M49	N41-S45 WeakPolarHBondContact O-CB 3.36Å; N41-S45 PolarHBondContact O-N 3.22Å; N41-S45 PolarHBondContact O-OG 2.83Å; S45-R47 VanDerWaalsContact C-N 3.32Å; S45-R47 PolarHBondContact O-N 2.9Å; S45-G48 PolarHBondContact O-N 2.89Å; S45-M49 PolarHBondContact O-N 2.94Å
46	A	57.2	Low	53.7	Low	51 Å²	51	114.2 Å²	114.2	42%	0.421	59%	0.594	S	S	.	*	H	α-helix	trans	-69.6	-24	177.1	0	0	0	0	0	114.1	L42 E44	L42-A46 VanDerWaalsContact O-CB 3.32Å; L42-A46 WeakPolarHBondContact O-CB 3.33Å; L42-A46 PolarHBondContact O-N 3.49Å; E44-A46 VanDerWaalsContact C-N 3.32Å; E44-A46 PolarHBondContact O-N 2.82Å
47	R	54.7	Low	52.2	Low	179 Å²	179	120.3 Å²	120.3	68%	0.675	61%	0.612	S	S	*	*	H	α-helix	trans	-77.5	-39.4	173.7	-80.2	172.5	174.9	-179.6	0.1	112	L43 E44 S45 M49 K50	L43-R47 WeakPolarHBondContact O-CB 3.38Å; L43-R47 VanDerWaalsContact O-CG 3.28Å; L43-R47 WeakPolarHBondContact O-CG 3.5Å; L43-R47 PolarHBondContact O-N 2.76Å; E44-R47 PolarHBondContact O-N 3.18Å; E44-R47 VanDerWaalsContact O-N 3.07Å; S45-R47 VanDerWaalsContact C-N 3.32Å; S45-R47 PolarHBondContact O-N 2.9Å; R47-M49 VanDerWaalsContact C-N 3.31Å; R47-M49 PolarHBondContact O-N 2.99Å; R47-K50 PolarHBondContact O-N 2.88Å; R47-K50 VanDerWaalsContact O-N 3.09Å
48	G	45.8	Very low	50.6	Low	47 Å²	47	123.2 Å²	123.2	49%	0.485	64%	0.635	S	S	.	*	H	α-helix	trans	-53.8	-47.2	175.5	0	0	0	0	0	112.3	E44 S45 K50 L51	E44-G48 PolarHBondContact O-N 3.33Å; S45-G48 PolarHBondContact O-N 2.89Å; G48-K50 PolarHBondContact O-N 2.96Å; G48-K50 VanDerWaalsContact O-N 3.15Å; G48-L51 PolarHBondContact O-N 3.04Å
49	M	46.6	Very low	49.4	Very low	152 Å²	152	127.1 Å²	127.1	75%	0.749	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-18.4	179.3	-61.1	179.7	-145.8	0	0	114.8	S45 R47	S45-M49 PolarHBondContact O-N 2.94Å; R47-M49 VanDerWaalsContact C-N 3.31Å; R47-M49 PolarHBondContact O-N 2.99Å
50	K	45.2	Very low	47.7	Very low	172 Å²	172	128 Å²	128	75%	0.748	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-5.9	-176.1	-75.7	-171.6	175.9	180	0	115.3	R47 G48	R47-K50 PolarHBondContact O-N 2.88Å; R47-K50 VanDerWaalsContact O-N 3.09Å; G48-K50 PolarHBondContact O-N 2.96Å; G48-K50 VanDerWaalsContact O-N 3.15Å
51	L	41.7	Very low	46.4	Very low	142 Å²	142	133.2 Å²	133.2	74%	0.743	70%	0.701	S	S	*	*	S	Bend	trans	-106.6	-0.8	-179.9	-76.8	165.6	0	0	0	114.4	G48	G48-L51 PolarHBondContact O-N 3.04Å
52	H	41	Very low	44.9	Very low	181 Å²	181	135 Å²	135	84%	0.838	71%	0.71	S	S	*	*	S	Bend	trans	-115	53.8	174.4	-77.2	-10.5	0	0	0	113
53	S	34.9	Very low	43.7	Very low	102 Å²	102	137.9 Å²	137.9	71%	0.713	73%	0.726	S	S	*	*	S	Bend	trans	-134.4	30.4	173.8	56.8	0	0	0	0	114
54	S	36.3	Very low	42.4	Very low	104 Å²	104	135.9 Å²	135.9	73%	0.727	73%	0.73	S	S	*	*	S	Bend	trans	-147.1	141.1	165.2	67.7	0	0	0	0	114.5
55	S	33.3	Very low	41.1	Very low	113 Å²	113	136.5 Å²	136.5	79%	0.79	74%	0.742	S	S	*	*			trans	58	90.1	168.8	64.5	0	0	0	0	119.4
56	R	35.3	Very low	40	Very low	251 Å²	251	140 Å²	140	95%	0.947	76%	0.755	S	S	*	*			trans	-142.7	131.2	135.7	-102.5	174.9	-171.2	-168.2	1.8	109.3
57	K	35	Very low	39.2	Very low	196 Å²	196	143.5 Å²	143.5	85%	0.852	77%	0.771	S	S	*	*			trans	-87.7	141	177.4	-67.9	178.7	177.7	178.2	0	109.6
58	P	35.1	Very low	38.4	Very low	129 Å²	129	140 Å²	140	84%	0.838	77%	0.77	S	S	*	*			trans	-71.4	144.3	168.3	31.1	-33.7	0	0	0	110.5
59	V	38.9	Very low	38.1	Very low	136 Å²	136	146.2 Å²	146.2	82%	0.824	78%	0.783	S	S	*	*			trans	-113.6	130.2	168.3	176.5	0	0	0	0	107.7
60	L	31.1	Very low	37.8	Very low	160 Å²	160	144.8 Å²	144.8	84%	0.838	78%	0.783	S	S	*	*			trans	-75.8	136.1	179.6	-73.7	152.8	0	0	0	110.9
61	H	39.4	Very low	37.5	Very low	194 Å²	194	143.1 Å²	143.1	90%	0.898	78%	0.783	S	S	*	*			trans	-126.1	151.4	147.2	-102.5	37.9	0	0	0	108.8
62	N	34.3	Very low	37.4	Very low	140 Å²	140	141.3 Å²	141.3	75%	0.749	78%	0.782	S	S	*	*			trans	-128.2	171.6	-159.7	-163.5	12.1	0	0	0	110.8
63	N	38.4	Very low	37.3	Very low	155 Å²	155	143.5 Å²	143.5	83%	0.829	78%	0.783	S	S	*	*			trans	79.8	126	-176.4	-43.5	-26.1	0	0	0	113.5
64	G	37.8	Very low	37.6	Very low	60 Å²	60	144.2 Å²	144.2	62%	0.619	78%	0.783	S	S	*	*			cis	161.8	151.4	-11.8	0	0	0	0	0	113.6
65	T	39.7	Very low	37.7	Very low	132 Å²	132	146.4 Å²	146.4	81%	0.81	79%	0.787	S	S	*	*			trans	63	147.4	170.9	66.1	0	0	0	0	116.9
66	N	39.1	Very low	38.1	Very low	143 Å²	143	145.5 Å²	145.5	77%	0.765	78%	0.781	S	S	*	*			cis	-149.2	156.4	-23.9	-86.3	-30.5	0	0	0	104.7
67	V	39.5	Very low	38.2	Very low	126 Å²	126	138 Å²	138	76%	0.764	77%	0.767	S	S	*	*				177.7	138.5	80.7	159.6	0	0	0	0	108.1
68	T	38.3	Very low	38.3	Very low	104 Å²	104	139.4 Å²	139.4	64%	0.638	77%	0.768	S	S	*	*			trans	-2.8	152.9	160.7	58.9	0	0	0	0	121.4
69	K	40.1	Very low	38.4	Very low	178 Å²	178	137.5 Å²	137.5	77%	0.774	76%	0.758	S	S	*	*			cis	-178.1	-177.2	10.1	-102.3	165.3	-171.7	168.6	0	105.8
70	T	38.6	Very low	38.4	Very low	122 Å²	122	135.1 Å²	135.1	75%	0.748	75%	0.747	S	S	*	*			cis	-174.3	169.5	-11.1	28.2	0	0	0	0	107.4
71	N	40.4	Very low	38.7	Very low	138 Å²	138	137.2 Å²	137.2	74%	0.738	74%	0.744	S	S	*	*			cis	178.2	174.4	-28.5	-165.8	2.8	0	0	0	108.7
72	S	38.9	Very low	38.6	Very low	104 Å²	104	136.2 Å²	136.2	73%	0.727	73%	0.732	S	S	*	*			trans	76.1	134.4	179.6	67.9	0	0	0	0	117.6
73	R	39.7	Very low	38.8	Very low	227 Å²	227	136.2 Å²	136.2	86%	0.857	73%	0.728	S	S	*	*			cis	91.3	145.8	28.4	-71	-174	177.8	-177.2	-0.6	114.1
74	T	40.1	Very low	38.8	Very low	116 Å²	116	133.9 Å²	133.9	71%	0.712	72%	0.719	S	S	*	*			cis	-173.1	177.6	-3.6	25.8	0	0	0	0	106.7
75	D	39.1	Very low	38.8	Very low	150 Å²	150	138.4 Å²	138.4	80%	0.802	73%	0.729	S	S	*	*			cis	-168.9	-175.2	0.1	-123.3	-57.9	0	0	0	106.4
76	S	40.3	Very low	38.7	Very low	95 Å²	95	137 Å²	137	66%	0.664	73%	0.725	S	S	*	*			cis	-168.1	-171.7	-14.2	82.7	0	0	0	0	106.1
77	S	39.1	Very low	38.7	Very low	94 Å²	94	141.3 Å²	141.3	66%	0.657	73%	0.73	S	S	*	*			cis	-173.9	-162.4	-21.7	53.3	0	0	0	0	109.6
78	Y	35.8	Very low	38.6	Very low	224 Å²	224	142.7 Å²	142.7	88%	0.878	73%	0.734	S	S	*	*			trans	74.2	152.4	169.9	-98.2	-120.1	0	0	0	120.3
79	S	38.2	Very low	39.2	Very low	89 Å²	89	142.3 Å²	142.3	62%	0.622	73%	0.733	S	S	*	*			cis	173.5	167.2	-27.4	-175.3	0	0	0	0	110.1
80	S	39.2	Very low	39.1	Very low	87 Å²	87	140 Å²	140	61%	0.608	73%	0.734	S	S	*	*				-167.1	174	-61.8	60.7	0	0	0	0	111.8
81	R	37.4	Very low	39.1	Very low	204 Å²	204	138.8 Å²	138.8	77%	0.77	73%	0.73	S	S	*	*			trans	85.2	154.3	163.1	-61.8	173	174.6	-162.6	-1.1	119.3
82	R	37.1	Very low	39	Very low	172 Å²	172	139.3 Å²	139.3	65%	0.649	74%	0.738	S	S	*	*			cis	-170.3	152.6	-4	-114.2	170.9	174.6	-159.3	-6	116.4
83	H	39.1	Very low	38.7	Very low	140 Å²	140	137.1 Å²	137.1	65%	0.648	73%	0.732	S	S	*	*			trans	66.6	155.5	143.3	-64.9	-30.8	0	0	0	122.8
84	T	38.2	Very low	38.8	Very low	106 Å²	106	135.6 Å²	135.6	65%	0.65	74%	0.735	S	S	*	*			cis	-167.5	145.8	-10	23.8	0	0	0	0	116.5
85	N	37	Very low	38.5	Very low	156 Å²	156	138.6 Å²	138.6	83%	0.834	74%	0.74	S	S	*	*			trans	48.6	140.2	140.6	-60.6	-0.8	0	0	0	126.8
86	S	37.9	Very low	38.4	Very low	102 Å²	102	136.4 Å²	136.4	71%	0.713	74%	0.737	S	S	*	*				173.9	128.6	122.7	-172.4	0	0	0	0	118.3
87	R	39.6	Very low	38.2	Very low	233 Å²	233	140.4 Å²	140.4	88%	0.879	74%	0.743	S	S	*	*			trans	67	94	148.9	-69.1	171.4	-174.1	-174.6	0.6	126.3
88	N	36.5	Very low	38	Very low	156 Å²	156	143.5 Å²	143.5	83%	0.834	75%	0.752	S	S	*	*				21.5	167.4	103.9	-80.4	20.9	0	0	0	123.9
89	P	51.7	Low	38.1	Very low	96 Å²	96	138 Å²	138	62%	0.623	75%	0.746	S	S	*	*			cis	-152.8	-178.3	-32.5	42.2	-22.1	0	0	0	118.9
90	T	37.9	Very low	37.8	Very low	129 Å²	129	144.3 Å²	144.3	79%	0.791	76%	0.756	S	S	*	*			trans	65.1	156.1	150.3	43.2	0	0	0	0	121.9
91	S	38.1	Very low	37.7	Very low	97 Å²	97	146.5 Å²	146.5	68%	0.678	76%	0.761	S	S	*	*			cis	-167	150	-8.5	47.4	0	0	0	0	114.1
92	T	38.5	Very low	37.5	Very low	148 Å²	148	141.5 Å²	141.5	91%	0.908	76%	0.757	S	S	*	*				159.1	168.3	125.9	44.2	0	0	0	0	111.4
93	G	33.3	Very low	37.2	Very low	58 Å²	58	138.1 Å²	138.1	60%	0.598	76%	0.76	S	S	*	*			cis	-168.2	-79.4	1.8	0	0	0	0	0	115.6
94	H	40.1	Very low	36.7	Very low	195 Å²	195	139.3 Å²	139.3	90%	0.903	77%	0.77	S	S	*	*			trans	-98.1	137.7	-168.3	-61.6	-78.6	0	0	0	113.4
95	Q	34	Very low	36.5	Very low	179 Å²	179	140.7 Å²	140.7	84%	0.836	78%	0.778	S	S	*	*			cis	85.3	105.6	29.2	-67.9	-158.3	17.9	0	0	117.9
96	S	37.6	Very low	36.3	Very low	105 Å²	105	138.8 Å²	138.8	73%	0.734	77%	0.772	S	S	*	*			trans	-177.2	113.8	133.9	-179.2	0	0	0	0	114.7
97	K	36.8	Very low	36.5	Very low	179 Å²	179	139.9 Å²	139.9	78%	0.778	78%	0.776	S	S	*	*			trans	47.2	122.2	139.6	-61.9	170.1	-175	174.8	0	120.2
98	N	33.4	Very low	36.1	Very low	159 Å²	159	137.2 Å²	137.2	85%	0.85	77%	0.773	S	S	*	*				61.6	139	90.9	-58.4	-7	0	0	0	114.2
99	S	37.5	Very low	36	Very low	107 Å²	107	134.9 Å²	134.9	75%	0.748	77%	0.769	S	S	*	*			cis	-151.4	144.8	21	53.9	0	0	0	0	112.1
100	R	33.8	Very low	35	Very low	223 Å²	223	136.1 Å²	136.1	84%	0.842	78%	0.776	S	S	*	*				52.7	148	108.3	-65.9	-166.2	175.2	171.9	-1.5	120.2
101	D	35.5	Very low	34.8	Very low	133 Å²	133	136.4 Å²	136.4	71%	0.711	78%	0.777	S	S	*	*			trans	88	102.1	152.2	-57.4	-37.1	0	0	0	121.1
102	S	33.6	Very low	34.5	Very low	99 Å²	99	136 Å²	136	69%	0.692	78%	0.78	S	S	*	*				68.4	113.3	114.3	-54.1	0	0	0	0	122.7
103	S	31.4	Very low	34.1	Very low	100 Å²	100	134 Å²	134	70%	0.699	77%	0.771	S	S	*	*			trans	62.9	125.6	130.8	65.8	0	0	0	0	122.3
104	L	29	Very low	34.1	Very low	166 Å²	166	137.5 Å²	137.5	87%	0.869	78%	0.782	S	S	*	*			trans	62.7	128.1	142.6	-61.8	167.7	0	0	0	119.5
105	V	33.1	Very low	33.5	Very low	135 Å²	135	134.5 Å²	134.5	82%	0.818	78%	0.777	S	S	*	*				-179.4	144.3	109.8	148	0	0	0	0	110
106	V	33.8	Very low	33.5	Very low	116 Å²	116	130.1 Å²	130.1	70%	0.703	77%	0.772	S	S	*	*			trans	-111.6	145.4	175.2	-174.8	0	0	0	0	109.1
107	P	40.7	Very low	33.1	Very low	124 Å²	124	136.7 Å²	136.7	81%	0.805	78%	0.78	S	S	*	*			trans	-104.2	116.1	159	2.3	18.6	0	0	0	111.9
108	H	32.3	Very low	32.9	Very low	177 Å²	177	135.4 Å²	135.4	82%	0.819	79%	0.788	S	S	*	*			trans	-97	135.9	159.4	-80.3	-67.8	0	0	0	109.9
109	S	34.4	Very low	32.7	Very low	107 Å²	107	138.7 Å²	138.7	75%	0.748	79%	0.788	S	S	*	*			trans	177.3	107.9	147	46.8	0	0	0	0	109.5
110	T	31	Very low	32.4	Very low	123 Å²	123	140.9 Å²	140.9	76%	0.755	79%	0.791	S	S	*	*				86.1	136.1	63.5	58.6	0	0	0	0	116.5
111	T	31.7	Very low	32.3	Very low	135 Å²	135	139.5 Å²	139.5	83%	0.828	79%	0.791	S	S	*	*			trans	79.3	127.8	148.8	40	0	0	0	0	123.6
112	A	33.4	Very low	32.1	Very low	88 Å²	88	137.7 Å²	137.7	73%	0.727	79%	0.789	S	S	*	*			trans	89.9	103.1	135.6	0	0	0	0	0	121.7
113	S	28.7	Very low	32.4	Very low	105 Å²	105	138.9 Å²	138.9	73%	0.734	79%	0.794	S	S	*	*			trans	9.9	134.3	133.1	55	0	0	0	0	120.8
114	T	33.2	Very low	32.6	Very low	132 Å²	132	143 Å²	143	81%	0.81	80%	0.803	S	S	*	*				-176.9	154.2	102.2	-71.4	0	0	0	0	112.6
115	T	29.5	Very low	32.9	Very low	132 Å²	132	140.3 Å²	140.3	81%	0.81	80%	0.797	S	S	*	*			trans	-47.8	152.3	177.4	-37.5	0	0	0	0	117.4
116	A	32.9	Very low	33.1	Very low	87 Å²	87	140.4 Å²	140.4	72%	0.719	80%	0.798	S	S	*	*			trans	115.1	115.8	141	0	0	0	0	0	120.1
117	R	28.2	Very low	33	Very low	243 Å²	243	145.8 Å²	145.8	92%	0.917	81%	0.806	S	S	*	*			trans	20.3	122.4	145.6	-63.3	176.2	173.9	174.2	-1.8	119.9
118	T	34.3	Very low	32.7	Very low	153 Å²	153	147.7 Å²	147.7	94%	0.939	81%	0.808	S	S	*	*				-158.8	178.1	123.4	2.4	0	0	0	0	112.4
119	R	28.8	Very low	32.9	Very low	227 Å²	227	143.3 Å²	143.3	86%	0.857	80%	0.797	S	S	*	*			trans	-110.6	174.2	-169.8	-70.8	174.6	153.1	-173.2	-5	112.9
120	L	30.4	Very low	32.9	Very low	154 Å²	154	143.6 Å²	143.6	81%	0.806	80%	0.799	S	S	*	*			trans	85.8	149.3	162.5	-57.9	153.8	0	0	0	113.7
121	K	32.3	Very low	33.1	Very low	193 Å²	193	142.9 Å²	142.9	84%	0.839	80%	0.8	S	S	*	*			cis	-150.8	159.7	15.1	-137.4	153.9	-172.1	179.2	0	111.5
122	S	30.4	Very low	33.3	Very low	96 Å²	96	141.5 Å²	141.5	67%	0.671	80%	0.795	S	S	*	*			trans	-103.6	167.7	171.7	62.3	0	0	0	0	112.3
123	P	40.9	Very low	33.2	Very low	124 Å²	124	143 Å²	143	81%	0.805	80%	0.796	S	S	*	*			trans	-79.1	157.3	165.2	-6.7	25.1	0	0	0	112.7
124	Q	35.4	Very low	33.3	Very low	187 Å²	187	143.8 Å²	143.8	87%	0.874	80%	0.796	S	S	*	*			trans	-125.7	152.4	163.5	-68.2	-178.7	-26.3	0	0	107.4
125	S	35.3	Very low	33.3	Very low	108 Å²	108	145.2 Å²	145.2	76%	0.755	80%	0.798	S	S	*	*				171.7	155.8	85.5	-161.7	0	0	0	0	106.1
126	V	36.6	Very low	33.3	Very low	138 Å²	138	145.4 Å²	145.4	84%	0.836	79%	0.794	S	S	*	*				-154	165.6	61.3	169.7	0	0	0	0	110.3
127	R	33	Very low	33.1	Very low	228 Å²	228	147.5 Å²	147.5	86%	0.86	79%	0.793	S	S	*	*			trans	-108.9	162.7	-172.4	-66.1	173.5	167.5	172.7	-5.4	114.5
128	L	34.4	Very low	33.2	Very low	164 Å²	164	144.8 Å²	144.8	86%	0.859	79%	0.791	S	S	*	*				171.9	141.7	126.7	-88	162.4	0	0	0	106.9
129	S	35.4	Very low	33.1	Very low	85 Å²	85	140.8 Å²	140.8	59%	0.594	78%	0.78	S	S	*	*			cis	171.1	124.8	-17.6	43.7	0	0	0	0	108.2
130	S	34.1	Very low	33.1	Very low	113 Å²	113	137.3 Å²	137.3	79%	0.79	78%	0.784	S	S	*	*			trans	53.2	142.5	147.6	61.5	0	0	0	0	121
131	S	36.3	Very low	33.3	Very low	109 Å²	109	133.2 Å²	133.2	76%	0.762	78%	0.779	S	S	*	*			cis	-156.4	-166.5	17.9	-49.1	0	0	0	0	109.6
132	S	36	Very low	33.2	Very low	105 Å²	105	130.3 Å²	130.3	73%	0.734	78%	0.777	S	S	*	*			cis	-164	134	-9.6	20.7	0	0	0	0	112.4
133	T	32	Very low	33.4	Very low	121 Å²	121	131.8 Å²	131.8	74%	0.742	79%	0.787	S	S	*	*			trans	19.3	117	143.8	39.6	0	0	0	0	125.3
134	T	30.5	Very low	33	Very low	120 Å²	120	129.4 Å²	129.4	74%	0.736	79%	0.786	S	S	*	*				40.1	136.8	118.4	62.8	0	0	0	0	124
135	L	32.5	Very low	33	Very low	163 Å²	163	124.6 Å²	124.6	85%	0.853	78%	0.778	S	S	*	*				-176.6	-174.8	107.4	-105.5	163.4	0	0	0	115.4
136	N	29.5	Very low	32.9	Very low	136 Å²	136	125.5 Å²	125.5	73%	0.727	78%	0.779	S	S	*	*			trans	-101.6	167.3	-161	-75.5	-24.9	0	0	0	117.2
137	N	29.8	Very low	32.9	Very low	131 Å²	131	125.9 Å²	125.9	70%	0.701	78%	0.776	S	S	*	*			trans	83.5	119.3	142.8	-84.2	-9.3	0	0	0	123.5
138	Q	30.2	Very low	32.8	Very low	185 Å²	185	123 Å²	123	86%	0.864	77%	0.772	S	S	*	*				64.6	136	129.7	-58.8	-178.3	14.2	0	0	122.3
139	G	30.6	Very low	32.7	Very low	69 Å²	69	120.3 Å²	120.3	71%	0.711	76%	0.763	S	S	*	*			trans	129.3	88.2	175.4	0	0	0	0	0	111.9
140	V	30.3	Very low	32.4	Very low	154 Å²	154	127 Å²	127	93%	0.933	78%	0.776	S	S	*	*				71	115.5	77.6	-180	0	0	0	0	113.9
141	G	33.4	Very low	32.3	Very low	69 Å²	69	132.4 Å²	132.4	71%	0.711	78%	0.778	S	S	*	*			trans	135.5	88.6	178.4	0	0	0	0	0	111.7
142	V	31.6	Very low	32.2	Very low	132 Å²	132	134.6 Å²	134.6	80%	0.8	78%	0.781	S	S	*	*				95.8	127.5	55.8	171.3	0	0	0	0	112.4
143	S	34	Very low	31.9	Very low	126 Å²	126	140.4 Å²	140.4	88%	0.881	79%	0.787	S	S	*	*			trans	60.4	149.9	179.5	71.6	0	0	0	0	117.1
144	G	32.8	Very low	31.9	Very low	75 Å²	75	142.6 Å²	142.6	77%	0.773	79%	0.793	S	S	*	*			cis	176.6	167	-7.5	0	0	0	0	0	109.8
145	A	34.9	Very low	31.8	Very low	85 Å²	85	142.8 Å²	142.8	70%	0.702	79%	0.794	S	S	*	*			cis	-164.4	163.9	-6.6	0	0	0	0	0	111.2
146	T	33.9	Very low	31.7	Very low	127 Å²	127	140 Å²	140	78%	0.779	79%	0.788	S	S	*	*			trans	65.4	148.1	157.9	49	0	0	0	0	119.8
147	N	35.4	Very low	31.8	Very low	146 Å²	146	137.6 Å²	137.6	78%	0.781	79%	0.787	S	S	*	*			cis	-143.8	162	12.5	-133.6	-15.1	0	0	0	116.3
148	Q	31.7	Very low	31.7	Very low	167 Å²	167	136.7 Å²	136.7	78%	0.78	79%	0.791	S	S	*	*			trans	-149	171.9	179.9	-55.9	-172.9	10.9	0	0	109.4
149	T	31.2	Very low	31.7	Very low	109 Å²	109	131.8 Å²	131.8	67%	0.669	78%	0.777	S	S	*	*			cis	-134.7	-121	6.7	-24	0	0	0	0	109.6
150	R	30.6	Very low	31.6	Very low	226 Å²	226	136.8 Å²	136.8	85%	0.853	78%	0.782	S	S	*	*			cis	-154.1	132.4	-5.3	-150.2	166.7	-137.8	-156.2	3	113.6
151	R	31.3	Very low	31.5	Very low	226 Å²	226	134.9 Å²	134.9	85%	0.853	77%	0.767	S	S	*	*			trans	-31.9	142.1	153.2	-73.5	168.5	166.3	163.6	-3.6	115.6
152	N	34.9	Very low	31.2	Very low	154 Å²	154	140.8 Å²	140.8	82%	0.824	77%	0.768	S	S	*	*				-166.4	135.5	121	-85.3	-26	0	0	0	107
153	R	28.4	Very low	31	Very low	227 Å²	227	141.6 Å²	141.6	86%	0.857	76%	0.763	S	S	*	*			cis	78.5	101.6	35.4	-165.2	-165.6	-142.5	-162.7	7.2	113.1
154	I	33.1	Very low	30.7	Very low	167 Å²	167	143.9 Å²	143.9	86%	0.856	76%	0.757	S	S	*	*			trans	-168	152	141.9	-101	152.4	0	0	0	110.2
155	T	28.6	Very low	30.5	Very low	125 Å²	125	146.4 Å²	146.4	77%	0.767	75%	0.752	S	S	*	*			trans	-63.6	-176.7	-175.1	54.2	0	0	0	0	114.3
156	S	30.4	Very low	30.3	Very low	105 Å²	105	147.6 Å²	147.6	73%	0.734	75%	0.747	S	S	*	*			cis	-169.8	168.4	28.1	46.2	0	0	0	0	113.3
157	A	30.7	Very low	30.4	Very low	85 Å²	85	150.2 Å²	150.2	70%	0.702	75%	0.748	S	S	*	*			trans	67.4	132.5	160.2	0	0	0	0	0	116.6
158	S	28.4	Very low	30.2	Very low	112 Å²	112	148.2 Å²	148.2	78%	0.783	74%	0.737	S	S	*	*			cis	71	144	39.4	88.2	0	0	0	0	113.4
159	S	29.5	Very low	30.2	Very low	82 Å²	82	145.9 Å²	145.9	57%	0.573	73%	0.73	S	S	*	*			cis	-168.4	173.6	-16.9	43.6	0	0	0	0	107.5
160	E	28.7	Very low	30.3	Very low	174 Å²	174	147.5 Å²	147.5	81%	0.813	74%	0.735	S	S	*	*			trans	64.6	161.7	160.4	-73.7	145.2	-114.5	0	0	117.5
161	D	27.8	Very low	30.2	Very low	113 Å²	113	144.5 Å²	144.5	60%	0.604	73%	0.728	S	S	*	*			cis	-153.7	167.9	-40.1	-161	3.5	0	0	0	108.5
162	R	27.1	Very low	30.1	Very low	194 Å²	194	140.7 Å²	140.7	73%	0.732	72%	0.72	S	S	*	*			trans	46.7	137.9	146.7	-87.3	166.8	-139.6	-142.4	-2.3	123.8
163	Q	28.1	Very low	29.7	Very low	149 Å²	149	138.8 Å²	138.8	70%	0.696	71%	0.706	S	S	*	*				102.3	104.6	129.5	-85.1	176.8	0.8	0	0	121.9
164	F	26.8	Very low	29.7	Very low	174 Å²	174	137.5 Å²	137.5	76%	0.763	70%	0.701	S	S	*	*				79.7	148	121.5	-93	-127.5	0	0	0	121.9
165	N	29.7	Very low	29.6	Very low	127 Å²	127	136 Å²	136	68%	0.679	69%	0.694	S	S	*	*			trans	73.2	140.2	149.7	-76.7	-7	0	0	0	118.6
166	N	30.9	Very low	29.6	Very low	111 Å²	111	138.1 Å²	138.1	59%	0.594	70%	0.701	S	S	*	*			cis	-161.7	-171.2	-10.4	-142.2	-24.9	0	0	0	111.4
167	F	34.8	Very low	29.5	Very low	181 Å²	181	142 Å²	142	79%	0.794	71%	0.705	S	S	*	*			trans	84.6	143.8	164.3	-61.6	-91.9	0	0	0	119
168	N	32.1	Very low	29.4	Very low	104 Å²	104	144.6 Å²	144.6	56%	0.556	71%	0.712	S	S	*	*			cis	-167.2	148.3	-44	-122.5	-18.9	0	0	0	113
169	N	30.8	Very low	29.2	Very low	118 Å²	118	147.1 Å²	147.1	63%	0.631	72%	0.716	S	S	*	*			trans	64.3	141.1	144.4	-68	-24.5	0	0	0	123.2
170	N	34.4	Very low	29.2	Very low	143 Å²	143	148.9 Å²	148.9	77%	0.765	73%	0.729	S	S	*	*			trans	79.9	148.7	153.8	-59.1	-29	0	0	0	119.6
171	K	28.2	Very low	29.1	Very low	163 Å²	163	147.9 Å²	147.9	71%	0.709	73%	0.726	S	S	*	*			cis	179	132.2	-40	-131.1	-169.9	165.9	-168.1	0	106.8
172	H	29.8	Very low	29.3	Very low	147 Å²	147	153.2 Å²	153.2	68%	0.681	74%	0.739	S	S	*	*			trans	60.4	163.8	173.7	-68.5	-91.7	0	0	0	113.9
173	E	26.5	Very low	29.3	Very low	114 Å²	114	153.1 Å²	153.1	53%	0.533	75%	0.747	S	S	.	*			cis	-174.8	153.1	-26.1	-178.3	-173.4	-73.3	0	0	105.6
174	R	27.7	Very low	29.3	Very low	200 Å²	200	154.7 Å²	154.7	76%	0.755	75%	0.747	S	S	*	*			trans	69.6	149	177.4	-36.8	-175.9	-166.6	-174.5	1.4	113.4
175	D	30.8	Very low	29.6	Very low	134 Å²	134	153 Å²	153	72%	0.717	75%	0.747	S	S	*	*			cis	-140	147.1	3.9	-92.8	-48.7	0	0	0	110.2	K177	D175-K177 PolarHBondContact O-N 2.85Å
176	N	29.6	Very low	29.4	Very low	170 Å²	170	154.5 Å²	154.5	91%	0.909	75%	0.754	S	S	*	*			trans	-79.6	106.8	166.1	-87.8	-15	0	0	0	110
177	K	26.9	Very low	29.3	Very low	186 Å²	186	157 Å²	157	81%	0.809	77%	0.765	S	S	*	*			trans	-136.2	84	167.9	-78.7	-170	175.7	179.6	0	111.6	D175	D175-K177 PolarHBondContact O-N 2.85Å
178	T	28.5	Very low	28.9	Very low	140 Å²	140	155.3 Å²	155.3	86%	0.859	76%	0.762	S	S	*	*			trans	-131.2	124.9	165.3	-42.5	0	0	0	0	108.5
179	L	25.2	Very low	28.6	Very low	166 Å²	166	158.3 Å²	158.3	87%	0.869	78%	0.775	S	S	*	*			trans	-70.5	140.6	-167.3	-61.9	78.4	0	0	0	112.5
180	S	28.9	Very low	28.3	Very low	119 Å²	119	157.1 Å²	157.1	83%	0.832	78%	0.776	S	S	*	*			trans	-133.5	116.7	154.4	54.3	0	0	0	0	107.7
181	M	25.8	Very low	27.9	Very low	153 Å²	153	162.2 Å²	162.2	75%	0.754	78%	0.784	S	S	*	*			trans	-73	138.7	177.4	-62.5	177.6	-66.6	0	0	109.8
182	Y	32.1	Very low	27.8	Very low	224 Å²	224	163.3 Å²	163.3	88%	0.878	79%	0.792	S	S	*	*				175.6	84	120.7	-84.7	-55.8	0	0	0	108.7
183	E	28.6	Very low	27.7	Very low	192 Å²	192	161.4 Å²	161.4	90%	0.897	80%	0.796	S	S	*	*			trans	-91	137.8	165.9	-69.8	-177.5	120.9	0	0	109.6
184	Y	27.7	Very low	27.7	Very low	182 Å²	182	164 Å²	164	71%	0.714	81%	0.808	S	S	*	*			trans	46	125.9	155.8	-100.8	-107.1	0	0	0	119.8
185	N	33.1	Very low	27.6	Very low	140 Å²	140	160.2 Å²	160.2	75%	0.749	81%	0.809	S	S	*	*				-175.5	122.6	94.6	-93.1	-62.8	0	0	0	112	M187	N185-M187 PolarHBondContact O-N 3.12Å
186	D	25.5	Very low	27.5	Very low	157 Å²	157	160.7 Å²	160.7	84%	0.84	81%	0.81	S	S	*	*			trans	-71.2	103.9	150.3	-86.5	-57.3	0	0	0	108.6
187	M	29	Very low	27.4	Very low	164 Å²	164	158.1 Å²	158.1	81%	0.808	80%	0.801	S	S	*	*			trans	-161.4	109.8	155.8	-116.5	175	68.1	0	0	114.5	N185	N185-M187 PolarHBondContact O-N 3.12Å
188	I	25.6	Very low	27.4	Very low	146 Å²	146	159.2 Å²	159.2	75%	0.749	80%	0.801	S	S	*	*			trans	6.8	134.4	134.6	-66.5	170.2	0	0	0	117.3
189	M	26	Very low	27.3	Very low	166 Å²	166	158.3 Å²	158.3	82%	0.818	79%	0.787	S	S	*	*			trans	82.5	97.9	165.4	-66.5	-93.1	175.1	0	0	119.4
190	S	24	Very low	27.5	Very low	93 Å²	93	158.6 Å²	158.6	65%	0.65	78%	0.784	S	S	*	*			trans	39.1	117.3	131.4	65.1	0	0	0	0	121
191	R	27.6	Very low	27.3	Very low	250 Å²	250	161.1 Å²	161.1	94%	0.943	78%	0.78	S	S	*	*			trans	-167.4	168.3	134.6	-106.5	150.1	-166.7	-97	-0.7	113.1
192	Q	25.3	Very low	27.4	Very low	186 Å²	186	159 Å²	159	87%	0.869	78%	0.78	S	S	*	*			trans	-96.5	130.7	-175.2	-55.5	152.1	-75.8	0	0	111.2
193	S	26.7	Very low	27.2	Very low	108 Å²	108	152.9 Å²	152.9	76%	0.755	77%	0.77	S	S	*	*			trans	160.5	145.2	165.2	51.7	0	0	0	0	107.8
194	E	26.4	Very low	27.1	Very low	169 Å²	169	150.1 Å²	150.1	79%	0.79	77%	0.766	S	S	*	*			cis	-157.9	161.2	-8.7	-109.1	177.2	-159.5	0	0	106.1	I196	E194-I196 PolarHBondContact O-N 3Å; E194-I196 VanDerWaalsContact O-N 3.15Å
195	P	26.5	Very low	27.2	Very low	120 Å²	120	148.7 Å²	148.7	78%	0.779	77%	0.77	S	S	*	*			trans	-71	110.1	-179.3	28.5	-33.6	0	0	0	112	T197	P195-T197 PolarHBondContact O-N 2.85Å; P195-T197 VanDerWaalsContact O-N 3.16Å
196	I	28.7	Very low	26.8	Very low	144 Å²	144	151.8 Å²	151.8	74%	0.738	78%	0.777	S	S	*	*			trans	-78.6	99.7	179	-59.3	179.1	0	0	0	110.3	E194 Y198	E194-I196 PolarHBondContact O-N 3Å; E194-I196 VanDerWaalsContact O-N 3.15Å; I196-Y198 HydrophobicContact CG2-CD2 4.24Å; I196-Y198 HydrophobicContact CG2-CE2 4.18Å; I196-Y198 PolarHBondContact O-N 2.8Å; I196-Y198 VanDerWaalsContact O-N 3.09Å
197	T	27.2	Very low	27	Very low	116 Å²	116	149.2 Å²	149.2	71%	0.712	77%	0.772	S	S	*	*			trans	-67.1	103	174.3	-51.3	0	0	0	0	111.6	P195 Q199	P195-T197 PolarHBondContact O-N 2.85Å; P195-T197 VanDerWaalsContact O-N 3.16Å; T197-Q199 PolarHBondContact O-N 3.4Å
198	Y	27.9	Very low	26.9	Very low	208 Å²	208	149.4 Å²	149.4	82%	0.816	78%	0.776	S	S	*	*			trans	-71.6	92.5	174.4	-94.7	-95.6	0	0	0	112	I196 Q200	I196-Y198 HydrophobicContact CG2-CD2 4.24Å; I196-Y198 HydrophobicContact CG2-CE2 4.18Å; I196-Y198 PolarHBondContact O-N 2.8Å; I196-Y198 VanDerWaalsContact O-N 3.09Å; Y198-Q200 PolarHBondContact O-N 3.49Å
199	Q	25.7	Very low	27.2	Very low	122 Å²	122	149.4 Å²	149.4	57%	0.57	78%	0.783	S	S	*	*			trans	-68.6	99.6	164.6	-81.5	-158.8	-18.3	0	0	110.7	T197 K201	T197-Q199 PolarHBondContact O-N 3.4Å; Q199-K201 VanDerWaalsContact C-N 3.28Å; Q199-K201 PolarHBondContact O-N 3.38Å
200	Q	28.3	Very low	27.2	Very low	172 Å²	172	147.2 Å²	147.2	80%	0.804	78%	0.784	S	S	*	*			trans	-71.6	78.1	174.7	-165.7	-178.3	32	0	0	111.4	Y198 S202	Y198-Q200 PolarHBondContact O-N 3.49Å; Q200-S202 PolarHBondContact O-N 3.49Å
201	K	26.6	Very low	27.5	Very low	171 Å²	171	148.5 Å²	148.5	74%	0.743	79%	0.793	S	S	*	*			trans	-67	104	173.7	-77.6	-179.8	178	169.7	0	110.7	Q199 S203	Q199-K201 VanDerWaalsContact C-N 3.28Å; Q199-K201 PolarHBondContact O-N 3.38Å; K201-S203 PolarHBondContact O-N 3.42Å
202	S	26.8	Very low	27.4	Very low	108 Å²	108	147 Å²	147	76%	0.755	79%	0.787	S	S	*	*			trans	-69	88.9	175.3	50.4	0	0	0	0	111.9	Q200 T204	Q200-S202 PolarHBondContact O-N 3.49Å; S202-T204 PolarHBondContact O-N 2.97Å; S202-T204 VanDerWaalsContact O-N 3.09Å
203	S	28.5	Very low	27.6	Very low	96 Å²	96	147.6 Å²	147.6	67%	0.671	78%	0.783	S	S	*	*			trans	-75.2	94.1	173.4	49.4	0	0	0	0	111.1	K201 L205	K201-S203 PolarHBondContact O-N 3.42Å; S203-L205 VanDerWaalsContact C-N 3.29Å; S203-L205 PolarHBondContact O-N 2.99Å
204	T	26.2	Very low	27.7	Very low	134 Å²	134	151.8 Å²	151.8	82%	0.822	78%	0.784	S	S	*	*			trans	-67.8	82.9	172.7	52.5	0	0	0	0	111.5	S202 K206	S202-T204 PolarHBondContact O-N 2.97Å; S202-T204 VanDerWaalsContact O-N 3.09Å; T204-K206 PolarHBondContact O-N 3.43Å
205	L	28.9	Very low	27.6	Very low	152 Å²	152	152 Å²	152	80%	0.796	79%	0.785	S	S	*	*			trans	-82.5	112.7	175.5	-89.5	164.7	0	0	0	111.2	S203	S203-L205 VanDerWaalsContact C-N 3.29Å; S203-L205 PolarHBondContact O-N 2.99Å
206	K	24.6	Very low	27.5	Very low	205 Å²	205	150.9 Å²	150.9	89%	0.891	79%	0.786	S	S	*	*			trans	-80.4	113.4	167.4	-66.9	176.2	178.9	175.6	0	109.4	T204	T204-K206 PolarHBondContact O-N 3.43Å
207	S	31.2	Very low	27.4	Very low	104 Å²	104	148.6 Å²	148.6	73%	0.727	78%	0.782	S	S	*	*			trans	-118	101.5	170.1	56	0	0	0	0	111
208	N	25.3	Very low	27.2	Very low	167 Å²	167	149.6 Å²	149.6	89%	0.893	79%	0.789	S	S	*	*			trans	-79.2	114	167.8	-78.8	-19.4	0	0	0	109.9
209	T	33	Very low	27.2	Very low	146 Å²	146	142.9 Å²	142.9	90%	0.896	78%	0.783	S	S	*	*			trans	-154.8	149.3	155.4	6.3	0	0	0	0	109.1
210	S	25.5	Very low	27.4	Very low	120 Å²	120	143.5 Å²	143.5	84%	0.839	80%	0.798	S	S	*	*			trans	-124.7	135.2	-171.1	61.2	0	0	0	0	113.4
211	S	31	Very low	27.5	Very low	121 Å²	121	139.2 Å²	139.2	85%	0.846	79%	0.787	S	S	*	*			trans	-137.1	128.4	152.3	54.9	0	0	0	0	108.1
212	R	24.8	Very low	27.4	Very low	218 Å²	218	134.5 Å²	134.5	82%	0.823	79%	0.787	S	S	*	*			trans	-84.8	148.2	174.5	-60.2	173.6	-178.8	162.8	-0.6	108.3
213	Y	29.3	Very low	27.4	Very low	198 Å²	198	137.4 Å²	137.4	78%	0.776	78%	0.782	S	S	*	*				-176	155.1	105.6	-99	-68.1	0	0	0	112.2
214	Y	29	Very low	27.1	Very low	196 Å²	196	137 Å²	137	77%	0.769	78%	0.776	S	S	*	*			trans	63	71	171.4	-69.4	-69.3	0	0	0	120.2
215	E	23.7	Very low	27	Very low	173 Å²	173	135.1 Å²	135.1	81%	0.808	76%	0.764	S	S	*	*				32.4	136.9	118.8	-60.3	-173.5	126.8	0	0	123.1
216	A	24.4	Very low	26.7	Very low	98 Å²	98	134.4 Å²	134.4	81%	0.81	76%	0.755	S	S	*	*			trans	69.8	102.3	147.5	0	0	0	0	0	118.4
217	S	26.5	Very low	26.8	Very low	95 Å²	95	131.5 Å²	131.5	66%	0.664	74%	0.738	S	S	*	*				-158.8	172.1	66.2	42.4	0	0	0	0	113.6
218	T	24.8	Very low	26.4	Very low	137 Å²	137	136.1 Å²	136.1	84%	0.84	74%	0.74	S	S	*	*			trans	-115.6	133.7	-169.4	50.7	0	0	0	0	112.5
219	G	27.7	Very low	26.4	Very low	68 Å²	68	132.6 Å²	132.6	70%	0.701	73%	0.728	S	S	*	*			trans	-166.4	114.6	171.2	0	0	0	0	0	113.4
220	P	30	Very low	26.1	Very low	135 Å²	135	129.9 Å²	129.9	88%	0.877	72%	0.721	S	S	*	*			trans	-99	113.7	176.8	34.2	-28.6	0	0	0	112.5
221	S	29.3	Very low	26.4	Very low	82 Å²	82	128.3 Å²	128.3	57%	0.573	70%	0.697	S	S	*	*			trans	-154.8	148.1	160.3	55.1	0	0	0	0	109.1	Y223	S221-Y223 WeakPolarHBondContact OG-CE2 3.33Å
222	G	24.9	Very low	26.2	Very low	72 Å²	72	130 Å²	130	74%	0.742	70%	0.696	S	S	*	*			cis	112.6	26.6	13.4	0	0	0	0	0	113.1	T224	G222-T224 PolarHBondContact O-N 3.07Å
223	Y	26.3	Very low	26.4	Very low	168 Å²	168	122.6 Å²	122.6	66%	0.659	69%	0.688	S	S	*	*			trans	-87.7	80.7	-166.5	-76.4	-81.5	0	0	0	113.9	S221 V225	S221-Y223 WeakPolarHBondContact OG-CE2 3.33Å; Y223-V225 HydrophobicContact CD1-CG2 4.38Å; Y223-V225 PolarHBondContact O-N 3.04Å
224	T	22.4	Very low	26.2	Very low	89 Å²	89	122.3 Å²	122.3	55%	0.546	69%	0.694	S	S	.	*			trans	-81.8	87.6	162.3	-44.8	0	0	0	0	110.2	G222 F226	G222-T224 PolarHBondContact O-N 3.07Å; T224-F226 HydrophobicContact CG2-CD2 3.97Å; T224-F226 HydrophobicContact CG2-CE2 3.59Å; T224-F226 PolarHBondContact O-N 2.94Å
225	V	24.4	Very low	26.3	Very low	94 Å²	94	120.7 Å²	120.7	57%	0.57	70%	0.698	S	S	*	*			trans	-84.7	108.1	-175.6	178.8	0	0	0	0	111.5	Y223 W227	Y223-V225 HydrophobicContact CD1-CG2 4.38Å; Y223-V225 PolarHBondContact O-N 3.04Å; V225-W227 HydrophobicContact CG1-CG 4.21Å
226	F	22.4	Very low	26.4	Very low	137 Å²	137	119.7 Å²	119.7	60%	0.601	70%	0.698	S	S	*	*			trans	-101.3	89.6	171.7	-80.2	-88.4	0	0	0	111.4	T224	T224-F226 HydrophobicContact CG2-CD2 3.97Å; T224-F226 HydrophobicContact CG2-CE2 3.59Å; T224-F226 PolarHBondContact O-N 2.94Å
227	W	26.5	Very low	26.7	Very low	144 Å²	144	121.5 Å²	121.5	55%	0.545	69%	0.694	S	S	.	*			trans	-104.3	107.8	158.5	-59.5	116.6	0	0	0	107.2	E21 V225	E21-W227 HydrophobicContact CG-CH2 4.13Å; E21-W227 HydrophobicContact CG-CZ2 3.97Å; V225-W227 HydrophobicContact CG1-CG 4.21Å
228	R	23.3	Very low	26.8	Very low	201 Å²	201	123 Å²	123	76%	0.758	69%	0.693	S	S	*	*				61.8	90.3	66.1	-148.9	179.1	-166.9	-178.8	1.7	110.6	A230	R228-A230 PolarHBondContact O-N 3.34Å
229	S	24.6	Very low	27.1	Very low	93 Å²	93	127.3 Å²	127.3	65%	0.65	70%	0.696	S	S	*	*			trans	-56.6	116.7	159.2	172.4	0	0	0	0	107.6	Y231	S229-Y231 VanDerWaalsContact C-N 3.32Å; S229-Y231 PolarHBondContact O-N 3.34Å
230	A	27.6	Very low	27	Very low	89 Å²	89	135.1 Å²	135.1	74%	0.736	70%	0.704	S	S	*	*			trans	-82.5	78.9	-175.1	0	0	0	0	0	110.4	R228	R228-A230 PolarHBondContact O-N 3.34Å
231	Y	30.7	Very low	26.8	Very low	86 Å²	86	136.6 Å²	136.6	34%	0.337	70%	0.701	S	S	.	*			trans	-74.5	136.5	150.9	-94.1	-69.4	0	0	0	109.4	S229 G233 R510 E531	S229-Y231 VanDerWaalsContact C-N 3.32Å; S229-Y231 PolarHBondContact O-N 3.34Å; Y231-G233 PolarHBondContact O-N 3.34Å; Y231-R510 WeakPolarHBondContact OH-CD 3.44Å; Y231-E531 HydrophobicContact CE2-CB 4.19Å; Y231-E531 HydrophobicContact CE2-CG 4.5Å; Y231-E531 VanDerWaalsContact CE2-OE2 3.27Å; Y231-E531 WeakPolarHBondContact CE2-OE2 3.46Å; Y231-E531 WeakPolarHBondContact OH-CB 3.08Å; Y231-E531 PolarHBondContact OH-OE2 3.26Å
232	D	26.8	Very low	26.9	Very low	157 Å²	157	140.8 Å²	140.8	84%	0.84	72%	0.717	S	S	*	*			trans	-56.9	131.4	171.4	-62.1	-61.3	0	0	0	110.3
233	G	29.2	Very low	27	Very low	63 Å²	63	145.6 Å²	145.6	65%	0.649	72%	0.72	S	S	*	*			trans	171.7	109	179.7	0	0	0	0	0	112.7	Y231	Y231-G233 PolarHBondContact O-N 3.34Å
234	E	26.3	Very low	27.1	Very low	191 Å²	191	144 Å²	144	89%	0.893	73%	0.732	S	S	*	*			trans	-59.6	143.7	174	-58.1	172.1	123.7	0	0	111.5
235	L	30.9	Very low	27.3	Very low	163 Å²	163	149 Å²	149	85%	0.853	75%	0.749	S	S	*	*			trans	176.6	106	134.4	-98.1	159.5	0	0	0	110.3
236	D	25.2	Very low	27.5	Very low	151 Å²	151	149.9 Å²	149.9	81%	0.807	76%	0.759	S	S	*	*			trans	-68.1	137.1	150.5	-88.4	-53.7	0	0	0	108.9
237	D	31.5	Very low	28.1	Very low	136 Å²	136	148.9 Å²	148.9	73%	0.727	77%	0.766	S	S	*	*				-167.9	131.2	125	-113.6	-19.2	0	0	0	113.7
238	I	28.2	Very low	28.3	Very low	126 Å²	126	148.1 Å²	148.1	65%	0.646	78%	0.78	S	S	*	*			trans	40.6	114.9	142.4	-58	160.4	0	0	0	118.5
239	Y	31.5	Very low	28.6	Very low	229 Å²	229	142.1 Å²	142.1	90%	0.898	78%	0.781	S	S	*	*				-156.6	142	109.1	-114.4	-76.6	0	0	0	112.2
240	R	25.8	Very low	28.9	Very low	231 Å²	231	146.5 Å²	146.5	87%	0.872	79%	0.791	S	S	*	*			trans	-104.2	145.2	179.7	-98.3	-177.3	173	169.1	-1.6	112.4
241	M	25.7	Very low	28.9	Very low	167 Å²	167	151 Å²	151	82%	0.823	80%	0.797	S	S	*	*			trans	-3.4	140.2	157.3	-67.7	169.4	165.9	0	0	119
242	N	30.6	Very low	29	Very low	169 Å²	169	155 Å²	155	90%	0.904	82%	0.818	S	S	*	*				-144.4	148.4	124.6	-105.6	-38.8	0	0	0	111.2
243	H	26.5	Very low	29.1	Very low	174 Å²	174	152.9 Å²	152.9	81%	0.806	82%	0.816	S	S	*	*			trans	-78.2	146.6	178.2	-72.9	-73.5	0	0	0	112.2
244	C	28.6	Very low	29.2	Very low	134 Å²	134	155.8 Å²	155.8	91%	0.905	82%	0.821	S	S	*	*			trans	-133.9	145.9	146	-95.2	0	0	0	0	109.6
245	Q	27.3	Very low	29.2	Very low	193 Å²	193	151.9 Å²	151.9	90%	0.902	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-96.4	142.1	-175.1	-66.4	169.9	-25.8	0	0	111
246	S	28.2	Very low	29.3	Very low	113 Å²	113	150.3 Å²	150.3	79%	0.79	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-88.5	124.6	175	54.4	0	0	0	0	112.1
247	P	35.6	Very low	29.4	Very low	116 Å²	116	148.7 Å²	148.7	75%	0.753	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-79.1	148.9	168.2	33	-33.6	0	0	0	111.5
248	P	30.8	Very low	29.7	Very low	129 Å²	129	147.9 Å²	147.9	84%	0.838	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-91.2	124.3	-175.6	33.5	-33.2	0	0	0	114
249	G	30	Very low	29.8	Very low	75 Å²	75	146.9 Å²	146.9	77%	0.773	82%	0.821	S	S	*	*			trans	71.9	127.1	140.5	0	0	0	0	0	120.3
250	Q	31	Very low	29.9	Very low	185 Å²	185	146.3 Å²	146.3	86%	0.864	82%	0.824	S	S	*	*				-153.1	138.7	128.6	-116	172.5	12.1	0	0	110.9
251	Q	27.1	Very low	30	Very low	184 Å²	184	146.2 Å²	146.2	86%	0.86	82%	0.823	S	S	*	*			trans	-89	139.4	171.8	-68.6	173.5	-31.1	0	0	109.4
252	H	32.5	Very low	30.4	Very low	168 Å²	168	148.1 Å²	148.1	78%	0.778	83%	0.827	S	S	*	*			trans	-132.1	92.4	159.7	-99.1	-76.3	0	0	0	110.4
253	S	28.4	Very low	30.5	Very low	113 Å²	113	146.8 Å²	146.8	79%	0.79	82%	0.82	S	S	*	*			trans	-74.4	126.2	163.4	53.2	0	0	0	0	109.8
254	V	31.4	Very low	30.9	Very low	125 Å²	125	147.3 Å²	147.3	76%	0.758	82%	0.822	S	S	*	*			trans	-113.3	101.7	166.4	-178	0	0	0	0	108.3	V256	V254-V256 HydrophobicContact CG1-CG2 4.39Å
255	S	27.4	Very low	31.1	Very low	108 Å²	108	147.8 Å²	147.8	76%	0.755	82%	0.821	S	S	*	*			trans	-89.2	122.5	172.7	55	0	0	0	0	110.4
256	V	32.6	Very low	31.6	Very low	131 Å²	131	145 Å²	145	79%	0.794	82%	0.817	S	S	*	*			trans	-114.9	97.7	165.6	-177.8	0	0	0	0	108.4	V254	V254-V256 HydrophobicContact CG1-CG2 4.39Å
257	S	27.4	Very low	32.3	Very low	116 Å²	116	143.3 Å²	143.3	81%	0.811	81%	0.81	S	S	*	*			trans	-92.5	121.2	171.5	56.3	0	0	0	0	110.2
258	S	36.7	Very low	33	Very low	119 Å²	119	143.3 Å²	143.3	83%	0.832	81%	0.81	S	S	*	*			trans	-133.8	131.1	158.4	61.5	0	0	0	0	109.8
259	S	30.4	Very low	33.9	Very low	105 Å²	105	142.7 Å²	142.7	73%	0.734	81%	0.806	S	S	*	*			trans	-103.2	138.1	-172.1	57.2	0	0	0	0	111.3
260	F	33.9	Very low	35	Very low	217 Å²	217	144.5 Å²	144.5	95%	0.952	80%	0.804	S	S	*	*			trans	-142.7	128.3	148	-104.9	-74.5	0	0	0	112
261	R	28.5	Very low	36.2	Very low	230 Å²	230	141.1 Å²	141.1	87%	0.868	80%	0.798	S	S	*	*			trans	-84.5	143.1	169.4	-67.2	176.5	173.6	176.5	-3.4	109.7
262	K	34.4	Very low	37.7	Very low	207 Å²	207	137.8 Å²	137.8	90%	0.9	79%	0.793	S	S	*	*			trans	-157.9	149	133	-112.8	169.2	-174.6	-179.6	0	110.8
263	N	30.8	Very low	38.8	Very low	140 Å²	140	135.2 Å²	135.2	75%	0.749	79%	0.791	S	S	*	*			trans	-87.3	138.1	-171.1	-53.7	-13.5	0	0	0	110.5
264	H	36.9	Very low	40.1	Very low	185 Å²	185	135.2 Å²	135.2	86%	0.856	79%	0.788	S	S	*	*			trans	-139.9	119.5	144	-92	-79	0	0	0	108.9	V266	H264-V266 PolarHBondContact O-N 3.44Å
265	T	31.5	Very low	41.2	Very low	144 Å²	144	134.8 Å²	134.8	88%	0.883	79%	0.788	S	S	*	*			trans	-76.1	104.5	171	44.3	0	0	0	0	108.9
266	V	38.3	Very low	42.3	Very low	134 Å²	134	135.2 Å²	135.2	81%	0.812	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-89	123.7	170	-177	0	0	0	0	107.7	H264	H264-V266 PolarHBondContact O-N 3.44Å
267	A	43.1	Very low	42.6	Very low	79 Å²	79	134 Å²	134	65%	0.653	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-68.4	151.7	174.2	0	0	0	0	0	110.3
268	P	50.7	Low	43.3	Very low	115 Å²	115	136.2 Å²	136.2	75%	0.747	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-58.7	147.9	170.8	27.3	-35	0	0	0	110.2
269	P	50	Low	43.5	Very low	117 Å²	117	134.9 Å²	134.9	76%	0.76	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-60.3	146.8	173.6	27.5	-34.5	0	0	0	110.2
270	P	53	Low	43.6	Very low	112 Å²	112	136.6 Å²	136.6	73%	0.727	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-62.7	150.9	172.7	28.9	-34.8	0	0	0	110.2
271	P	55.7	Low	43.6	Very low	115 Å²	115	130.9 Å²	130.9	75%	0.747	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-59.6	150.6	171.5	27.7	-34.9	0	0	0	110.4
272	P	58.1	Low	43.7	Very low	114 Å²	114	125 Å²	125	74%	0.74	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-59.3	147	174.7	26.6	-34.4	0	0	0	110.5
273	P	56.5	Low	43.7	Very low	113 Å²	113	123.4 Å²	123.4	73%	0.734	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-62.6	145.9	174	28.4	-34.5	0	0	0	109.9
274	P	54.7	Low	43.7	Very low	114 Å²	114	122.7 Å²	122.7	74%	0.74	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-60.6	144.4	176.1	26.8	-34.6	0	0	0	110.3
275	P	54.5	Low	43.6	Very low	115 Å²	115	121 Å²	121	75%	0.747	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-59.8	144.8	176.5	25.5	-33.9	0	0	0	110.5	A277	P275-A277 PolarHBondContact O-N 2.78Å
276	P	50.4	Low	43.8	Very low	117 Å²	117	119.2 Å²	119.2	76%	0.76	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-62	135.8	-178.7	26.3	-34.3	0	0	0	110.8	L278	P276-L278 PolarHBondContact O-N 2.99Å
277	A	39.4	Very low	44	Very low	107 Å²	107	119.3 Å²	119.3	88%	0.884	77%	0.767	S	S	*	*			trans	-62.3	107.6	-176.3	0	0	0	0	0	111.7	P275	P275-A277 PolarHBondContact O-N 2.78Å
278	L	41.8	Very low	43.7	Very low	161 Å²	161	122.3 Å²	122.3	84%	0.843	77%	0.772	S	S	*	*			trans	-72.1	145.7	173	-74.6	168.3	0	0	0	111	P276	P276-L278 PolarHBondContact O-N 2.99Å
279	P	40.7	Very low	42.9	Very low	92 Å²	92	124.1 Å²	124.1	60%	0.597	78%	0.775	S	S	*	*			trans	-73.6	157.3	-174.3	30.4	-36	0	0	0	113.2	S281	P279-S281 PolarHBondContact O-N 2.88Å
280	P	33.3	Very low	42.1	Very low	141 Å²	141	124.5 Å²	124.5	92%	0.916	77%	0.774	S	S	*	*	S	Bend	trans	-78.9	77.7	-174.3	32.8	-36.7	0	0	0	113.1
281	S	33.7	Very low	41.2	Very low	96 Å²	96	129.9 Å²	129.9	67%	0.671	78%	0.78	S	S	*	*			trans	-164.7	138.2	174.9	50.8	0	0	0	0	110.4	P279	P279-S281 PolarHBondContact O-N 2.88Å
282	S	30.3	Very low	40.2	Very low	106 Å²	106	136.4 Å²	136.4	74%	0.741	79%	0.79	S	S	*	*			cis	-157.3	132.3	1.5	49.7	0	0	0	0	110.7
283	L	34.1	Very low	39	Very low	174 Å²	174	134.8 Å²	134.8	91%	0.911	79%	0.794	S	S	*	*			trans	-69.9	133	171.3	-83.4	164.7	0	0	0	110.9	I285	L283-I285 PolarHBondContact O-N 2.92Å; L283-I285 VanDerWaalsContact O-N 3.12Å
284	C	31.6	Very low	37.8	Very low	125 Å²	125	140 Å²	140	85%	0.845	80%	0.799	S	S	*	*			trans	-74.5	100.6	-177.2	-69	0	0	0	0	112
285	I	34.1	Very low	36.6	Very low	150 Å²	150	142.3 Å²	142.3	77%	0.769	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-75.2	130.4	166.1	-58	173.4	0	0	0	108.4	L283	L283-I285 PolarHBondContact O-N 2.92Å; L283-I285 VanDerWaalsContact O-N 3.12Å
286	P	35.6	Very low	35.6	Very low	106 Å²	106	143.1 Å²	143.1	69%	0.688	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-65.1	135.7	174.9	26.6	-33.7	0	0	0	110.7	N288	P286-N288 PolarHBondContact O-N 2.89Å
287	P	42.7	Very low	34.7	Very low	137 Å²	137	143.5 Å²	143.5	89%	0.89	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-70.3	118	-169.3	27	-34.7	0	0	0	112.2
288	N	36.6	Very low	34.2	Very low	141 Å²	141	141.8 Å²	141.8	75%	0.754	81%	0.807	S	S	*	*			trans	-106.5	127.4	-176.8	-138	-25.9	0	0	0	110.5	P286	P286-N288 PolarHBondContact O-N 2.89Å
289	L	33.5	Very low	33.8	Very low	153 Å²	153	140.6 Å²	140.6	80%	0.801	81%	0.809	S	S	*	*			trans	55.6	132.6	160.9	-69.5	152.2	0	0	0	119.9
290	V	35.1	Very low	33.5	Very low	125 Å²	125	141.2 Å²	141.2	76%	0.758	82%	0.815	S	S	*	*				179.8	131.9	117.1	143.9	0	0	0	0	114.3
291	R	33.4	Very low	33.3	Very low	225 Å²	225	140.1 Å²	140.1	85%	0.849	81%	0.811	S	S	*	*			trans	61	97.1	157.7	-73.2	168.2	-168.9	-164.9	1.5	122.5
292	R	34.2	Very low	33.1	Very low	252 Å²	252	140.7 Å²	140.7	95%	0.951	82%	0.815	S	S	*	*				43.9	114.6	118.9	-65.9	-177.6	174.1	-172.8	-1.8	120.1
293	G	33.4	Very low	33.1	Very low	81 Å²	81	139.6 Å²	139.6	84%	0.835	81%	0.812	S	S	*	*			trans	-165.3	84.9	163.2	0	0	0	0	0	115.5
294	R	31	Very low	32.8	Very low	221 Å²	221	141.9 Å²	141.9	83%	0.834	81%	0.81	S	S	*	*			trans	7.2	126	171	-83	-174.8	170.5	-174	-1.6	121.7
295	Q	29.7	Very low	32.6	Very low	163 Å²	163	145.7 Å²	145.7	76%	0.762	81%	0.809	S	S	*	*				59.9	100.6	128.9	-61.6	173.4	-44.6	0	0	120.9
296	S	33.3	Very low	32.3	Very low	132 Å²	132	145 Å²	145	92%	0.923	82%	0.815	S	S	*	*				-164.6	165.5	117.4	57.9	0	0	0	0	110.3
297	S	31.3	Very low	31.8	Very low	125 Å²	125	143.8 Å²	143.8	87%	0.874	81%	0.814	S	S	*	*			trans	-116.1	136.1	-164.3	54.9	0	0	0	0	114.3
298	G	29.3	Very low	31.2	Very low	71 Å²	71	143.7 Å²	143.7	73%	0.732	81%	0.812	S	S	*	*			trans	176.1	114.5	166.6	0	0	0	0	0	113.3
299	P	32.3	Very low	30.8	Very low	136 Å²	136	145 Å²	145	88%	0.883	82%	0.818	S	S	*	*			trans	-95.5	141.9	173.1	35.2	-30.8	0	0	0	111.9
300	S	34.3	Very low	30.7	Very low	105 Å²	105	142.8 Å²	142.8	73%	0.734	82%	0.816	S	S	*	*			trans	-153.7	127.9	178.8	58.5	0	0	0	0	113.6
301	S	30.6	Very low	30.5	Very low	118 Å²	118	144.5 Å²	144.5	83%	0.825	82%	0.821	S	S	*	*			trans	54.5	132.5	161.8	55.3	0	0	0	0	119.1
302	S	29.7	Very low	30.3	Very low	108 Å²	108	141.6 Å²	141.6	76%	0.755	82%	0.822	S	S	*	*			cis	-153.9	121.8	-0.7	50.3	0	0	0	0	111.2
303	A	29.5	Very low	30	Very low	83 Å²	83	141 Å²	141	69%	0.686	82%	0.82	S	S	*	*			trans	-113.3	128.4	164.5	0	0	0	0	0	108.4	Y305	A303-Y305 VanDerWaalsContact C-N 3.32Å; A303-Y305 HydrophobicContact CB-CD2 4.42Å; A303-Y305 PolarHBondContact O-N 2.83Å
304	Y	27.9	Very low	29.7	Very low	222 Å²	222	141.9 Å²	141.9	87%	0.871	81%	0.813	S	S	*	*			trans	-82.1	79.8	173.9	-86.2	-76.6	0	0	0	110.5
305	Y	26.4	Very low	29.7	Very low	206 Å²	206	137.9 Å²	137.9	81%	0.808	81%	0.813	S	S	*	*			trans	-77.3	124.1	156.2	-89.6	-89.9	0	0	0	109.3	A303	A303-Y305 VanDerWaalsContact C-N 3.32Å; A303-Y305 HydrophobicContact CB-CD2 4.42Å; A303-Y305 PolarHBondContact O-N 2.83Å
306	C	28.2	Very low	29.6	Very low	135 Å²	135	134.4 Å²	134.4	91%	0.912	80%	0.797	S	S	*	*			trans	-121.1	84.1	153.6	-93.9	0	0	0	0	108
307	A	26.6	Very low	29.4	Very low	80 Å²	80	136 Å²	136	66%	0.661	79%	0.794	S	S	*	*			trans	-102.9	120.4	169.2	0	0	0	0	0	109
308	T	30	Very low	29.2	Very low	136 Å²	136	136.2 Å²	136.2	83%	0.834	79%	0.79	S	S	*	*			trans	-148.1	113.2	162	48.3	0	0	0	0	109
309	D	28.3	Very low	29.1	Very low	167 Å²	167	138 Å²	138	89%	0.893	79%	0.792	S	S	*	*			trans	-61.2	143.3	160.4	-66.5	-69.3	0	0	0	110.7
310	S	31.2	Very low	28.8	Very low	108 Å²	108	138.6 Å²	138.6	76%	0.755	79%	0.793	S	S	*	*			trans	-164.6	107.1	147.2	61.2	0	0	0	0	112.2
311	D	29.4	Very low	28.5	Very low	161 Å²	161	138.7 Å²	138.7	86%	0.861	79%	0.794	S	S	*	*			trans	47	99.5	153.9	-62.3	-17.1	0	0	0	120.1	R313	D311-R313 PolarHBondContact O-N 2.96Å
312	D	29.4	Very low	28.3	Very low	164 Å²	164	145 Å²	145	88%	0.877	80%	0.799	S	S	*	*			trans	-55.5	117.3	145.9	-94	-54.9	0	0	0	111.1
313	R	28.2	Very low	28.2	Very low	239 Å²	239	144.9 Å²	144.9	90%	0.902	80%	0.798	S	S	*	*			trans	-145.3	111.7	147.6	-73.7	-154.6	172.5	-174.3	-2.7	112.5	D311	D311-R313 PolarHBondContact O-N 2.96Å
314	S	27.7	Very low	28.2	Very low	100 Å²	100	146.5 Å²	146.5	70%	0.699	80%	0.795	S	S	*	*			trans	-66.2	142.7	168.3	50.5	0	0	0	0	112.3
315	V	30.1	Very low	28.4	Very low	137 Å²	137	139.4 Å²	139.4	83%	0.83	77%	0.769	S	S	*	*			trans	-140.3	120	153.9	-178.4	0	0	0	0	107
316	H	28.9	Very low	28.4	Very low	89 Å²	89	132 Å²	132	41%	0.412	75%	0.747	S	S	.	*			trans	-79.6	148.2	179.2	-96	-95.3	0	0	0	113.1	D360	H316-D360 VanDerWaalsContact CD2-CB 3.42Å; H316-D360 WeakPolarHBondContact CD2-CB 3.46Å; H316-D360 IonicContact CD2-OD1 2.67Å; H316-D360 IonicContact CD2-OD2 2.7Å; H316-D360 PolarHBondContact CD2-OD2 3.47Å; H316-D360 IonicContact CE1-OD1 2.72Å; H316-D360 IonicContact CG-OD1 2.68Å; H316-D360 IonicContact CG-OD2 3.36Å; H316-D360 IonicContact ND1-OD1 3.61Å; H316-D360 WeakPolarHBondContact NE2-CA 3.41Å; H316-D360 WeakPolarHBondContact NE2-CB 3.29Å; H316-D360 VanDerWaalsContact NE2-CG 3.35Å; H316-D360 CovalentContact NE2-O 1.82Å; H316-D360 PolarHBondContact NE2-O 2.88Å; H316-D360 IonicContact NE2-OD1 3.09Å
317	L	28.1	Very low	28.6	Very low	166 Å²	166	129.2 Å²	129.2	87%	0.869	73%	0.726	S	S	*	*			trans	-152.2	101	162.1	-110.6	164.1	0	0	0	109.2	S319	L317-S319 PolarHBondContact O-N 2.84Å
318	T	26.3	Very low	28.8	Very low	129 Å²	129	127.2 Å²	127.2	79%	0.791	71%	0.709	S	S	*	*			trans	-66.7	125.8	179.9	53	0	0	0	0	111.6
319	S	28.8	Very low	28.7	Very low	109 Å²	109	130.8 Å²	130.8	76%	0.762	71%	0.708	S	S	*	*			trans	-141.9	116.9	168.3	-174.9	0	0	0	0	110.3	L317 S321	L317-S319 PolarHBondContact O-N 2.84Å; S319-S321 PolarHBondContact O-N 2.76Å
320	T	26	Very low	28.9	Very low	148 Å²	148	129.8 Å²	129.8	91%	0.908	70%	0.695	S	S	*	*			trans	-86	109.3	-177.1	51.2	0	0	0	0	111.8
321	S	28.1	Very low	28.8	Very low	108 Å²	108	130.7 Å²	130.7	76%	0.755	70%	0.699	S	S	*	*			trans	-134.4	126	167.2	52.4	0	0	0	0	110.8	S319 S323	S319-S321 PolarHBondContact O-N 2.76Å; S321-S323 PolarHBondContact O-N 3.09Å
322	R	25.4	Very low	28.6	Very low	250 Å²	250	127 Å²	127	94%	0.943	70%	0.698	S	S	*	*			trans	-71.5	124.3	-179.1	-62	173.5	179.8	171	-2.2	110
323	S	28.9	Very low	28.5	Very low	105 Å²	105	122.7 Å²	122.7	73%	0.734	69%	0.692	S	S	*	*			trans	-96.5	146.9	168	-169.6	0	0	0	0	110.5	S321	S321-S323 PolarHBondContact O-N 3.09Å
324	L	27.6	Very low	28.4	Very low	117 Å²	117	117.6 Å²	117.6	61%	0.613	69%	0.688	S	S	*	*			trans	-121.8	99.9	-166.4	-80.4	161.5	0	0	0	112.9
325	H	32.6	Very low	28.4	Very low	73 Å²	73	117.4 Å²	117.4	34%	0.338	69%	0.692	S	S	.	*			trans	18.4	113.3	139.9	-144.8	-56.4	0	0	0	119.2	T327 A328	H325-T327 PolarHBondContact CE1-OG1 3.3Å; H325-T327 VanDerWaalsContact ND1-C 3.3Å; H325-T327 PolarHBondContact ND1-N 2.91Å; H325-T327 PolarHBondContact ND1-OG1 3.14Å; H325-A328 HydrophobicContact CB-CB 4.31Å; H325-A328 VanDerWaalsContact CE1-CB 3.45Å; H325-A328 WeakPolarHBondContact CE1-CB 3.32Å; H325-A328 VanDerWaalsContact ND1-CB 3.31Å; H325-A328 WeakPolarHBondContact ND1-CB 3.45Å; H325-A328 PolarHBondContact ND1-N 2.83Å
326	P	27.4	Very low	28.2	Very low	52 Å²	52	117.5 Å²	117.5	34%	0.338	69%	0.687	S	S	.	*	S	Bend	trans	-85.9	-12.8	171.7	31.3	-31.9	0	0	0	115.3	R30	R30-P326 WeakPolarHBondContact CD-O 3.31Å; R30-P326 WeakPolarHBondContact CG-O 3.49Å; R30-P326 PolarHBondContact NE-O 2.96Å; R30-P326 VanDerWaalsContact NE-O 3.15Å
327	T	32.6	Very low	28.2	Very low	75 Å²	75	118.9 Å²	118.9	46%	0.46	71%	0.705	S	S	.	*	S	Bend	trans	-116.9	35.4	-179.2	44.2	0	0	0	0	116	H325	H325-T327 PolarHBondContact CE1-OG1 3.3Å; H325-T327 VanDerWaalsContact ND1-C 3.3Å; H325-T327 PolarHBondContact ND1-N 2.91Å; H325-T327 PolarHBondContact ND1-OG1 3.14Å
328	A	29.7	Very low	28.2	Very low	38 Å²	38	116.8 Å²	116.8	31%	0.314	70%	0.701	S	S	.	*			trans	-140.8	-173.1	178.7	0	0	0	0	0	113.9	R30 H325	R30-A328 PolarHBondContact NH2-O 3.07Å; H325-A328 HydrophobicContact CB-CB 4.31Å; H325-A328 VanDerWaalsContact CE1-CB 3.45Å; H325-A328 WeakPolarHBondContact CE1-CB 3.32Å; H325-A328 VanDerWaalsContact ND1-CB 3.31Å; H325-A328 WeakPolarHBondContact ND1-CB 3.45Å; H325-A328 PolarHBondContact ND1-N 2.83Å
329	W	29.2	Very low	28.6	Very low	212 Å²	212	115.2 Å²	115.2	80%	0.803	70%	0.701	S	S	*	*			trans	76.9	95.7	-173.1	-66.8	77	0	0	0	115.6
330	K	31.5	Very low	28.8	Very low	146 Å²	146	118.4 Å²	118.4	64%	0.635	71%	0.71	S	S	*	*			trans	-78.3	137.5	158.4	-56.7	-167.3	-170.2	-166.5	0	110	E861	K330-E861 VanDerWaalsContact CE-OE1 3.23Å; K330-E861 WeakPolarHBondContact CE-OE1 3.29Å; K330-E861 IonicContact NZ-OE1 3.97Å; K330-E861 PolarHBondContact NZ-OE1 3.48Å
331	P	28	Very low	29	Very low	127 Å²	127	120.8 Å²	120.8	83%	0.825	70%	0.702	S	S	*	*			trans	-82.1	113.3	164.4	31.5	-30.1	0	0	0	110.8
332	G	25.8	Very low	29.2	Very low	82 Å²	82	125.3 Å²	125.3	85%	0.845	71%	0.711	S	S	*	*			trans	58.1	83.4	157.5	0	0	0	0	0	118.6
333	G	28.6	Very low	29.2	Very low	74 Å²	74	118.7 Å²	118.7	76%	0.763	69%	0.692	S	S	*	*			trans	-131.9	98.6	168.6	0	0	0	0	0	112.5	A335	G333-A335 PolarHBondContact O-N 3Å
334	V	25.4	Very low	29.4	Very low	133 Å²	133	121.8 Å²	121.8	81%	0.806	70%	0.699	S	S	*	*			trans	-85.8	90.8	-179.9	177	0	0	0	0	110.2	I336	V334-I336 HydrophobicContact CG1-CD1 4.13Å; V334-I336 HydrophobicContact CG1-CG1 3.95Å; V334-I336 PolarHBondContact O-N 2.76Å
335	A	28.2	Very low	29.3	Very low	95 Å²	95	124 Å²	124	79%	0.785	71%	0.706	S	S	*	*			trans	-84.4	96.6	173.6	0	0	0	0	0	110.9	G333	G333-A335 PolarHBondContact O-N 3Å
336	I	25.3	Very low	29.2	Very low	140 Å²	140	125.4 Å²	125.4	72%	0.718	72%	0.724	S	S	*	*			trans	-83.3	115.6	173.2	-67.4	159.2	0	0	0	109.4	V334	V334-I336 HydrophobicContact CG1-CD1 4.13Å; V334-I336 HydrophobicContact CG1-CG1 3.95Å; V334-I336 PolarHBondContact O-N 2.76Å
337	C	28.9	Very low	29.4	Very low	117 Å²	117	131.8 Å²	131.8	79%	0.791	75%	0.752	S	S	*	*			trans	-104.9	116.2	161.1	-66.1	0	0	0	0	109.2	A339	C337-A339 PolarHBondContact O-N 3.15Å; C337-A339 VanDerWaalsContact O-N 3.13Å
338	P	28.5	Very low	29.3	Very low	123 Å²	123	136 Å²	136	80%	0.799	77%	0.771	S	S	*	*			trans	-77.5	99.3	179.3	30.4	-33	0	0	0	110.9
339	A	34.3	Very low	29.3	Very low	95 Å²	95	143.7 Å²	143.7	79%	0.785	80%	0.798	S	S	*	*			trans	-76.1	123.2	165.2	0	0	0	0	0	109.5	C337	C337-A339 PolarHBondContact O-N 3.15Å; C337-A339 VanDerWaalsContact O-N 3.13Å
340	N	33.1	Very low	29.3	Very low	177 Å²	177	139.7 Å²	139.7	95%	0.947	80%	0.799	S	S	*	*			trans	-69.9	143.5	178.4	-130.2	-2.9	0	0	0	110.4
341	R	29.1	Very low	29.4	Very low	198 Å²	198	138 Å²	138	75%	0.747	81%	0.806	S	S	*	*			trans	-119.8	112	-159.4	-179.7	-166.9	-173.5	-171.3	4.4	112
342	E	32.4	Very low	29.4	Very low	202 Å²	202	138 Å²	138	94%	0.944	81%	0.807	S	S	*	*			trans	-115.5	145	155.5	-67	-156.5	137	0	0	110.3
343	M	26.3	Very low	29.7	Very low	112 Å²	112	141.6 Å²	141.6	55%	0.552	81%	0.805	S	S	*	*			trans	-112.2	127	-173	-78	172.9	38.6	0	0	110.7	Q345	M343-Q345 HydrophobicContact CE-CG 4.32Å
344	I	32.7	Very low	29.7	Very low	169 Å²	169	142.6 Å²	142.6	87%	0.867	80%	0.799	S	S	*	*			trans	-125.1	125.9	151.7	-60.7	-177.1	0	0	0	107.5
345	Q	25.9	Very low	29.8	Very low	163 Å²	163	146.1 Å²	146.1	76%	0.762	80%	0.803	S	S	*	*			trans	-104.2	133.9	178.9	-64.6	174	-27.7	0	0	109.8	M343	M343-Q345 HydrophobicContact CE-CG 4.32Å
346	S	30.8	Very low	29.9	Very low	103 Å²	103	150.4 Å²	150.4	72%	0.72	80%	0.804	S	S	*	*			trans	-163.6	126	150.1	40	0	0	0	0	114.6
347	M	32	Very low	30.2	Very low	187 Å²	187	152.6 Å²	152.6	92%	0.921	81%	0.811	S	S	*	*			trans	60.7	101	146.3	-57.8	-173	-175.1	0	0	120.4
348	N	29.1	Very low	30.3	Very low	163 Å²	163	154.2 Å²	154.2	87%	0.872	81%	0.812	S	S	*	*			trans	-61.8	139.9	161.4	-68.6	-34.7	0	0	0	113.1
349	K	29.9	Very low	30.7	Very low	200 Å²	200	154.9 Å²	154.9	87%	0.87	81%	0.809	S	S	*	*			trans	-144.2	122.5	145.1	-93	-173.9	177.6	177	0	109.4	S351	K349-S351 PolarHBondContact O-N 2.88Å
350	P	30.1	Very low	31.1	Very low	127 Å²	127	154.2 Å²	154.2	83%	0.825	79%	0.792	S	S	*	*			trans	-79.4	112.3	171.6	30.9	-30.9	0	0	0	109.9
351	S	32.1	Very low	32.1	Very low	112 Å²	112	148.2 Å²	148.2	78%	0.783	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-81.5	137.2	165.7	43.3	0	0	0	0	110.1	K349 I353	K349-S351 PolarHBondContact O-N 2.88Å; S351-I353 PolarHBondContact O-N 2.94Å
352	C	29.3	Very low	34.2	Very low	126 Å²	126	145.7 Å²	145.7	85%	0.851	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-74.7	126.5	177.9	-62	0	0	0	0	110.7
353	I	31.5	Very low	36.4	Very low	157 Å²	157	141.6 Å²	141.6	81%	0.805	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-75.7	126.8	165.5	-58.8	174.4	0	0	0	107.6	S351 K355	S351-I353 PolarHBondContact O-N 2.94Å; I353-K355 PolarHBondContact O-N 2.86Å
354	P	27.9	Very low	39.4	Very low	96 Å²	96	138 Å²	138	62%	0.623	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-62.9	134	174.2	-21	33.1	0	0	0	111	F356	P354-F356 PolarHBondContact O-N 2.9Å
355	K	27.9	Very low	42.1	Very low	206 Å²	206	132.1 Å²	132.1	90%	0.896	70%	0.696	S	S	*	*			trans	-70.6	109.5	162.7	-70.1	-172.9	175.7	-170.5	0	108.1	I353	I353-K355 PolarHBondContact O-N 2.86Å
356	F	31.2	Very low	45.3	Very low	186 Å²	186	126.4 Å²	126.4	82%	0.816	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-68.8	151.9	158.8	-78.3	-94.4	0	0	0	108.9	P354	P354-F356 PolarHBondContact O-N 2.9Å
357	H	31.4	Very low	48.2	Very low	186 Å²	186	124 Å²	124	86%	0.861	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-63.6	136.2	173.1	-94.1	-109.5	0	0	0	109.8	D359	H357-D359 PolarHBondContact O-N 2.92Å
358	D	31	Very low	50.8	Low	151 Å²	151	119 Å²	119	81%	0.807	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-63.4	119.9	156.2	-67.3	-63.8	0	0	0	107.4
359	D	35.8	Very low	53.4	Low	136 Å²	136	115 Å²	115	73%	0.727	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-96.1	118.5	165.1	-165.9	-16.6	0	0	0	106.8	H357 S361	H357-D359 PolarHBondContact O-N 2.92Å; D359-S361 PolarHBondContact O-N 2.83Å
360	D	44.3	Very low	56.2	Low	81 Å²	81	110.1 Å²	110.1	43%	0.433	61%	0.608	S	S	.	*			trans	-76.9	3.9	-159	-100.1	-10.5	0	0	0	113.6	H316	H316-D360 VanDerWaalsContact CD2-CB 3.42Å; H316-D360 WeakPolarHBondContact CD2-CB 3.46Å; H316-D360 IonicContact CD2-OD1 2.67Å; H316-D360 IonicContact CD2-OD2 2.7Å; H316-D360 PolarHBondContact CD2-OD2 3.47Å; H316-D360 IonicContact CE1-OD1 2.72Å; H316-D360 IonicContact CG-OD1 2.68Å; H316-D360 IonicContact CG-OD2 3.36Å; H316-D360 IonicContact ND1-OD1 3.61Å; H316-D360 WeakPolarHBondContact NE2-CA 3.41Å; H316-D360 WeakPolarHBondContact NE2-CB 3.29Å; H316-D360 VanDerWaalsContact NE2-CG 3.35Å; H316-D360 CovalentContact NE2-O 1.82Å; H316-D360 PolarHBondContact NE2-O 2.88Å; H316-D360 IonicContact NE2-OD1 3.09Å
361	S	53.5	Low	59.1	Low	51 Å²	51	104 Å²	104	36%	0.357	57%	0.569	S	S	.	*			trans	-90.2	111.5	177.8	56.8	0	0	0	0	112	D359 E363	D359-S361 PolarHBondContact O-N 2.83Å; S361-E363 PolarHBondContact O-N 3.1Å; S361-E363 VanDerWaalsContact O-N 3.13Å
362	K	72.3	Confident	62.1	Low	146 Å²	146	99.5 Å²	99.5	64%	0.635	54%	0.535	S	S	*	.			trans	-78.1	20.1	171	-63.5	-177.3	179.6	177.5	0	113.1
363	E	80	Confident	65.1	Low	116 Å²	116	93.6 Å²	93.6	54%	0.542	50%	0.495	S	S	.	.	S	Bend	trans	-81.6	155.9	-176.1	-65.2	-146.5	109.7	0	0	111.6	S361 T365 Y376 K1008	S361-E363 PolarHBondContact O-N 3.1Å; S361-E363 VanDerWaalsContact O-N 3.13Å; E363-T365 PolarHBondContact O-N 2.73Å; E363-Y376 VanDerWaalsContact O-CE2 3.22Å; E363-Y376 WeakPolarHBondContact O-CE2 3.43Å; E363-K1008 IonicContact OE1-NZ 3.38Å
364	T	88.1	Confident	68	Low	35 Å²	35	89.5 Å²	89.5	22%	0.215	47%	0.47	C	S	.	.			trans	-63.3	130.7	172.6	-63.3	0	0	0	0	109.1	L373 R374 F375 L396 P1007	T364-L373 HydrophobicContact CG2-CD1 3.61Å; T364-L373 HydrophobicContact CG2-CD2 4.47Å; T364-L373 HydrophobicContact CG2-CG 4.02Å; T364-R374 CarbonylContact C-O 3.58Å; T364-R374 VanDerWaalsContact CA-O 3.26Å; T364-R374 WeakPolarHBondContact CA-O 3.32Å; T364-R374 WeakPolarHBondContact CG2-O 3.42Å; T364-F375 HydrophobicContact CG2-CB 4.17Å; T364-L396 HydrophobicContact CG2-CD1 4.21Å; T364-L396 WeakPolarHBondContact O-CD2 3.45Å; T364-P1007 HydrophobicContact CG2-CB 4.35Å; T364-P1007 HydrophobicContact CG2-CG 4.29Å
365	T	91.1	Very high	70.9	Confident	47 Å²	47	85.3 Å²	85.3	29%	0.288	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	142.1	-178	42.3	0	0	0	0	110.7	E363 R374	E363-T365 PolarHBondContact O-N 2.73Å; T365-R374 PolarHBondContact N-O 2.88Å; T365-R374 PolarHBondContact O-N 2.91Å
366	Y	91.4	Very high	73.8	Confident	42 Å²	42	79 Å²	79	17%	0.165	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	133.2	172.4	175.6	-138.8	0	0	0	109.5	P368 I372 M386 M391 Y394	Y366-P368 HydrophobicContact CD1-CG 3.94Å; Y366-P368 HydrophobicContact CE1-CB 3.97Å; Y366-P368 HydrophobicContact CE1-CG 3.79Å; Y366-P368 WeakPolarHBondContact O-CD 2.94Å; Y366-I372 WeakPolarHBondContact CD2-O 3.15Å; Y366-M386 HydrophobicContact CD2-CE 3.82Å; Y366-M386 HydrophobicContact CE1-CE 4.32Å; Y366-M386 HydrophobicContact CE2-CE 3.2Å; Y366-M386 VanDerWaalsContact CZ-CE 3.48Å; Y366-M391 WeakPolarHBondContact OH-CA 3.49Å; Y366-M391 PolarHBondContact OH-O 3.47Å; Y366-Y394 AromaticContact CD1-CD1 3.73Å; Y366-Y394 HydrophobicContact CD1-CD1 3.73Å; Y366-Y394 HydrophobicContact CD1-CE1 4.31Å; Y366-Y394 HydrophobicContact CD2-CD1 4.24Å; Y366-Y394 HydrophobicContact CD2-CE1 4.47Å; Y366-Y394 AromaticContact CE1-CD1 3.92Å; Y366-Y394 HydrophobicContact CE1-CD1 3.92Å; Y366-Y394 HydrophobicContact CE2-CD1 4.47Å; Y366-Y394 AromaticContact CG-CD1 3.91Å; Y366-Y394 HydrophobicContact CG-CD1 3.91Å; Y366-Y394 HydrophobicContact CG-CE1 4.11Å
367	L	91.6	Very high	76.3	Confident	54 Å²	54	70.1 Å²	70.1	28%	0.283	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	94.4	177.4	-58.3	176.9	0	0	0	108.7	G369 D370 G371 I372	L367-G369 PolarHBondContact O-N 3.05Å; L367-D370 PolarHBondContact O-N 3.11Å; L367-G371 PolarHBondContact O-N 2.85Å; L367-I372 HydrophobicContact CB-CB 4.26Å; L367-I372 HydrophobicContact CD1-CB 4.34Å; L367-I372 HydrophobicContact CD1-CG2 4.3Å; L367-I372 PolarHBondContact N-O 3.26Å; L367-I372 PolarHBondContact O-N 2.8Å; L367-I372 VanDerWaalsContact O-N 3.17Å
368	P	86.8	Confident	78.6	Confident	82 Å²	82	67.5 Å²	67.5	53%	0.532	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-32.3	-168.4	-22.6	33.7	0	0	0	114.6	Y366 D370 G371 M391	Y366-P368 HydrophobicContact CD1-CG 3.94Å; Y366-P368 HydrophobicContact CE1-CB 3.97Å; Y366-P368 HydrophobicContact CE1-CG 3.79Å; Y366-P368 WeakPolarHBondContact O-CD 2.94Å; P368-D370 PolarHBondContact O-N 3.3Å; P368-G371 PolarHBondContact O-N 2.92Å; P368-M391 WeakPolarHBondContact O-CE 3.41Å
369	G	85.2	Confident	81	Confident	78 Å²	78	62.1 Å²	62.1	80%	0.804	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-39.3	-177.9	0	0	0	0	0	113.6	L367	L367-G369 PolarHBondContact O-N 3.05Å
370	D	87.3	Confident	83.3	Confident	97 Å²	97	60.4 Å²	60.4	52%	0.519	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-12	178.2	-57.7	-58.5	0	0	0	112.8	L367 P368 I372 R948	L367-D370 PolarHBondContact O-N 3.11Å; P368-D370 PolarHBondContact O-N 3.3Å; D370-I372 HydrophobicContact CB-CB 4.41Å; D370-I372 HydrophobicContact CB-CD1 3.59Å; D370-I372 HydrophobicContact CB-CG1 3.74Å; D370-R948 PolarHBondContact O-NH1 3.11Å; D370-R948 PolarHBondContact O-NH2 3.5Å
371	G	92	Very high	85.4	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	38.8	-169.7	0	0	0	0	0	112.6	L367 P368 M386 M391	L367-G371 PolarHBondContact O-N 2.85Å; P368-G371 PolarHBondContact O-N 2.92Å; G371-M386 WeakPolarHBondContact O-CB 3.36Å; G371-M386 PolarHBondContact O-N 3.42Å; G371-M391 VanDerWaalsContact CA-CE 3.48Å
372	I	93.8	Very high	87.2	Confident	16 Å²	16	57.4 Å²	57.4	8%	0.082	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.4	-178.6	-66.7	170.9	0	0	0	109.7	Y366 L367 D370 N383 V384 Y385	Y366-I372 WeakPolarHBondContact CD2-O 3.15Å; L367-I372 HydrophobicContact CB-CB 4.26Å; L367-I372 HydrophobicContact CD1-CB 4.34Å; L367-I372 HydrophobicContact CD1-CG2 4.3Å; L367-I372 PolarHBondContact N-O 3.26Å; L367-I372 PolarHBondContact O-N 2.8Å; L367-I372 VanDerWaalsContact O-N 3.17Å; D370-I372 HydrophobicContact CB-CB 4.41Å; D370-I372 HydrophobicContact CB-CD1 3.59Å; D370-I372 HydrophobicContact CB-CG1 3.74Å; I372-N383 HydrophobicContact CG2-CB 3.73Å; I372-V384 WeakPolarHBondContact CA-O 3.32Å; I372-Y385 HydrophobicContact CD1-CD1 4.26Å; I372-Y385 HydrophobicContact CD1-CE1 3.68Å; I372-Y385 HydrophobicContact CG1-CD1 3.73Å; I372-Y385 HydrophobicContact CG1-CE1 3.68Å
373	L	93.3	Very high	88.2	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.5	161.4	-174.7	73.1	0	0	0	108.2	T364 V384 Y394 L396 W961 A964	T364-L373 HydrophobicContact CG2-CD1 3.61Å; T364-L373 HydrophobicContact CG2-CD2 4.47Å; T364-L373 HydrophobicContact CG2-CG 4.02Å; L373-V384 HydrophobicContact CB-CG2 3.97Å; L373-V384 HydrophobicContact CD2-CG2 4.38Å; L373-V384 PolarHBondContact N-O 2.93Å; L373-V384 WeakPolarHBondContact O-CG2 3.46Å; L373-V384 PolarHBondContact O-N 3.02Å; L373-Y394 HydrophobicContact CD1-CE1 4.11Å; L373-L396 HydrophobicContact CD1-CD1 3.87Å; L373-W961 HydrophobicContact CB-CE3 4.07Å; L373-W961 HydrophobicContact CB-CZ3 3.9Å; L373-W961 HydrophobicContact CD2-CE3 4.1Å; L373-W961 HydrophobicContact CD2-CZ3 3.86Å; L373-W961 HydrophobicContact CG-CZ3 4.4Å; L373-A964 HydrophobicContact CD2-CB 3.9Å
374	R	92.5	Very high	88.9	Confident	71 Å²	71	48 Å²	48	27%	0.268	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	117	175.7	174.5	176.4	-63.6	156.7	9.9	109.3	T364 T365 Y376 P381 V382 N383	T364-R374 CarbonylContact C-O 3.58Å; T364-R374 VanDerWaalsContact CA-O 3.26Å; T364-R374 WeakPolarHBondContact CA-O 3.32Å; T364-R374 WeakPolarHBondContact CG2-O 3.42Å; T365-R374 PolarHBondContact N-O 2.88Å; T365-R374 PolarHBondContact O-N 2.91Å; R374-Y376 WeakPolarHBondContact CD-OH 3.32Å; R374-Y376 HydrophobicContact CG-CE2 3.94Å; R374-P381 HydrophobicContact CG-CB 3.97Å; R374-V382 WeakPolarHBondContact CA-O 3.48Å; R374-N383 PolarHBondContact NE-OD1 2.81Å; R374-N383 PolarHBondContact NH2-OD1 3.29Å; R374-N383 VanDerWaalsContact NH2-OD1 3.14Å
375	F	89.1	Confident	89.2	Confident	8 Å²	8	49.4 Å²	49.4	4%	0.035	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	173.2	168.7	63.8	-79.5	0	0	0	109.8	T364 I377 P381 V382 V384 L959 A964	T364-F375 HydrophobicContact CG2-CB 4.17Å; F375-I377 HydrophobicContact CD2-CD1 4.49Å; F375-I377 HydrophobicContact CD2-CG1 4.28Å; F375-I377 HydrophobicContact CE2-CD1 3.84Å; F375-I377 HydrophobicContact CE2-CG1 4.12Å; F375-P381 CarbonylContact O-C 3.6Å; F375-P381 WeakPolarHBondContact O-CA 3.49Å; F375-V382 HydrophobicContact CD1-CB 4.32Å; F375-V382 HydrophobicContact CD2-CB 4.37Å; F375-V382 HydrophobicContact CE1-CB 3.97Å; F375-V382 HydrophobicContact CE1-CG1 3.78Å; F375-V382 HydrophobicContact CE2-CB 4.02Å; F375-V382 HydrophobicContact CE2-CG1 4.23Å; F375-V382 HydrophobicContact CE2-CG2 4.38Å; F375-V382 HydrophobicContact CZ-CB 3.82Å; F375-V382 HydrophobicContact CZ-CG1 3.58Å; F375-V382 PolarHBondContact N-O 3.3Å; F375-V382 VanDerWaalsContact N-O 3.08Å; F375-V382 PolarHBondContact O-N 3.23Å; F375-V384 HydrophobicContact CD1-CG2 4.25Å; F375-V384 HydrophobicContact CE1-CG1 3.83Å; F375-V384 HydrophobicContact CE1-CG2 3.88Å; F375-L959 HydrophobicContact CE2-CD2 4.1Å; F375-L959 HydrophobicContact CZ-CD2 4.08Å; F375-A964 HydrophobicContact CD1-CB 3.89Å; F375-A964 HydrophobicContact CE1-CB 3.79Å; F375-A964 HydrophobicContact CZ-CB 4.33Å
376	Y	87.7	Confident	89.3	Confident	73 Å²	73	47.1 Å²	47.1	29%	0.286	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	125.2	-171.8	-67.5	-100.7	0	0	0	110.8	E363 R374 R380 P381	E363-Y376 VanDerWaalsContact O-CE2 3.22Å; E363-Y376 WeakPolarHBondContact O-CE2 3.43Å; R374-Y376 WeakPolarHBondContact CD-OH 3.32Å; R374-Y376 HydrophobicContact CG-CE2 3.94Å; Y376-R380 WeakPolarHBondContact CA-O 3.46Å; Y376-P381 HydrophobicContact CD1-CB 4.12Å; Y376-P381 HydrophobicContact CE1-CB 3.8Å; Y376-P381 HydrophobicContact CE1-CG 4.48Å
377	I	84.6	Confident	89.4	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.1	173	-74.3	-179.4	0	0	0	108.4	F375 G379 R380 Y928 L959 W967 G973	F375-I377 HydrophobicContact CD2-CD1 4.49Å; F375-I377 HydrophobicContact CD2-CG1 4.28Å; F375-I377 HydrophobicContact CE2-CD1 3.84Å; F375-I377 HydrophobicContact CE2-CG1 4.12Å; I377-G379 PolarHBondContact O-N 3.02Å; I377-R380 PolarHBondContact N-O 3.09Å; I377-R380 WeakPolarHBondContact O-CB 3.28Å; I377-R380 PolarHBondContact O-N 2.81Å; I377-Y928 HydrophobicContact CB-CG 4.47Å; I377-Y928 HydrophobicContact CG2-CD1 3.8Å; I377-Y928 HydrophobicContact CG2-CD2 3.82Å; I377-Y928 HydrophobicContact CG2-CE1 3.82Å; I377-Y928 HydrophobicContact CG2-CE2 3.84Å; I377-Y928 HydrophobicContact CG2-CG 3.8Å; I377-L959 HydrophobicContact CD1-CD2 3.48Å; I377-L959 VanDerWaalsContact CD1-CD2 3.48Å; I377-W967 HydrophobicContact CD1-CD2 4.09Å; I377-W967 HydrophobicContact CD1-CG 4.34Å; I377-W967 HydrophobicContact CD1-CZ2 4.42Å; I377-G973 VanDerWaalsContact CG2-CA 3.45Å
378	R	79	Confident	89.5	Confident	130 Å²	130	47.6 Å²	47.6	49%	0.491	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	20.8	-168.8	-66.8	-175.7	170.2	148.3	6.5	114	Y928 D972 T974	R378-Y928 WeakPolarHBondContact CD-OH 3.36Å; R378-Y928 PolarHBondContact NH1-OH 3.35Å; R378-D972 VanDerWaalsContact CD-O 3.29Å; R378-D972 WeakPolarHBondContact CD-O 3.36Å; R378-D972 HydrophobicContact CG-CB 4.13Å; R378-D972 VanDerWaalsContact CG-O 3.27Å; R378-D972 WeakPolarHBondContact CG-O 3.34Å; R378-D972 IonicContact CZ-OD2 3.55Å; R378-D972 PolarHBondContact NE-O 2.97Å; R378-D972 IonicContact NE-OD2 3.58Å; R378-D972 PolarHBondContact NH2-O 2.84Å; R378-D972 IonicContact NH2-OD1 3.75Å; R378-D972 IonicContact NH2-OD2 3.27Å; R378-D972 PolarHBondContact NH2-OD2 2.85Å; R378-T974 PolarHBondContact NH2-OG1 2.9Å; R378-T974 VanDerWaalsContact NH2-OG1 3.16Å
379	G	80.7	Confident	89.8	Confident	39 Å²	39	51.9 Å²	51.9	40%	0.402	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	-2.6	-173	0	0	0	0	0	116.2	I377	I377-G379 PolarHBondContact O-N 3.02Å
380	R	84.3	Confident	90	Very high	99 Å²	99	51.1 Å²	51.1	37%	0.374	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	125.7	166.9	-178.1	177.8	179.8	158.4	4.8	108.6	Y376 I377 V382 D927 E929	Y376-R380 WeakPolarHBondContact CA-O 3.46Å; I377-R380 PolarHBondContact N-O 3.09Å; I377-R380 WeakPolarHBondContact O-CB 3.28Å; I377-R380 PolarHBondContact O-N 2.81Å; R380-V382 PolarHBondContact O-N 3.36Å; R380-D927 PolarHBondContact NH1-O 3.05Å; R380-E929 IonicContact CZ-OE1 3.16Å; R380-E929 IonicContact NH1-OE1 2.75Å; R380-E929 IonicContact NH2-OE1 2.76Å; R380-E929 PolarHBondContact NH2-OE1 3.46Å
381	P	89.9	Confident	90.2	Very high	63 Å²	63	48.4 Å²	48.4	41%	0.409	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	127.3	173.9	28.1	-32.7	0	0	0	110.6	R374 F375 Y376	R374-P381 HydrophobicContact CG-CB 3.97Å; F375-P381 CarbonylContact O-C 3.6Å; F375-P381 WeakPolarHBondContact O-CA 3.49Å; Y376-P381 HydrophobicContact CD1-CB 4.12Å; Y376-P381 HydrophobicContact CE1-CB 3.8Å; Y376-P381 HydrophobicContact CE1-CG 4.48Å
382	V	91	Very high	90	Very high	7 Å²	7	57.1 Å²	57.1	4%	0.042	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.5	172.3	-176.2	0	0	0	0	107.6	R374 F375 R380 V384 I930	R374-V382 WeakPolarHBondContact CA-O 3.48Å; F375-V382 HydrophobicContact CD1-CB 4.32Å; F375-V382 HydrophobicContact CD2-CB 4.37Å; F375-V382 HydrophobicContact CE1-CB 3.97Å; F375-V382 HydrophobicContact CE1-CG1 3.78Å; F375-V382 HydrophobicContact CE2-CB 4.02Å; F375-V382 HydrophobicContact CE2-CG1 4.23Å; F375-V382 HydrophobicContact CE2-CG2 4.38Å; F375-V382 HydrophobicContact CZ-CB 3.82Å; F375-V382 HydrophobicContact CZ-CG1 3.58Å; F375-V382 PolarHBondContact N-O 3.3Å; F375-V382 VanDerWaalsContact N-O 3.08Å; F375-V382 PolarHBondContact O-N 3.23Å; R380-V382 PolarHBondContact O-N 3.36Å; V382-V384 HydrophobicContact CG1-CG1 4.42Å; V382-I930 HydrophobicContact CG1-CD1 3.86Å; V382-I930 HydrophobicContact CG1-CG1 4.47Å
383	N	93.4	Very high	89.8	Confident	59 Å²	59	63 Å²	63	32%	0.316	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	120.2	178	-63.6	-47.6	0	0	0	109.2	I372 R374	I372-N383 HydrophobicContact CG2-CB 3.73Å; R374-N383 PolarHBondContact NE-OD1 2.81Å; R374-N383 PolarHBondContact NH2-OD1 3.29Å; R374-N383 VanDerWaalsContact NH2-OD1 3.14Å
384	V	94.3	Very high	89.7	Confident	5 Å²	5	63.8 Å²	63.8	3%	0.03	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	146.5	172.3	-67.5	0	0	0	0	110.8	I372 L373 F375 V382 I930 W961 A964	I372-V384 WeakPolarHBondContact CA-O 3.32Å; L373-V384 HydrophobicContact CB-CG2 3.97Å; L373-V384 HydrophobicContact CD2-CG2 4.38Å; L373-V384 PolarHBondContact N-O 2.93Å; L373-V384 WeakPolarHBondContact O-CG2 3.46Å; L373-V384 PolarHBondContact O-N 3.02Å; F375-V384 HydrophobicContact CD1-CG2 4.25Å; F375-V384 HydrophobicContact CE1-CG1 3.83Å; F375-V384 HydrophobicContact CE1-CG2 3.88Å; V382-V384 HydrophobicContact CG1-CG1 4.42Å; V384-I930 HydrophobicContact CG1-CD1 3.46Å; V384-I930 VanDerWaalsContact CG1-CD1 3.46Å; V384-W961 HydrophobicContact CB-CB 4.27Å; V384-W961 HydrophobicContact CG2-CB 4.34Å; V384-A964 HydrophobicContact CG2-CB 4.43Å
385	Y	93.8	Very high	89.6	Confident	64 Å²	64	64 Å²	64	25%	0.251	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.5	-168.7	-60.8	-94.8	0	0	0	110.4	I372 P944 W961	I372-Y385 HydrophobicContact CD1-CD1 4.26Å; I372-Y385 HydrophobicContact CD1-CE1 3.68Å; I372-Y385 HydrophobicContact CG1-CD1 3.73Å; I372-Y385 HydrophobicContact CG1-CE1 3.68Å; Y385-P944 HydrophobicContact CD2-CB 3.89Å; Y385-P944 HydrophobicContact CE2-CB 3.65Å; Y385-P944 HydrophobicContact CE2-CG 4.28Å; Y385-W961 WeakPolarHBondContact O-CB 3.47Å
386	M	93.4	Very high	89.7	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-80.5	139.3	179.6	-174	-177.8	-31.4	0	0	111.3	Y366 G371 I390 M391 Y394 R948 W961	Y366-M386 HydrophobicContact CD2-CE 3.82Å; Y366-M386 HydrophobicContact CE1-CE 4.32Å; Y366-M386 HydrophobicContact CE2-CE 3.2Å; Y366-M386 VanDerWaalsContact CZ-CE 3.48Å; G371-M386 WeakPolarHBondContact O-CB 3.36Å; G371-M386 PolarHBondContact O-N 3.42Å; M386-I390 HydrophobicContact CG-CB 3.99Å; M386-I390 HydrophobicContact CG-CG2 4.35Å; M386-I390 HydrophobicContact SD-CB 3.75Å; M386-I390 HydrophobicContact SD-CG2 3.71Å; M386-M391 HydrophobicContact CB-CG 4.21Å; M386-M391 HydrophobicContact CG-CG 4.16Å; M386-M391 VanDerWaalsContact SD-CA 3.52Å; M386-M391 HydrophobicContact SD-CB 4.35Å; M386-M391 HydrophobicContact SD-CG 3.96Å; M386-M391 PolarHBondContact SD-N 2.83Å; M386-Y394 HydrophobicContact CE-CD1 3.57Å; M386-Y394 HydrophobicContact CE-CD2 4.21Å; M386-Y394 HydrophobicContact CE-CE1 4.21Å; M386-Y394 HydrophobicContact CE-CG 3.55Å; M386-Y394 HydrophobicContact SD-CD2 4.42Å; M386-Y394 HydrophobicContact SD-CG 4.01Å; M386-R948 WeakPolarHBondContact O-CD 3.5Å; M386-R948 PolarHBondContact O-NH1 2.96Å; M386-W961 HydrophobicContact CB-CD2 4.17Å; M386-W961 HydrophobicContact CB-CE3 4.06Å; M386-W961 HydrophobicContact CB-CH2 4.13Å; M386-W961 HydrophobicContact CB-CZ2 4.27Å; M386-W961 HydrophobicContact CB-CZ3 4.03Å; M386-W961 HydrophobicContact CE-CH2 3.49Å; M386-W961 VanDerWaalsContact CE-CH2 3.49Å; M386-W961 HydrophobicContact CE-CZ2 4.34Å; M386-W961 HydrophobicContact CE-CZ3 3.72Å; M386-W961 HydrophobicContact CG-CD2 4.2Å; M386-W961 HydrophobicContact CG-CE3 4.31Å; M386-W961 HydrophobicContact CG-CH2 3.58Å; M386-W961 HydrophobicContact CG-CZ2 3.48Å; M386-W961 VanDerWaalsContact CG-CZ2 3.48Å; M386-W961 HydrophobicContact CG-CZ3 4.02Å; M386-W961 HydrophobicContact SD-CH2 3.67Å; M386-W961 HydrophobicContact SD-CZ2 3.94Å; M386-W961 HydrophobicContact SD-CZ3 4.36Å
387	P	94.5	Very high	89.8	Confident	29 Å²	29	66.6 Å²	66.6	19%	0.188	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-53.2	137.4	167.4	-24	31.5	0	0	0	112.2	Q389 I390 R948 D949 W961	P387-Q389 PolarHBondContact O-N 2.86Å; P387-Q389 VanDerWaalsContact O-N 3.11Å; P387-I390 HydrophobicContact CB-CD1 4.25Å; P387-I390 HydrophobicContact CB-CG1 4.39Å; P387-I390 HydrophobicContact CG-CD1 4.13Å; P387-I390 PolarHBondContact O-N 2.86Å; P387-R948 WeakPolarHBondContact CA-O 3.32Å; P387-R948 WeakPolarHBondContact CG-O 3.48Å; P387-D949 WeakPolarHBondContact CA-OD1 3.33Å; P387-W961 VanDerWaalsContact CD-NE1 3.29Å
388	T	93.7	Very high	90.1	Very high	77 Å²	77	71.2 Å²	71.2	47%	0.472	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-35.5	-173.3	-58.2	0	0	0	0	112.2	I390 R948 D949	T388-I390 VanDerWaalsContact C-N 3.27Å; T388-I390 PolarHBondContact O-N 3.47Å; T388-R948 VanDerWaalsContact OG1-CD 3.27Å; T388-R948 WeakPolarHBondContact OG1-CD 3.44Å; T388-D949 WeakPolarHBondContact CB-OD2 3.38Å; T388-D949 PolarHBondContact N-OD1 3.28Å; T388-D949 PolarHBondContact OG1-OD1 2.82Å; T388-D949 PolarHBondContact OG1-OD2 2.76Å
389	Q	91.4	Very high	90.7	Very high	172 Å²	172	68.9 Å²	68.9	80%	0.804	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-25.7	-178.9	-55.9	-177.8	19.4	0	0	113.8	P387	P387-Q389 PolarHBondContact O-N 2.86Å; P387-Q389 VanDerWaalsContact O-N 3.11Å
390	I	91.1	Very high	91.4	Very high	61 Å²	61	68.6 Å²	68.6	31%	0.313	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-25.9	-173	-52.6	177.3	0	0	0	111.1	M386 P387 T388 Q392 N393 Y394 W961	M386-I390 HydrophobicContact CG-CB 3.99Å; M386-I390 HydrophobicContact CG-CG2 4.35Å; M386-I390 HydrophobicContact SD-CB 3.75Å; M386-I390 HydrophobicContact SD-CG2 3.71Å; P387-I390 HydrophobicContact CB-CD1 4.25Å; P387-I390 HydrophobicContact CB-CG1 4.39Å; P387-I390 HydrophobicContact CG-CD1 4.13Å; P387-I390 PolarHBondContact O-N 2.86Å; T388-I390 VanDerWaalsContact C-N 3.27Å; T388-I390 PolarHBondContact O-N 3.47Å; I390-Q392 VanDerWaalsContact C-N 3.28Å; I390-Q392 PolarHBondContact O-N 2.86Å; I390-N393 PolarHBondContact O-N 3.34Å; I390-Y394 PolarHBondContact O-N 3.12Å; I390-W961 HydrophobicContact CD1-CZ2 4.49Å; I390-W961 HydrophobicContact CG2-CZ2 4.35Å
391	M	90.8	Very high	92	Very high	41 Å²	41	70.5 Å²	70.5	20%	0.202	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-36.7	-170	-73.1	175.6	52.6	0	0	115.4	Y366 P368 G371 M386 N393	Y366-M391 WeakPolarHBondContact OH-CA 3.49Å; Y366-M391 PolarHBondContact OH-O 3.47Å; P368-M391 WeakPolarHBondContact O-CE 3.41Å; G371-M391 VanDerWaalsContact CA-CE 3.48Å; M386-M391 HydrophobicContact CB-CG 4.21Å; M386-M391 HydrophobicContact CG-CG 4.16Å; M386-M391 VanDerWaalsContact SD-CA 3.52Å; M386-M391 HydrophobicContact SD-CB 4.35Å; M386-M391 HydrophobicContact SD-CG 3.96Å; M386-M391 PolarHBondContact SD-N 2.83Å; M391-N393 VanDerWaalsContact C-N 3.35Å
392	Q	87.2	Confident	92.3	Very high	182 Å²	182	68.7 Å²	68.7	85%	0.85	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-23	-177.4	-63	-177	3	0	0	113.5	I390	I390-Q392 VanDerWaalsContact C-N 3.28Å; I390-Q392 PolarHBondContact O-N 2.86Å
393	N	89.4	Confident	92.6	Very high	141 Å²	141	68.4 Å²	68.4	75%	0.754	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	4.6	-170.7	-63	-42	0	0	0	113.2	I390 M391 D395	I390-N393 PolarHBondContact O-N 3.34Å; M391-N393 VanDerWaalsContact C-N 3.35Å; N393-D395 PolarHBondContact O-N 2.86Å
394	Y	92	Very high	92.8	Very high	18 Å²	18	70.9 Å²	70.9	7%	0.071	37%	0.373	C	S	.	.			trans	-83.8	99.5	-177.4	-177.4	-97.2	0	0	0	112.4	Y366 L373 M386 I390 L396 W961 N1005 K1006	Y366-Y394 AromaticContact CD1-CD1 3.73Å; Y366-Y394 HydrophobicContact CD1-CD1 3.73Å; Y366-Y394 HydrophobicContact CD1-CE1 4.31Å; Y366-Y394 HydrophobicContact CD2-CD1 4.24Å; Y366-Y394 HydrophobicContact CD2-CE1 4.47Å; Y366-Y394 AromaticContact CE1-CD1 3.92Å; Y366-Y394 HydrophobicContact CE1-CD1 3.92Å; Y366-Y394 HydrophobicContact CE2-CD1 4.47Å; Y366-Y394 AromaticContact CG-CD1 3.91Å; Y366-Y394 HydrophobicContact CG-CD1 3.91Å; Y366-Y394 HydrophobicContact CG-CE1 4.11Å; L373-Y394 HydrophobicContact CD1-CE1 4.11Å; M386-Y394 HydrophobicContact CE-CD1 3.57Å; M386-Y394 HydrophobicContact CE-CD2 4.21Å; M386-Y394 HydrophobicContact CE-CE1 4.21Å; M386-Y394 HydrophobicContact CE-CG 3.55Å; M386-Y394 HydrophobicContact SD-CD2 4.42Å; M386-Y394 HydrophobicContact SD-CG 4.01Å; I390-Y394 PolarHBondContact O-N 3.12Å; Y394-L396 HydrophobicContact CE1-CB 4.13Å; Y394-L396 HydrophobicContact CE1-CD1 3.95Å; Y394-L396 VanDerWaalsContact OH-CD1 3.27Å; Y394-L396 WeakPolarHBondContact OH-CD1 3.46Å; Y394-W961 AromaticContact CD2-CH2 3.56Å; Y394-W961 HydrophobicContact CD2-CH2 3.56Å; Y394-W961 HydrophobicContact CD2-CZ2 4.27Å; Y394-W961 HydrophobicContact CE1-CH2 4.42Å; Y394-W961 AromaticContact CE2-CH2 3.37Å; Y394-W961 HydrophobicContact CE2-CH2 3.37Å; Y394-W961 HydrophobicContact CE2-CZ2 4.25Å; Y394-W961 HydrophobicContact CE2-CZ3 4.11Å; Y394-W961 HydrophobicContact CG-CH2 4.16Å; Y394-W961 AromaticContact CZ-CH2 3.84Å; Y394-N1005 PolarHBondContact OH-O 3.48Å; Y394-K1006 VanDerWaalsContact CD2-NZ 3.27Å; Y394-K1006 HydrophobicContact CE2-CD 3.82Å
395	D	91.3	Very high	92.9	Very high	74 Å²	74	71.5 Å²	71.5	40%	0.396	38%	0.376	S	S	.	.			trans	-92.3	114.3	169.6	-177.3	-7.8	0	0	0	110.8	N393 S397 I398 K1006	N393-D395 PolarHBondContact O-N 2.86Å; D395-S397 VanDerWaalsContact CG-OG 3.22Å; D395-S397 PolarHBondContact O-N 2.87Å; D395-S397 VanDerWaalsContact OD1-CB 3.3Å; D395-S397 WeakPolarHBondContact OD1-CB 3.46Å; D395-S397 PolarHBondContact OD1-N 3.37Å; D395-S397 PolarHBondContact OD1-OG 3.33Å; D395-S397 PolarHBondContact OD2-OG 3.01Å; D395-S397 VanDerWaalsContact OD2-OG 3.13Å; D395-I398 HydrophobicContact CB-CD1 3.88Å; D395-I398 HydrophobicContact CB-CG1 4.03Å; D395-K1006 PolarHBondContact O-NZ 2.87Å
396	L	90.9	Very high	93.1	Very high	43 Å²	43	70.6 Å²	70.6	23%	0.225	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-21.3	179.9	-173	63.3	0	0	0	113.2	T364 L373 Y394 I398 P1007	T364-L396 HydrophobicContact CG2-CD1 4.21Å; T364-L396 WeakPolarHBondContact O-CD2 3.45Å; L373-L396 HydrophobicContact CD1-CD1 3.87Å; Y394-L396 HydrophobicContact CE1-CB 4.13Å; Y394-L396 HydrophobicContact CE1-CD1 3.95Å; Y394-L396 VanDerWaalsContact OH-CD1 3.27Å; Y394-L396 WeakPolarHBondContact OH-CD1 3.46Å; L396-I398 VanDerWaalsContact C-N 3.33Å; L396-P1007 VanDerWaalsContact CD1-CD 3.5Å; L396-P1007 HydrophobicContact CD1-CG 3.92Å
397	S	89	Confident	93.3	Very high	93 Å²	93	71.1 Å²	71.1	65%	0.65	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-16.2	-177.3	74.5	0	0	0	0	114.1	D395 P399	D395-S397 VanDerWaalsContact CG-OG 3.22Å; D395-S397 PolarHBondContact O-N 2.87Å; D395-S397 VanDerWaalsContact OD1-CB 3.3Å; D395-S397 WeakPolarHBondContact OD1-CB 3.46Å; D395-S397 PolarHBondContact OD1-N 3.37Å; D395-S397 PolarHBondContact OD1-OG 3.33Å; D395-S397 PolarHBondContact OD2-OG 3.01Å; D395-S397 VanDerWaalsContact OD2-OG 3.13Å; S397-P399 VanDerWaalsContact O-CD 3.32Å; S397-P399 WeakPolarHBondContact O-CD 3.06Å
398	I	92.1	Very high	93.4	Very high	99 Å²	99	75.2 Å²	75.2	51%	0.508	40%	0.395	S	S	.	.	S	Bend	trans	-80.6	114.4	179	-57.7	178.1	0	0	0	109.4	D395 L396	D395-I398 HydrophobicContact CB-CD1 3.88Å; D395-I398 HydrophobicContact CB-CG1 4.03Å; L396-I398 VanDerWaalsContact C-N 3.33Å
399	P	91.6	Very high	93.6	Very high	80 Å²	80	72.4 Å²	72.4	52%	0.519	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-70.2	139.9	178.7	29.6	-34.9	0	0	0	111.2	S397 K401	S397-P399 VanDerWaalsContact O-CD 3.32Å; S397-P399 WeakPolarHBondContact O-CD 3.06Å; P399-K401 PolarHBondContact O-N 2.83Å
400	L	94.7	Very high	93.9	Very high	34 Å²	34	66.1 Å²	66.1	18%	0.178	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-81.3	116.2	172.4	-176.8	61.8	0	0	0	109.5	K1001 T1004 K1006 A1009 E1010	L400-K1001 HydrophobicContact CD1-CB 4.1Å; L400-K1001 HydrophobicContact CD2-CB 4.5Å; L400-K1001 HydrophobicContact CG-CB 4.42Å; L400-T1004 HydrophobicContact CD2-CG2 4.15Å; L400-K1006 HydrophobicContact CB-CB 3.84Å; L400-K1006 HydrophobicContact CB-CG 3.73Å; L400-A1009 HydrophobicContact CB-CB 4.12Å; L400-A1009 HydrophobicContact CD2-CB 4.23Å; L400-E1010 WeakPolarHBondContact O-CB 3.33Å; L400-E1010 PolarHBondContact O-N 3.45Å
401	K	96.9	Very high	94.3	Very high	138 Å²	138	63.4 Å²	63.4	60%	0.6	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-76.2	154	179.7	-65.5	-171.1	178.1	-175	0	113.1	P399 K1001 E1010	P399-K401 PolarHBondContact O-N 2.83Å; K401-K1001 WeakPolarHBondContact O-CD 3.28Å; K401-E1010 VanDerWaalsContact CA-OE2 3.27Å; K401-E1010 WeakPolarHBondContact CA-OE2 3.45Å
402	A	97	Very high	94.6	Very high	25 Å²	25	61.4 Å²	61.4	21%	0.207	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-57.8	150.5	176.5	0	0	0	0	0	111.7	K1001 E1010 R1012	A402-K1001 VanDerWaalsContact O-CE 3.25Å; A402-K1001 WeakPolarHBondContact O-CE 3.36Å; A402-E1010 WeakPolarHBondContact CA-O 3.46Å; A402-E1010 HydrophobicContact CB-CB 3.98Å; A402-E1010 VanDerWaalsContact N-CB 3.31Å; A402-E1010 PolarHBondContact N-OE2 2.95Å; A402-R1012 HydrophobicContact CB-CG 4.47Å
403	P	97	Very high	95.1	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-62.9	140.9	177.1	26.4	-33.7	0	0	0	111.4	T405 I987 L999 K1001 R1012	P403-T405 VanDerWaalsContact C-N 3.33Å; P403-I987 HydrophobicContact CB-CG2 4.02Å; P403-L999 HydrophobicContact CB-CD2 4.35Å; P403-L999 VanDerWaalsContact CD-O 3.26Å; P403-L999 WeakPolarHBondContact CD-O 3.04Å; P403-L999 HydrophobicContact CG-CB 4.19Å; P403-L999 HydrophobicContact CG-CD2 3.81Å; P403-L999 HydrophobicContact CG-CG 3.86Å; P403-L999 WeakPolarHBondContact CG-O 3.39Å; P403-K1001 HydrophobicContact CB-CG 3.99Å; P403-R1012 HydrophobicContact CG-CG 4.48Å; P403-R1012 PolarHBondContact O-NE 2.88Å; P403-R1012 PolarHBondContact O-NH2 3.36Å
404	D	96.2	Very high	95.4	Very high	112 Å²	112	46.1 Å²	46.1	60%	0.599	25%	0.248	S	C	*	.	S	Bend	trans	-66.7	-41.7	173.8	-58.3	-83.5	0	0	0	109.5	K1001 R1012	D404-K1001 WeakPolarHBondContact OD2-CE 3.26Å; D404-K1001 IonicContact OD2-NZ 3.28Å; D404-K1001 PolarHBondContact OD2-NZ 2.98Å; D404-R1012 PolarHBondContact O-NH2 3.39Å
405	T	96.9	Very high	95.7	Very high	17 Å²	17	45.2 Å²	45.2	10%	0.104	24%	0.244	C	C	.	.			trans	-50	145.3	166.2	-46.3	0	0	0	0	113	P403 I987 R1012 V1048 C1049 I1050	P403-T405 VanDerWaalsContact C-N 3.33Å; T405-I987 HydrophobicContact CG2-CD1 4.11Å; T405-R1012 WeakPolarHBondContact O-CD 3.43Å; T405-R1012 PolarHBondContact O-NE 2.9Å; T405-V1048 HydrophobicContact CG2-CG1 3.67Å; T405-C1049 CarbonylContact C-O 3.57Å; T405-C1049 WeakPolarHBondContact CA-O 3.09Å; T405-C1049 WeakPolarHBondContact CG2-O 3.44Å; T405-I1050 HydrophobicContact CG2-CG1 4.15Å
406	T	97.8	Very high	96	Very high	46 Å²	46	42.7 Å²	42.7	28%	0.282	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	162.2	-178.8	51.5	0	0	0	0	111.7	Y1014 C1049	T406-Y1014 WeakPolarHBondContact CA-OH 3.23Å; T406-C1049 PolarHBondContact N-O 2.83Å; T406-C1049 PolarHBondContact O-N 2.73Å; T406-C1049 WeakPolarHBondContact OG1-CB 3.48Å; T406-C1049 PolarHBondContact OG1-O 2.97Å; T406-C1049 VanDerWaalsContact OG1-O 3.14Å
407	L	98.1	Very high	96.2	Very high	11 Å²	11	40.7 Å²	40.7	6%	0.058	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	139.4	164.1	-58.6	-177.2	0	0	0	109.3	V997 L999 Y1014 L1033 W1046 E1047 V1048	L407-V997 HydrophobicContact CD1-CG1 3.9Å; L407-L999 HydrophobicContact CD2-CD1 4.38Å; L407-L999 HydrophobicContact CD2-CD2 4.38Å; L407-L999 HydrophobicContact CG-CD1 4.48Å; L407-L999 HydrophobicContact CG-CD2 4.26Å; L407-Y1014 HydrophobicContact CB-CD1 4.17Å; L407-Y1014 HydrophobicContact CB-CD2 4.21Å; L407-Y1014 HydrophobicContact CB-CE1 3.79Å; L407-Y1014 HydrophobicContact CB-CE2 3.83Å; L407-Y1014 HydrophobicContact CB-CG 4.37Å; L407-Y1014 HydrophobicContact CD1-CD2 3.86Å; L407-Y1014 HydrophobicContact CD1-CE2 3.73Å; L407-Y1014 HydrophobicContact CG-CD2 4.31Å; L407-Y1014 HydrophobicContact CG-CE2 3.77Å; L407-Y1014 PolarHBondContact N-OH 3.47Å; L407-Y1014 WeakPolarHBondContact O-CE1 3.3Å; L407-L1033 HydrophobicContact CD1-CD2 3.64Å; L407-L1033 HydrophobicContact CD2-CB 4.48Å; L407-W1046 HydrophobicContact CB-CB 4.13Å; L407-W1046 HydrophobicContact CB-CE3 4.37Å; L407-W1046 HydrophobicContact CD1-CB 4.34Å; L407-W1046 HydrophobicContact CD1-CG 4.35Å; L407-W1046 HydrophobicContact CD2-CB 4.43Å; L407-E1047 WeakPolarHBondContact CA-O 3.29Å; L407-V1048 HydrophobicContact CD2-CG2 3.85Å
408	K	97.4	Very high	96.5	Very high	114 Å²	114	40.4 Å²	40.4	50%	0.496	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.8	170.9	166.4	176.4	158.2	-115.8	0	108.1	E410 W1046 E1047	K408-E410 PolarHBondContact O-N 3.07Å; K408-W1046 CarbonylContact O-C 3.59Å; K408-W1046 VanDerWaalsContact O-CA 3.3Å; K408-W1046 WeakPolarHBondContact O-CA 3.5Å; K408-E1047 HydrophobicContact CB-CB 4.44Å; K408-E1047 PolarHBondContact N-O 3.47Å; K408-E1047 IonicContact NZ-OE2 2.73Å; K408-E1047 PolarHBondContact NZ-OE2 3.29Å; K408-E1047 PolarHBondContact O-N 2.86Å
409	L	98.2	Very high	96.4	Very high	19 Å²	19	38.4 Å²	38.4	10%	0.099	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	126.4	174.1	-174.4	68.9	0	0	0	109.1	I412 H452 L454 L1044 W1046	L409-I412 HydrophobicContact CD1-CG1 4.25Å; L409-I412 HydrophobicContact CD2-CD1 4Å; L409-I412 HydrophobicContact CD2-CG1 4.1Å; L409-H452 HydrophobicContact CD2-CB 3.83Å; L409-H452 VanDerWaalsContact CD2-CG 3.45Å; L409-L454 HydrophobicContact CB-CD1 4.47Å; L409-L454 HydrophobicContact CD2-CD1 4.14Å; L409-L454 HydrophobicContact CD2-CD2 3.69Å; L409-L454 HydrophobicContact CD2-CG 4.47Å; L409-L1044 HydrophobicContact CD1-CB 4.05Å; L409-L1044 HydrophobicContact CD1-CD2 4.39Å; L409-L1044 HydrophobicContact CD1-CG 3.94Å; L409-W1046 HydrophobicContact CB-CE3 3.89Å; L409-W1046 HydrophobicContact CB-CZ3 3.92Å; L409-W1046 HydrophobicContact CD1-CD2 4.12Å; L409-W1046 HydrophobicContact CD1-CE3 3.96Å; L409-W1046 HydrophobicContact CD1-CH2 4.3Å; L409-W1046 HydrophobicContact CD1-CZ2 4.45Å; L409-W1046 HydrophobicContact CD1-CZ3 4.05Å; L409-W1046 HydrophobicContact CG-CZ3 4.5Å
410	E	97.3	Very high	96.6	Very high	39 Å²	39	34.7 Å²	34.7	18%	0.182	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-40.8	-179.1	-175	-168.4	-170.8	0	0	110.8	K408 K764 R1032 Q1045 E1047	K408-E410 PolarHBondContact O-N 3.07Å; E410-K764 VanDerWaalsContact OE1-CE 3.25Å; E410-K764 WeakPolarHBondContact OE1-CE 3.35Å; E410-K764 IonicContact OE1-NZ 2.76Å; E410-K764 PolarHBondContact OE1-NZ 3.04Å; E410-K764 IonicContact OE2-NZ 3.65Å; E410-R1032 IonicContact OE1-CZ 2.84Å; E410-R1032 IonicContact OE1-NE 2.76Å; E410-R1032 PolarHBondContact OE1-NE 2.77Å; E410-R1032 IonicContact OE1-NH2 3.22Å; E410-R1032 PolarHBondContact OE1-NH2 3.32Å; E410-R1032 IonicContact OE2-CZ 2.97Å; E410-R1032 IonicContact OE2-NE 3.73Å; E410-R1032 PolarHBondContact OE2-NE 2.88Å; E410-R1032 IonicContact OE2-NH2 3.66Å; E410-R1032 PolarHBondContact OE2-NH2 3.31Å; E410-Q1045 PolarHBondContact N-O 3.02Å; E410-Q1045 PolarHBondContact OE2-NE2 3.03Å; E410-E1047 HydrophobicContact CB-CB 4.42Å
411	W	98.2	Very high	96.6	Very high	4 Å²	4	37 Å²	37	2%	0.015	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	152.6	-175.4	-158.3	-99.9	0	0	0	112.8	Y413 Y443 Q448 Q450 M728 K764 Q1045	W411-Y413 AromaticContact CD1-CD1 4Å; W411-Y413 AromaticContact CD1-CD2 3.8Å; W411-Y413 AromaticContact CD1-CE2 3.77Å; W411-Y413 AromaticContact CD1-CG 3.93Å; W411-Y413 AromaticContact CD1-CZ 3.91Å; W411-Y443 AromaticContact CH2-CD2 3.99Å; W411-Y443 HydrophobicContact CH2-CD2 3.99Å; W411-Y443 AromaticContact CH2-CE2 3.71Å; W411-Y443 HydrophobicContact CH2-CE2 3.71Å; W411-Y443 HydrophobicContact CZ2-CE2 4.19Å; W411-Q448 WeakPolarHBondContact CZ3-O 3.27Å; W411-Q450 HydrophobicContact CD2-CB 4.49Å; W411-Q450 VanDerWaalsContact CD2-CD 3.48Å; W411-Q450 HydrophobicContact CD2-CG 3.96Å; W411-Q450 HydrophobicContact CE3-CB 3.85Å; W411-Q450 HydrophobicContact CE3-CG 3.61Å; W411-Q450 HydrophobicContact CH2-CG 3.9Å; W411-Q450 HydrophobicContact CZ2-CG 4.19Å; W411-Q450 HydrophobicContact CZ3-CB 4.02Å; W411-Q450 HydrophobicContact CZ3-CG 3.59Å; W411-M728 HydrophobicContact CZ2-CE 4.14Å; W411-K764 HydrophobicContact CB-CD 3.79Å; W411-K764 HydrophobicContact CD2-CB 3.75Å; W411-K764 HydrophobicContact CD2-CD 3.87Å; W411-K764 HydrophobicContact CD2-CG 3.66Å; W411-K764 VanDerWaalsContact CE2-CB 3.48Å; W411-K764 HydrophobicContact CE3-CB 4.24Å; W411-K764 HydrophobicContact CE3-CD 4.17Å; W411-K764 HydrophobicContact CE3-CG 3.77Å; W411-K764 HydrophobicContact CG-CB 4.13Å; W411-K764 HydrophobicContact CG-CD 3.71Å; W411-K764 HydrophobicContact CG-CG 4.04Å; W411-K764 HydrophobicContact CH2-CB 4.19Å; W411-K764 HydrophobicContact CH2-CG 4.35Å; W411-K764 HydrophobicContact CZ2-CB 3.73Å; W411-K764 HydrophobicContact CZ2-CG 4.3Å; W411-K764 HydrophobicContact CZ3-CB 4.42Å; W411-K764 HydrophobicContact CZ3-CG 4.1Å; W411-Q1045 HydrophobicContact CB-CB 4.24Å; W411-Q1045 PolarHBondContact N-O 3.03Å; W411-Q1045 PolarHBondContact O-N 3.33Å
412	I	98.2	Very high	96.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129	166.8	-62.9	-169.5	0	0	0	108.9	L409 V436 V439 V441 Q450 A1042 V1043 L1044	L409-I412 HydrophobicContact CD1-CG1 4.25Å; L409-I412 HydrophobicContact CD2-CD1 4Å; L409-I412 HydrophobicContact CD2-CG1 4.1Å; I412-V436 HydrophobicContact CG2-CG1 3.44Å; I412-V436 VanDerWaalsContact CG2-CG1 3.44Å; I412-V439 HydrophobicContact CD1-CB 3.64Å; I412-V439 HydrophobicContact CD1-CG1 3.55Å; I412-V439 HydrophobicContact CD1-CG2 3.74Å; I412-V441 HydrophobicContact CB-CG2 4.22Å; I412-V441 HydrophobicContact CD1-CG2 4.22Å; I412-V441 HydrophobicContact CG2-CG2 4.45Å; I412-Q450 PolarHBondContact O-NE2 2.88Å; I412-A1042 HydrophobicContact CG2-CB 4.47Å; I412-V1043 WeakPolarHBondContact CA-O 3.34Å; I412-L1044 HydrophobicContact CB-CD1 4.45Å; I412-L1044 HydrophobicContact CD1-CD1 3.89Å; I412-L1044 HydrophobicContact CD1-CG 4.06Å; I412-L1044 HydrophobicContact CG1-CD1 3.87Å; I412-L1044 HydrophobicContact CG1-CG 3.93Å; I412-L1044 HydrophobicContact CG2-CD1 4.02Å
413	Y	97.4	Very high	96.4	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.2	168.4	-52.8	-101.6	0	0	0	109.3	W411 F747 W759 D760 K764 V1043 Q1045	W411-Y413 AromaticContact CD1-CD1 4Å; W411-Y413 AromaticContact CD1-CD2 3.8Å; W411-Y413 AromaticContact CD1-CE2 3.77Å; W411-Y413 AromaticContact CD1-CG 3.93Å; W411-Y413 AromaticContact CD1-CZ 3.91Å; Y413-F747 HydrophobicContact CD2-CZ 4.32Å; Y413-F747 HydrophobicContact CE2-CE1 4.3Å; Y413-F747 AromaticContact CE2-CZ 3.71Å; Y413-F747 HydrophobicContact CE2-CZ 3.71Å; Y413-F747 AromaticContact CZ-CZ 3.89Å; Y413-W759 HydrophobicContact CD1-CD2 4.21Å; Y413-W759 AromaticContact CD1-CE3 3.39Å; Y413-W759 HydrophobicContact CD1-CE3 3.39Å; Y413-W759 HydrophobicContact CD1-CH2 4.2Å; Y413-W759 AromaticContact CD1-CZ3 3.39Å; Y413-W759 HydrophobicContact CD1-CZ3 3.39Å; Y413-W759 HydrophobicContact CE1-CD2 4.32Å; Y413-W759 AromaticContact CE1-CE3 3.6Å; Y413-W759 HydrophobicContact CE1-CE3 3.6Å; Y413-W759 HydrophobicContact CE1-CZ3 4.07Å; Y413-W759 HydrophobicContact CG-CE3 4.2Å; Y413-W759 HydrophobicContact CG-CH2 4.48Å; Y413-W759 HydrophobicContact CG-CZ3 4.08Å; Y413-D760 PolarHBondContact OH-O 3.48Å; Y413-D760 VanDerWaalsContact OH-O 3.08Å; Y413-K764 VanDerWaalsContact CE1-O 3.27Å; Y413-K764 WeakPolarHBondContact CE1-O 3.24Å; Y413-V1043 HydrophobicContact CD2-CB 4.14Å; Y413-V1043 HydrophobicContact CD2-CG1 4.31Å; Y413-V1043 PolarHBondContact N-O 3.36Å; Y413-V1043 PolarHBondContact O-N 3.29Å; Y413-Q1045 HydrophobicContact CE2-CB 4.18Å; Y413-Q1045 PolarHBondContact OH-OE1 3.41Å
414	G	95.5	Very high	96.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.161	C	C	.	.			trans	109	156.2	179.6	0	0	0	0	0	114.7	F729	G414-F729 WeakPolarHBondContact CA-O 3.49Å; G414-F729 PolarHBondContact N-O 3.27Å
415	Y	97.6	Very high	96.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.141	C	C	.	.			trans	-141.2	135.6	178	149.8	-104.2	0	0	0	109.3	G417 N423 L424 Y434 T697 N713 M714 I715	Y415-G417 PolarHBondContact O-N 3.38Å; Y415-N423 PolarHBondContact OH-OD1 3.13Å; Y415-L424 HydrophobicContact CE2-CB 4.33Å; Y415-Y434 AromaticContact CD2-CD2 3.91Å; Y415-Y434 HydrophobicContact CD2-CD2 3.91Å; Y415-Y434 HydrophobicContact CD2-CG 4.21Å; Y415-T697 VanDerWaalsContact OH-CG2 3.25Å; Y415-T697 WeakPolarHBondContact OH-CG2 3.27Å; Y415-N713 PolarHBondContact N-O 2.94Å; Y415-N713 WeakPolarHBondContact O-CA 3.42Å; Y415-N713 WeakPolarHBondContact O-CB 3.49Å; Y415-N713 PolarHBondContact O-OD1 3.26Å; Y415-N713 VanDerWaalsContact O-OD1 3.06Å; Y415-M714 WeakPolarHBondContact CD1-O 3.47Å; Y415-I715 HydrophobicContact CD1-CG1 3.84Å; Y415-I715 HydrophobicContact CD2-CD1 4.2Å; Y415-I715 HydrophobicContact CD2-CG1 4.25Å; Y415-I715 HydrophobicContact CG-CD1 3.95Å; Y415-I715 HydrophobicContact CG-CG1 3.64Å
416	R	97.5	Very high	96.4	Very high	21 Å²	21	32 Å²	32	8%	0.079	15%	0.147	C	C	.	.			trans	-82.1	75.8	-176	-166.9	173.5	-174.1	149.3	2.8	113.3	D419 C420 N423 F435 V436 D459	R416-D419 WeakPolarHBondContact CG-OD1 3.42Å; R416-D419 IonicContact CZ-OD1 2.73Å; R416-D419 IonicContact CZ-OD2 3.46Å; R416-D419 IonicContact NE-OD1 3.39Å; R416-D419 PolarHBondContact NE-OD1 2.67Å; R416-D419 IonicContact NE-OD2 3.18Å; R416-D419 PolarHBondContact NE-OD2 2.68Å; R416-D419 IonicContact NH2-OD1 3.95Å; R416-D419 IonicContact NH2-OD2 3.12Å; R416-D419 PolarHBondContact NH2-OD2 2.58Å; R416-C420 HydrophobicContact CG-CB 4.21Å; R416-C420 PolarHBondContact NE-SG 3.41Å; R416-C420 VanDerWaalsContact NE-SG 3.4Å; R416-N423 PolarHBondContact O-ND2 2.94Å; R416-F435 HydrophobicContact CB-CD2 4.27Å; R416-F435 HydrophobicContact CB-CE2 4.43Å; R416-F435 VanDerWaalsContact CB-O 3.31Å; R416-F435 WeakPolarHBondContact CB-O 3.28Å; R416-F435 PolarHBondContact N-O 3.12Å; R416-V436 HydrophobicContact CB-CB 4.42Å; R416-V436 HydrophobicContact CB-CG2 4.34Å; R416-D459 IonicContact CZ-OD1 3.53Å; R416-D459 IonicContact CZ-OD2 3.47Å; R416-D459 VanDerWaalsContact CZ-OD2 3.31Å; R416-D459 IonicContact NH1-OD1 3.58Å; R416-D459 PolarHBondContact NH1-OD1 1.82Å; R416-D459 IonicContact NH1-OD2 2.66Å; R416-D459 PolarHBondContact NH1-OD2 2.86Å; R416-D459 IonicContact NH2-OD1 2.73Å; R416-D459 IonicContact NH2-OD2 3.2Å; R416-D459 PolarHBondContact NH2-OD2 2.87Å
417	G	95.8	Very high	96.3	Very high	0 Å²	0	30 Å²	30	0%	0	13%	0.134	C	C	.	.			trans	-95.8	-20.8	177.5	0	0	0	0	0	115.2	Y415 R696 T710 N713	Y415-G417 PolarHBondContact O-N 3.38Å; G417-R696 WeakPolarHBondContact O-CG 3.5Å; G417-R696 PolarHBondContact O-NE 3.34Å; G417-T710 CarbonylContact C-O 3.53Å; G417-T710 WeakPolarHBondContact CA-O 3.43Å; G417-N713 PolarHBondContact N-OD1 3.3Å
418	R	94.5	Very high	96	Very high	87 Å²	87	34.3 Å²	34.3	33%	0.328	16%	0.163	S	C	.	.	S	Bend	trans	-60.1	-55.4	-176.7	178.9	172.9	171.6	126.7	-4.5	113.7	R696 N713 F732 E733	R418-R696 PolarHBondContact O-NH2 3.1Å; R418-N713 WeakPolarHBondContact CB-OD1 3.36Å; R418-N713 PolarHBondContact N-OD1 3.12Å; R418-F732 WeakPolarHBondContact CD-O 3.38Å; R418-F732 PolarHBondContact NH1-O 2.93Å; R418-E733 VanDerWaalsContact CZ-CD 3.44Å; R418-E733 IonicContact CZ-OE1 3.47Å; R418-E733 IonicContact CZ-OE2 2.79Å; R418-E733 IonicContact NH1-OE1 2.85Å; R418-E733 PolarHBondContact NH1-OE1 2.78Å; R418-E733 IonicContact NH1-OE2 2.81Å; R418-E733 PolarHBondContact NH1-OE2 3.38Å; R418-E733 VanDerWaalsContact NH2-CD 3.26Å; R418-E733 IonicContact NH2-OE1 3.24Å; R418-E733 PolarHBondContact NH2-OE1 3.08Å; R418-E733 IonicContact NH2-OE2 3.59Å; R418-E733 PolarHBondContact NH2-OE2 3.36Å
419	D	91.5	Very high	95.7	Very high	57 Å²	57	32.4 Å²	32.4	31%	0.305	16%	0.161	S	C	.	.	S	Bend	trans	-106.9	-29	-173.1	71.2	-33.6	0	0	0	114.3	R416 R421 K461	R416-D419 WeakPolarHBondContact CG-OD1 3.42Å; R416-D419 IonicContact CZ-OD1 2.73Å; R416-D419 IonicContact CZ-OD2 3.46Å; R416-D419 IonicContact NE-OD1 3.39Å; R416-D419 PolarHBondContact NE-OD1 2.67Å; R416-D419 IonicContact NE-OD2 3.18Å; R416-D419 PolarHBondContact NE-OD2 2.68Å; R416-D419 IonicContact NH2-OD1 3.95Å; R416-D419 IonicContact NH2-OD2 3.12Å; R416-D419 PolarHBondContact NH2-OD2 2.58Å; D419-R421 PolarHBondContact O-NH2 3.4Å; D419-K461 IonicContact OD2-NZ 3.53Å; D419-K461 PolarHBondContact OD2-NZ 2.73Å
420	C	95.1	Very high	95.4	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.02	16%	0.163	C	C	.	.			trans	-92	169.9	-178.3	-62.7	0	0	0	0	112.5	R416 F435 R696	R416-C420 HydrophobicContact CG-CB 4.21Å; R416-C420 PolarHBondContact NE-SG 3.41Å; R416-C420 VanDerWaalsContact NE-SG 3.4Å; C420-F435 HydrophobicContact CB-CE2 3.88Å; C420-F435 HydrophobicContact CB-CZ 4.11Å; C420-R696 WeakPolarHBondContact O-CD 3.38Å; C420-R696 WeakPolarHBondContact O-CG 3.32Å; C420-R696 PolarHBondContact O-NE 2.87Å; C420-R696 VanDerWaalsContact O-NE 3.09Å
421	R	94.8	Very high	95.4	Very high	81 Å²	81	30.8 Å²	30.8	31%	0.306	16%	0.157	S	C	.	.			trans	-155.9	164	-176.7	71.3	-155.5	79.2	97.2	4.6	111.6	D419 N423 T559	D419-R421 PolarHBondContact O-NH2 3.4Å; R421-N423 WeakPolarHBondContact CA-OD1 3.38Å; R421-N423 PolarHBondContact O-N 3.31Å; R421-T559 WeakPolarHBondContact CD-O 3.27Å; R421-T559 PolarHBondContact NH1-O 2.99Å; R421-T559 VanDerWaalsContact NH1-O 3.15Å
422	N	92.4	Very high	95.4	Very high	93 Å²	93	30.6 Å²	30.6	50%	0.497	16%	0.156	S	C	.	.	S	Bend	trans	51.1	38.5	-176.9	-162	11	0	0	0	113	H425	N422-H425 PolarHBondContact O-NE2 3Å; N422-H425 PolarHBondContact OD1-CE1 3.18Å; N422-H425 VanDerWaalsContact OD1-CE1 3.31Å
423	N	97.6	Very high	95.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.			trans	-127.3	28.4	-165.1	65.3	-37.1	0	0	0	113.8	Y415 R416 R421 Y434 F435 I463	Y415-N423 PolarHBondContact OH-OD1 3.13Å; R416-N423 PolarHBondContact O-ND2 2.94Å; R421-N423 WeakPolarHBondContact CA-OD1 3.38Å; R421-N423 PolarHBondContact O-N 3.31Å; N423-Y434 WeakPolarHBondContact O-CA 3.5Å; N423-Y434 VanDerWaalsContact O-CB 3.26Å; N423-Y434 WeakPolarHBondContact O-CB 3.34Å; N423-F435 HydrophobicContact CB-CD1 4.11Å; N423-F435 HydrophobicContact CB-CE1 3.37Å; N423-F435 HydrophobicContact CB-CE2 4.17Å; N423-F435 HydrophobicContact CB-CZ 3.39Å; N423-I463 HydrophobicContact CB-CG2 4.21Å
424	L	97.8	Very high	95.4	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	112.3	174.7	179.6	59.5	0	0	0	107.7	Y415 L432 I433 Y434 T697 T699 I707 I715	Y415-L424 HydrophobicContact CE2-CB 4.33Å; L424-L432 HydrophobicContact CD1-CB 4.45Å; L424-L432 HydrophobicContact CD1-CD2 4.21Å; L424-I433 WeakPolarHBondContact CA-O 3.45Å; L424-Y434 HydrophobicContact CD1-CD1 3.95Å; L424-Y434 HydrophobicContact CD1-CG 4.2Å; L424-T697 HydrophobicContact CB-CG2 3.7Å; L424-T697 HydrophobicContact CD2-CG2 4.08Å; L424-T699 HydrophobicContact CG-CG2 4.31Å; L424-I707 HydrophobicContact CD2-CG2 3.91Å; L424-I707 HydrophobicContact CG-CG2 4.33Å; L424-I715 HydrophobicContact CD1-CD1 3.87Å; L424-I715 HydrophobicContact CD2-CD1 4.4Å; L424-I715 HydrophobicContact CD2-CG1 4.14Å; L424-I715 HydrophobicContact CD2-CG2 4.1Å
425	H	97	Very high	95.6	Very high	41 Å²	41	30.5 Å²	30.5	19%	0.19	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150.1	-176.3	-58.2	-98	0	0	0	109.7	N422 L432 I433 I465	N422-H425 PolarHBondContact O-NE2 3Å; N422-H425 PolarHBondContact OD1-CE1 3.18Å; N422-H425 VanDerWaalsContact OD1-CE1 3.31Å; H425-L432 WeakPolarHBondContact O-CA 3.46Å; H425-I433 HydrophobicContact CB-CG2 3.81Å; H425-I433 PolarHBondContact N-O 2.66Å; H425-I433 PolarHBondContact O-N 2.76Å; H425-I465 HydrophobicContact CB-CG1 4.18Å
426	Y	95.2	Very high	95.6	Very high	54 Å²	54	30.6 Å²	30.6	21%	0.212	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	130.3	171.5	-172.4	-111.3	0	0	0	110.6	G430 L432 Q700 P702	Y426-G430 WeakPolarHBondContact CE2-O 3.21Å; Y426-L432 HydrophobicContact CD2-CD2 3.93Å; Y426-L432 HydrophobicContact CD2-CG 4.35Å; Y426-Q700 WeakPolarHBondContact CB-O 3.45Å; Y426-P702 HydrophobicContact CE1-CB 4.42Å
427	L	95.3	Very high	95.6	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.016	15%	0.152	C	C	.	.			trans	-96.5	150.8	179.3	-63.9	-179	0	0	0	111.5	T429 G430 E431 I433 L442 I465	L427-T429 WeakPolarHBondContact CB-OG1 3.44Å; L427-T429 PolarHBondContact O-N 3.45Å; L427-G430 PolarHBondContact O-N 2.85Å; L427-E431 WeakPolarHBondContact CB-O 3.32Å; L427-E431 HydrophobicContact CD1-CB 4.42Å; L427-E431 PolarHBondContact N-O 2.73Å; L427-I433 HydrophobicContact CD1-CB 4.03Å; L427-I433 HydrophobicContact CD1-CD1 4.33Å; L427-I433 HydrophobicContact CD1-CG2 4.07Å; L427-I433 HydrophobicContact CD2-CG2 3.91Å; L427-I433 HydrophobicContact CG-CB 4.22Å; L427-I433 HydrophobicContact CG-CG2 3.79Å; L427-L442 HydrophobicContact CD1-CD2 4.2Å; L427-I465 HydrophobicContact CD2-CD1 4.33Å; L427-I465 HydrophobicContact CD2-CG2 4.29Å
428	P	91.4	Very high	95.7	Very high	103 Å²	103	29.6 Å²	29.6	67%	0.669	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-8	174.2	-23.3	34.8	0	0	0	115.2	G430 R469	P428-G430 VanDerWaalsContact C-N 3.3Å; P428-R469 HydrophobicContact CG-CB 3.71Å; P428-R469 HydrophobicContact CG-CG 4.03Å
429	T	91.9	Very high	95.9	Very high	73 Å²	73	25.5 Å²	25.5	45%	0.448	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-7.7	173.2	49.9	0	0	0	0	113.9	L427 E431	L427-T429 WeakPolarHBondContact CB-OG1 3.44Å; L427-T429 PolarHBondContact O-N 3.45Å; T429-E431 WeakPolarHBondContact CB-OE2 3.28Å; T429-E431 PolarHBondContact OG1-OE2 3.16Å
430	G	92.1	Very high	96.3	Very high	15 Å²	15	22.8 Å²	22.8	16%	0.155	12%	0.123	C	C	.	.	S	Bend	trans	91.8	-4.1	-170.5	0	0	0	0	0	113.9	Y426 L427 P428	Y426-G430 WeakPolarHBondContact CE2-O 3.21Å; L427-G430 PolarHBondContact O-N 2.85Å; P428-G430 VanDerWaalsContact C-N 3.3Å
431	E	96.6	Very high	96.4	Very high	9 Å²	9	22.6 Å²	22.6	4%	0.042	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	132.8	-175.5	-61.9	169.1	112.7	0	0	112.2	L427 T429 L442 Y443 N444 R451	L427-E431 WeakPolarHBondContact CB-O 3.32Å; L427-E431 HydrophobicContact CD1-CB 4.42Å; L427-E431 PolarHBondContact N-O 2.73Å; T429-E431 WeakPolarHBondContact CB-OE2 3.28Å; T429-E431 PolarHBondContact OG1-OE2 3.16Å; E431-L442 HydrophobicContact CB-CB 4.37Å; E431-L442 WeakPolarHBondContact OE1-CB 3.38Å; E431-Y443 CarbonylContact C-O 3.48Å; E431-Y443 WeakPolarHBondContact CA-O 3.25Å; E431-N444 HydrophobicContact CG-CB 4.24Å; E431-R451 VanDerWaalsContact CD-NH2 3.26Å; E431-R451 IonicContact OE1-CZ 2.68Å; E431-R451 IonicContact OE1-NE 3.96Å; E431-R451 PolarHBondContact OE1-NE 2.65Å; E431-R451 IonicContact OE1-NH2 3.38Å; E431-R451 PolarHBondContact OE1-NH2 3.15Å; E431-R451 IonicContact OE2-NH2 3.36Å; E431-R451 PolarHBondContact OE2-NH2 3.31Å
432	L	97.4	Very high	96.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	126.8	158.6	-74.2	173.9	0	0	0	109.5	L424 H425 Y426 Y434 L442 Y443 I445 T699 I707 I715 L727	L424-L432 HydrophobicContact CD1-CB 4.45Å; L424-L432 HydrophobicContact CD1-CD2 4.21Å; H425-L432 WeakPolarHBondContact O-CA 3.46Å; Y426-L432 HydrophobicContact CD2-CD2 3.93Å; Y426-L432 HydrophobicContact CD2-CG 4.35Å; L432-Y434 HydrophobicContact CB-CD1 4.39Å; L432-L442 CarbonylContact O-C 3.3Å; L432-L442 WeakPolarHBondContact O-CA 3.46Å; L432-Y443 PolarHBondContact N-O 3.38Å; L432-Y443 PolarHBondContact O-N 3.46Å; L432-I445 HydrophobicContact CD1-CD1 3.72Å; L432-I445 HydrophobicContact CD1-CG1 4.03Å; L432-I445 HydrophobicContact CG-CD1 4.02Å; L432-I445 HydrophobicContact CG-CG1 4.31Å; L432-T699 HydrophobicContact CD2-CG2 4.48Å; L432-I707 HydrophobicContact CD1-CG2 3.89Å; L432-I707 HydrophobicContact CD2-CB 4.31Å; L432-I707 HydrophobicContact CD2-CG1 4.18Å; L432-I707 HydrophobicContact CD2-CG2 3.83Å; L432-I715 HydrophobicContact CD1-CG2 4.49Å; L432-L727 HydrophobicContact CD1-CD1 4.18Å
433	I	98.4	Very high	96.9	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.7	173.6	-170.7	171.7	0	0	0	110.9	L424 H425 L427 V440 V441 L442 I463 I465 V472 W492	L424-I433 WeakPolarHBondContact CA-O 3.45Å; H425-I433 HydrophobicContact CB-CG2 3.81Å; H425-I433 PolarHBondContact N-O 2.66Å; H425-I433 PolarHBondContact O-N 2.76Å; L427-I433 HydrophobicContact CD1-CB 4.03Å; L427-I433 HydrophobicContact CD1-CD1 4.33Å; L427-I433 HydrophobicContact CD1-CG2 4.07Å; L427-I433 HydrophobicContact CD2-CG2 3.91Å; L427-I433 HydrophobicContact CG-CB 4.22Å; L427-I433 HydrophobicContact CG-CG2 3.79Å; I433-V440 HydrophobicContact CD1-CG1 4.07Å; I433-V440 HydrophobicContact CG1-CG1 3.74Å; I433-V441 WeakPolarHBondContact CA-O 3.43Å; I433-L442 HydrophobicContact CD1-CD2 4.44Å; I433-L442 HydrophobicContact CD1-CG 4.31Å; I433-L442 HydrophobicContact CG1-CG 4.28Å; I433-I463 HydrophobicContact CD1-CD1 3.79Å; I433-I463 HydrophobicContact CG1-CD1 3.8Å; I433-I465 HydrophobicContact CD1-CD1 4.39Å; I433-I465 HydrophobicContact CG2-CD1 3.92Å; I433-V472 HydrophobicContact CD1-CG1 4.11Å; I433-V472 HydrophobicContact CD1-CG2 4Å; I433-W492 HydrophobicContact CD1-CH2 3.67Å; I433-W492 HydrophobicContact CD1-CZ2 4.11Å
434	Y	98.6	Very high	96.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	179.5	179	62.2	-87.2	0	0	0	110.7	Y415 N423 L424 L432 V440 V441 Y443 I715	Y415-Y434 AromaticContact CD2-CD2 3.91Å; Y415-Y434 HydrophobicContact CD2-CD2 3.91Å; Y415-Y434 HydrophobicContact CD2-CG 4.21Å; N423-Y434 WeakPolarHBondContact O-CA 3.5Å; N423-Y434 VanDerWaalsContact O-CB 3.26Å; N423-Y434 WeakPolarHBondContact O-CB 3.34Å; L424-Y434 HydrophobicContact CD1-CD1 3.95Å; L424-Y434 HydrophobicContact CD1-CG 4.2Å; L432-Y434 HydrophobicContact CB-CD1 4.39Å; Y434-V440 CarbonylContact O-C 3.56Å; Y434-V440 WeakPolarHBondContact O-CA 3.2Å; Y434-V440 WeakPolarHBondContact O-CG1 3.46Å; Y434-V441 HydrophobicContact CD2-CB 4.25Å; Y434-V441 HydrophobicContact CD2-CG2 4.49Å; Y434-V441 HydrophobicContact CE1-CB 4.16Å; Y434-V441 HydrophobicContact CE1-CG1 4.08Å; Y434-V441 HydrophobicContact CE2-CB 3.87Å; Y434-V441 HydrophobicContact CE2-CG1 4.27Å; Y434-V441 HydrophobicContact CE2-CG2 4Å; Y434-V441 PolarHBondContact N-O 2.87Å; Y434-V441 VanDerWaalsContact N-O 3.08Å; Y434-V441 PolarHBondContact O-N 2.85Å; Y434-Y443 HydrophobicContact CE1-CD1 4.33Å; Y434-I715 HydrophobicContact CD1-CD1 3.78Å; Y434-I715 HydrophobicContact CD2-CD1 4.18Å; Y434-I715 HydrophobicContact CE1-CD1 3.7Å; Y434-I715 HydrophobicContact CE2-CD1 4.1Å; Y434-I715 HydrophobicContact CG-CD1 4.02Å
435	F	98.6	Very high	96.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	156.7	176.5	56.7	-107.9	0	0	0	113.5	R416 C420 N423 V439 V460 K461 I463	R416-F435 HydrophobicContact CB-CD2 4.27Å; R416-F435 HydrophobicContact CB-CE2 4.43Å; R416-F435 VanDerWaalsContact CB-O 3.31Å; R416-F435 WeakPolarHBondContact CB-O 3.28Å; R416-F435 PolarHBondContact N-O 3.12Å; C420-F435 HydrophobicContact CB-CE2 3.88Å; C420-F435 HydrophobicContact CB-CZ 4.11Å; N423-F435 HydrophobicContact CB-CD1 4.11Å; N423-F435 HydrophobicContact CB-CE1 3.37Å; N423-F435 HydrophobicContact CB-CE2 4.17Å; N423-F435 HydrophobicContact CB-CZ 3.39Å; F435-V439 VanDerWaalsContact CA-O 3.24Å; F435-V439 WeakPolarHBondContact CA-O 3.48Å; F435-V439 WeakPolarHBondContact CB-O 3.34Å; F435-V460 HydrophobicContact CB-CB 3.99Å; F435-V460 HydrophobicContact CB-CG1 3.92Å; F435-V460 HydrophobicContact CD1-CB 4.36Å; F435-V460 HydrophobicContact CD1-CG1 3.54Å; F435-V460 HydrophobicContact CD2-CB 4.01Å; F435-V460 HydrophobicContact CD2-CG1 4.04Å; F435-V460 VanDerWaalsContact CD2-O 3.32Å; F435-V460 WeakPolarHBondContact CD2-O 3.47Å; F435-V460 HydrophobicContact CE1-CG1 3.96Å; F435-V460 HydrophobicContact CE2-CG1 4.44Å; F435-V460 WeakPolarHBondContact CE2-O 3.2Å; F435-V460 HydrophobicContact CG-CB 3.89Å; F435-V460 HydrophobicContact CG-CG1 3.58Å; F435-V460 HydrophobicContact CZ-CG1 4.4Å; F435-K461 VanDerWaalsContact CZ-C 3.44Å; F435-K461 WeakPolarHBondContact CZ-O 3.14Å; F435-I463 HydrophobicContact CD1-CB 4.16Å; F435-I463 HydrophobicContact CD1-CG2 4.2Å; F435-I463 HydrophobicContact CE1-CB 3.96Å; F435-I463 HydrophobicContact CE1-CG2 3.83Å
436	V	98.2	Very high	95.9	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	149	168.6	68.9	0	0	0	0	108	I412 R416 A438 V439 A1042	I412-V436 HydrophobicContact CG2-CG1 3.44Å; I412-V436 VanDerWaalsContact CG2-CG1 3.44Å; R416-V436 HydrophobicContact CB-CB 4.42Å; R416-V436 HydrophobicContact CB-CG2 4.34Å; V436-A438 PolarHBondContact O-N 3.07Å; V436-V439 PolarHBondContact N-O 2.82Å; V436-V439 VanDerWaalsContact N-O 3.11Å; V436-V439 PolarHBondContact O-N 3.01Å; V436-V439 VanDerWaalsContact O-O 3.07Å; V436-A1042 HydrophobicContact CG1-CB 4.16Å; V436-A1042 HydrophobicContact CG2-CB 4.07Å
437	A	98.1	Very high	95.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	-132	-171	0	0	0	0	0	113	V439 V460 G1016 S1018 D1040 A1042	A437-V439 VanDerWaalsContact C-N 3.35Å; A437-V460 PolarHBondContact O-N 3.37Å; A437-G1016 VanDerWaalsContact CB-O 3.22Å; A437-G1016 WeakPolarHBondContact CB-O 3.24Å; A437-S1018 WeakPolarHBondContact CA-OG 3.28Å; A437-D1040 HydrophobicContact CB-CB 3.69Å; A437-D1040 WeakPolarHBondContact CB-OD2 3.08Å; A437-A1042 HydrophobicContact CB-CB 4.07Å
438	A	97.8	Very high	95.6	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.008	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	16.8	174.9	0	0	0	0	0	113.4	V436 H456 D458 G1016	V436-A438 PolarHBondContact O-N 3.07Å; A438-H456 WeakPolarHBondContact O-CB 3.08Å; A438-D458 WeakPolarHBondContact CA-O 3.48Å; A438-D458 WeakPolarHBondContact CB-O 3.31Å; A438-G1016 WeakPolarHBondContact CB-O 3.37Å; A438-G1016 PolarHBondContact N-O 2.61Å
439	V	98.6	Very high	95.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.4	-171.5	-173.8	0	0	0	0	112.3	I412 F435 V436 A437 V441 H452 L454 G1016	I412-V439 HydrophobicContact CD1-CB 3.64Å; I412-V439 HydrophobicContact CD1-CG1 3.55Å; I412-V439 HydrophobicContact CD1-CG2 3.74Å; F435-V439 VanDerWaalsContact CA-O 3.24Å; F435-V439 WeakPolarHBondContact CA-O 3.48Å; F435-V439 WeakPolarHBondContact CB-O 3.34Å; V436-V439 PolarHBondContact N-O 2.82Å; V436-V439 VanDerWaalsContact N-O 3.11Å; V436-V439 PolarHBondContact O-N 3.01Å; V436-V439 VanDerWaalsContact O-O 3.07Å; A437-V439 VanDerWaalsContact C-N 3.35Å; V439-V441 HydrophobicContact CG1-CG2 4.34Å; V439-H452 HydrophobicContact CG1-CB 3.9Å; V439-L454 HydrophobicContact CB-CD2 4.18Å; V439-L454 HydrophobicContact CG1-CD2 3.64Å; V439-L454 HydrophobicContact CG2-CD2 3.5Å; V439-L454 VanDerWaalsContact CG2-CD2 3.5Å; V439-G1016 VanDerWaalsContact CG2-CA 3.45Å; V439-G1016 WeakPolarHBondContact CG2-O 3.48Å
440	V	98.8	Very high	96.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	124.3	161.4	-159.1	0	0	0	0	108.5	I433 Y434 H452 Y453 V460 I463 T474 W492	I433-V440 HydrophobicContact CD1-CG1 4.07Å; I433-V440 HydrophobicContact CG1-CG1 3.74Å; Y434-V440 CarbonylContact O-C 3.56Å; Y434-V440 WeakPolarHBondContact O-CA 3.2Å; Y434-V440 WeakPolarHBondContact O-CG1 3.46Å; V440-H452 WeakPolarHBondContact O-CA 3.29Å; V440-Y453 HydrophobicContact CG2-CD1 3.95Å; V440-Y453 PolarHBondContact N-O 3.18Å; V440-Y453 PolarHBondContact O-N 2.66Å; V440-V460 HydrophobicContact CG2-CG2 4.45Å; V440-I463 HydrophobicContact CG1-CD1 3.94Å; V440-T474 HydrophobicContact CG2-CG2 3.84Å; V440-W492 HydrophobicContact CB-CH2 4.14Å; V440-W492 HydrophobicContact CB-CZ2 3.9Å; V440-W492 HydrophobicContact CG1-CH2 4.01Å; V440-W492 HydrophobicContact CG1-CZ2 3.83Å; V440-W492 HydrophobicContact CG2-CZ2 3.88Å
441	V	98.6	Very high	96.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	132.8	179	-173.8	0	0	0	0	108.6	I412 I433 Y434 V439 Q450	I412-V441 HydrophobicContact CB-CG2 4.22Å; I412-V441 HydrophobicContact CD1-CG2 4.22Å; I412-V441 HydrophobicContact CG2-CG2 4.45Å; I433-V441 WeakPolarHBondContact CA-O 3.43Å; Y434-V441 HydrophobicContact CD2-CB 4.25Å; Y434-V441 HydrophobicContact CD2-CG2 4.49Å; Y434-V441 HydrophobicContact CE1-CB 4.16Å; Y434-V441 HydrophobicContact CE1-CG1 4.08Å; Y434-V441 HydrophobicContact CE2-CB 3.87Å; Y434-V441 HydrophobicContact CE2-CG1 4.27Å; Y434-V441 HydrophobicContact CE2-CG2 4Å; Y434-V441 PolarHBondContact N-O 2.87Å; Y434-V441 VanDerWaalsContact N-O 3.08Å; Y434-V441 PolarHBondContact O-N 2.85Å; V439-V441 HydrophobicContact CG1-CG2 4.34Å; V441-Q450 HydrophobicContact CG1-CB 4.36Å; V441-Q450 HydrophobicContact CG1-CG 3.77Å
442	L	98.5	Very high	96.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	111.1	165.8	-57.6	86.7	0	0	0	106.5	L427 E431 L432 I433 Q450 R451 W492 L497	L427-L442 HydrophobicContact CD1-CD2 4.2Å; E431-L442 HydrophobicContact CB-CB 4.37Å; E431-L442 WeakPolarHBondContact OE1-CB 3.38Å; L432-L442 CarbonylContact O-C 3.3Å; L432-L442 WeakPolarHBondContact O-CA 3.46Å; I433-L442 HydrophobicContact CD1-CD2 4.44Å; I433-L442 HydrophobicContact CD1-CG 4.31Å; I433-L442 HydrophobicContact CG1-CG 4.28Å; L442-Q450 CarbonylContact O-C 3.56Å; L442-Q450 VanDerWaalsContact O-CA 3.3Å; L442-Q450 WeakPolarHBondContact O-CA 3.49Å; L442-R451 HydrophobicContact CB-CB 4.43Å; L442-R451 PolarHBondContact N-O 2.96Å; L442-R451 PolarHBondContact O-N 3.41Å; L442-W492 HydrophobicContact CD1-CH2 4.01Å; L442-W492 HydrophobicContact CD1-CZ3 4.15Å; L442-W492 HydrophobicContact CD2-CZ3 4.48Å; L442-L497 HydrophobicContact CD1-CD2 3.78Å; L442-L497 HydrophobicContact CD2-CD2 4.1Å
443	Y	97.6	Very high	96.5	Very high	1 Å²	1	28.4 Å²	28.4	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	110.7	-173.8	171.2	-155.2	0	0	0	109.8	W411 E431 L432 Y434 I445 Q448 Q450	W411-Y443 AromaticContact CH2-CD2 3.99Å; W411-Y443 HydrophobicContact CH2-CD2 3.99Å; W411-Y443 AromaticContact CH2-CE2 3.71Å; W411-Y443 HydrophobicContact CH2-CE2 3.71Å; W411-Y443 HydrophobicContact CZ2-CE2 4.19Å; E431-Y443 CarbonylContact C-O 3.48Å; E431-Y443 WeakPolarHBondContact CA-O 3.25Å; L432-Y443 PolarHBondContact N-O 3.38Å; L432-Y443 PolarHBondContact O-N 3.46Å; Y434-Y443 HydrophobicContact CE1-CD1 4.33Å; Y443-I445 PolarHBondContact O-N 2.97Å; Y443-Q448 PolarHBondContact OH-NE2 3.46Å; Y443-Q450 HydrophobicContact CD2-CG 4.27Å; Y443-Q450 HydrophobicContact CG-CG 4.38Å
444	N	95.6	Very high	96.4	Very high	17 Å²	17	31.1 Å²	31.1	9%	0.091	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	114.3	169.6	-172.5	-19.7	0	0	0	109.2	E431 E446 E447 Q448 C449	E431-N444 HydrophobicContact CG-CB 4.24Å; N444-E446 PolarHBondContact OD1-N 3.21Å; N444-E447 HydrophobicContact CB-CB 4.13Å; N444-E447 WeakPolarHBondContact ND2-CG 3.4Å; N444-E447 PolarHBondContact ND2-OE2 3.37Å; N444-E447 PolarHBondContact OD1-N 3.26Å; N444-Q448 WeakPolarHBondContact O-CA 3.49Å; N444-Q448 PolarHBondContact O-N 2.94Å; N444-Q448 VanDerWaalsContact O-N 3.12Å; N444-C449 PolarHBondContact N-O 2.96Å; N444-C449 PolarHBondContact O-N 3.09Å
445	I	88.3	Confident	96.3	Very high	32 Å²	32	35.4 Å²	35.4	16%	0.164	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-39.9	-177.5	-48.5	174	0	0	0	110.6	L432 Y443 Q448 I707 L727	L432-I445 HydrophobicContact CD1-CD1 3.72Å; L432-I445 HydrophobicContact CD1-CG1 4.03Å; L432-I445 HydrophobicContact CG-CD1 4.02Å; L432-I445 HydrophobicContact CG-CG1 4.31Å; Y443-I445 PolarHBondContact O-N 2.97Å; I445-Q448 PolarHBondContact O-NE2 2.98Å; I445-I707 HydrophobicContact CD1-CD1 4.38Å; I445-L727 HydrophobicContact CD1-CD1 3.97Å; I445-L727 HydrophobicContact CG2-CD2 3.98Å
446	E	89.4	Confident	96.3	Very high	168 Å²	168	35.5 Å²	35.5	79%	0.785	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-39.4	-174.8	-62.3	-174.9	-179.2	0	0	112.1	N444 Q448	N444-E446 PolarHBondContact OD1-N 3.21Å; E446-Q448 VanDerWaalsContact C-N 3.34Å
447	E	92	Very high	96.1	Very high	136 Å²	136	36.4 Å²	36.4	64%	0.636	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-8.8	177.1	-68.7	178.7	162.5	0	0	113.7	N444 C449	N444-E447 HydrophobicContact CB-CB 4.13Å; N444-E447 WeakPolarHBondContact ND2-CG 3.4Å; N444-E447 PolarHBondContact ND2-OE2 3.37Å; N444-E447 PolarHBondContact OD1-N 3.26Å; E447-C449 HydrophobicContact CB-CB 4.08Å; E447-C449 PolarHBondContact O-N 2.95Å; E447-C449 PolarHBondContact OE2-SG 3.06Å
448	Q	91.4	Very high	96	Very high	81 Å²	81	37.4 Å²	37.4	38%	0.379	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	41.9	-169.4	-70.3	-68.1	-75.8	0	0	112.4	W411 Y443 N444 I445 E446	W411-Q448 WeakPolarHBondContact CZ3-O 3.27Å; Y443-Q448 PolarHBondContact OH-NE2 3.46Å; N444-Q448 WeakPolarHBondContact O-CA 3.49Å; N444-Q448 PolarHBondContact O-N 2.94Å; N444-Q448 VanDerWaalsContact O-N 3.12Å; I445-Q448 PolarHBondContact O-NE2 2.98Å; E446-Q448 VanDerWaalsContact C-N 3.34Å
449	C	95.1	Very high	96	Very high	40 Å²	40	38.8 Å²	38.8	27%	0.27	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	148	-175.5	90.7	0	0	0	0	111.4	N444 E447	N444-C449 PolarHBondContact N-O 2.96Å; N444-C449 PolarHBondContact O-N 3.09Å; E447-C449 HydrophobicContact CB-CB 4.08Å; E447-C449 PolarHBondContact O-N 2.95Å; E447-C449 PolarHBondContact OE2-SG 3.06Å
450	Q	97.6	Very high	96	Very high	20 Å²	20	38.8 Å²	38.8	9%	0.093	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.1	172.1	-79.3	-177	9.1	0	0	111.2	W411 I412 V441 L442 Y443 H452	W411-Q450 HydrophobicContact CD2-CB 4.49Å; W411-Q450 VanDerWaalsContact CD2-CD 3.48Å; W411-Q450 HydrophobicContact CD2-CG 3.96Å; W411-Q450 HydrophobicContact CE3-CB 3.85Å; W411-Q450 HydrophobicContact CE3-CG 3.61Å; W411-Q450 HydrophobicContact CH2-CG 3.9Å; W411-Q450 HydrophobicContact CZ2-CG 4.19Å; W411-Q450 HydrophobicContact CZ3-CB 4.02Å; W411-Q450 HydrophobicContact CZ3-CG 3.59Å; I412-Q450 PolarHBondContact O-NE2 2.88Å; V441-Q450 HydrophobicContact CG1-CB 4.36Å; V441-Q450 HydrophobicContact CG1-CG 3.77Å; L442-Q450 CarbonylContact O-C 3.56Å; L442-Q450 VanDerWaalsContact O-CA 3.3Å; L442-Q450 WeakPolarHBondContact O-CA 3.49Å; Y443-Q450 HydrophobicContact CD2-CG 4.27Å; Y443-Q450 HydrophobicContact CG-CG 4.38Å; Q450-H452 PolarHBondContact OE1-NE2 2.89Å
451	R	98	Very high	96	Very high	71 Å²	71	40.5 Å²	40.5	27%	0.268	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	150.5	165.4	-47.5	-172.7	-64.7	133.4	-2.7	109	E431 L442 S494 V495 L497	E431-R451 VanDerWaalsContact CD-NH2 3.26Å; E431-R451 IonicContact OE1-CZ 2.68Å; E431-R451 IonicContact OE1-NE 3.96Å; E431-R451 PolarHBondContact OE1-NE 2.65Å; E431-R451 IonicContact OE1-NH2 3.38Å; E431-R451 PolarHBondContact OE1-NH2 3.15Å; E431-R451 IonicContact OE2-NH2 3.36Å; E431-R451 PolarHBondContact OE2-NH2 3.31Å; L442-R451 HydrophobicContact CB-CB 4.43Å; L442-R451 PolarHBondContact N-O 2.96Å; L442-R451 PolarHBondContact O-N 3.41Å; R451-S494 PolarHBondContact NH1-O 3.18Å; R451-S494 PolarHBondContact NH2-O 3.3Å; R451-V495 PolarHBondContact NH1-O 2.85Å; R451-L497 HydrophobicContact CB-CD1 4.06Å
452	H	98.5	Very high	95.9	Very high	26 Å²	26	40.8 Å²	40.8	12%	0.12	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	130.8	-166.9	-48.5	93.5	0	0	0	112.4	L409 V439 V440 Q450 L454	L409-H452 HydrophobicContact CD2-CB 3.83Å; L409-H452 VanDerWaalsContact CD2-CG 3.45Å; V439-H452 HydrophobicContact CG1-CB 3.9Å; V440-H452 WeakPolarHBondContact O-CA 3.29Å; Q450-H452 PolarHBondContact OE1-NE2 2.89Å; H452-L454 HydrophobicContact CB-CD1 4.45Å; H452-L454 HydrophobicContact CB-CD2 3.87Å; H452-L454 HydrophobicContact CB-CG 3.98Å
453	Y	98.6	Very high	96	Very high	3 Å²	3	41.1 Å²	41.1	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	105.8	169.2	-177.3	-110.2	0	0	0	109.2	V440 E455 H456 R490 W492 L497 T499	V440-Y453 HydrophobicContact CG2-CD1 3.95Å; V440-Y453 PolarHBondContact N-O 3.18Å; V440-Y453 PolarHBondContact O-N 2.66Å; Y453-E455 HydrophobicContact CD1-CB 4.46Å; Y453-E455 HydrophobicContact CD2-CB 4.41Å; Y453-E455 HydrophobicContact CD2-CG 4.41Å; Y453-E455 HydrophobicContact CE1-CB 3.9Å; Y453-E455 HydrophobicContact CE2-CB 3.83Å; Y453-E455 HydrophobicContact CE2-CG 3.82Å; Y453-H456 AromaticContact CE1-CD2 3.95Å; Y453-R490 HydrophobicContact CE1-CB 4.36Å; Y453-R490 WeakPolarHBondContact OH-CB 3.34Å; Y453-R490 WeakPolarHBondContact OH-CD 3.29Å; Y453-W492 AromaticContact CD1-CD2 4Å; Y453-W492 HydrophobicContact CD1-CD2 4Å; Y453-W492 AromaticContact CD1-CE2 3.68Å; Y453-W492 HydrophobicContact CD1-CG 4.27Å; Y453-W492 HydrophobicContact CD1-CZ2 4.04Å; Y453-W492 AromaticContact CD1-NE1 3.74Å; Y453-W492 HydrophobicContact CD2-CB 4.42Å; Y453-W492 AromaticContact CD2-CD2 3.86Å; Y453-W492 HydrophobicContact CD2-CD2 3.86Å; Y453-W492 AromaticContact CD2-CE3 3.89Å; Y453-W492 HydrophobicContact CD2-CE3 3.89Å; Y453-W492 HydrophobicContact CD2-CG 4.12Å; Y453-W492 HydrophobicContact CD2-CZ3 4.42Å; Y453-W492 AromaticContact CE1-CD1 3.47Å; Y453-W492 VanDerWaalsContact CE1-CD1 3.47Å; Y453-W492 HydrophobicContact CE1-CD2 4.04Å; Y453-W492 AromaticContact CE1-CE2 3.88Å; Y453-W492 AromaticContact CE1-CG 3.82Å; Y453-W492 HydrophobicContact CE1-CG 3.82Å; Y453-W492 AromaticContact CE1-NE1 3.5Å; Y453-W492 HydrophobicContact CE2-CB 3.67Å; Y453-W492 AromaticContact CE2-CD2 3.93Å; Y453-W492 HydrophobicContact CE2-CD2 3.93Å; Y453-W492 HydrophobicContact CE2-CE3 4.3Å; Y453-W492 AromaticContact CE2-CG 3.67Å; Y453-W492 HydrophobicContact CE2-CG 3.67Å; Y453-W492 AromaticContact CG-CD2 3.9Å; Y453-W492 HydrophobicContact CG-CD2 3.9Å; Y453-W492 AromaticContact CG-CE2 3.93Å; Y453-W492 HydrophobicContact CG-CE3 4.05Å; Y453-W492 HydrophobicContact CG-CG 4.41Å; Y453-W492 HydrophobicContact CG-CH2 4.3Å; Y453-W492 HydrophobicContact CG-CZ2 4.16Å; Y453-W492 HydrophobicContact CG-CZ3 4.25Å; Y453-W492 AromaticContact CZ-CD1 3.49Å; Y453-W492 VanDerWaalsContact CZ-CD1 3.49Å; Y453-W492 AromaticContact CZ-CG 3.48Å; Y453-W492 VanDerWaalsContact CZ-CG 3.48Å; Y453-W492 AromaticContact CZ-NE1 4Å; Y453-L497 WeakPolarHBondContact CD2-O 3.45Å; Y453-L497 WeakPolarHBondContact CE2-O 3.49Å; Y453-T499 PolarHBondContact OH-OG1 2.6Å
454	L	97.3	Very high	96	Very high	57 Å²	57	41.5 Å²	41.5	30%	0.298	20%	0.202	S	C	.	.			trans	-105.3	19.1	-167.2	-59.3	176.4	0	0	0	114	L409 V439 H452	L409-L454 HydrophobicContact CB-CD1 4.47Å; L409-L454 HydrophobicContact CD2-CD1 4.14Å; L409-L454 HydrophobicContact CD2-CD2 3.69Å; L409-L454 HydrophobicContact CD2-CG 4.47Å; V439-L454 HydrophobicContact CB-CD2 4.18Å; V439-L454 HydrophobicContact CG1-CD2 3.64Å; V439-L454 HydrophobicContact CG2-CD2 3.5Å; V439-L454 VanDerWaalsContact CG2-CD2 3.5Å; H452-L454 HydrophobicContact CB-CD1 4.45Å; H452-L454 HydrophobicContact CB-CD2 3.87Å; H452-L454 HydrophobicContact CB-CG 3.98Å
455	E	96.5	Very high	96.1	Very high	90 Å²	90	41.6 Å²	41.6	42%	0.421	20%	0.203	S	C	.	.			trans	-87	-14.9	-171.8	-83.4	-76.4	136.7	0	0	113.9	Y453 R490	Y453-E455 HydrophobicContact CD1-CB 4.46Å; Y453-E455 HydrophobicContact CD2-CB 4.41Å; Y453-E455 HydrophobicContact CD2-CG 4.41Å; Y453-E455 HydrophobicContact CE1-CB 3.9Å; Y453-E455 HydrophobicContact CE2-CB 3.83Å; Y453-E455 HydrophobicContact CE2-CG 3.82Å; E455-R490 PolarHBondContact O-NE 2.87Å; E455-R490 VanDerWaalsContact O-NE 3.12Å; E455-R490 PolarHBondContact O-NH2 2.89Å; E455-R490 IonicContact OE2-CZ 2.71Å; E455-R490 IonicContact OE2-NH1 2.68Å; E455-R490 PolarHBondContact OE2-NH1 3.01Å; E455-R490 IonicContact OE2-NH2 2.68Å; E455-R490 PolarHBondContact OE2-NH2 3.25Å
456	H	97.1	Very high	96.6	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.197	C	C	.	.			trans	-76.7	146.2	171.7	-76.6	-71.7	0	0	0	110.9	A438 Y453 V460 T474 Q476 H488	A438-H456 WeakPolarHBondContact O-CB 3.08Å; Y453-H456 AromaticContact CE1-CD2 3.95Å; H456-V460 HydrophobicContact CB-CG2 4.01Å; H456-T474 PolarHBondContact CE1-O 2.94Å; H456-T474 WeakPolarHBondContact NE2-CB 3.24Å; H456-T474 PolarHBondContact NE2-OG1 3.29Å; H456-Q476 HydrophobicContact CB-CG 4.35Å; H456-Q476 PolarHBondContact ND1-OE1 3.12Å; H456-H488 AromaticContact ND1-NE2 3.9Å
457	T	95	Very high	96.9	Very high	20 Å²	20	34.9 Å²	34.9	12%	0.123	18%	0.175	C	C	.	.	S	Bend	trans	-103.9	-6.5	-177.3	56.6	0	0	0	0	113.8	Q476 D481 F484	T457-Q476 PolarHBondContact OG1-NE2 2.98Å; T457-D481 HydrophobicContact CG2-CB 4.34Å; T457-F484 HydrophobicContact CG2-CB 3.91Å; T457-F484 PolarHBondContact OG1-O 2.85Å
458	D	96.6	Very high	97.1	Very high	21 Å²	21	31.8 Å²	31.8	11%	0.112	16%	0.162	C	C	.	.	S	Bend	trans	-156.2	-177.1	-177.5	-152.7	-81.4	0	0	0	108.9	A438 V460 Q476 G479	A438-D458 WeakPolarHBondContact CA-O 3.48Å; A438-D458 WeakPolarHBondContact CB-O 3.31Å; D458-V460 PolarHBondContact O-N 3.46Å; D458-Q476 HydrophobicContact CB-CG 4.21Å; D458-Q476 WeakPolarHBondContact O-CG 3.49Å; D458-G479 WeakPolarHBondContact OD2-CA 3.4Å
459	D	97.4	Very high	97.4	Very high	30 Å²	30	34.9 Å²	34.9	16%	0.16	17%	0.17	C	C	.	.			trans	-40.7	119.7	-178.5	-91.7	-4.5	0	0	0	114.1	R416 K461 Q476 S477 S1018	R416-D459 IonicContact CZ-OD1 3.53Å; R416-D459 IonicContact CZ-OD2 3.47Å; R416-D459 VanDerWaalsContact CZ-OD2 3.31Å; R416-D459 IonicContact NH1-OD1 3.58Å; R416-D459 PolarHBondContact NH1-OD1 1.82Å; R416-D459 IonicContact NH1-OD2 2.66Å; R416-D459 PolarHBondContact NH1-OD2 2.86Å; R416-D459 IonicContact NH2-OD1 2.73Å; R416-D459 IonicContact NH2-OD2 3.2Å; R416-D459 PolarHBondContact NH2-OD2 2.87Å; D459-K461 HydrophobicContact CB-CD 4.12Å; D459-K461 HydrophobicContact CB-CG 4.24Å; D459-Q476 CarbonylContact O-C 3.4Å; D459-Q476 WeakPolarHBondContact O-CA 3.36Å; D459-Q476 WeakPolarHBondContact O-CG 3.48Å; D459-S477 PolarHBondContact O-N 3.49Å; D459-S1018 VanDerWaalsContact OD1-CB 3.27Å; D459-S1018 WeakPolarHBondContact OD1-CB 3.34Å; D459-S1018 PolarHBondContact OD1-OG 3.48Å
460	V	98.5	Very high	97.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	128.1	161	-174.2	0	0	0	0	108.4	F435 A437 V440 H456 D458 T474	F435-V460 HydrophobicContact CB-CB 3.99Å; F435-V460 HydrophobicContact CB-CG1 3.92Å; F435-V460 HydrophobicContact CD1-CB 4.36Å; F435-V460 HydrophobicContact CD1-CG1 3.54Å; F435-V460 HydrophobicContact CD2-CB 4.01Å; F435-V460 HydrophobicContact CD2-CG1 4.04Å; F435-V460 VanDerWaalsContact CD2-O 3.32Å; F435-V460 WeakPolarHBondContact CD2-O 3.47Å; F435-V460 HydrophobicContact CE1-CG1 3.96Å; F435-V460 HydrophobicContact CE2-CG1 4.44Å; F435-V460 WeakPolarHBondContact CE2-O 3.2Å; F435-V460 HydrophobicContact CG-CB 3.89Å; F435-V460 HydrophobicContact CG-CG1 3.58Å; F435-V460 HydrophobicContact CZ-CG1 4.4Å; A437-V460 PolarHBondContact O-N 3.37Å; V440-V460 HydrophobicContact CG2-CG2 4.45Å; H456-V460 HydrophobicContact CB-CG2 4.01Å; D458-V460 PolarHBondContact O-N 3.46Å; V460-T474 HydrophobicContact CG1-CG2 4.25Å
461	K	97.7	Very high	97.5	Very high	36 Å²	36	36.2 Å²	36.2	16%	0.157	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	-23	-173.4	-66.7	-65.3	-61.5	-156.7	0	114.5	D419 F435 D459 G475 S477 S511	D419-K461 IonicContact OD2-NZ 3.53Å; D419-K461 PolarHBondContact OD2-NZ 2.73Å; F435-K461 VanDerWaalsContact CZ-C 3.44Å; F435-K461 WeakPolarHBondContact CZ-O 3.14Å; D459-K461 HydrophobicContact CB-CD 4.12Å; D459-K461 HydrophobicContact CB-CG 4.24Å; K461-G475 PolarHBondContact N-O 3.43Å; K461-S477 VanDerWaalsContact CG-OG 3.29Å; K461-S477 WeakPolarHBondContact CG-OG 3.27Å; K461-S511 WeakPolarHBondContact CG-OG 3.2Å
462	C	98.4	Very high	97.5	Very high	6 Å²	6	32.8 Å²	32.8	4%	0.041	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	157.3	174.1	60.9	0	0	0	0	112.4	T474 G475 V512 C513 L515	C462-T474 WeakPolarHBondContact O-CA 3.46Å; C462-G475 PolarHBondContact O-N 3.47Å; C462-V512 PolarHBondContact SG-O 2.92Å; C462-C513 WeakPolarHBondContact CB-O 3.14Å; C462-L515 VanDerWaalsContact SG-CG 3.59Å
463	I	98.7	Very high	97.5	Very high	8 Å²	8	31.6 Å²	31.6	4%	0.041	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	146.1	179.7	-172.2	164.5	0	0	0	109.7	N423 I433 F435 V440 I465 V472 A473 T474	N423-I463 HydrophobicContact CB-CG2 4.21Å; I433-I463 HydrophobicContact CD1-CD1 3.79Å; I433-I463 HydrophobicContact CG1-CD1 3.8Å; F435-I463 HydrophobicContact CD1-CB 4.16Å; F435-I463 HydrophobicContact CD1-CG2 4.2Å; F435-I463 HydrophobicContact CE1-CB 3.96Å; F435-I463 HydrophobicContact CE1-CG2 3.83Å; V440-I463 HydrophobicContact CG1-CD1 3.94Å; I463-I465 HydrophobicContact CD1-CD1 4.37Å; I463-I465 HydrophobicContact CG1-CD1 4.33Å; I463-V472 HydrophobicContact CD1-CG1 3.84Å; I463-V472 HydrophobicContact CG1-CG1 3.78Å; I463-A473 CarbonylContact C-O 3.57Å; I463-A473 VanDerWaalsContact CA-O 3.32Å; I463-A473 WeakPolarHBondContact CA-O 3.43Å; I463-T474 HydrophobicContact CB-CG2 3.9Å; I463-T474 HydrophobicContact CD1-CG2 3.9Å; I463-T474 HydrophobicContact CG1-CG2 3.64Å
464	A	98.5	Very high	97.5	Very high	9 Å²	9	31.4 Å²	31.4	7%	0.074	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	134.6	170.6	0	0	0	0	0	110.6	A473 L515 F517	A464-A473 PolarHBondContact N-O 3.32Å; A464-A473 PolarHBondContact O-N 2.92Å; A464-L515 HydrophobicContact CB-CB 3.72Å; A464-F517 HydrophobicContact CB-CD2 4.08Å; A464-F517 HydrophobicContact CB-CE2 4.4Å; A464-F517 WeakPolarHBondContact O-CE2 3.5Å
465	I	97.9	Very high	97.6	Very high	19 Å²	19	28.7 Å²	28.7	10%	0.097	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	132	175	-46	-56.3	0	0	0	109.1	H425 L427 I433 I463 V472	H425-I465 HydrophobicContact CB-CG1 4.18Å; L427-I465 HydrophobicContact CD2-CD1 4.33Å; L427-I465 HydrophobicContact CD2-CG2 4.29Å; I433-I465 HydrophobicContact CD1-CD1 4.39Å; I433-I465 HydrophobicContact CG2-CD1 3.92Å; I463-I465 HydrophobicContact CD1-CD1 4.37Å; I463-I465 HydrophobicContact CG1-CD1 4.33Å; I465-V472 HydrophobicContact CD1-CG1 4.15Å; I465-V472 HydrophobicContact CD1-CG2 4.05Å
466	H	98.4	Very high	97.7	Very high	12 Å²	12	24.4 Å²	24.4	6%	0.056	12%	0.122	C	C	.	.			trans	-76	157.5	178.5	-176.1	-106	0	0	0	111.1	D468 R469 T471 F517 S522 G523 W542	H466-D468 WeakPolarHBondContact CB-OD1 3.32Å; H466-D468 IonicContact CE1-OD2 2.69Å; H466-D468 IonicContact CG-OD1 3.42Å; H466-D468 IonicContact ND1-OD1 3.71Å; H466-D468 PolarHBondContact ND1-OD1 2.91Å; H466-D468 IonicContact ND1-OD2 3.6Å; H466-D468 PolarHBondContact ND1-OD2 3.37Å; H466-D468 VanDerWaalsContact ND1-OD2 3.09Å; H466-D468 PolarHBondContact O-N 3.37Å; H466-D468 VanDerWaalsContact O-N 3.14Å; H466-R469 PolarHBondContact O-N 3.18Å; H466-T471 HydrophobicContact CB-CG2 4.15Å; H466-T471 WeakPolarHBondContact CB-O 3.38Å; H466-T471 PolarHBondContact N-O 2.68Å; H466-F517 HydrophobicContact CB-CD2 3.78Å; H466-F517 HydrophobicContact CB-CE2 3.75Å; H466-F517 HydrophobicContact CB-CG 4.19Å; H466-F517 HydrophobicContact CB-CZ 4.14Å; H466-F517 AromaticContact CD2-CD1 3.58Å; H466-F517 AromaticContact CD2-CE1 3.75Å; H466-F517 AromaticContact CD2-CG 3.84Å; H466-S522 PolarHBondContact CE1-O 3.26Å; H466-S522 VanDerWaalsContact CE1-O 3.32Å; H466-S522 PolarHBondContact NE2-O 3.39Å; H466-G523 WeakPolarHBondContact NE2-CA 3.33Å; H466-G523 PolarHBondContact NE2-O 3.5Å; H466-W542 AromaticContact NE2-CZ2 3.74Å
467	P	96.9	Very high	97.7	Very high	47 Å²	47	25.1 Å²	25.1	31%	0.305	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-25.4	-178.6	-28	37.3	0	0	0	115.6	R469 S518 K519	P467-R469 PolarHBondContact O-N 3.06Å; P467-S518 VanDerWaalsContact CG-O 3.26Å; P467-S518 WeakPolarHBondContact CG-O 3.48Å; P467-K519 HydrophobicContact CG-CD 4.04Å
468	D	96.3	Very high	97.7	Very high	70 Å²	70	26.2 Å²	26.2	37%	0.374	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-9.1	175.1	69.4	-2.5	0	0	0	114.4	H466 I470 T471	H466-D468 WeakPolarHBondContact CB-OD1 3.32Å; H466-D468 IonicContact CE1-OD2 2.69Å; H466-D468 IonicContact CG-OD1 3.42Å; H466-D468 IonicContact ND1-OD1 3.71Å; H466-D468 PolarHBondContact ND1-OD1 2.91Å; H466-D468 IonicContact ND1-OD2 3.6Å; H466-D468 PolarHBondContact ND1-OD2 3.37Å; H466-D468 VanDerWaalsContact ND1-OD2 3.09Å; H466-D468 PolarHBondContact O-N 3.37Å; H466-D468 VanDerWaalsContact O-N 3.14Å; D468-I470 PolarHBondContact O-N 2.96Å; D468-I470 PolarHBondContact OD1-N 3.42Å; D468-T471 PolarHBondContact OD1-N 2.82Å; D468-T471 WeakPolarHBondContact OD2-CB 3.07Å; D468-T471 PolarHBondContact OD2-OG1 3.3Å
469	R	95.7	Very high	97.4	Very high	146 Å²	146	26.2 Å²	26.2	55%	0.551	14%	0.142	S	C	*	.	S	Bend	trans	59.9	14.7	-175	-49.2	-58.9	-172.3	143.1	3	115.3	P428 H466 P467	P428-R469 HydrophobicContact CG-CB 3.71Å; P428-R469 HydrophobicContact CG-CG 4.03Å; H466-R469 PolarHBondContact O-N 3.18Å; P467-R469 PolarHBondContact O-N 3.06Å
470	I	96.9	Very high	96.6	Very high	78 Å²	78	28.5 Å²	28.5	40%	0.4	15%	0.152	S	C	.	.	S	Bend	trans	-120.3	-41.4	-179.7	-67.1	169.2	0	0	0	110.8	D468 S494 V495	D468-I470 PolarHBondContact O-N 2.96Å; D468-I470 PolarHBondContact OD1-N 3.42Å; I470-S494 PolarHBondContact O-N 2.87Å; I470-S494 PolarHBondContact O-OG 2.94Å; I470-S494 VanDerWaalsContact O-OG 3.13Å; I470-V495 HydrophobicContact CG2-CG2 4.01Å
471	T	98.4	Very high	95.9	Very high	10 Å²	10	31.6 Å²	31.6	6%	0.061	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	133.7	179.8	-56.9	0	0	0	0	109.9	H466 D468 I491 L500 F517 W542	H466-T471 HydrophobicContact CB-CG2 4.15Å; H466-T471 WeakPolarHBondContact CB-O 3.38Å; H466-T471 PolarHBondContact N-O 2.68Å; D468-T471 PolarHBondContact OD1-N 2.82Å; D468-T471 WeakPolarHBondContact OD2-CB 3.07Å; D468-T471 PolarHBondContact OD2-OG1 3.3Å; T471-I491 HydrophobicContact CG2-CG2 3.48Å; T471-I491 VanDerWaalsContact CG2-CG2 3.48Å; T471-L500 HydrophobicContact CG2-CD1 4.31Å; T471-F517 HydrophobicContact CG2-CZ 4.3Å; T471-W542 HydrophobicContact CG2-CH2 3.92Å; T471-W542 HydrophobicContact CG2-CZ2 4.23Å; T471-W542 HydrophobicContact CG2-CZ3 4.42Å
472	V	98.7	Very high	95.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.3	-178.2	-177.1	0	0	0	0	109.1	I433 I463 I465 T474 I491 W492	I433-V472 HydrophobicContact CD1-CG1 4.11Å; I433-V472 HydrophobicContact CD1-CG2 4Å; I463-V472 HydrophobicContact CD1-CG1 3.84Å; I463-V472 HydrophobicContact CG1-CG1 3.78Å; I465-V472 HydrophobicContact CD1-CG1 4.15Å; I465-V472 HydrophobicContact CD1-CG2 4.05Å; V472-T474 HydrophobicContact CG1-CG2 4.31Å; V472-I491 CarbonylContact O-C 3.24Å; V472-I491 VanDerWaalsContact O-CA 3.29Å; V472-I491 WeakPolarHBondContact O-CA 3.45Å; V472-W492 HydrophobicContact CB-CD2 4.04Å; V472-W492 HydrophobicContact CB-CE3 4.47Å; V472-W492 HydrophobicContact CB-CH2 4.35Å; V472-W492 HydrophobicContact CB-CZ2 3.89Å; V472-W492 HydrophobicContact CG1-CD2 4.45Å; V472-W492 HydrophobicContact CG1-CH2 4.23Å; V472-W492 HydrophobicContact CG1-CZ2 3.5Å; V472-W492 HydrophobicContact CG2-CH2 4.44Å; V472-W492 HydrophobicContact CG2-CZ2 4.44Å; V472-W492 PolarHBondContact N-O 2.9Å; V472-W492 PolarHBondContact O-N 2.87Å
473	A	98.8	Very high	94.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	136.5	168.6	0	0	0	0	0	110.6	I463 A464 V489 R490 I491 L515 F517 L526	I463-A473 CarbonylContact C-O 3.57Å; I463-A473 VanDerWaalsContact CA-O 3.32Å; I463-A473 WeakPolarHBondContact CA-O 3.43Å; A464-A473 PolarHBondContact N-O 3.32Å; A464-A473 PolarHBondContact O-N 2.92Å; A473-V489 HydrophobicContact CB-CG1 4.19Å; A473-R490 CarbonylContact C-O 3.55Å; A473-R490 VanDerWaalsContact CA-O 3.3Å; A473-R490 WeakPolarHBondContact CA-O 3.44Å; A473-I491 HydrophobicContact CB-CG1 4.02Å; A473-L515 HydrophobicContact CB-CD1 4.18Å; A473-F517 HydrophobicContact CB-CE2 3.58Å; A473-F517 HydrophobicContact CB-CZ 3.55Å; A473-L526 HydrophobicContact CB-CD1 4.25Å; A473-L526 HydrophobicContact CB-CD2 3.81Å
474	T	98.9	Very high	93.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	136.7	177.7	41.6	0	0	0	0	112.2	V440 H456 V460 C462 I463 V472 V489 R490 W492	V440-T474 HydrophobicContact CG2-CG2 3.84Å; H456-T474 PolarHBondContact CE1-O 2.94Å; H456-T474 WeakPolarHBondContact NE2-CB 3.24Å; H456-T474 PolarHBondContact NE2-OG1 3.29Å; V460-T474 HydrophobicContact CG1-CG2 4.25Å; C462-T474 WeakPolarHBondContact O-CA 3.46Å; I463-T474 HydrophobicContact CB-CG2 3.9Å; I463-T474 HydrophobicContact CD1-CG2 3.9Å; I463-T474 HydrophobicContact CG1-CG2 3.64Å; V472-T474 HydrophobicContact CG1-CG2 4.31Å; T474-V489 WeakPolarHBondContact O-CA 3.46Å; T474-R490 PolarHBondContact N-O 3.42Å; T474-R490 PolarHBondContact O-N 3.27Å; T474-W492 HydrophobicContact CG2-CZ2 4.38Å; T474-W492 PolarHBondContact OG1-NE1 3.22Å
475	G	98.5	Very high	93.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	138.7	-176.5	0	0	0	0	0	112.6	K461 C462	K461-G475 PolarHBondContact N-O 3.43Å; C462-G475 PolarHBondContact O-N 3.47Å
476	Q	98	Very high	93	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	152.5	-174.3	-152.9	-169.8	-83.5	0	0	113.4	H456 T457 D458 D459 F484 H488 V512	H456-Q476 HydrophobicContact CB-CG 4.35Å; H456-Q476 PolarHBondContact ND1-OE1 3.12Å; T457-Q476 PolarHBondContact OG1-NE2 2.98Å; D458-Q476 HydrophobicContact CB-CG 4.21Å; D458-Q476 WeakPolarHBondContact O-CG 3.49Å; D459-Q476 CarbonylContact O-C 3.4Å; D459-Q476 WeakPolarHBondContact O-CA 3.36Å; D459-Q476 WeakPolarHBondContact O-CG 3.48Å; Q476-F484 PolarHBondContact NE2-O 3.36Å; Q476-H488 PolarHBondContact N-O 3Å; Q476-H488 PolarHBondContact OE1-CE1 2.84Å; Q476-V512 PolarHBondContact O-N 3.04Å
477	S	96.9	Very high	93	Very high	16 Å²	16	51.6 Å²	51.6	11%	0.112	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-70.7	164.9	160.1	-65	0	0	0	0	114.1	D459 K461 S511	D459-S477 PolarHBondContact O-N 3.49Å; K461-S477 VanDerWaalsContact CG-OG 3.29Å; K461-S477 WeakPolarHBondContact CG-OG 3.27Å; S477-S511 VanDerWaalsContact CA-OG 3.29Å; S477-S511 WeakPolarHBondContact CA-OG 3.28Å; S477-S511 PolarHBondContact N-OG 3.48Å; S477-S511 PolarHBondContact OG-OG 2.93Å
478	A	94.9	Very high	93	Very high	43 Å²	43	49.4 Å²	49.4	36%	0.355	24%	0.243	S	C	.	.			trans	-70.2	140.8	160.8	0	0	0	0	0	110.4	G485 P487 R510	A478-G485 CarbonylContact C-O 2.97Å; A478-G485 WeakPolarHBondContact CA-O 3.46Å; A478-P487 HydrophobicContact CB-CG 3.83Å; A478-R510 WeakPolarHBondContact CB-O 3.23Å; A478-R510 PolarHBondContact N-O 2.88Å
479	G	90.2	Very high	93.1	Very high	20 Å²	20	46 Å²	46	21%	0.206	23%	0.225	C	C	.	.			trans	-145.3	-172.9	-173.3	0	0	0	0	0	113.8	D458 G485	D458-G479 WeakPolarHBondContact OD2-CA 3.4Å; G479-G485 PolarHBondContact N-O 3.11Å
480	H	82.1	Confident	93.3	Very high	79 Å²	79	39.5 Å²	39.5	37%	0.366	20%	0.2	S	C	.	.	S	Bend	trans	-82.4	-11	-175.2	-62.1	-34.2	0	0	0	115	D35 R38 Y994	D35-H480 IonicContact OD1-CE1 3.41Å; D35-H480 PolarHBondContact OD1-CE1 3.28Å; D35-H480 IonicContact OD1-ND1 2.88Å; D35-H480 PolarHBondContact OD1-ND1 2.77Å; R38-H480 PolarHBondContact NH2-NE2 2.99Å; H480-Y994 HydrophobicContact CB-CD1 4.26Å
481	D	83.9	Confident	93.4	Very high	65 Å²	65	35.8 Å²	35.8	35%	0.348	18%	0.181	S	C	.	.			trans	-69.3	134.3	-178.5	-179.3	-87.9	0	0	0	113.3	T457 Q483 F484 G485	T457-D481 HydrophobicContact CG2-CB 4.34Å; D481-Q483 VanDerWaalsContact C-N 3.31Å; D481-Q483 PolarHBondContact O-N 2.98Å; D481-Q483 PolarHBondContact OD1-N 2.75Å; D481-F484 PolarHBondContact OD1-N 2.86Å; D481-G485 VanDerWaalsContact O-CA 3.23Å; D481-G485 WeakPolarHBondContact O-CA 3.29Å; D481-G485 PolarHBondContact O-N 2.95Å; D481-G485 VanDerWaalsContact O-N 3.09Å; D481-G485 PolarHBondContact OD1-N 2.67Å
482	K	79.6	Confident	93.4	Very high	178 Å²	178	35.3 Å²	35.3	77%	0.774	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-16.8	-170.9	-65.4	174.6	-177.3	169.6	0	114.4
483	Q	80.9	Confident	93.3	Very high	136 Å²	136	36 Å²	36	64%	0.636	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.2	-44.9	-174.6	-175.6	174.6	-9.9	0	0	112.9	D481	D481-Q483 VanDerWaalsContact C-N 3.31Å; D481-Q483 PolarHBondContact O-N 2.98Å; D481-Q483 PolarHBondContact OD1-N 2.75Å
484	F	85.8	Confident	93.3	Very high	56 Å²	56	36 Å²	36	25%	0.246	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-1.3	-176.2	-62.3	-75.8	0	0	0	113.4	T457 Q476 D481 K486 H488 I502 L505	T457-F484 HydrophobicContact CG2-CB 3.91Å; T457-F484 PolarHBondContact OG1-O 2.85Å; Q476-F484 PolarHBondContact NE2-O 3.36Å; D481-F484 PolarHBondContact OD1-N 2.86Å; F484-K486 PolarHBondContact O-N 3.31Å; F484-H488 PolarHBondContact O-CE1 2.94Å; F484-H488 VanDerWaalsContact O-CE1 3.26Å; F484-H488 PolarHBondContact O-ND1 3.31Å; F484-I502 HydrophobicContact CE1-CD1 4.18Å; F484-L505 HydrophobicContact CD1-CD1 4.13Å; F484-L505 HydrophobicContact CD1-CD2 4.1Å; F484-L505 HydrophobicContact CE1-CD1 4.07Å
485	G	88.6	Confident	93.2	Very high	7 Å²	7	40.2 Å²	40.2	7%	0.072	21%	0.209	C	C	.	.			trans	-69.8	12.4	172.4	0	0	0	0	0	114.9	A478 G479 D481	A478-G485 CarbonylContact C-O 2.97Å; A478-G485 WeakPolarHBondContact CA-O 3.46Å; G479-G485 PolarHBondContact N-O 3.11Å; D481-G485 VanDerWaalsContact O-CA 3.23Å; D481-G485 WeakPolarHBondContact O-CA 3.29Å; D481-G485 PolarHBondContact O-N 2.95Å; D481-G485 VanDerWaalsContact O-N 3.09Å; D481-G485 PolarHBondContact OD1-N 2.67Å
486	K	95	Very high	93	Very high	125 Å²	125	44.6 Å²	44.6	54%	0.543	23%	0.232	S	C	.	.	S	Bend	trans	-89.7	147.6	165	-65.9	-167.6	-178.4	-175.8	0	109.7	F484 H488	F484-K486 PolarHBondContact O-N 3.31Å; K486-H488 PolarHBondContact O-N 2.91Å; K486-H488 PolarHBondContact O-ND1 2.92Å
487	P	97.4	Very high	93	Very high	8 Å²	8	46.6 Å²	46.6	5%	0.052	24%	0.242	C	C	.	.			trans	-54.4	134.6	172.5	-20.8	32.3	0	0	0	110.4	A478 F508 R510 V512	A478-P487 HydrophobicContact CB-CG 3.83Å; P487-F508 HydrophobicContact CB-CB 3.93Å; P487-R510 VanDerWaalsContact CG-C 3.44Å; P487-R510 WeakPolarHBondContact CG-O 3.41Å; P487-V512 HydrophobicContact CB-CG2 4.41Å
488	H	98	Very high	93	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.			trans	-158.8	165.4	-179	64.3	-89	0	0	0	110.1	H456 Q476 F484 K486 R490 I502 L505	H456-H488 AromaticContact ND1-NE2 3.9Å; Q476-H488 PolarHBondContact N-O 3Å; Q476-H488 PolarHBondContact OE1-CE1 2.84Å; F484-H488 PolarHBondContact O-CE1 2.94Å; F484-H488 VanDerWaalsContact O-CE1 3.26Å; F484-H488 PolarHBondContact O-ND1 3.31Å; K486-H488 PolarHBondContact O-N 2.91Å; K486-H488 PolarHBondContact O-ND1 2.92Å; H488-R490 PolarHBondContact NE2-NE 3.48Å; H488-I502 HydrophobicContact CB-CG2 4.26Å; H488-L505 HydrophobicContact CB-CD2 3.71Å; H488-L505 HydrophobicContact CB-CG 3.83Å
489	V	98.7	Very high	93.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.7	172.2	180	0	0	0	0	108.8	A473 T474 I491 I502 I503 F508 V512 L515 L526	A473-V489 HydrophobicContact CB-CG1 4.19Å; T474-V489 WeakPolarHBondContact O-CA 3.46Å; V489-I491 HydrophobicContact CG1-CD1 4.15Å; V489-I502 WeakPolarHBondContact O-CA 3.29Å; V489-I503 HydrophobicContact CB-CD1 4.2Å; V489-I503 HydrophobicContact CB-CG1 3.73Å; V489-I503 HydrophobicContact CG1-CD1 4.41Å; V489-I503 HydrophobicContact CG1-CG1 4.32Å; V489-I503 PolarHBondContact N-O 3.3Å; V489-I503 VanDerWaalsContact N-O 3.1Å; V489-I503 PolarHBondContact O-N 2.85Å; V489-F508 HydrophobicContact CB-CE2 4.46Å; V489-F508 HydrophobicContact CG2-CE2 3.73Å; V489-F508 HydrophobicContact CG2-CZ 4.07Å; V489-V512 HydrophobicContact CG2-CB 4.32Å; V489-V512 HydrophobicContact CG2-CG1 3.85Å; V489-V512 HydrophobicContact CG2-CG2 4.05Å; V489-L515 HydrophobicContact CG1-CD1 4.01Å; V489-L515 HydrophobicContact CG1-CD2 3.95Å; V489-L515 HydrophobicContact CG2-CD2 3.83Å; V489-L526 HydrophobicContact CG1-CD2 4.13Å
490	R	98.6	Very high	93.6	Very high	8 Å²	8	54.1 Å²	54.1	3%	0.03	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	136.6	170.9	-63.9	-174.7	163.6	-110.8	18	109	Y453 E455 A473 T474 H488 T499 I502	Y453-R490 HydrophobicContact CE1-CB 4.36Å; Y453-R490 WeakPolarHBondContact OH-CB 3.34Å; Y453-R490 WeakPolarHBondContact OH-CD 3.29Å; E455-R490 PolarHBondContact O-NE 2.87Å; E455-R490 VanDerWaalsContact O-NE 3.12Å; E455-R490 PolarHBondContact O-NH2 2.89Å; E455-R490 IonicContact OE2-CZ 2.71Å; E455-R490 IonicContact OE2-NH1 2.68Å; E455-R490 PolarHBondContact OE2-NH1 3.01Å; E455-R490 IonicContact OE2-NH2 2.68Å; E455-R490 PolarHBondContact OE2-NH2 3.25Å; A473-R490 CarbonylContact C-O 3.55Å; A473-R490 VanDerWaalsContact CA-O 3.3Å; A473-R490 WeakPolarHBondContact CA-O 3.44Å; T474-R490 PolarHBondContact N-O 3.42Å; T474-R490 PolarHBondContact O-N 3.27Å; H488-R490 PolarHBondContact NE2-NE 3.48Å; R490-T499 PolarHBondContact NH1-OG1 2.73Å; R490-I502 HydrophobicContact CG-CG1 4.37Å; R490-I502 HydrophobicContact CG-CG2 4.45Å
491	I	98.8	Very high	94.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.3	171.3	-55.9	86.6	0	0	0	107.3	T471 V472 A473 V489 L500 K501 I503 F517 L526 W542	T471-I491 HydrophobicContact CG2-CG2 3.48Å; T471-I491 VanDerWaalsContact CG2-CG2 3.48Å; V472-I491 CarbonylContact O-C 3.24Å; V472-I491 VanDerWaalsContact O-CA 3.29Å; V472-I491 WeakPolarHBondContact O-CA 3.45Å; A473-I491 HydrophobicContact CB-CG1 4.02Å; V489-I491 HydrophobicContact CG1-CD1 4.15Å; I491-L500 WeakPolarHBondContact O-CA 3.46Å; I491-L500 WeakPolarHBondContact O-CB 2.92Å; I491-L500 PolarHBondContact O-N 3.05Å; I491-K501 HydrophobicContact CB-CB 4.23Å; I491-K501 HydrophobicContact CD1-CB 4.1Å; I491-K501 PolarHBondContact N-O 2.97Å; I491-K501 PolarHBondContact O-N 3.4Å; I491-I503 HydrophobicContact CD1-CD1 3.89Å; I491-I503 HydrophobicContact CD1-CG1 3.91Å; I491-I503 HydrophobicContact CD1-CG2 4.19Å; I491-F517 HydrophobicContact CG2-CZ 4.25Å; I491-L526 HydrophobicContact CD1-CD2 4.08Å; I491-L526 HydrophobicContact CG1-CD2 3.93Å; I491-W542 HydrophobicContact CB-CE3 4.29Å; I491-W542 HydrophobicContact CD1-CB 4.32Å; I491-W542 HydrophobicContact CG1-CB 4.46Å; I491-W542 HydrophobicContact CG1-CE3 4.45Å; I491-W542 HydrophobicContact CG2-CD2 4.35Å; I491-W542 HydrophobicContact CG2-CE3 3.76Å; I491-W542 HydrophobicContact CG2-CH2 4.45Å; I491-W542 HydrophobicContact CG2-CZ3 3.83Å
492	W	98.7	Very high	95	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	167.6	-169.2	53.7	-80.6	0	0	0	111.4	I433 V440 L442 Y453 V472 T474 L497 K498	I433-W492 HydrophobicContact CD1-CH2 3.67Å; I433-W492 HydrophobicContact CD1-CZ2 4.11Å; V440-W492 HydrophobicContact CB-CH2 4.14Å; V440-W492 HydrophobicContact CB-CZ2 3.9Å; V440-W492 HydrophobicContact CG1-CH2 4.01Å; V440-W492 HydrophobicContact CG1-CZ2 3.83Å; V440-W492 HydrophobicContact CG2-CZ2 3.88Å; L442-W492 HydrophobicContact CD1-CH2 4.01Å; L442-W492 HydrophobicContact CD1-CZ3 4.15Å; L442-W492 HydrophobicContact CD2-CZ3 4.48Å; Y453-W492 AromaticContact CD1-CD2 4Å; Y453-W492 HydrophobicContact CD1-CD2 4Å; Y453-W492 AromaticContact CD1-CE2 3.68Å; Y453-W492 HydrophobicContact CD1-CG 4.27Å; Y453-W492 HydrophobicContact CD1-CZ2 4.04Å; Y453-W492 AromaticContact CD1-NE1 3.74Å; Y453-W492 HydrophobicContact CD2-CB 4.42Å; Y453-W492 AromaticContact CD2-CD2 3.86Å; Y453-W492 HydrophobicContact CD2-CD2 3.86Å; Y453-W492 AromaticContact CD2-CE3 3.89Å; Y453-W492 HydrophobicContact CD2-CE3 3.89Å; Y453-W492 HydrophobicContact CD2-CG 4.12Å; Y453-W492 HydrophobicContact CD2-CZ3 4.42Å; Y453-W492 AromaticContact CE1-CD1 3.47Å; Y453-W492 VanDerWaalsContact CE1-CD1 3.47Å; Y453-W492 HydrophobicContact CE1-CD2 4.04Å; Y453-W492 AromaticContact CE1-CE2 3.88Å; Y453-W492 AromaticContact CE1-CG 3.82Å; Y453-W492 HydrophobicContact CE1-CG 3.82Å; Y453-W492 AromaticContact CE1-NE1 3.5Å; Y453-W492 HydrophobicContact CE2-CB 3.67Å; Y453-W492 AromaticContact CE2-CD2 3.93Å; Y453-W492 HydrophobicContact CE2-CD2 3.93Å; Y453-W492 HydrophobicContact CE2-CE3 4.3Å; Y453-W492 AromaticContact CE2-CG 3.67Å; Y453-W492 HydrophobicContact CE2-CG 3.67Å; Y453-W492 AromaticContact CG-CD2 3.9Å; Y453-W492 HydrophobicContact CG-CD2 3.9Å; Y453-W492 AromaticContact CG-CE2 3.93Å; Y453-W492 HydrophobicContact CG-CE3 4.05Å; Y453-W492 HydrophobicContact CG-CG 4.41Å; Y453-W492 HydrophobicContact CG-CH2 4.3Å; Y453-W492 HydrophobicContact CG-CZ2 4.16Å; Y453-W492 HydrophobicContact CG-CZ3 4.25Å; Y453-W492 AromaticContact CZ-CD1 3.49Å; Y453-W492 VanDerWaalsContact CZ-CD1 3.49Å; Y453-W492 AromaticContact CZ-CG 3.48Å; Y453-W492 VanDerWaalsContact CZ-CG 3.48Å; Y453-W492 AromaticContact CZ-NE1 4Å; V472-W492 HydrophobicContact CB-CD2 4.04Å; V472-W492 HydrophobicContact CB-CE3 4.47Å; V472-W492 HydrophobicContact CB-CH2 4.35Å; V472-W492 HydrophobicContact CB-CZ2 3.89Å; V472-W492 HydrophobicContact CG1-CD2 4.45Å; V472-W492 HydrophobicContact CG1-CH2 4.23Å; V472-W492 HydrophobicContact CG1-CZ2 3.5Å; V472-W492 HydrophobicContact CG2-CH2 4.44Å; V472-W492 HydrophobicContact CG2-CZ2 4.44Å; V472-W492 PolarHBondContact N-O 2.9Å; V472-W492 PolarHBondContact O-N 2.87Å; T474-W492 HydrophobicContact CG2-CZ2 4.38Å; T474-W492 PolarHBondContact OG1-NE1 3.22Å; W492-L497 HydrophobicContact CE3-CD2 4.38Å; W492-L497 HydrophobicContact CZ3-CD2 3.82Å; W492-K498 WeakPolarHBondContact CA-O 3.43Å; W492-K498 VanDerWaalsContact CB-O 3.27Å; W492-K498 WeakPolarHBondContact CB-O 3.46Å
493	S	98.1	Very high	95.8	Very high	15 Å²	15	44.9 Å²	44.9	11%	0.105	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.3	178.1	134.5	0	0	0	0	110.3	V495 D496 L497 K498	S493-V495 PolarHBondContact O-N 3.04Å; S493-V495 PolarHBondContact OG-N 3.14Å; S493-D496 WeakPolarHBondContact CB-OD1 3.48Å; S493-D496 PolarHBondContact OG-N 2.97Å; S493-D496 PolarHBondContact OG-OD1 2.87Å; S493-L497 WeakPolarHBondContact O-CA 3.45Å; S493-L497 PolarHBondContact O-N 3Å; S493-K498 PolarHBondContact N-O 3.06Å; S493-K498 VanDerWaalsContact N-O 3.16Å
494	S	97.5	Very high	96.5	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.007	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-20.2	178.8	62.8	0	0	0	0	113.3	R451 I470	R451-S494 PolarHBondContact NH1-O 3.18Å; R451-S494 PolarHBondContact NH2-O 3.3Å; I470-S494 PolarHBondContact O-N 2.87Å; I470-S494 PolarHBondContact O-OG 2.94Å; I470-S494 VanDerWaalsContact O-OG 3.13Å
495	V	96.2	Very high	96.9	Very high	88 Å²	88	39.4 Å²	39.4	53%	0.533	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-60.5	-177.3	176.5	0	0	0	0	110.6	R451 I470 S493	R451-V495 PolarHBondContact NH1-O 2.85Å; I470-V495 HydrophobicContact CG2-CG2 4.01Å; S493-V495 PolarHBondContact O-N 3.04Å; S493-V495 PolarHBondContact OG-N 3.14Å
496	D	95.6	Very high	97.1	Very high	92 Å²	92	41.1 Å²	41.1	49%	0.492	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	0.7	-176.9	73.5	-22.6	0	0	0	114.2	S493 K498	S493-D496 WeakPolarHBondContact CB-OD1 3.48Å; S493-D496 PolarHBondContact OG-N 2.97Å; S493-D496 PolarHBondContact OG-OD1 2.87Å; D496-K498 VanDerWaalsContact CG-CB 3.47Å; D496-K498 PolarHBondContact O-N 3.45Å; D496-K498 VanDerWaalsContact O-N 3.1Å; D496-K498 WeakPolarHBondContact OD1-CB 3.27Å; D496-K498 PolarHBondContact OD1-N 3.28Å; D496-K498 VanDerWaalsContact OD2-CB 3.24Å; D496-K498 WeakPolarHBondContact OD2-CB 3.39Å
497	L	97.6	Very high	97.1	Very high	41 Å²	41	39.8 Å²	39.8	22%	0.215	21%	0.214	C	C	.	.			trans	57.5	17.9	-178.5	-52.9	-179.5	0	0	0	114.4	L442 R451 Y453 W492 S493	L442-L497 HydrophobicContact CD1-CD2 3.78Å; L442-L497 HydrophobicContact CD2-CD2 4.1Å; R451-L497 HydrophobicContact CB-CD1 4.06Å; Y453-L497 WeakPolarHBondContact CD2-O 3.45Å; Y453-L497 WeakPolarHBondContact CE2-O 3.49Å; W492-L497 HydrophobicContact CE3-CD2 4.38Å; W492-L497 HydrophobicContact CZ3-CD2 3.82Å; S493-L497 WeakPolarHBondContact O-CA 3.45Å; S493-L497 PolarHBondContact O-N 3Å
498	K	98	Very high	97.1	Very high	132 Å²	132	40 Å²	40	57%	0.574	22%	0.215	S	C	*	.			trans	-84.7	131.1	-174	-175.6	176.2	178.7	177.3	0	111.8	W492 S493 D496 L500	W492-K498 WeakPolarHBondContact CA-O 3.43Å; W492-K498 VanDerWaalsContact CB-O 3.27Å; W492-K498 WeakPolarHBondContact CB-O 3.46Å; S493-K498 PolarHBondContact N-O 3.06Å; S493-K498 VanDerWaalsContact N-O 3.16Å; D496-K498 VanDerWaalsContact CG-CB 3.47Å; D496-K498 PolarHBondContact O-N 3.45Å; D496-K498 VanDerWaalsContact O-N 3.1Å; D496-K498 WeakPolarHBondContact OD1-CB 3.27Å; D496-K498 PolarHBondContact OD1-N 3.28Å; D496-K498 VanDerWaalsContact OD2-CB 3.24Å; D496-K498 WeakPolarHBondContact OD2-CB 3.39Å; K498-L500 PolarHBondContact O-N 2.81Å; K498-L500 VanDerWaalsContact O-N 3.15Å
499	T	98.2	Very high	96.9	Very high	35 Å²	35	45 Å²	45	22%	0.215	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	114.1	166.5	-52	0	0	0	0	110.2	Y453 R490 K501 I502	Y453-T499 PolarHBondContact OH-OG1 2.6Å; R490-T499 PolarHBondContact NH1-OG1 2.73Å; T499-K501 WeakPolarHBondContact CG2-O 3.46Å; T499-I502 HydrophobicContact CG2-CD1 4.41Å; T499-I502 HydrophobicContact CG2-CG1 3.78Å
500	L	98	Very high	96.8	Very high	71 Å²	71	50.1 Å²	50.1	37%	0.372	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-40	175.8	-58.1	175.9	0	0	0	111.1	T471 I491 K498	T471-L500 HydrophobicContact CG2-CD1 4.31Å; I491-L500 WeakPolarHBondContact O-CA 3.46Å; I491-L500 WeakPolarHBondContact O-CB 2.92Å; I491-L500 PolarHBondContact O-N 3.05Å; K498-L500 PolarHBondContact O-N 2.81Å; K498-L500 VanDerWaalsContact O-N 3.15Å
501	K	97.6	Very high	96.7	Very high	73 Å²	73	49.8 Å²	49.8	32%	0.317	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	153.2	-178.1	-60.7	-73.8	156.5	160.8	0	111.2	I491 T499 W542 Q543 S545	I491-K501 HydrophobicContact CB-CB 4.23Å; I491-K501 HydrophobicContact CD1-CB 4.1Å; I491-K501 PolarHBondContact N-O 2.97Å; I491-K501 PolarHBondContact O-N 3.4Å; T499-K501 WeakPolarHBondContact CG2-O 3.46Å; K501-W542 HydrophobicContact CG-CE3 4.08Å; K501-W542 HydrophobicContact CG-CZ3 4.42Å; K501-W542 WeakPolarHBondContact CG-O 3.05Å; K501-Q543 VanDerWaalsContact CE-O 3.26Å; K501-Q543 WeakPolarHBondContact CE-O 3.3Å; K501-Q543 PolarHBondContact NZ-O 3.09Å; K501-S545 WeakPolarHBondContact CD-OG 3.38Å
502	I	97.4	Very high	96.7	Very high	49 Å²	49	49.8 Å²	49.8	25%	0.251	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.5	161.2	-48.4	178	0	0	0	106.7	F484 H488 V489 R490 T499 L505	F484-I502 HydrophobicContact CE1-CD1 4.18Å; H488-I502 HydrophobicContact CB-CG2 4.26Å; V489-I502 WeakPolarHBondContact O-CA 3.29Å; R490-I502 HydrophobicContact CG-CG1 4.37Å; R490-I502 HydrophobicContact CG-CG2 4.45Å; T499-I502 HydrophobicContact CG2-CD1 4.41Å; T499-I502 HydrophobicContact CG2-CG1 3.78Å; I502-L505 HydrophobicContact CB-CD1 4.36Å; I502-L505 HydrophobicContact CG2-CD1 3.65Å; I502-L505 HydrophobicContact CG2-CG 3.84Å
503	I	97.7	Very high	96.6	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.026	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	152.9	-179.9	65.4	175	0	0	0	111.8	V489 I491 L505 L526 W540	V489-I503 HydrophobicContact CB-CD1 4.2Å; V489-I503 HydrophobicContact CB-CG1 3.73Å; V489-I503 HydrophobicContact CG1-CD1 4.41Å; V489-I503 HydrophobicContact CG1-CG1 4.32Å; V489-I503 PolarHBondContact N-O 3.3Å; V489-I503 VanDerWaalsContact N-O 3.1Å; V489-I503 PolarHBondContact O-N 2.85Å; I491-I503 HydrophobicContact CD1-CD1 3.89Å; I491-I503 HydrophobicContact CD1-CG1 3.91Å; I491-I503 HydrophobicContact CD1-CG2 4.19Å; I503-L505 VanDerWaalsContact C-N 3.31Å; I503-L505 PolarHBondContact O-N 3.3Å; I503-L526 HydrophobicContact CD1-CD2 3.99Å; I503-W540 HydrophobicContact CB-CD2 4.46Å; I503-W540 HydrophobicContact CB-CE3 3.89Å; I503-W540 HydrophobicContact CB-CZ3 4.04Å; I503-W540 HydrophobicContact CD1-CB 3.96Å; I503-W540 HydrophobicContact CD1-CD2 3.83Å; I503-W540 HydrophobicContact CD1-CE3 4.08Å; I503-W540 HydrophobicContact CD1-CG 3.77Å; I503-W540 HydrophobicContact CG1-CD2 4.48Å; I503-W540 HydrophobicContact CG1-CE3 4.39Å; I503-W540 HydrophobicContact CG2-CE3 4.4Å
504	G	95.4	Very high	96.6	Very high	3 Å²	3	50.2 Å²	50.2	3%	0.031	26%	0.259	C	S	.	.			trans	67.2	19.9	174.9	0	0	0	0	0	116.6	G506 E507 F508 W540	G504-G506 PolarHBondContact O-N 2.94Å; G504-E507 PolarHBondContact O-N 3.36Å; G504-F508 WeakPolarHBondContact O-CD2 3.4Å; G504-F508 PolarHBondContact O-N 2.73Å; G504-W540 VanDerWaalsContact CA-CH2 3.46Å
505	L	93.7	Very high	96.7	Very high	75 Å²	75	50.8 Å²	50.8	39%	0.393	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	99.8	176.2	-91.9	168.7	0	0	0	111.5	F484 H488 I502 I503	F484-L505 HydrophobicContact CD1-CD1 4.13Å; F484-L505 HydrophobicContact CD1-CD2 4.1Å; F484-L505 HydrophobicContact CE1-CD1 4.07Å; H488-L505 HydrophobicContact CB-CD2 3.71Å; H488-L505 HydrophobicContact CB-CG 3.83Å; I502-L505 HydrophobicContact CB-CD1 4.36Å; I502-L505 HydrophobicContact CG2-CD1 3.65Å; I502-L505 HydrophobicContact CG2-CG 3.84Å; I503-L505 VanDerWaalsContact C-N 3.31Å; I503-L505 PolarHBondContact O-N 3.3Å
506	G	92.1	Very high	96.8	Very high	43 Å²	43	47 Å²	47	44%	0.443	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	16.2	-175.3	0	0	0	0	0	115.2	G504	G504-G506 PolarHBondContact O-N 2.94Å
507	E	95.6	Very high	96.9	Very high	96 Å²	96	42.6 Å²	42.6	45%	0.449	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-33.1	165.1	-62.4	-173.7	-114.9	0	0	112.1	G504 W540 K547	G504-E507 PolarHBondContact O-N 3.36Å; E507-W540 HydrophobicContact CB-CH2 4.5Å; E507-W540 WeakPolarHBondContact OE1-CH2 3.48Å; E507-K547 WeakPolarHBondContact OE2-CE 3.25Å; E507-K547 IonicContact OE2-NZ 3.2Å; E507-K547 PolarHBondContact OE2-NZ 3.06Å
508	F	96.9	Very high	96.9	Very high	12 Å²	12	40.6 Å²	40.6	5%	0.053	21%	0.206	C	C	.	.	S	Bend	trans	-82.9	143.2	175.8	-63	-62.3	0	0	0	112.3	P487 V489 G504 V512 A528 D530 W540	P487-F508 HydrophobicContact CB-CB 3.93Å; V489-F508 HydrophobicContact CB-CE2 4.46Å; V489-F508 HydrophobicContact CG2-CE2 3.73Å; V489-F508 HydrophobicContact CG2-CZ 4.07Å; G504-F508 WeakPolarHBondContact O-CD2 3.4Å; G504-F508 PolarHBondContact O-N 2.73Å; F508-V512 HydrophobicContact CB-CG2 4.05Å; F508-V512 HydrophobicContact CD1-CG2 4.24Å; F508-V512 HydrophobicContact CD2-CG2 3.74Å; F508-V512 HydrophobicContact CE2-CG2 4.17Å; F508-V512 HydrophobicContact CG-CG2 3.77Å; F508-A528 HydrophobicContact CE1-CB 3.83Å; F508-A528 HydrophobicContact CZ-CB 3.72Å; F508-D530 HydrophobicContact CB-CB 4.26Å; F508-D530 HydrophobicContact CD1-CB 3.96Å; F508-W540 HydrophobicContact CE1-CZ2 4.02Å; F508-W540 HydrophobicContact CE2-CZ2 4.12Å; F508-W540 AromaticContact CZ-CE2 3.75Å; F508-W540 AromaticContact CZ-CZ2 3.59Å; F508-W540 HydrophobicContact CZ-CZ2 3.59Å; F508-W540 AromaticContact CZ-NE1 3.65Å
509	E	95.5	Very high	96.8	Very high	107 Å²	107	37.4 Å²	37.4	50%	0.5	19%	0.192	S	C	.	.			trans	-100.9	143.1	174.6	-66	-170.1	179.2	0	0	113.3	S511 D530 E531 A532	E509-S511 VanDerWaalsContact C-N 3.26Å; E509-S511 PolarHBondContact O-N 3.28Å; E509-D530 PolarHBondContact N-OD2 2.69Å; E509-E531 PolarHBondContact O-N 3.23Å; E509-A532 HydrophobicContact CB-CB 3.88Å; E509-A532 HydrophobicContact CG-CB 4.35Å
510	R	95.2	Very high	96.7	Very high	106 Å²	106	38.9 Å²	38.9	40%	0.4	20%	0.2	S	C	.	.	S	Bend	trans	57.4	-58.6	175.5	-51	-163.8	-173.4	112.1	-6.9	117.6	Y231 A478 P487 E531 T533	Y231-R510 WeakPolarHBondContact OH-CD 3.44Å; A478-R510 WeakPolarHBondContact CB-O 3.23Å; A478-R510 PolarHBondContact N-O 2.88Å; P487-R510 VanDerWaalsContact CG-C 3.44Å; P487-R510 WeakPolarHBondContact CG-O 3.41Å; R510-E531 HydrophobicContact CB-CB 4.2Å; R510-E531 VanDerWaalsContact CD-O 3.31Å; R510-E531 WeakPolarHBondContact CD-O 3.41Å; R510-E531 PolarHBondContact NH1-O 3.05Å; R510-T533 PolarHBondContact NH2-OG1 2.83Å
511	S	97	Very high	96.5	Very high	2 Å²	2	37 Å²	37	1%	0.014	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-163.9	157.3	176.9	-165.4	0	0	0	0	110.9	K461 S477 E509 D530 E531	K461-S511 WeakPolarHBondContact CG-OG 3.2Å; S477-S511 VanDerWaalsContact CA-OG 3.29Å; S477-S511 WeakPolarHBondContact CA-OG 3.28Å; S477-S511 PolarHBondContact N-OG 3.48Å; S477-S511 PolarHBondContact OG-OG 2.93Å; E509-S511 VanDerWaalsContact C-N 3.26Å; E509-S511 PolarHBondContact O-N 3.28Å; S511-D530 CarbonylContact O-C 3.5Å; S511-D530 VanDerWaalsContact O-CA 3.25Å; S511-D530 WeakPolarHBondContact O-CA 3.13Å; S511-D530 WeakPolarHBondContact O-CB 3.5Å; S511-E531 PolarHBondContact O-N 2.76Å
512	V	98.2	Very high	96.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	112.6	170.5	-173.3	0	0	0	0	108.9	C462 Q476 P487 V489 F508 L515 A528	C462-V512 PolarHBondContact SG-O 2.92Å; Q476-V512 PolarHBondContact O-N 3.04Å; P487-V512 HydrophobicContact CB-CG2 4.41Å; V489-V512 HydrophobicContact CG2-CB 4.32Å; V489-V512 HydrophobicContact CG2-CG1 3.85Å; V489-V512 HydrophobicContact CG2-CG2 4.05Å; F508-V512 HydrophobicContact CB-CG2 4.05Å; F508-V512 HydrophobicContact CD1-CG2 4.24Å; F508-V512 HydrophobicContact CD2-CG2 3.74Å; F508-V512 HydrophobicContact CE2-CG2 4.17Å; F508-V512 HydrophobicContact CG-CG2 3.77Å; V512-L515 HydrophobicContact CG1-CD2 4.27Å; V512-L515 HydrophobicContact CG1-CG 4.41Å; V512-A528 HydrophobicContact CG1-CB 4.3Å
513	C	97.2	Very high	96.4	Very high	15 Å²	15	35.5 Å²	35.5	10%	0.101	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-21.9	-167.9	66.6	0	0	0	0	114.8	C462 V529 E531	C462-C513 WeakPolarHBondContact CB-O 3.14Å; C513-V529 PolarHBondContact N-O 3.08Å; C513-V529 PolarHBondContact SG-O 3.37Å; C513-E531 HydrophobicContact CB-CG 3.7Å; C513-E531 WeakPolarHBondContact CB-OE1 3.41Å
514	C	98	Very high	96.3	Very high	8 Å²	8	37.6 Å²	37.6	5%	0.054	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	142.9	177.6	-62.8	0	0	0	0	111.6	A528 V529 A560 V561	C514-A528 WeakPolarHBondContact O-CA 2.94Å; C514-V529 HydrophobicContact CB-CB 4.14Å; C514-V529 HydrophobicContact CB-CG2 4.37Å; C514-V529 PolarHBondContact N-O 3.2Å; C514-V529 PolarHBondContact O-N 3.49Å; C514-A560 VanDerWaalsContact SG-CA 3.6Å; C514-V561 HydrophobicContact CB-CB 4.15Å; C514-V561 HydrophobicContact CB-CG1 3.75Å
515	L	98.4	Very high	96.5	Very high	13 Å²	13	38.9 Å²	38.9	7%	0.068	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	146.2	176.2	-73.4	169.2	0	0	0	110.8	C462 A464 A473 V489 V512 L526 C527 A528	C462-L515 VanDerWaalsContact SG-CG 3.59Å; A464-L515 HydrophobicContact CB-CB 3.72Å; A473-L515 HydrophobicContact CB-CD1 4.18Å; V489-L515 HydrophobicContact CG1-CD1 4.01Å; V489-L515 HydrophobicContact CG1-CD2 3.95Å; V489-L515 HydrophobicContact CG2-CD2 3.83Å; V512-L515 HydrophobicContact CG1-CD2 4.27Å; V512-L515 HydrophobicContact CG1-CG 4.41Å; L515-L526 HydrophobicContact CB-CD1 4.5Å; L515-L526 HydrophobicContact CD2-CD1 4.11Å; L515-L526 HydrophobicContact CD2-CD2 4.48Å; L515-L526 HydrophobicContact CD2-CG 4.35Å; L515-C527 WeakPolarHBondContact CA-O 3.4Å; L515-A528 HydrophobicContact CD2-CB 3.69Å
516	S	98.4	Very high	96.7	Very high	8 Å²	8	35.3 Å²	35.3	6%	0.056	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	127.4	167.7	-163.7	0	0	0	0	112.3	C527 E562 F563	S516-C527 PolarHBondContact N-O 3.3Å; S516-C527 PolarHBondContact O-N 2.88Å; S516-E562 WeakPolarHBondContact OG-CA 3.42Å; S516-F563 WeakPolarHBondContact O-CD2 3.26Å; S516-F563 WeakPolarHBondContact O-CE2 3.39Å; S516-F563 PolarHBondContact OG-N 2.87Å
517	F	98.5	Very high	97	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	141.2	166.7	-71.9	-74.7	0	0	0	111.1	A464 H466 T471 A473 I491 K519 K525 L526 W542	A464-F517 HydrophobicContact CB-CD2 4.08Å; A464-F517 HydrophobicContact CB-CE2 4.4Å; A464-F517 WeakPolarHBondContact O-CE2 3.5Å; H466-F517 HydrophobicContact CB-CD2 3.78Å; H466-F517 HydrophobicContact CB-CE2 3.75Å; H466-F517 HydrophobicContact CB-CG 4.19Å; H466-F517 HydrophobicContact CB-CZ 4.14Å; H466-F517 AromaticContact CD2-CD1 3.58Å; H466-F517 AromaticContact CD2-CE1 3.75Å; H466-F517 AromaticContact CD2-CG 3.84Å; T471-F517 HydrophobicContact CG2-CZ 4.3Å; A473-F517 HydrophobicContact CB-CE2 3.58Å; A473-F517 HydrophobicContact CB-CZ 3.55Å; I491-F517 HydrophobicContact CG2-CZ 4.25Å; F517-K519 WeakPolarHBondContact O-CD 3.48Å; F517-K519 VanDerWaalsContact O-CE 3.24Å; F517-K519 WeakPolarHBondContact O-CE 3.44Å; F517-K519 PolarHBondContact O-NZ 2.96Å; F517-K525 WeakPolarHBondContact CA-O 3.23Å; F517-L526 HydrophobicContact CD1-CB 4.01Å; F517-L526 HydrophobicContact CD1-CD1 3.83Å; F517-L526 HydrophobicContact CD1-CG 4.37Å; F517-L526 HydrophobicContact CD2-CD1 4.28Å; F517-L526 HydrophobicContact CE1-CB 4.05Å; F517-L526 HydrophobicContact CE1-CD1 3.96Å; F517-L526 HydrophobicContact CE1-CD2 4.05Å; F517-L526 HydrophobicContact CE1-CG 4.25Å; F517-L526 HydrophobicContact CE2-CD1 4.39Å; F517-L526 HydrophobicContact CG-CD1 4.02Å; F517-L526 HydrophobicContact CZ-CD1 4.26Å; F517-L526 HydrophobicContact CZ-CD2 4.3Å; F517-W542 AromaticContact CD1-NE1 3.97Å; F517-W542 AromaticContact CE1-CD1 3.73Å; F517-W542 HydrophobicContact CE1-CD2 4.34Å; F517-W542 HydrophobicContact CE1-CG 4.17Å; F517-W542 AromaticContact CE1-NE1 3.6Å
518	S	97.9	Very high	97.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.15	C	C	.	.			trans	-59.9	161.5	166.9	53.8	0	0	0	0	111.7	P467 D521 G523 K525 F563	P467-S518 VanDerWaalsContact CG-O 3.26Å; P467-S518 WeakPolarHBondContact CG-O 3.48Å; S518-D521 WeakPolarHBondContact CB-OD1 3.46Å; S518-D521 PolarHBondContact OG-OD1 3.03Å; S518-D521 PolarHBondContact OG-OD2 3.29Å; S518-D521 VanDerWaalsContact OG-OD2 3.13Å; S518-G523 VanDerWaalsContact O-CA 3.23Å; S518-G523 WeakPolarHBondContact O-CA 3.32Å; S518-K525 PolarHBondContact N-O 2.93Å; S518-K525 WeakPolarHBondContact OG-CB 3.26Å; S518-K525 PolarHBondContact OG-N 3.11Å; S518-K525 VanDerWaalsContact OG-N 3.11Å; S518-K525 PolarHBondContact OG-O 3.43Å; S518-K525 VanDerWaalsContact OG-O 3.12Å; S518-F563 VanDerWaalsContact N-CD2 3.27Å
519	K	95.6	Very high	97.2	Very high	65 Å²	65	28.1 Å²	28.1	28%	0.283	15%	0.148	S	C	.	.	S	Bend	trans	-117	-52.8	-170.8	-51.9	-54.9	-178.5	-151.6	0	113.5	P467 F517 D521 S522 P565	P467-K519 HydrophobicContact CG-CD 4.04Å; F517-K519 WeakPolarHBondContact O-CD 3.48Å; F517-K519 VanDerWaalsContact O-CE 3.24Å; F517-K519 WeakPolarHBondContact O-CE 3.44Å; F517-K519 PolarHBondContact O-NZ 2.96Å; K519-D521 PolarHBondContact O-N 2.8Å; K519-S522 PolarHBondContact O-N 2.98Å; K519-P565 WeakPolarHBondContact CB-O 3.18Å
520	T	95.4	Very high	97.3	Very high	65 Å²	65	23.2 Å²	23.2	40%	0.399	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-32.6	-176	38.7	0	0	0	0	114.6	S522 L566 D568	T520-S522 PolarHBondContact O-N 3.01Å; T520-L566 VanDerWaalsContact CG2-C 3.41Å; T520-D568 VanDerWaalsContact OG1-CB 3.27Å; T520-D568 WeakPolarHBondContact OG1-CB 3.33Å; T520-D568 PolarHBondContact OG1-N 3.04Å; T520-D568 PolarHBondContact OG1-OD1 3.38Å
521	D	95.4	Very high	97.4	Very high	33 Å²	33	19.6 Å²	19.6	18%	0.176	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	19	178.3	72.7	-15.7	0	0	0	113.4	S518 K519 G523 V524 K525 D568	S518-D521 WeakPolarHBondContact CB-OD1 3.46Å; S518-D521 PolarHBondContact OG-OD1 3.03Å; S518-D521 PolarHBondContact OG-OD2 3.29Å; S518-D521 VanDerWaalsContact OG-OD2 3.13Å; K519-D521 PolarHBondContact O-N 2.8Å; D521-G523 PolarHBondContact O-N 3.39Å; D521-G523 PolarHBondContact OD1-N 2.93Å; D521-V524 WeakPolarHBondContact O-CG2 3.2Å; D521-V524 PolarHBondContact OD1-N 3.46Å; D521-K525 WeakPolarHBondContact OD2-CG 3.41Å; D521-K525 IonicContact OD2-NZ 2.99Å; D521-K525 PolarHBondContact OD2-NZ 2.84Å; D521-D568 HydrophobicContact CB-CB 4.33Å
522	S	94.9	Very high	97.3	Very high	89 Å²	89	19.8 Å²	19.8	62%	0.622	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	21.8	-172.3	-53.7	0	0	0	0	114.9	H466 K519 T520	H466-S522 PolarHBondContact CE1-O 3.26Å; H466-S522 VanDerWaalsContact CE1-O 3.32Å; H466-S522 PolarHBondContact NE2-O 3.39Å; K519-S522 PolarHBondContact O-N 2.98Å; T520-S522 PolarHBondContact O-N 3.01Å
523	G	96.8	Very high	97.2	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	18.5	171.2	0	0	0	0	0	115.5	H466 S518 D521 K525 W542	H466-G523 WeakPolarHBondContact NE2-CA 3.33Å; H466-G523 PolarHBondContact NE2-O 3.5Å; S518-G523 VanDerWaalsContact O-CA 3.23Å; S518-G523 WeakPolarHBondContact O-CA 3.32Å; D521-G523 PolarHBondContact O-N 3.39Å; D521-G523 PolarHBondContact OD1-N 2.93Å; G523-K525 PolarHBondContact O-N 3.34Å; G523-W542 PolarHBondContact O-NE1 3.37Å
524	V	97.1	Very high	97.1	Very high	49 Å²	49	25.8 Å²	25.8	30%	0.297	15%	0.148	S	C	.	.			trans	-60.8	-26.7	179.8	171.3	0	0	0	0	112.8	D521 W542	D521-V524 WeakPolarHBondContact O-CG2 3.2Å; D521-V524 PolarHBondContact OD1-N 3.46Å; V524-W542 VanDerWaalsContact O-CD1 3.28Å
525	K	97.9	Very high	97.1	Very high	31 Å²	31	26.1 Å²	26.1	14%	0.135	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	138.3	177.3	-54.4	173.6	-163.9	77.5	0	111.4	F517 S518 D521 G523 I539 W540 F563 D568 F584	F517-K525 WeakPolarHBondContact CA-O 3.23Å; S518-K525 PolarHBondContact N-O 2.93Å; S518-K525 WeakPolarHBondContact OG-CB 3.26Å; S518-K525 PolarHBondContact OG-N 3.11Å; S518-K525 VanDerWaalsContact OG-N 3.11Å; S518-K525 PolarHBondContact OG-O 3.43Å; S518-K525 VanDerWaalsContact OG-O 3.12Å; D521-K525 WeakPolarHBondContact OD2-CG 3.41Å; D521-K525 IonicContact OD2-NZ 2.99Å; D521-K525 PolarHBondContact OD2-NZ 2.84Å; G523-K525 PolarHBondContact O-N 3.34Å; K525-I539 HydrophobicContact CB-CG2 4.09Å; K525-I539 HydrophobicContact CD-CG2 4.4Å; K525-I539 HydrophobicContact CG-CG2 4.42Å; K525-W540 WeakPolarHBondContact CA-O 3.35Å; K525-F563 HydrophobicContact CB-CE2 4.41Å; K525-F563 HydrophobicContact CB-CZ 4Å; K525-D568 IonicContact NZ-OD2 3.39Å; K525-D568 PolarHBondContact NZ-OD2 3.43Å; K525-F584 HydrophobicContact CD-CD1 4.27Å; K525-F584 HydrophobicContact CD-CE1 3.89Å
526	L	98.5	Very high	97.1	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122	169.7	178.6	56.3	0	0	0	109.2	A473 V489 I491 I503 L515 F517 W540 W542	A473-L526 HydrophobicContact CB-CD1 4.25Å; A473-L526 HydrophobicContact CB-CD2 3.81Å; V489-L526 HydrophobicContact CG1-CD2 4.13Å; I491-L526 HydrophobicContact CD1-CD2 4.08Å; I491-L526 HydrophobicContact CG1-CD2 3.93Å; I503-L526 HydrophobicContact CD1-CD2 3.99Å; L515-L526 HydrophobicContact CB-CD1 4.5Å; L515-L526 HydrophobicContact CD2-CD1 4.11Å; L515-L526 HydrophobicContact CD2-CD2 4.48Å; L515-L526 HydrophobicContact CD2-CG 4.35Å; F517-L526 HydrophobicContact CD1-CB 4.01Å; F517-L526 HydrophobicContact CD1-CD1 3.83Å; F517-L526 HydrophobicContact CD1-CG 4.37Å; F517-L526 HydrophobicContact CD2-CD1 4.28Å; F517-L526 HydrophobicContact CE1-CB 4.05Å; F517-L526 HydrophobicContact CE1-CD1 3.96Å; F517-L526 HydrophobicContact CE1-CD2 4.05Å; F517-L526 HydrophobicContact CE1-CG 4.25Å; F517-L526 HydrophobicContact CE2-CD1 4.39Å; F517-L526 HydrophobicContact CG-CD1 4.02Å; F517-L526 HydrophobicContact CZ-CD1 4.26Å; F517-L526 HydrophobicContact CZ-CD2 4.3Å; L526-W540 PolarHBondContact N-O 3.08Å; L526-W540 PolarHBondContact O-N 2.88Å; L526-W542 HydrophobicContact CB-CB 4.16Å; L526-W542 HydrophobicContact CB-CG 4.43Å; L526-W542 HydrophobicContact CD2-CB 4.35Å
527	C	98.5	Very high	97.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	135.8	170.5	-177.6	0	0	0	0	109	L515 S516 S538 F563 L571	L515-C527 WeakPolarHBondContact CA-O 3.4Å; S516-C527 PolarHBondContact N-O 3.3Å; S516-C527 PolarHBondContact O-N 2.88Å; C527-S538 CarbonylContact C-O 3.56Å; C527-S538 WeakPolarHBondContact CA-O 3.47Å; C527-F563 HydrophobicContact CB-CD2 4.09Å; C527-F563 HydrophobicContact CB-CE2 3.47Å; C527-F563 VanDerWaalsContact CB-CE2 3.47Å; C527-F563 HydrophobicContact CB-CZ 4.11Å; C527-L571 HydrophobicContact CB-CD2 4.47Å
528	A	98.6	Very high	97.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.7	174.6	0	0	0	0	0	110.2	F508 V512 C514 L515 S538	F508-A528 HydrophobicContact CE1-CB 3.83Å; F508-A528 HydrophobicContact CZ-CB 3.72Å; V512-A528 HydrophobicContact CG1-CB 4.3Å; C514-A528 WeakPolarHBondContact O-CA 2.94Å; L515-A528 HydrophobicContact CD2-CB 3.69Å; A528-S538 PolarHBondContact N-O 2.94Å; A528-S538 PolarHBondContact O-N 2.89Å; A528-S538 PolarHBondContact O-OG 2.98Å; A528-S538 VanDerWaalsContact O-OG 3.06Å
529	V	98.5	Very high	97.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.6	170.6	-173.5	0	0	0	0	109.3	C513 C514 H535 V536 I537 I558 V561	C513-V529 PolarHBondContact N-O 3.08Å; C513-V529 PolarHBondContact SG-O 3.37Å; C514-V529 HydrophobicContact CB-CB 4.14Å; C514-V529 HydrophobicContact CB-CG2 4.37Å; C514-V529 PolarHBondContact N-O 3.2Å; C514-V529 PolarHBondContact O-N 3.49Å; V529-H535 HydrophobicContact CG1-CB 4.34Å; V529-V536 WeakPolarHBondContact CA-O 3.27Å; V529-I537 HydrophobicContact CG2-CB 4.09Å; V529-I537 HydrophobicContact CG2-CD1 4.28Å; V529-I537 HydrophobicContact CG2-CG1 3.98Å; V529-I558 HydrophobicContact CG1-CB 4.19Å; V529-I558 HydrophobicContact CG1-CG1 4.07Å; V529-I558 HydrophobicContact CG1-CG2 4.18Å; V529-V561 HydrophobicContact CG2-CB 4.01Å; V529-V561 HydrophobicContact CG2-CG1 4.12Å; V529-V561 HydrophobicContact CG2-CG2 4.17Å
530	D	98.1	Very high	97.2	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.016	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	178.8	177.9	80.1	3.3	0	0	0	113.8	F508 E509 S511 A532 H535 V536	F508-D530 HydrophobicContact CB-CB 4.26Å; F508-D530 HydrophobicContact CD1-CB 3.96Å; E509-D530 PolarHBondContact N-OD2 2.69Å; S511-D530 CarbonylContact O-C 3.5Å; S511-D530 VanDerWaalsContact O-CA 3.25Å; S511-D530 WeakPolarHBondContact O-CA 3.13Å; S511-D530 WeakPolarHBondContact O-CB 3.5Å; D530-A532 WeakPolarHBondContact OD1-CB 3.47Å; D530-A532 PolarHBondContact OD1-N 3.5Å; D530-H535 PolarHBondContact O-ND1 3.47Å; D530-V536 PolarHBondContact N-O 2.76Å; D530-V536 VanDerWaalsContact N-O 3.12Å; D530-V536 PolarHBondContact OD1-N 2.91Å
531	E	96.3	Very high	97.3	Very high	31 Å²	31	21.1 Å²	21.1	15%	0.145	12%	0.124	C	C	.	.			trans	-106	33.8	176.6	-55.8	-171.9	162.9	0	0	112.5	Y231 E509 R510 S511 C513	Y231-E531 HydrophobicContact CE2-CB 4.19Å; Y231-E531 HydrophobicContact CE2-CG 4.5Å; Y231-E531 VanDerWaalsContact CE2-OE2 3.27Å; Y231-E531 WeakPolarHBondContact CE2-OE2 3.46Å; Y231-E531 WeakPolarHBondContact OH-CB 3.08Å; Y231-E531 PolarHBondContact OH-OE2 3.26Å; E509-E531 PolarHBondContact O-N 3.23Å; R510-E531 HydrophobicContact CB-CB 4.2Å; R510-E531 VanDerWaalsContact CD-O 3.31Å; R510-E531 WeakPolarHBondContact CD-O 3.41Å; R510-E531 PolarHBondContact NH1-O 3.05Å; S511-E531 PolarHBondContact O-N 2.76Å; C513-E531 HydrophobicContact CB-CG 3.7Å; C513-E531 WeakPolarHBondContact CB-OE1 3.41Å
532	A	96	Very high	97.4	Very high	6 Å²	6	20.3 Å²	20.3	5%	0.05	12%	0.118	C	C	.	.	S	Bend	trans	-55.1	160.6	160.6	0	0	0	0	0	111	E509 D530 D534 H535 V536	E509-A532 HydrophobicContact CB-CB 3.88Å; E509-A532 HydrophobicContact CG-CB 4.35Å; D530-A532 WeakPolarHBondContact OD1-CB 3.47Å; D530-A532 PolarHBondContact OD1-N 3.5Å; A532-D534 PolarHBondContact O-N 2.84Å; A532-H535 PolarHBondContact O-N 2.85Å; A532-V536 HydrophobicContact CB-CG2 3.99Å
533	T	95	Very high	97.5	Very high	88 Å²	88	20.3 Å²	20.3	54%	0.54	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.2	-179.8	-51.1	0	0	0	0	113.7	R510	R510-T533 PolarHBondContact NH2-OG1 2.83Å
534	D	95.7	Very high	97.5	Very high	52 Å²	52	26.4 Å²	26.4	28%	0.278	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	15.5	175.1	-66.1	-87.6	0	0	0	113.7	A532 K552 C553 S554	A532-D534 PolarHBondContact O-N 2.84Å; D534-K552 HydrophobicContact CB-CB 4.21Å; D534-K552 HydrophobicContact CB-CD 3.67Å; D534-K552 HydrophobicContact CB-CG 3.77Å; D534-K552 VanDerWaalsContact CG-CE 3.42Å; D534-K552 IonicContact OD1-NZ 2.8Å; D534-K552 PolarHBondContact OD1-NZ 3.26Å; D534-K552 VanDerWaalsContact OD2-CE 3.23Å; D534-K552 WeakPolarHBondContact OD2-CE 3.47Å; D534-K552 IonicContact OD2-NZ 3.68Å; D534-K552 PolarHBondContact OD2-NZ 2.82Å; D534-C553 PolarHBondContact O-N 3.39Å; D534-S554 CarbonylContact C-O 3.53Å; D534-S554 PolarHBondContact O-N 2.84Å
535	H	97.1	Very high	97.4	Very high	15 Å²	15	26.7 Å²	26.7	7%	0.069	14%	0.139	C	C	.	.			trans	37.1	90.3	-172.8	-69.2	-74.4	0	0	0	113.4	V529 D530 A532 I537 C553 S554 P557 I558	V529-H535 HydrophobicContact CG1-CB 4.34Å; D530-H535 PolarHBondContact O-ND1 3.47Å; A532-H535 PolarHBondContact O-N 2.85Å; H535-I537 PolarHBondContact O-N 3.47Å; H535-C553 HydrophobicContact CB-CB 4.35Å; H535-C553 WeakPolarHBondContact O-CA 3.33Å; H535-C553 WeakPolarHBondContact O-CB 3.49Å; H535-C553 PolarHBondContact O-N 3.48Å; H535-S554 WeakPolarHBondContact CB-O 3.48Å; H535-S554 PolarHBondContact CD2-O 3.15Å; H535-S554 PolarHBondContact N-O 2.89Å; H535-P557 WeakPolarHBondContact NE2-CA 3.17Å; H535-I558 HydrophobicContact CB-CG1 4.04Å
536	V	98.3	Very high	97.3	Very high	33 Å²	33	31.6 Å²	31.6	20%	0.2	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	124	-175.5	-178.9	0	0	0	0	109.9	V529 D530 A532 E550	V529-V536 WeakPolarHBondContact CA-O 3.27Å; D530-V536 PolarHBondContact N-O 2.76Å; D530-V536 VanDerWaalsContact N-O 3.12Å; D530-V536 PolarHBondContact OD1-N 2.91Å; A532-V536 HydrophobicContact CB-CG2 3.99Å; V536-E550 HydrophobicContact CG1-CB 3.93Å; V536-E550 HydrophobicContact CG1-CG 4.48Å
537	I	98.6	Very high	97.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	130.7	166.5	-177.4	167.7	0	0	0	109	V529 H535 E550 T551 C553 V561 L571 W582 L589	V529-I537 HydrophobicContact CG2-CB 4.09Å; V529-I537 HydrophobicContact CG2-CD1 4.28Å; V529-I537 HydrophobicContact CG2-CG1 3.98Å; H535-I537 PolarHBondContact O-N 3.47Å; I537-E550 CarbonylContact O-C 3.49Å; I537-E550 VanDerWaalsContact O-CA 3.3Å; I537-E550 WeakPolarHBondContact O-CA 3.33Å; I537-T551 HydrophobicContact CG2-CG2 3.71Å; I537-T551 WeakPolarHBondContact CG2-O 3.23Å; I537-T551 PolarHBondContact N-O 2.86Å; I537-T551 PolarHBondContact O-N 3.17Å; I537-C553 HydrophobicContact CB-CB 3.96Å; I537-C553 HydrophobicContact CG2-CB 3.83Å; I537-V561 HydrophobicContact CD1-CG2 3.96Å; I537-L571 HydrophobicContact CD1-CD1 3.67Å; I537-W582 HydrophobicContact CG2-CH2 3.73Å; I537-W582 HydrophobicContact CG2-CZ2 4.02Å; I537-W582 HydrophobicContact CG2-CZ3 4.13Å; I537-L589 HydrophobicContact CG1-CD1 4.28Å; I537-L589 HydrophobicContact CG2-CD1 4.27Å
538	S	98.4	Very high	97.2	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	144.5	-173.6	60.8	0	0	0	0	111.6	C527 A528 W540 T549	C527-S538 CarbonylContact C-O 3.56Å; C527-S538 WeakPolarHBondContact CA-O 3.47Å; A528-S538 PolarHBondContact N-O 2.94Å; A528-S538 PolarHBondContact O-N 2.89Å; A528-S538 PolarHBondContact O-OG 2.98Å; A528-S538 VanDerWaalsContact O-OG 3.06Å; S538-W540 PolarHBondContact OG-NE1 2.81Å; S538-T549 WeakPolarHBondContact CA-O 3.39Å
539	I	98.4	Very high	97.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	134.2	176.1	-61.9	175.5	0	0	0	109.4	K525 I548 T549 F563 L571 F584 L589	K525-I539 HydrophobicContact CB-CG2 4.09Å; K525-I539 HydrophobicContact CD-CG2 4.4Å; K525-I539 HydrophobicContact CG-CG2 4.42Å; I539-I548 HydrophobicContact CG2-CD1 4.16Å; I539-I548 PolarHBondContact O-N 2.82Å; I539-T549 HydrophobicContact CB-CG2 4.24Å; I539-T549 HydrophobicContact CD1-CG2 4.38Å; I539-T549 HydrophobicContact CG1-CG2 4.46Å; I539-T549 PolarHBondContact N-O 2.83Å; I539-T549 PolarHBondContact O-N 2.73Å; I539-F563 HydrophobicContact CD1-CZ 4.38Å; I539-L571 HydrophobicContact CD1-CD2 3.87Å; I539-L571 HydrophobicContact CG1-CD2 4.41Å; I539-F584 HydrophobicContact CD1-CB 4.07Å; I539-F584 HydrophobicContact CD1-CD1 4.15Å; I539-F584 HydrophobicContact CD1-CD2 3.64Å; I539-F584 HydrophobicContact CD1-CE2 4.09Å; I539-F584 HydrophobicContact CD1-CG 3.68Å; I539-F584 HydrophobicContact CG2-CZ 4.44Å; I539-L589 HydrophobicContact CD1-CD1 3.95Å; I539-L589 HydrophobicContact CD1-CD2 3.98Å; I539-L589 HydrophobicContact CD1-CG 4.04Å; I539-L589 HydrophobicContact CG1-CD1 4.15Å
540	W	98.3	Very high	97.1	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136	-172.8	-60.7	77.8	0	0	0	111.9	I503 G504 E507 F508 K525 L526 S538 W542 K547	I503-W540 HydrophobicContact CB-CD2 4.46Å; I503-W540 HydrophobicContact CB-CE3 3.89Å; I503-W540 HydrophobicContact CB-CZ3 4.04Å; I503-W540 HydrophobicContact CD1-CB 3.96Å; I503-W540 HydrophobicContact CD1-CD2 3.83Å; I503-W540 HydrophobicContact CD1-CE3 4.08Å; I503-W540 HydrophobicContact CD1-CG 3.77Å; I503-W540 HydrophobicContact CG1-CD2 4.48Å; I503-W540 HydrophobicContact CG1-CE3 4.39Å; I503-W540 HydrophobicContact CG2-CE3 4.4Å; G504-W540 VanDerWaalsContact CA-CH2 3.46Å; E507-W540 HydrophobicContact CB-CH2 4.5Å; E507-W540 WeakPolarHBondContact OE1-CH2 3.48Å; F508-W540 HydrophobicContact CE1-CZ2 4.02Å; F508-W540 HydrophobicContact CE2-CZ2 4.12Å; F508-W540 AromaticContact CZ-CE2 3.75Å; F508-W540 AromaticContact CZ-CZ2 3.59Å; F508-W540 HydrophobicContact CZ-CZ2 3.59Å; F508-W540 AromaticContact CZ-NE1 3.65Å; K525-W540 WeakPolarHBondContact CA-O 3.35Å; L526-W540 PolarHBondContact N-O 3.08Å; L526-W540 PolarHBondContact O-N 2.88Å; S538-W540 PolarHBondContact OG-NE1 2.81Å; W540-W542 VanDerWaalsContact C-N 3.3Å; W540-W542 PolarHBondContact O-N 2.89Å; W540-K547 HydrophobicContact CD2-CB 4.07Å; W540-K547 HydrophobicContact CD2-CG 4.25Å; W540-K547 HydrophobicContact CE3-CB 3.82Å; W540-K547 HydrophobicContact CE3-CG 4.48Å; W540-K547 VanDerWaalsContact CE3-N 3.31Å; W540-K547 HydrophobicContact CH2-CB 3.83Å; W540-K547 HydrophobicContact CH2-CD 3.92Å; W540-K547 HydrophobicContact CH2-CG 4.17Å; W540-K547 HydrophobicContact CZ2-CB 4.1Å; W540-K547 HydrophobicContact CZ2-CD 3.65Å; W540-K547 HydrophobicContact CZ2-CG 3.95Å; W540-K547 HydrophobicContact CZ3-CB 3.69Å; W540-K547 HydrophobicContact CZ3-CG 4.44Å
541	D	97.4	Very high	97.1	Very high	10 Å²	10	44.3 Å²	44.3	5%	0.053	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	83.9	158.4	-171.8	-35.1	0	0	0	106.5	Q543 K544 S545 R546 I548	D541-Q543 VanDerWaalsContact C-N 3.27Å; D541-Q543 PolarHBondContact O-N 2.83Å; D541-K544 HydrophobicContact CB-CB 4.41Å; D541-K544 CarbonylContact O-C 3.6Å; D541-K544 PolarHBondContact O-N 3.26Å; D541-K544 VanDerWaalsContact O-N 3.12Å; D541-K544 WeakPolarHBondContact OD1-CB 3.42Å; D541-K544 VanDerWaalsContact OD1-CG 3.25Å; D541-K544 WeakPolarHBondContact OD1-CG 3.42Å; D541-K544 PolarHBondContact OD1-N 3.47Å; D541-K544 IonicContact OD1-NZ 2.82Å; D541-K544 PolarHBondContact OD1-NZ 3.4Å; D541-K544 VanDerWaalsContact OD2-CD 3.32Å; D541-K544 WeakPolarHBondContact OD2-CD 3.26Å; D541-K544 WeakPolarHBondContact OD2-CE 3.35Å; D541-K544 IonicContact OD2-NZ 2.67Å; D541-K544 PolarHBondContact OD2-NZ 3.11Å; D541-S545 PolarHBondContact O-N 3.18Å; D541-R546 HydrophobicContact CB-CB 4.39Å; D541-R546 PolarHBondContact N-O 2.95Å; D541-R546 PolarHBondContact O-N 2.9Å; D541-R546 IonicContact OD2-NH2 3.93Å; D541-R546 PolarHBondContact OD2-NH2 2.86Å; D541-I548 HydrophobicContact CB-CD1 4.01Å; D541-I548 HydrophobicContact CB-CG1 4.04Å
542	W	97.3	Very high	97.1	Very high	16 Å²	16	48.3 Å²	48.3	6%	0.061	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-35.9	-167.8	67.3	-94.9	0	0	0	111.8	H466 T471 I491 K501 F517 G523 V524 L526 W540 K544 S545	H466-W542 AromaticContact NE2-CZ2 3.74Å; T471-W542 HydrophobicContact CG2-CH2 3.92Å; T471-W542 HydrophobicContact CG2-CZ2 4.23Å; T471-W542 HydrophobicContact CG2-CZ3 4.42Å; I491-W542 HydrophobicContact CB-CE3 4.29Å; I491-W542 HydrophobicContact CD1-CB 4.32Å; I491-W542 HydrophobicContact CG1-CB 4.46Å; I491-W542 HydrophobicContact CG1-CE3 4.45Å; I491-W542 HydrophobicContact CG2-CD2 4.35Å; I491-W542 HydrophobicContact CG2-CE3 3.76Å; I491-W542 HydrophobicContact CG2-CH2 4.45Å; I491-W542 HydrophobicContact CG2-CZ3 3.83Å; K501-W542 HydrophobicContact CG-CE3 4.08Å; K501-W542 HydrophobicContact CG-CZ3 4.42Å; K501-W542 WeakPolarHBondContact CG-O 3.05Å; F517-W542 AromaticContact CD1-NE1 3.97Å; F517-W542 AromaticContact CE1-CD1 3.73Å; F517-W542 HydrophobicContact CE1-CD2 4.34Å; F517-W542 HydrophobicContact CE1-CG 4.17Å; F517-W542 AromaticContact CE1-NE1 3.6Å; G523-W542 PolarHBondContact O-NE1 3.37Å; V524-W542 VanDerWaalsContact O-CD1 3.28Å; L526-W542 HydrophobicContact CB-CB 4.16Å; L526-W542 HydrophobicContact CB-CG 4.43Å; L526-W542 HydrophobicContact CD2-CB 4.35Å; W540-W542 VanDerWaalsContact C-N 3.3Å; W540-W542 PolarHBondContact O-N 2.89Å; W542-K544 VanDerWaalsContact C-N 3.3Å; W542-K544 PolarHBondContact O-N 3.4Å; W542-S545 PolarHBondContact O-N 2.67Å
543	Q	96.7	Very high	97.2	Very high	89 Å²	89	48.1 Å²	48.1	42%	0.416	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-37.7	176.6	-64	-175.5	-10.7	0	0	112.1	K501 D541	K501-Q543 VanDerWaalsContact CE-O 3.26Å; K501-Q543 WeakPolarHBondContact CE-O 3.3Å; K501-Q543 PolarHBondContact NZ-O 3.09Å; D541-Q543 VanDerWaalsContact C-N 3.27Å; D541-Q543 PolarHBondContact O-N 2.83Å
544	K	96.5	Very high	97.3	Very high	129 Å²	129	44.8 Å²	44.8	56%	0.561	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	4.5	175.7	-60.5	178.8	-153.9	69.1	0	113.3	D541 W542 R546	D541-K544 HydrophobicContact CB-CB 4.41Å; D541-K544 CarbonylContact O-C 3.6Å; D541-K544 PolarHBondContact O-N 3.26Å; D541-K544 VanDerWaalsContact O-N 3.12Å; D541-K544 WeakPolarHBondContact OD1-CB 3.42Å; D541-K544 VanDerWaalsContact OD1-CG 3.25Å; D541-K544 WeakPolarHBondContact OD1-CG 3.42Å; D541-K544 PolarHBondContact OD1-N 3.47Å; D541-K544 IonicContact OD1-NZ 2.82Å; D541-K544 PolarHBondContact OD1-NZ 3.4Å; D541-K544 VanDerWaalsContact OD2-CD 3.32Å; D541-K544 WeakPolarHBondContact OD2-CD 3.26Å; D541-K544 WeakPolarHBondContact OD2-CE 3.35Å; D541-K544 IonicContact OD2-NZ 2.67Å; D541-K544 PolarHBondContact OD2-NZ 3.11Å; W542-K544 VanDerWaalsContact C-N 3.3Å; W542-K544 PolarHBondContact O-N 3.4Å; K544-R546 HydrophobicContact CB-CB 4.31Å; K544-R546 PolarHBondContact O-N 3.01Å
545	S	95.1	Very high	97.4	Very high	54 Å²	54	47.3 Å²	47.3	38%	0.378	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	36.2	-173.6	-66.8	0	0	0	0	113.5	K501 D541 W542	K501-S545 WeakPolarHBondContact CD-OG 3.38Å; D541-S545 PolarHBondContact O-N 3.18Å; W542-S545 PolarHBondContact O-N 2.67Å
546	R	96	Very high	97.4	Very high	135 Å²	135	49.8 Å²	49.8	51%	0.509	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	119.4	-169.6	-178.4	-172.6	65.5	143	0	111.9	D541 K544 I548	D541-R546 HydrophobicContact CB-CB 4.39Å; D541-R546 PolarHBondContact N-O 2.95Å; D541-R546 PolarHBondContact O-N 2.9Å; D541-R546 IonicContact OD2-NH2 3.93Å; D541-R546 PolarHBondContact OD2-NH2 2.86Å; K544-R546 HydrophobicContact CB-CB 4.31Å; K544-R546 PolarHBondContact O-N 3.01Å; R546-I548 PolarHBondContact O-N 2.89Å
547	K	97.7	Very high	97.3	Very high	52 Å²	52	50.8 Å²	50.8	23%	0.226	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	126.1	165.8	-162.4	165.5	66.3	-173.1	0	109.4	E507 W540 E550	E507-K547 WeakPolarHBondContact OE2-CE 3.25Å; E507-K547 IonicContact OE2-NZ 3.2Å; E507-K547 PolarHBondContact OE2-NZ 3.06Å; W540-K547 HydrophobicContact CD2-CB 4.07Å; W540-K547 HydrophobicContact CD2-CG 4.25Å; W540-K547 HydrophobicContact CE3-CB 3.82Å; W540-K547 HydrophobicContact CE3-CG 4.48Å; W540-K547 VanDerWaalsContact CE3-N 3.31Å; W540-K547 HydrophobicContact CH2-CB 3.83Å; W540-K547 HydrophobicContact CH2-CD 3.92Å; W540-K547 HydrophobicContact CH2-CG 4.17Å; W540-K547 HydrophobicContact CZ2-CB 4.1Å; W540-K547 HydrophobicContact CZ2-CD 3.65Å; W540-K547 HydrophobicContact CZ2-CG 3.95Å; W540-K547 HydrophobicContact CZ3-CB 3.69Å; W540-K547 HydrophobicContact CZ3-CG 4.44Å; K547-E550 HydrophobicContact CD-CB 4.25Å; K547-E550 WeakPolarHBondContact CE-OE1 3.33Å; K547-E550 VanDerWaalsContact CE-OE2 3.26Å; K547-E550 WeakPolarHBondContact CE-OE2 3.19Å; K547-E550 IonicContact NZ-OE1 3.6Å; K547-E550 PolarHBondContact NZ-OE1 2.88Å; K547-E550 IonicContact NZ-OE2 3.52Å; K547-E550 PolarHBondContact NZ-OE2 2.63Å
548	I	97.5	Very high	97.2	Very high	46 Å²	46	51.1 Å²	51.1	24%	0.236	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-44.4	179	-46.1	179.5	0	0	0	109.9	I539 D541 R546 F584 G586	I539-I548 HydrophobicContact CG2-CD1 4.16Å; I539-I548 PolarHBondContact O-N 2.82Å; D541-I548 HydrophobicContact CB-CD1 4.01Å; D541-I548 HydrophobicContact CB-CG1 4.04Å; R546-I548 PolarHBondContact O-N 2.89Å; I548-F584 HydrophobicContact CG2-CE2 4.44Å; I548-F584 HydrophobicContact CG2-CZ 3.98Å; I548-G586 WeakPolarHBondContact CG2-O 3.25Å
549	T	97.9	Very high	97.1	Very high	21 Å²	21	51.6 Å²	51.6	13%	0.129	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	157.8	179.7	-158.1	0	0	0	0	110.7	S538 I539 F584 C587 L589	S538-T549 WeakPolarHBondContact CA-O 3.39Å; I539-T549 HydrophobicContact CB-CG2 4.24Å; I539-T549 HydrophobicContact CD1-CG2 4.38Å; I539-T549 HydrophobicContact CG1-CG2 4.46Å; I539-T549 PolarHBondContact N-O 2.83Å; I539-T549 PolarHBondContact O-N 2.73Å; T549-F584 HydrophobicContact CG2-CD2 4Å; T549-F584 HydrophobicContact CG2-CE2 3.67Å; T549-C587 WeakPolarHBondContact CB-O 3.3Å; T549-C587 PolarHBondContact OG1-O 2.82Å; T549-L589 HydrophobicContact CG2-CD1 4Å; T549-L589 HydrophobicContact CG2-CG 3.97Å
550	E	97	Very high	97.1	Very high	96 Å²	96	52.4 Å²	52.4	45%	0.449	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	151.5	173.1	72.9	-165.1	142.4	0	0	111.2	V536 I537 K547	V536-E550 HydrophobicContact CG1-CB 3.93Å; V536-E550 HydrophobicContact CG1-CG 4.48Å; I537-E550 CarbonylContact O-C 3.49Å; I537-E550 VanDerWaalsContact O-CA 3.3Å; I537-E550 WeakPolarHBondContact O-CA 3.33Å; K547-E550 HydrophobicContact CD-CB 4.25Å; K547-E550 WeakPolarHBondContact CE-OE1 3.33Å; K547-E550 VanDerWaalsContact CE-OE2 3.26Å; K547-E550 WeakPolarHBondContact CE-OE2 3.19Å; K547-E550 IonicContact NZ-OE1 3.6Å; K547-E550 PolarHBondContact NZ-OE1 2.88Å; K547-E550 IonicContact NZ-OE2 3.52Å; K547-E550 PolarHBondContact NZ-OE2 2.63Å
551	T	97.8	Very high	97.1	Very high	55 Å²	55	52.7 Å²	52.7	34%	0.337	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	167.1	176	-171.3	0	0	0	0	111.7	I537 C553 W582 L589	I537-T551 HydrophobicContact CG2-CG2 3.71Å; I537-T551 WeakPolarHBondContact CG2-O 3.23Å; I537-T551 PolarHBondContact N-O 2.86Å; I537-T551 PolarHBondContact O-N 3.17Å; T551-C553 PolarHBondContact O-N 2.95Å; T551-W582 HydrophobicContact CG2-CH2 4.04Å; T551-W582 HydrophobicContact CG2-CZ3 3.58Å; T551-L589 HydrophobicContact CG2-CB 3.76Å; T551-L589 HydrophobicContact CG2-CD1 4.16Å
552	K	97.4	Very high	97.1	Very high	115 Å²	115	54.5 Å²	54.5	50%	0.5	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	115.5	178.1	-63.6	-174.1	170.6	-155.5	0	110.9	D534 K591	D534-K552 HydrophobicContact CB-CB 4.21Å; D534-K552 HydrophobicContact CB-CD 3.67Å; D534-K552 HydrophobicContact CB-CG 3.77Å; D534-K552 VanDerWaalsContact CG-CE 3.42Å; D534-K552 IonicContact OD1-NZ 2.8Å; D534-K552 PolarHBondContact OD1-NZ 3.26Å; D534-K552 VanDerWaalsContact OD2-CE 3.23Å; D534-K552 WeakPolarHBondContact OD2-CE 3.47Å; D534-K552 IonicContact OD2-NZ 3.68Å; D534-K552 PolarHBondContact OD2-NZ 2.82Å; K552-K591 PolarHBondContact O-NZ 3.07Å
553	C	97.5	Very high	97.1	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.007	27%	0.271	C	S	.	.			trans	-72.1	-59.5	177.2	-163.5	0	0	0	0	110.2	D534 H535 I537 T551 I558 W582 K591	D534-C553 PolarHBondContact O-N 3.39Å; H535-C553 HydrophobicContact CB-CB 4.35Å; H535-C553 WeakPolarHBondContact O-CA 3.33Å; H535-C553 WeakPolarHBondContact O-CB 3.49Å; H535-C553 PolarHBondContact O-N 3.48Å; I537-C553 HydrophobicContact CB-CB 3.96Å; I537-C553 HydrophobicContact CG2-CB 3.83Å; T551-C553 PolarHBondContact O-N 2.95Å; C553-I558 HydrophobicContact CB-CD1 4.4Å; C553-I558 HydrophobicContact CB-CG1 4.39Å; C553-I558 VanDerWaalsContact SG-CD1 3.59Å; C553-W582 HydrophobicContact CB-CZ2 4.31Å; C553-K591 PolarHBondContact O-NZ 2.96Å
554	S	97.1	Very high	97.2	Very high	18 Å²	18	50 Å²	50	13%	0.126	25%	0.254	C	S	.	.			trans	-164.7	144.7	-167.6	179.8	0	0	0	0	111	D534 H535 E556	D534-S554 CarbonylContact C-O 3.53Å; D534-S554 PolarHBondContact O-N 2.84Å; H535-S554 WeakPolarHBondContact CB-O 3.48Å; H535-S554 PolarHBondContact CD2-O 3.15Å; H535-S554 PolarHBondContact N-O 2.89Å; S554-E556 WeakPolarHBondContact CB-O 3.33Å; S554-E556 PolarHBondContact O-N 3.37Å; S554-E556 WeakPolarHBondContact OG-CB 3.46Å; S554-E556 PolarHBondContact OG-N 3.05Å; S554-E556 PolarHBondContact OG-O 2.95Å
555	T	96.6	Very high	97.2	Very high	105 Å²	105	45.9 Å²	45.9	64%	0.644	24%	0.24	S	C	*	.	S	Bend	trans	-80.9	7.9	167.4	57.6	0	0	0	0	112.8
556	E	97.2	Very high	97.2	Very high	68 Å²	68	47 Å²	47	32%	0.318	24%	0.241	S	C	.	.	S	Bend	trans	-134.6	141.7	-171.5	-75.2	-80.6	-143.1	0	0	110.3	S554 I558 K576	S554-E556 WeakPolarHBondContact CB-O 3.33Å; S554-E556 PolarHBondContact O-N 3.37Å; S554-E556 WeakPolarHBondContact OG-CB 3.46Å; S554-E556 PolarHBondContact OG-N 3.05Å; S554-E556 PolarHBondContact OG-O 2.95Å; E556-I558 PolarHBondContact O-N 3.25Å; E556-K576 HydrophobicContact CB-CB 4.29Å; E556-K576 VanDerWaalsContact CD-CE 3.47Å; E556-K576 WeakPolarHBondContact OE1-CE 3.46Å; E556-K576 IonicContact OE1-NZ 2.62Å; E556-K576 PolarHBondContact OE1-NZ 3.07Å; E556-K576 VanDerWaalsContact OE2-CD 3.29Å; E556-K576 WeakPolarHBondContact OE2-CD 3.3Å; E556-K576 VanDerWaalsContact OE2-CE 3.27Å; E556-K576 WeakPolarHBondContact OE2-CE 3.38Å; E556-K576 IonicContact OE2-NZ 2.69Å; E556-K576 PolarHBondContact OE2-NZ 3.43Å
557	P	96	Very high	97.2	Very high	54 Å²	54	42.9 Å²	42.9	35%	0.351	23%	0.229	S	C	.	.			trans	-49.6	123.8	-169.1	-33.6	36.8	0	0	0	116.2	H535 G575 K576	H535-P557 WeakPolarHBondContact NE2-CA 3.17Å; P557-G575 CarbonylContact O-C 3.56Å; P557-G575 WeakPolarHBondContact O-CA 3.49Å; P557-K576 PolarHBondContact O-N 3.22Å
558	I	97.9	Very high	97	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	136	171.6	-59.4	-56.3	0	0	0	110	V529 H535 C553 E556 G574 H578	V529-I558 HydrophobicContact CG1-CB 4.19Å; V529-I558 HydrophobicContact CG1-CG1 4.07Å; V529-I558 HydrophobicContact CG1-CG2 4.18Å; H535-I558 HydrophobicContact CB-CG1 4.04Å; C553-I558 HydrophobicContact CB-CD1 4.4Å; C553-I558 HydrophobicContact CB-CG1 4.39Å; C553-I558 VanDerWaalsContact SG-CD1 3.59Å; E556-I558 PolarHBondContact O-N 3.25Å; I558-G574 WeakPolarHBondContact CG2-O 3.38Å; I558-H578 WeakPolarHBondContact CD1-CD2 3.48Å
559	T	96.7	Very high	96.9	Very high	12 Å²	12	42 Å²	42	7%	0.074	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-36.6	-179.7	49.6	0	0	0	0	112.7	R421 G574 G575 F608 I609	R421-T559 WeakPolarHBondContact CD-O 3.27Å; R421-T559 PolarHBondContact NH1-O 2.99Å; R421-T559 VanDerWaalsContact NH1-O 3.15Å; T559-G574 PolarHBondContact N-O 2.82Å; T559-G574 PolarHBondContact OG1-O 2.88Å; T559-G574 VanDerWaalsContact OG1-O 3.12Å; T559-G575 WeakPolarHBondContact OG1-CA 3.46Å; T559-G575 PolarHBondContact OG1-N 3.4Å; T559-F608 HydrophobicContact CG2-CD1 4.41Å; T559-I609 WeakPolarHBondContact CB-O 3.32Å; T559-I609 WeakPolarHBondContact CG2-O 3.44Å; T559-I609 PolarHBondContact OG1-O 3.18Å
560	A	97.5	Very high	96.9	Very high	16 Å²	16	42.8 Å²	42.8	13%	0.132	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	152.9	-179.2	0	0	0	0	0	111.8	C514 S573 G574 L612	C514-A560 VanDerWaalsContact SG-CA 3.6Å; A560-S573 WeakPolarHBondContact O-CA 3.33Å; A560-G574 PolarHBondContact N-O 2.97Å; A560-G574 PolarHBondContact O-N 3.11Å; A560-L612 HydrophobicContact CB-CD1 3.83Å; A560-L612 HydrophobicContact CB-CG 3.92Å
561	V	98	Very high	96.9	Very high	8 Å²	8	38.3 Å²	38.3	5%	0.048	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	140.2	165.2	80.5	0	0	0	0	109	C514 V529 I537 L571 V572	C514-V561 HydrophobicContact CB-CB 4.15Å; C514-V561 HydrophobicContact CB-CG1 3.75Å; V529-V561 HydrophobicContact CG2-CB 4.01Å; V529-V561 HydrophobicContact CG2-CG1 4.12Å; V529-V561 HydrophobicContact CG2-CG2 4.17Å; I537-V561 HydrophobicContact CD1-CG2 3.96Å; V561-L571 HydrophobicContact CG2-CD1 4.11Å; V561-V572 CarbonylContact C-O 3.59Å; V561-V572 WeakPolarHBondContact CA-O 3.4Å; V561-V572 WeakPolarHBondContact CG2-O 3.45Å
562	E	97.7	Very high	96.9	Very high	49 Å²	49	36 Å²	36	23%	0.229	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	131.2	-180	-160.5	177	-176	0	0	112.1	S516 L571 V572 L612 F614	S516-E562 WeakPolarHBondContact OG-CA 3.42Å; E562-L571 CarbonylContact O-C 3.55Å; E562-L571 VanDerWaalsContact O-CA 3.29Å; E562-L571 WeakPolarHBondContact O-CA 3.31Å; E562-L571 WeakPolarHBondContact O-CB 3.25Å; E562-V572 PolarHBondContact N-O 2.8Å; E562-V572 PolarHBondContact O-N 3.39Å; E562-L612 HydrophobicContact CB-CD1 4.44Å; E562-F614 HydrophobicContact CB-CE2 4.03Å; E562-F614 HydrophobicContact CG-CD2 4.23Å; E562-F614 HydrophobicContact CG-CE2 3.85Å
563	F	98.1	Very high	97	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	141.1	166.9	-87.1	-79.6	0	0	0	110.6	S516 S518 K525 C527 I539 L571	S516-F563 WeakPolarHBondContact O-CD2 3.26Å; S516-F563 WeakPolarHBondContact O-CE2 3.39Å; S516-F563 PolarHBondContact OG-N 2.87Å; S518-F563 VanDerWaalsContact N-CD2 3.27Å; K525-F563 HydrophobicContact CB-CE2 4.41Å; K525-F563 HydrophobicContact CB-CZ 4Å; C527-F563 HydrophobicContact CB-CD2 4.09Å; C527-F563 HydrophobicContact CB-CE2 3.47Å; C527-F563 VanDerWaalsContact CB-CE2 3.47Å; C527-F563 HydrophobicContact CB-CZ 4.11Å; I539-F563 HydrophobicContact CD1-CZ 4.38Å; F563-L571 HydrophobicContact CD1-CB 3.92Å; F563-L571 HydrophobicContact CD1-CD2 4.18Å; F563-L571 HydrophobicContact CE1-CB 4.35Å; F563-L571 HydrophobicContact CE1-CD2 3.77Å; F563-L571 HydrophobicContact CG-CB 4.23Å; F563-L571 HydrophobicContact CZ-CD2 3.97Å
564	H	97.7	Very high	97	Very high	11 Å²	11	30.4 Å²	30.4	5%	0.051	18%	0.178	C	C	.	.			trans	-65.5	133.3	176.9	176.7	-87	0	0	0	110.8	L566 D567 T570 F614 G618 R634	H564-L566 PolarHBondContact ND1-N 3.48Å; H564-L566 PolarHBondContact O-N 3.05Å; H564-D567 WeakPolarHBondContact ND1-CB 3.33Å; H564-D567 PolarHBondContact ND1-N 2.86Å; H564-D567 VanDerWaalsContact ND1-N 3.12Å; H564-D567 PolarHBondContact O-N 2.94Å; H564-D567 VanDerWaalsContact O-O 3.05Å; H564-T570 WeakPolarHBondContact CB-O 3.22Å; H564-T570 WeakPolarHBondContact CB-OG1 3.24Å; H564-T570 PolarHBondContact N-O 3.13Å; H564-F614 HydrophobicContact CB-CE1 4.34Å; H564-F614 HydrophobicContact CB-CZ 4.18Å; H564-F614 AromaticContact CD2-CD1 3.92Å; H564-F614 AromaticContact CD2-CE1 3.56Å; H564-G618 PolarHBondContact NE2-O 3.12Å; H564-R634 PolarHBondContact CE1-NE 2.68Å; H564-R634 VanDerWaalsContact CE1-NE 3.33Å
565	P	95.7	Very high	97.1	Very high	41 Å²	41	29.6 Å²	29.6	27%	0.266	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-21.8	-168.5	25.1	-35.4	0	0	0	114.4	K519 F614	K519-P565 WeakPolarHBondContact CB-O 3.18Å; P565-F614 VanDerWaalsContact CD-CG 3.4Å; P565-F614 HydrophobicContact CG-CB 3.63Å; P565-F614 HydrophobicContact CG-CD1 4.45Å; P565-F614 HydrophobicContact CG-CD2 4.33Å; P565-F614 HydrophobicContact CG-CG 3.92Å
566	L	95.9	Very high	97.1	Very high	77 Å²	77	27.9 Å²	27.9	40%	0.403	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118	19.8	-176.8	-44.8	171	0	0	0	112.4	T520 H564 R634	T520-L566 VanDerWaalsContact CG2-C 3.41Å; H564-L566 PolarHBondContact ND1-N 3.48Å; H564-L566 PolarHBondContact O-N 3.05Å; L566-R634 PolarHBondContact O-NH2 3.29Å
567	D	95.3	Very high	97	Very high	49 Å²	49	27.8 Å²	27.8	26%	0.262	17%	0.173	S	C	.	.			trans	-166	117.8	176.8	175.2	22.1	0	0	0	111.8	H564 A569 T570	H564-D567 WeakPolarHBondContact ND1-CB 3.33Å; H564-D567 PolarHBondContact ND1-N 2.86Å; H564-D567 VanDerWaalsContact ND1-N 3.12Å; H564-D567 PolarHBondContact O-N 2.94Å; H564-D567 VanDerWaalsContact O-O 3.05Å; D567-A569 WeakPolarHBondContact OD1-CB 3.34Å; D567-A569 PolarHBondContact OD1-N 3.32Å; D567-T570 VanDerWaalsContact CG-OG1 3.31Å; D567-T570 WeakPolarHBondContact OD2-CB 3.43Å; D567-T570 VanDerWaalsContact OD2-CG2 3.26Å; D567-T570 WeakPolarHBondContact OD2-CG2 3.46Å; D567-T570 PolarHBondContact OD2-N 3.36Å; D567-T570 PolarHBondContact OD2-OG1 3.03Å
568	D	94.4	Very high	97.1	Very high	45 Å²	45	25.9 Å²	25.9	24%	0.241	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-2.2	178	59.8	-74.9	0	0	0	114.4	T520 D521 K525	T520-D568 VanDerWaalsContact OG1-CB 3.27Å; T520-D568 WeakPolarHBondContact OG1-CB 3.33Å; T520-D568 PolarHBondContact OG1-N 3.04Å; T520-D568 PolarHBondContact OG1-OD1 3.38Å; D521-D568 HydrophobicContact CB-CB 4.33Å; K525-D568 IonicContact NZ-OD2 3.39Å; K525-D568 PolarHBondContact NZ-OD2 3.43Å
569	A	96.3	Very high	97.1	Very high	35 Å²	35	25.7 Å²	25.7	29%	0.289	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-7.2	168.5	0	0	0	0	0	113	D567 T583 F584	D567-A569 WeakPolarHBondContact OD1-CB 3.34Å; D567-A569 PolarHBondContact OD1-N 3.32Å; A569-T583 CarbonylContact O-C 3.59Å; A569-T583 WeakPolarHBondContact O-CA 3.3Å; A569-F584 PolarHBondContact O-N 2.62Å
570	T	97.2	Very high	97.2	Very high	38 Å²	38	25.1 Å²	25.1	23%	0.233	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.2	175.9	51.8	0	0	0	0	114.1	H564 D567 W582	H564-T570 WeakPolarHBondContact CB-O 3.22Å; H564-T570 WeakPolarHBondContact CB-OG1 3.24Å; H564-T570 PolarHBondContact N-O 3.13Å; D567-T570 VanDerWaalsContact CG-OG1 3.31Å; D567-T570 WeakPolarHBondContact OD2-CB 3.43Å; D567-T570 VanDerWaalsContact OD2-CG2 3.26Å; D567-T570 WeakPolarHBondContact OD2-CG2 3.46Å; D567-T570 PolarHBondContact OD2-N 3.36Å; D567-T570 PolarHBondContact OD2-OG1 3.03Å; T570-W582 WeakPolarHBondContact CA-O 3.44Å
571	L	97.3	Very high	97.2	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	158.6	174.9	65.6	85.2	0	0	0	110.5	C527 I537 I539 V561 E562 F563 W582 L589	C527-L571 HydrophobicContact CB-CD2 4.47Å; I537-L571 HydrophobicContact CD1-CD1 3.67Å; I539-L571 HydrophobicContact CD1-CD2 3.87Å; I539-L571 HydrophobicContact CG1-CD2 4.41Å; V561-L571 HydrophobicContact CG2-CD1 4.11Å; E562-L571 CarbonylContact O-C 3.55Å; E562-L571 VanDerWaalsContact O-CA 3.29Å; E562-L571 WeakPolarHBondContact O-CA 3.31Å; E562-L571 WeakPolarHBondContact O-CB 3.25Å; F563-L571 HydrophobicContact CD1-CB 3.92Å; F563-L571 HydrophobicContact CD1-CD2 4.18Å; F563-L571 HydrophobicContact CE1-CB 4.35Å; F563-L571 HydrophobicContact CE1-CD2 3.77Å; F563-L571 HydrophobicContact CG-CB 4.23Å; F563-L571 HydrophobicContact CZ-CD2 3.97Å; L571-W582 HydrophobicContact CD1-CB 3.65Å; L571-W582 HydrophobicContact CD1-CG 3.66Å; L571-W582 HydrophobicContact CG-CB 3.91Å; L571-W582 HydrophobicContact CG-CG 4.46Å; L571-W582 PolarHBondContact N-O 2.54Å; L571-W582 WeakPolarHBondContact O-CB 3.21Å; L571-W582 PolarHBondContact O-N 3.2Å; L571-L589 HydrophobicContact CD2-CD2 4.3Å
572	V	98.4	Very high	97.2	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.03	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	143.3	-177.8	179.1	0	0	0	0	109.5	V561 E562 L579 A580 F581 L612 F614 L620	V561-V572 CarbonylContact C-O 3.59Å; V561-V572 WeakPolarHBondContact CA-O 3.4Å; V561-V572 WeakPolarHBondContact CG2-O 3.45Å; E562-V572 PolarHBondContact N-O 2.8Å; E562-V572 PolarHBondContact O-N 3.39Å; V572-L579 HydrophobicContact CG1-CD1 3.74Å; V572-A580 WeakPolarHBondContact CA-O 3.43Å; V572-F581 HydrophobicContact CG2-CD1 3.89Å; V572-F581 HydrophobicContact CG2-CE1 4.16Å; V572-L612 HydrophobicContact CB-CD1 4.4Å; V572-L612 HydrophobicContact CG1-CD1 4Å; V572-L612 HydrophobicContact CG1-CD2 4.3Å; V572-F614 HydrophobicContact CB-CZ 4.45Å; V572-F614 HydrophobicContact CG2-CE1 4.47Å; V572-F614 HydrophobicContact CG2-CZ 3.92Å; V572-L620 HydrophobicContact CB-CD1 4.45Å; V572-L620 HydrophobicContact CG1-CD1 4.24Å; V572-L620 HydrophobicContact CG1-CD2 3.75Å; V572-L620 HydrophobicContact CG2-CD1 4.38Å; V572-L620 HydrophobicContact CG2-CD2 4.16Å
573	S	98.5	Very high	97.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130.7	169.7	63.6	0	0	0	0	111.1	A560 H578 L579 A580 W582	A560-S573 WeakPolarHBondContact O-CA 3.33Å; S573-H578 PolarHBondContact OG-NE2 3.33Å; S573-L579 WeakPolarHBondContact O-CA 3.46Å; S573-A580 PolarHBondContact N-O 3.06Å; S573-A580 PolarHBondContact O-N 2.99Å; S573-W582 PolarHBondContact OG-NE1 2.9Å
574	G	98.1	Very high	97.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	157.5	173.3	0	0	0	0	0	112.1	I558 T559 A560 H578	I558-G574 WeakPolarHBondContact CG2-O 3.38Å; T559-G574 PolarHBondContact N-O 2.82Å; T559-G574 PolarHBondContact OG1-O 2.88Å; T559-G574 VanDerWaalsContact OG1-O 3.12Å; A560-G574 PolarHBondContact N-O 2.97Å; A560-G574 PolarHBondContact O-N 3.11Å; G574-H578 CarbonylContact C-O 3.58Å; G574-H578 WeakPolarHBondContact CA-O 3.47Å
575	G	97.9	Very high	97.1	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	-177.9	-167.8	178.4	0	0	0	0	0	114.2	P557 T559 G577 H578 F608 I609	P557-G575 CarbonylContact O-C 3.56Å; P557-G575 WeakPolarHBondContact O-CA 3.49Å; T559-G575 WeakPolarHBondContact OG1-CA 3.46Å; T559-G575 PolarHBondContact OG1-N 3.4Å; G575-G577 PolarHBondContact O-N 2.89Å; G575-H578 PolarHBondContact N-O 2.84Å; G575-H578 PolarHBondContact O-N 2.86Å; G575-F608 WeakPolarHBondContact O-CA 3.43Å; G575-I609 PolarHBondContact O-N 3.38Å
576	K	97.5	Very high	97	Very high	69 Å²	69	30.6 Å²	30.6	30%	0.3	19%	0.19	S	C	.	.	B	Isolated β-bridge	trans	-64.5	119	170.7	-176.3	179.5	153.9	-151.7	0	109.7	E556 P557 H578 K607 F608	E556-K576 HydrophobicContact CB-CB 4.29Å; E556-K576 VanDerWaalsContact CD-CE 3.47Å; E556-K576 WeakPolarHBondContact OE1-CE 3.46Å; E556-K576 IonicContact OE1-NZ 2.62Å; E556-K576 PolarHBondContact OE1-NZ 3.07Å; E556-K576 VanDerWaalsContact OE2-CD 3.29Å; E556-K576 WeakPolarHBondContact OE2-CD 3.3Å; E556-K576 VanDerWaalsContact OE2-CE 3.27Å; E556-K576 WeakPolarHBondContact OE2-CE 3.38Å; E556-K576 IonicContact OE2-NZ 2.69Å; E556-K576 PolarHBondContact OE2-NZ 3.43Å; P557-K576 PolarHBondContact O-N 3.22Å; K576-H578 WeakPolarHBondContact O-CB 3.15Å; K576-H578 PolarHBondContact O-N 2.94Å; K576-K607 CarbonylContact C-O 3.58Å; K576-K607 WeakPolarHBondContact CA-O 3.44Å; K576-F608 HydrophobicContact CB-CD1 3.6Å; K576-F608 HydrophobicContact CB-CE1 3.48Å; K576-F608 VanDerWaalsContact CB-CE1 3.48Å; K576-F608 HydrophobicContact CB-CG 4.3Å; K576-F608 HydrophobicContact CB-CZ 4.07Å; K576-F608 HydrophobicContact CD-CE1 4.11Å; K576-F608 HydrophobicContact CD-CZ 3.91Å; K576-F608 HydrophobicContact CG-CD1 4.17Å; K576-F608 HydrophobicContact CG-CE1 3.82Å; K576-F608 HydrophobicContact CG-CE2 4.27Å; K576-F608 HydrophobicContact CG-CZ 3.86Å
577	G	96.1	Very high	96.9	Very high	67 Å²	67	31.2 Å²	31.2	69%	0.691	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	11.2	-175.5	0	0	0	0	0	115.1	G575 K607	G575-G577 PolarHBondContact O-N 2.89Å; G577-K607 PolarHBondContact N-O 2.75Å
578	H	97.5	Very high	96.9	Very high	13 Å²	13	32.2 Å²	32.2	6%	0.06	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	123.8	-163.1	-177.4	76.3	0	0	0	111.7	I558 S573 G574 G575 K576	I558-H578 WeakPolarHBondContact CD1-CD2 3.48Å; S573-H578 PolarHBondContact OG-NE2 3.33Å; G574-H578 CarbonylContact C-O 3.58Å; G574-H578 WeakPolarHBondContact CA-O 3.47Å; G575-H578 PolarHBondContact N-O 2.84Å; G575-H578 PolarHBondContact O-N 2.86Å; K576-H578 WeakPolarHBondContact O-CB 3.15Å; K576-H578 PolarHBondContact O-N 2.94Å
579	L	98.1	Very high	97	Very high	3 Å²	3	31 Å²	31	2%	0.016	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	114.9	159.8	-177	63.3	0	0	0	107.2	V572 S573 F581 M593 G594 F596 I609 L612 L620 T622 W632	V572-L579 HydrophobicContact CG1-CD1 3.74Å; S573-L579 WeakPolarHBondContact O-CA 3.46Å; L579-F581 HydrophobicContact CD2-CE2 4.05Å; L579-F581 HydrophobicContact CD2-CZ 4.37Å; L579-F581 HydrophobicContact CG-CE2 4.09Å; L579-M593 WeakPolarHBondContact O-CA 3.21Å; L579-M593 WeakPolarHBondContact O-CE 3.33Å; L579-G594 PolarHBondContact O-N 2.91Å; L579-F596 HydrophobicContact CB-CZ 4.33Å; L579-F596 HydrophobicContact CD2-CZ 4.26Å; L579-I609 HydrophobicContact CB-CG1 4.1Å; L579-I609 HydrophobicContact CD1-CG1 4.4Å; L579-L612 HydrophobicContact CD1-CD2 4.25Å; L579-L620 HydrophobicContact CD1-CD2 4.45Å; L579-T622 HydrophobicContact CD1-CG2 4.32Å; L579-T622 HydrophobicContact CD2-CG2 4.41Å; L579-W632 HydrophobicContact CD2-CD2 4.04Å; L579-W632 VanDerWaalsContact CD2-CE2 3.43Å; L579-W632 HydrophobicContact CD2-CE3 4.37Å; L579-W632 HydrophobicContact CD2-CH2 3.7Å; L579-W632 HydrophobicContact CD2-CZ2 3.26Å; L579-W632 HydrophobicContact CD2-CZ3 4.22Å
580	A	98.1	Very high	97.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.5	-179.1	0	0	0	0	0	110.7	V572 S573 W582 M593	V572-A580 WeakPolarHBondContact CA-O 3.43Å; S573-A580 PolarHBondContact N-O 3.06Å; S573-A580 PolarHBondContact O-N 2.99Å; A580-W582 HydrophobicContact CB-CZ2 4.32Å; A580-W582 VanDerWaalsContact O-CD1 3.26Å; A580-M593 HydrophobicContact CB-CE 4.29Å; A580-M593 HydrophobicContact CB-SD 3.94Å
581	F	98.1	Very high	97	Very high	29 Å²	29	35.2 Å²	35.2	13%	0.127	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	121.3	168.9	-63.1	-99.4	0	0	0	107.2	V572 L579 K592 L620 W632 N637	V572-F581 HydrophobicContact CG2-CD1 3.89Å; V572-F581 HydrophobicContact CG2-CE1 4.16Å; L579-F581 HydrophobicContact CD2-CE2 4.05Å; L579-F581 HydrophobicContact CD2-CZ 4.37Å; L579-F581 HydrophobicContact CG-CE2 4.09Å; F581-K592 PolarHBondContact N-O 3.33Å; F581-K592 PolarHBondContact O-N 3.41Å; F581-L620 HydrophobicContact CE1-CD2 3.75Å; F581-L620 HydrophobicContact CZ-CD2 3.73Å; F581-W632 HydrophobicContact CE1-CB 4.28Å; F581-W632 HydrophobicContact CE2-CD2 4.38Å; F581-W632 AromaticContact CE2-CE3 4Å; F581-W632 HydrophobicContact CE2-CE3 4Å; F581-W632 HydrophobicContact CE2-CZ3 4.45Å; F581-W632 HydrophobicContact CZ-CB 3.85Å; F581-W632 AromaticContact CZ-CD2 3.89Å; F581-W632 HydrophobicContact CZ-CD2 3.89Å; F581-W632 AromaticContact CZ-CE3 3.85Å; F581-W632 HydrophobicContact CZ-CE3 3.85Å; F581-W632 AromaticContact CZ-CG 3.91Å; F581-W632 HydrophobicContact CZ-CG 3.91Å; F581-N637 HydrophobicContact CB-CB 4.32Å; F581-N637 HydrophobicContact CD2-CB 3.54Å; F581-N637 HydrophobicContact CE2-CB 3.98Å; F581-N637 HydrophobicContact CG-CB 3.93Å
582	W	98.1	Very high	97	Very high	3 Å²	3	41 Å²	41	1%	0.011	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	142.8	-175.5	-59.1	81.2	0	0	0	110.7	I537 T551 C553 T570 L571 S573 A580 L589 S590 K591	I537-W582 HydrophobicContact CG2-CH2 3.73Å; I537-W582 HydrophobicContact CG2-CZ2 4.02Å; I537-W582 HydrophobicContact CG2-CZ3 4.13Å; T551-W582 HydrophobicContact CG2-CH2 4.04Å; T551-W582 HydrophobicContact CG2-CZ3 3.58Å; C553-W582 HydrophobicContact CB-CZ2 4.31Å; T570-W582 WeakPolarHBondContact CA-O 3.44Å; L571-W582 HydrophobicContact CD1-CB 3.65Å; L571-W582 HydrophobicContact CD1-CG 3.66Å; L571-W582 HydrophobicContact CG-CB 3.91Å; L571-W582 HydrophobicContact CG-CG 4.46Å; L571-W582 PolarHBondContact N-O 2.54Å; L571-W582 WeakPolarHBondContact O-CB 3.21Å; L571-W582 PolarHBondContact O-N 3.2Å; S573-W582 PolarHBondContact OG-NE1 2.9Å; A580-W582 HydrophobicContact CB-CZ2 4.32Å; A580-W582 VanDerWaalsContact O-CD1 3.26Å; W582-L589 HydrophobicContact CB-CD2 3.95Å; W582-L589 HydrophobicContact CE3-CB 3.94Å; W582-L589 HydrophobicContact CE3-CD2 4.08Å; W582-L589 HydrophobicContact CE3-CG 4.45Å; W582-L589 HydrophobicContact CZ3-CB 4.19Å; W582-S590 CarbonylContact C-O 3.56Å; W582-S590 VanDerWaalsContact CA-O 3.25Å; W582-S590 WeakPolarHBondContact CA-O 3.33Å; W582-K591 HydrophobicContact CD2-CB 3.84Å; W582-K591 HydrophobicContact CE3-CB 3.59Å; W582-K591 HydrophobicContact CE3-CD 4.48Å; W582-K591 HydrophobicContact CH2-CB 4.05Å; W582-K591 HydrophobicContact CH2-CD 3.41Å; W582-K591 VanDerWaalsContact CH2-CD 3.41Å; W582-K591 HydrophobicContact CH2-CG 4.35Å; W582-K591 HydrophobicContact CZ2-CB 4.24Å; W582-K591 HydrophobicContact CZ2-CD 3.83Å; W582-K591 HydrophobicContact CZ3-CB 3.71Å; W582-K591 HydrophobicContact CZ3-CD 3.77Å; W582-K591 HydrophobicContact CZ3-CG 4.27Å
583	T	98	Very high	97	Very high	55 Å²	55	44.9 Å²	44.9	34%	0.337	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	123	169.5	-53.1	0	0	0	0	108.9	A569 S590	A569-T583 CarbonylContact O-C 3.59Å; A569-T583 WeakPolarHBondContact O-CA 3.3Å; T583-S590 PolarHBondContact N-O 2.69Å; T583-S590 PolarHBondContact O-N 3.16Å; T583-S590 PolarHBondContact O-OG 3.42Å; T583-S590 VanDerWaalsContact O-OG 3.04Å
584	F	97.4	Very high	96.9	Very high	14 Å²	14	45.3 Å²	45.3	6%	0.061	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	117.8	178.5	174.2	-118.5	0	0	0	109.6	K525 I539 I548 T549 A569 G586 T588 L589	K525-F584 HydrophobicContact CD-CD1 4.27Å; K525-F584 HydrophobicContact CD-CE1 3.89Å; I539-F584 HydrophobicContact CD1-CB 4.07Å; I539-F584 HydrophobicContact CD1-CD1 4.15Å; I539-F584 HydrophobicContact CD1-CD2 3.64Å; I539-F584 HydrophobicContact CD1-CE2 4.09Å; I539-F584 HydrophobicContact CD1-CG 3.68Å; I539-F584 HydrophobicContact CG2-CZ 4.44Å; I548-F584 HydrophobicContact CG2-CE2 4.44Å; I548-F584 HydrophobicContact CG2-CZ 3.98Å; T549-F584 HydrophobicContact CG2-CD2 4Å; T549-F584 HydrophobicContact CG2-CE2 3.67Å; A569-F584 PolarHBondContact O-N 2.62Å; F584-G586 VanDerWaalsContact C-N 3.33Å; F584-G586 WeakPolarHBondContact CZ-O 3.13Å; F584-T588 WeakPolarHBondContact CA-O 3.17Å; F584-T588 WeakPolarHBondContact CD2-O 3.33Å; F584-L589 HydrophobicContact CB-CD2 4.03Å; F584-L589 HydrophobicContact CD2-CG 4.37Å
585	D	95.7	Very high	96.8	Very high	103 Å²	103	48.5 Å²	48.5	55%	0.551	28%	0.282	S	S	*	.			trans	-88.8	2.7	-176.6	64.3	27.5	0	0	0	114.1	C587 T588	D585-C587 WeakPolarHBondContact OD1-CA 3.39Å; D585-C587 PolarHBondContact OD1-N 3.44Å; D585-T588 PolarHBondContact N-O 3.2Å; D585-T588 PolarHBondContact OD1-N 2.87Å; D585-T588 PolarHBondContact OD2-OG1 3.29Å
586	G	92.9	Very high	96.6	Very high	35 Å²	35	49.5 Å²	49.5	36%	0.361	29%	0.286	S	S	.	.	S	Bend	trans	101	-17.5	-171.3	0	0	0	0	0	114.3	I548 F584	I548-G586 WeakPolarHBondContact CG2-O 3.25Å; F584-G586 VanDerWaalsContact C-N 3.33Å; F584-G586 WeakPolarHBondContact CZ-O 3.13Å
587	C	93.4	Very high	96.3	Very high	90 Å²	90	51.2 Å²	51.2	61%	0.608	30%	0.295	S	S	*	.	S	Bend	trans	-133.9	-31.2	-178	-71	0	0	0	0	113.6	T549 D585	T549-C587 WeakPolarHBondContact CB-O 3.3Å; T549-C587 PolarHBondContact OG1-O 2.82Å; D585-C587 WeakPolarHBondContact OD1-CA 3.39Å; D585-C587 PolarHBondContact OD1-N 3.44Å
588	T	96.2	Very high	95.7	Very high	70 Å²	70	51 Å²	51	43%	0.429	28%	0.278	S	S	.	.			trans	-134	158.5	-174.8	89.7	0	0	0	0	112.3	F584 D585	F584-T588 WeakPolarHBondContact CA-O 3.17Å; F584-T588 WeakPolarHBondContact CD2-O 3.33Å; D585-T588 PolarHBondContact N-O 3.2Å; D585-T588 PolarHBondContact OD1-N 2.87Å; D585-T588 PolarHBondContact OD2-OG1 3.29Å
589	L	97.4	Very high	94.9	Very high	19 Å²	19	53.7 Å²	53.7	10%	0.099	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	113.1	175.4	-91.9	170.8	0	0	0	110.2	I537 I539 T549 T551 L571 W582 F584	I537-L589 HydrophobicContact CG1-CD1 4.28Å; I537-L589 HydrophobicContact CG2-CD1 4.27Å; I539-L589 HydrophobicContact CD1-CD1 3.95Å; I539-L589 HydrophobicContact CD1-CD2 3.98Å; I539-L589 HydrophobicContact CD1-CG 4.04Å; I539-L589 HydrophobicContact CG1-CD1 4.15Å; T549-L589 HydrophobicContact CG2-CD1 4Å; T549-L589 HydrophobicContact CG2-CG 3.97Å; T551-L589 HydrophobicContact CG2-CB 3.76Å; T551-L589 HydrophobicContact CG2-CD1 4.16Å; L571-L589 HydrophobicContact CD2-CD2 4.3Å; W582-L589 HydrophobicContact CB-CD2 3.95Å; W582-L589 HydrophobicContact CE3-CB 3.94Å; W582-L589 HydrophobicContact CE3-CD2 4.08Å; W582-L589 HydrophobicContact CE3-CG 4.45Å; W582-L589 HydrophobicContact CZ3-CB 4.19Å; F584-L589 HydrophobicContact CB-CD2 4.03Å; F584-L589 HydrophobicContact CD2-CG 4.37Å
590	S	96.8	Very high	93.9	Very high	59 Å²	59	63.4 Å²	63.4	41%	0.413	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	141.4	173.3	65.3	0	0	0	0	110.5	W582 T583	W582-S590 CarbonylContact C-O 3.56Å; W582-S590 VanDerWaalsContact CA-O 3.25Å; W582-S590 WeakPolarHBondContact CA-O 3.33Å; T583-S590 PolarHBondContact N-O 2.69Å; T583-S590 PolarHBondContact O-N 3.16Å; T583-S590 PolarHBondContact O-OG 3.42Å; T583-S590 VanDerWaalsContact O-OG 3.04Å
591	K	96	Very high	93.3	Very high	104 Å²	104	70.5 Å²	70.5	45%	0.452	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.1	-176.3	75	-169.9	-174.3	-175.3	0	114.3	K552 C553 W582	K552-K591 PolarHBondContact O-NZ 3.07Å; C553-K591 PolarHBondContact O-NZ 2.96Å; W582-K591 HydrophobicContact CD2-CB 3.84Å; W582-K591 HydrophobicContact CE3-CB 3.59Å; W582-K591 HydrophobicContact CE3-CD 4.48Å; W582-K591 HydrophobicContact CH2-CB 4.05Å; W582-K591 HydrophobicContact CH2-CD 3.41Å; W582-K591 VanDerWaalsContact CH2-CD 3.41Å; W582-K591 HydrophobicContact CH2-CG 4.35Å; W582-K591 HydrophobicContact CZ2-CB 4.24Å; W582-K591 HydrophobicContact CZ2-CD 3.83Å; W582-K591 HydrophobicContact CZ3-CB 3.71Å; W582-K591 HydrophobicContact CZ3-CD 3.77Å; W582-K591 HydrophobicContact CZ3-CG 4.27Å
592	K	97.5	Very high	92.9	Very high	122 Å²	122	74.4 Å²	74.4	53%	0.53	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.6	169.8	-64.7	173.6	-176.6	168.8	0	108.3	F581 N637	F581-K592 PolarHBondContact N-O 3.33Å; F581-K592 PolarHBondContact O-N 3.41Å; K592-N637 HydrophobicContact CB-CB 4.4Å
593	M	97.1	Very high	92.5	Very high	88 Å²	88	75.3 Å²	75.3	43%	0.433	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	150.9	177.6	-58.7	-49.4	-67	0	0	111.1	L579 A580 I595 N637	L579-M593 WeakPolarHBondContact O-CA 3.21Å; L579-M593 WeakPolarHBondContact O-CE 3.33Å; A580-M593 HydrophobicContact CB-CE 4.29Å; A580-M593 HydrophobicContact CB-SD 3.94Å; M593-I595 PolarHBondContact O-N 2.81Å; M593-N637 PolarHBondContact O-ND2 3.07Å
594	G	96.5	Very high	92.2	Very high	8 Å²	8	81.3 Å²	81.3	8%	0.082	44%	0.442	C	S	.	.			trans	-60.7	128.2	171.3	0	0	0	0	0	112	L579 F596	L579-G594 PolarHBondContact O-N 2.91Å; G594-F596 VanDerWaalsContact O-CD2 3.32Å; G594-F596 WeakPolarHBondContact O-CD2 3.33Å
595	I	95.9	Very high	91.9	Very high	68 Å²	68	87.8 Å²	87.8	35%	0.349	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-93.8	103.7	174.7	-61.9	169.8	0	0	0	107.4	M593 E597 W632 N637 T638 V639	M593-I595 PolarHBondContact O-N 2.81Å; I595-E597 HydrophobicContact CG2-CB 3.97Å; I595-E597 HydrophobicContact CG2-CG 3.89Å; I595-E597 PolarHBondContact O-N 2.76Å; I595-W632 WeakPolarHBondContact O-CZ3 2.94Å; I595-N637 WeakPolarHBondContact CD1-ND2 3.45Å; I595-N637 PolarHBondContact N-O 3.44Å; I595-T638 HydrophobicContact CB-CG2 4.06Å; I595-T638 HydrophobicContact CD1-CG2 4.08Å; I595-T638 HydrophobicContact CG2-CG2 4.34Å; I595-V639 PolarHBondContact O-N 3.01Å
596	F	94.3	Very high	91.9	Very high	20 Å²	20	83.5 Å²	83.5	9%	0.088	45%	0.448	C	S	.	.			trans	-79.2	62.4	179.7	-68.3	-97.3	0	0	0	110.6	L579 G594 I603 K605 P606 I609 I630 W632	L579-F596 HydrophobicContact CB-CZ 4.33Å; L579-F596 HydrophobicContact CD2-CZ 4.26Å; G594-F596 VanDerWaalsContact O-CD2 3.32Å; G594-F596 WeakPolarHBondContact O-CD2 3.33Å; F596-I603 HydrophobicContact CB-CB 4.31Å; F596-I603 PolarHBondContact O-N 3.09Å; F596-K605 HydrophobicContact CB-CG 3.98Å; F596-K605 HydrophobicContact CD2-CD 4.19Å; F596-K605 HydrophobicContact CD2-CG 3.9Å; F596-K605 HydrophobicContact CG-CG 3.89Å; F596-P606 VanDerWaalsContact CE1-CD 3.4Å; F596-P606 HydrophobicContact CE1-CG 3.92Å; F596-P606 HydrophobicContact CZ-CG 4.42Å; F596-I609 HydrophobicContact CZ-CD1 4.5Å; F596-I630 HydrophobicContact CD1-CD1 4.31Å; F596-I630 HydrophobicContact CE1-CD1 3.99Å; F596-W632 AromaticContact CD1-CH2 3.77Å; F596-W632 HydrophobicContact CD1-CH2 3.77Å; F596-W632 HydrophobicContact CD1-CZ2 4.09Å; F596-W632 HydrophobicContact CD2-CH2 4.04Å; F596-W632 AromaticContact CE1-CH2 3.62Å; F596-W632 HydrophobicContact CE1-CH2 3.62Å; F596-W632 AromaticContact CE1-CZ2 3.61Å; F596-W632 HydrophobicContact CE1-CZ2 3.61Å; F596-W632 AromaticContact CE2-CH2 3.91Å; F596-W632 HydrophobicContact CE2-CH2 3.91Å; F596-W632 AromaticContact CG-CH2 3.98Å; F596-W632 HydrophobicContact CG-CH2 3.98Å; F596-W632 AromaticContact CZ-CH2 3.69Å; F596-W632 HydrophobicContact CZ-CH2 3.69Å; F596-W632 AromaticContact CZ-CZ2 3.85Å; F596-W632 HydrophobicContact CZ-CZ2 3.85Å
597	E	91.2	Very high	92	Very high	106 Å²	106	89.1 Å²	89.1	50%	0.495	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	131.3	177.3	-60.5	175.1	-169.2	0	0	108.1	I595 Q601	I595-E597 HydrophobicContact CG2-CB 3.97Å; I595-E597 HydrophobicContact CG2-CG 3.89Å; I595-E597 PolarHBondContact O-N 2.76Å; E597-Q601 CarbonylContact C-O 3.55Å; E597-Q601 WeakPolarHBondContact CA-O 3.39Å
598	N	83.3	Confident	92.2	Very high	63 Å²	63	87.6 Å²	87.6	34%	0.337	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	104.2	170.8	-171.6	-14.2	0	0	0	108.9	K600 Q601 I603 V639 N640	N598-K600 PolarHBondContact O-N 3Å; N598-Q601 PolarHBondContact N-O 3.42Å; N598-Q601 PolarHBondContact O-N 3.3Å; N598-I603 HydrophobicContact CB-CD1 3.94Å; N598-V639 HydrophobicContact CB-CG1 4.37Å; N598-N640 PolarHBondContact ND2-O 3.21Å
599	G	80.2	Confident	92.3	Very high	69 Å²	69	84.4 Å²	84.4	71%	0.711	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	-84	-176.9	0	0	0	0	0	113.6
600	K	78.7	Confident	92.3	Very high	206 Å²	206	84.4 Å²	84.4	90%	0.896	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.2	3.9	175.1	-67.8	-172	178.5	-178.1	0	113.4	N598	N598-K600 PolarHBondContact O-N 3Å
601	Q	85.1	Confident	92.3	Very high	149 Å²	149	82.2 Å²	82.2	70%	0.696	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	120.3	179.7	-66.2	-176.2	-4.8	0	0	109.4	E597 N598	E597-Q601 CarbonylContact C-O 3.55Å; E597-Q601 WeakPolarHBondContact CA-O 3.39Å; N598-Q601 PolarHBondContact N-O 3.42Å; N598-Q601 PolarHBondContact O-N 3.3Å
602	P	88.7	Confident	92.4	Very high	111 Å²	111	78.1 Å²	78.1	72%	0.721	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	142.8	173.3	30.4	-34	0	0	0	110.2
603	I	90.7	Very high	92.3	Very high	23 Å²	23	73.4 Å²	73.4	12%	0.118	37%	0.374	C	S	.	.			trans	-108.4	138.8	175.3	-67.7	169	0	0	0	108.1	F596 N598 K605 V639 I642	F596-I603 HydrophobicContact CB-CB 4.31Å; F596-I603 PolarHBondContact O-N 3.09Å; N598-I603 HydrophobicContact CB-CD1 3.94Å; I603-K605 PolarHBondContact O-N 3.41Å; I603-V639 HydrophobicContact CD1-CB 4.06Å; I603-V639 HydrophobicContact CD1-CG1 3.75Å; I603-V639 HydrophobicContact CD1-CG2 4.07Å; I603-I642 HydrophobicContact CD1-CB 4.47Å; I603-I642 HydrophobicContact CD1-CD1 4.31Å; I603-I642 HydrophobicContact CD1-CG2 4.07Å; I603-I642 HydrophobicContact CG2-CD1 3.85Å
604	E	91	Very high	92.3	Very high	180 Å²	180	70.1 Å²	70.1	84%	0.841	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-62.1	129.3	174.6	-173	174.2	174.7	0	0	110.3	P606	E604-P606 WeakPolarHBondContact O-CD 3.38Å
605	K	92.7	Very high	92.1	Very high	150 Å²	150	70.7 Å²	70.7	65%	0.652	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-76.2	121	-176.5	-65.2	-173.1	179.5	-178.5	0	109.8	F596 I603	F596-K605 HydrophobicContact CB-CG 3.98Å; F596-K605 HydrophobicContact CD2-CD 4.19Å; F596-K605 HydrophobicContact CD2-CG 3.9Å; F596-K605 HydrophobicContact CG-CG 3.89Å; I603-K605 PolarHBondContact O-N 3.41Å
606	P	94	Very high	91.8	Very high	14 Å²	14	74.8 Å²	74.8	9%	0.091	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-68.1	148.1	-180	28.2	-34.3	0	0	0	111.7	F596 E604 F608 I609 D624	F596-P606 VanDerWaalsContact CE1-CD 3.4Å; F596-P606 HydrophobicContact CE1-CG 3.92Å; F596-P606 HydrophobicContact CZ-CG 4.42Å; E604-P606 WeakPolarHBondContact O-CD 3.38Å; P606-F608 VanDerWaalsContact C-N 3.29Å; P606-F608 PolarHBondContact O-N 3.14Å; P606-I609 HydrophobicContact CG-CD1 3.75Å; P606-D624 HydrophobicContact CB-CB 3.62Å; P606-D624 WeakPolarHBondContact CB-OD2 3.45Å; P606-D624 HydrophobicContact CG-CB 3.77Å
607	K	96.1	Very high	91.7	Very high	153 Å²	153	78.2 Å²	78.2	67%	0.665	40%	0.398	S	S	*	.	S	Bend	trans	-63.1	-34.3	-179.9	-168.9	179.4	-177.1	175.4	0	112.5	K576 G577 S625	K576-K607 CarbonylContact C-O 3.58Å; K576-K607 WeakPolarHBondContact CA-O 3.44Å; G577-K607 PolarHBondContact N-O 2.75Å; K607-S625 PolarHBondContact N-OG 2.76Å; K607-S625 VanDerWaalsContact N-OG 3.12Å
608	F	97.3	Very high	91.8	Very high	57 Å²	57	73.2 Å²	73.2	25%	0.25	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-138.6	143.2	169.7	-61.8	-110.8	0	0	0	110.1	T559 G575 K576 P606 L610 D624 S625	T559-F608 HydrophobicContact CG2-CD1 4.41Å; G575-F608 WeakPolarHBondContact O-CA 3.43Å; K576-F608 HydrophobicContact CB-CD1 3.6Å; K576-F608 HydrophobicContact CB-CE1 3.48Å; K576-F608 VanDerWaalsContact CB-CE1 3.48Å; K576-F608 HydrophobicContact CB-CG 4.3Å; K576-F608 HydrophobicContact CB-CZ 4.07Å; K576-F608 HydrophobicContact CD-CE1 4.11Å; K576-F608 HydrophobicContact CD-CZ 3.91Å; K576-F608 HydrophobicContact CG-CD1 4.17Å; K576-F608 HydrophobicContact CG-CE1 3.82Å; K576-F608 HydrophobicContact CG-CE2 4.27Å; K576-F608 HydrophobicContact CG-CZ 3.86Å; P606-F608 VanDerWaalsContact C-N 3.29Å; P606-F608 PolarHBondContact O-N 3.14Å; F608-L610 HydrophobicContact CB-CD2 3.68Å; F608-L610 HydrophobicContact CB-CG 4.11Å; F608-L610 HydrophobicContact CD1-CD2 4.49Å; F608-L610 HydrophobicContact CG-CD2 4.22Å; F608-D624 WeakPolarHBondContact O-CA 3.45Å; F608-S625 PolarHBondContact N-OG 3.15Å; F608-S625 PolarHBondContact O-N 2.88Å; F608-S625 PolarHBondContact O-OG 3.41Å
609	I	98.2	Very high	92.3	Very high	4 Å²	4	71.2 Å²	71.2	2%	0.021	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	131.2	147.2	-58.1	-56.2	0	0	0	106.9	T559 G575 L579 F596 P606 L612 T622 D624	T559-I609 WeakPolarHBondContact CB-O 3.32Å; T559-I609 WeakPolarHBondContact CG2-O 3.44Å; T559-I609 PolarHBondContact OG1-O 3.18Å; G575-I609 PolarHBondContact O-N 3.38Å; L579-I609 HydrophobicContact CB-CG1 4.1Å; L579-I609 HydrophobicContact CD1-CG1 4.4Å; F596-I609 HydrophobicContact CZ-CD1 4.5Å; P606-I609 HydrophobicContact CG-CD1 3.75Å; I609-L612 HydrophobicContact CG2-CD2 3.73Å; I609-T622 HydrophobicContact CG2-CG2 4.33Å; I609-D624 HydrophobicContact CD1-CB 4.07Å
610	L	97.3	Very high	93.2	Very high	19 Å²	19	68.1 Å²	68.1	10%	0.099	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-34.3	-170.9	-69.5	178.5	0	0	0	112.9	F608 G623 I651 F652	F608-L610 HydrophobicContact CB-CD2 3.68Å; F608-L610 HydrophobicContact CB-CG 4.11Å; F608-L610 HydrophobicContact CD1-CD2 4.49Å; F608-L610 HydrophobicContact CG-CD2 4.22Å; L610-G623 PolarHBondContact N-O 2.94Å; L610-I651 WeakPolarHBondContact CB-O 3.26Å; L610-F652 HydrophobicContact CB-CD1 4.33Å; L610-F652 HydrophobicContact CD1-CD1 4.01Å; L610-F652 HydrophobicContact CD1-CE1 3.8Å; L610-F652 HydrophobicContact CD1-CZ 4.14Å; L610-F652 HydrophobicContact CD2-CD1 4.34Å; L610-F652 HydrophobicContact CD2-CE1 3.88Å; L610-F652 HydrophobicContact CG-CD1 4.47Å; L610-F652 HydrophobicContact CG-CE1 4.34Å
611	C	97.5	Very high	94.1	Very high	12 Å²	12	58.4 Å²	58.4	8%	0.081	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	155.1	176.4	53.8	0	0	0	0	111.7	T622 G623 I651 F652	C611-T622 WeakPolarHBondContact O-CA 3.01Å; C611-G623 PolarHBondContact N-O 3.5Å; C611-G623 PolarHBondContact O-N 3.48Å; C611-I651 PolarHBondContact SG-O 2.91Å; C611-F652 WeakPolarHBondContact CB-O 3.22Å
612	L	97.4	Very high	94.7	Very high	18 Å²	18	51.3 Å²	51.3	9%	0.094	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	150.2	177.1	-52.5	176.2	0	0	0	108.3	A560 E562 V572 L579 I609 L620 T622	A560-L612 HydrophobicContact CB-CD1 3.83Å; A560-L612 HydrophobicContact CB-CG 3.92Å; E562-L612 HydrophobicContact CB-CD1 4.44Å; V572-L612 HydrophobicContact CB-CD1 4.4Å; V572-L612 HydrophobicContact CG1-CD1 4Å; V572-L612 HydrophobicContact CG1-CD2 4.3Å; L579-L612 HydrophobicContact CD1-CD2 4.25Å; I609-L612 HydrophobicContact CG2-CD2 3.73Å; L612-L620 HydrophobicContact CB-CD1 4.24Å; L612-L620 HydrophobicContact CD2-CD1 4.33Å; L612-T622 HydrophobicContact CD2-CG2 3.64Å
613	T	96.2	Very high	95.1	Very high	23 Å²	23	46 Å²	46	14%	0.141	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	166.5	160.5	-167.4	0	0	0	0	109.2	L621 L654 L656	T613-L621 HydrophobicContact CG2-CB 3.92Å; T613-L621 HydrophobicContact CG2-CD1 4.3Å; T613-L621 HydrophobicContact CG2-CG 4.5Å; T613-L621 PolarHBondContact N-O 3.25Å; T613-L621 PolarHBondContact O-N 3.46Å; T613-L654 HydrophobicContact CG2-CB 3.67Å; T613-L654 HydrophobicContact CG2-CD1 4.15Å; T613-L656 HydrophobicContact CG2-CD1 3.96Å; T613-L656 HydrophobicContact CG2-CG 4.31Å
614	F	95.3	Very high	95.5	Very high	20 Å²	20	45 Å²	45	9%	0.088	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129	178.9	-71.6	-86.4	0	0	0	111.5	E562 H564 P565 V572 D619 L620 L656	E562-F614 HydrophobicContact CB-CE2 4.03Å; E562-F614 HydrophobicContact CG-CD2 4.23Å; E562-F614 HydrophobicContact CG-CE2 3.85Å; H564-F614 HydrophobicContact CB-CE1 4.34Å; H564-F614 HydrophobicContact CB-CZ 4.18Å; H564-F614 AromaticContact CD2-CD1 3.92Å; H564-F614 AromaticContact CD2-CE1 3.56Å; P565-F614 VanDerWaalsContact CD-CG 3.4Å; P565-F614 HydrophobicContact CG-CB 3.63Å; P565-F614 HydrophobicContact CG-CD1 4.45Å; P565-F614 HydrophobicContact CG-CD2 4.33Å; P565-F614 HydrophobicContact CG-CG 3.92Å; V572-F614 HydrophobicContact CB-CZ 4.45Å; V572-F614 HydrophobicContact CG2-CE1 4.47Å; V572-F614 HydrophobicContact CG2-CZ 3.92Å; F614-D619 WeakPolarHBondContact CA-O 3.26Å; F614-L620 HydrophobicContact CD1-CB 4.01Å; F614-L620 HydrophobicContact CD1-CD1 4.23Å; F614-L620 HydrophobicContact CE1-CB 3.75Å; F614-L620 HydrophobicContact CE1-CD1 3.81Å; F614-L620 HydrophobicContact CE1-CG 4.39Å; F614-L620 HydrophobicContact CE2-CD1 4.17Å; F614-L620 HydrophobicContact CZ-CD1 3.79Å; F614-L656 VanDerWaalsContact C-CD1 3.49Å; F614-L656 WeakPolarHBondContact O-CD1 3.15Å
615	A	93.2	Very high	95.8	Very high	19 Å²	19	38 Å²	38	16%	0.157	19%	0.188	C	C	.	.			trans	-67.6	161.7	170.7	0	0	0	0	0	111.5	N617 G618 D619 L621	A615-N617 WeakPolarHBondContact CB-OD1 3.41Å; A615-N617 PolarHBondContact O-N 3Å; A615-N617 VanDerWaalsContact O-N 3.1Å; A615-G618 WeakPolarHBondContact O-CA 3.36Å; A615-G618 PolarHBondContact O-N 3.26Å; A615-D619 PolarHBondContact N-O 2.76Å; A615-L621 HydrophobicContact CB-CD1 4.36Å; A615-L621 HydrophobicContact CB-CG 4.49Å
616	E	90	Very high	95.9	Very high	155 Å²	155	33.6 Å²	33.6	72%	0.724	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.3	-175.8	-61.7	-177.7	178	0	0	114	G618	E616-G618 VanDerWaalsContact C-N 3.27Å; E616-G618 PolarHBondContact O-N 3.44Å
617	N	91.1	Very high	96.1	Very high	91 Å²	91	33 Å²	33	49%	0.487	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-10.6	175.3	68.5	-9.4	0	0	0	113.7	A615 D619 R634	A615-N617 WeakPolarHBondContact CB-OD1 3.41Å; A615-N617 PolarHBondContact O-N 3Å; A615-N617 VanDerWaalsContact O-N 3.1Å; N617-D619 VanDerWaalsContact ND2-CG 3.27Å; N617-D619 PolarHBondContact ND2-OD2 3.14Å; N617-D619 VanDerWaalsContact OD1-CB 3.32Å; N617-D619 WeakPolarHBondContact OD1-CB 3.32Å; N617-D619 PolarHBondContact OD1-N 2.71Å; N617-R634 WeakPolarHBondContact O-CD 3.2Å
618	G	93.8	Very high	96.1	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.01	15%	0.149	C	C	.	.	S	Bend	trans	86.8	10.2	-174	0	0	0	0	0	115	H564 A615 E616 R634	H564-G618 PolarHBondContact NE2-O 3.12Å; A615-G618 WeakPolarHBondContact O-CA 3.36Å; A615-G618 PolarHBondContact O-N 3.26Å; E616-G618 VanDerWaalsContact C-N 3.27Å; E616-G618 PolarHBondContact O-N 3.44Å; G618-R634 WeakPolarHBondContact O-CB 3.38Å
619	D	95.2	Very high	96.1	Very high	22 Å²	22	24.4 Å²	24.4	12%	0.118	14%	0.139	C	C	.	.			trans	-68.8	134.6	166.9	-69.5	-18.3	0	0	0	109.5	F614 A615 N617 W632 K633 R634	F614-D619 WeakPolarHBondContact CA-O 3.26Å; A615-D619 PolarHBondContact N-O 2.76Å; N617-D619 VanDerWaalsContact ND2-CG 3.27Å; N617-D619 PolarHBondContact ND2-OD2 3.14Å; N617-D619 VanDerWaalsContact OD1-CB 3.32Å; N617-D619 WeakPolarHBondContact OD1-CB 3.32Å; N617-D619 PolarHBondContact OD1-N 2.71Å; D619-W632 WeakPolarHBondContact CA-O 3.49Å; D619-K633 VanDerWaalsContact OD1-CA 3.31Å; D619-K633 WeakPolarHBondContact OD1-CA 3.29Å; D619-R634 PolarHBondContact OD1-N 2.83Å
620	L	97.7	Very high	96	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	133.5	176	170.4	80.6	0	0	0	109.2	V572 L579 F581 L612 F614 T622 A631 W632	V572-L620 HydrophobicContact CB-CD1 4.45Å; V572-L620 HydrophobicContact CG1-CD1 4.24Å; V572-L620 HydrophobicContact CG1-CD2 3.75Å; V572-L620 HydrophobicContact CG2-CD1 4.38Å; V572-L620 HydrophobicContact CG2-CD2 4.16Å; L579-L620 HydrophobicContact CD1-CD2 4.45Å; F581-L620 HydrophobicContact CE1-CD2 3.75Å; F581-L620 HydrophobicContact CZ-CD2 3.73Å; L612-L620 HydrophobicContact CB-CD1 4.24Å; L612-L620 HydrophobicContact CD2-CD1 4.33Å; F614-L620 HydrophobicContact CD1-CB 4.01Å; F614-L620 HydrophobicContact CD1-CD1 4.23Å; F614-L620 HydrophobicContact CE1-CB 3.75Å; F614-L620 HydrophobicContact CE1-CD1 3.81Å; F614-L620 HydrophobicContact CE1-CG 4.39Å; F614-L620 HydrophobicContact CE2-CD1 4.17Å; F614-L620 HydrophobicContact CZ-CD1 3.79Å; L620-T622 HydrophobicContact CD1-CG2 4.3Å; L620-T622 HydrophobicContact CD2-CG2 3.58Å; L620-T622 HydrophobicContact CG-CG2 3.77Å; L620-A631 CarbonylContact O-C 3.6Å; L620-A631 WeakPolarHBondContact O-CA 3.36Å; L620-W632 HydrophobicContact CB-CB 4.2Å; L620-W632 HydrophobicContact CD2-CB 4.32Å; L620-W632 HydrophobicContact CD2-CG 4.12Å; L620-W632 PolarHBondContact N-O 2.61Å; L620-W632 PolarHBondContact O-N 2.9Å
621	L	97.4	Very high	95.9	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.4	170	-50.2	-177.9	0	0	0	109.3	T613 A615 I630 A631 L654 L656 L662 L679	T613-L621 HydrophobicContact CG2-CB 3.92Å; T613-L621 HydrophobicContact CG2-CD1 4.3Å; T613-L621 HydrophobicContact CG2-CG 4.5Å; T613-L621 PolarHBondContact N-O 3.25Å; T613-L621 PolarHBondContact O-N 3.46Å; A615-L621 HydrophobicContact CB-CD1 4.36Å; A615-L621 HydrophobicContact CB-CG 4.49Å; L621-I630 WeakPolarHBondContact CA-O 3.44Å; L621-A631 HydrophobicContact CD2-CB 3.6Å; L621-L654 HydrophobicContact CB-CD1 4.07Å; L621-L656 HydrophobicContact CD1-CD1 4.34Å; L621-L656 HydrophobicContact CD1-CD2 4.47Å; L621-L662 HydrophobicContact CD1-CD1 4.46Å; L621-L662 HydrophobicContact CD1-CD2 4.04Å; L621-L679 HydrophobicContact CD1-CD1 4.21Å; L621-L679 HydrophobicContact CD1-CD2 3.99Å; L621-L679 HydrophobicContact CD2-CD1 3.69Å
622	T	98.2	Very high	95.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.3	-179.6	64.6	0	0	0	0	111.4	L579 I609 C611 L612 L620 I630 W632	L579-T622 HydrophobicContact CD1-CG2 4.32Å; L579-T622 HydrophobicContact CD2-CG2 4.41Å; I609-T622 HydrophobicContact CG2-CG2 4.33Å; C611-T622 WeakPolarHBondContact O-CA 3.01Å; L612-T622 HydrophobicContact CD2-CG2 3.64Å; L620-T622 HydrophobicContact CD1-CG2 4.3Å; L620-T622 HydrophobicContact CD2-CG2 3.58Å; L620-T622 HydrophobicContact CG-CG2 3.77Å; T622-I630 PolarHBondContact N-O 2.88Å; T622-I630 PolarHBondContact O-N 3.13Å; T622-I630 PolarHBondContact OG1-O 2.88Å; T622-W632 PolarHBondContact OG1-NE1 3.24Å
623	G	97.8	Very high	95.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	131.4	169.6	0	0	0	0	0	110.5	L610 C611	L610-G623 PolarHBondContact N-O 2.94Å; C611-G623 PolarHBondContact N-O 3.5Å; C611-G623 PolarHBondContact O-N 3.48Å
624	D	97.7	Very high	95.6	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	173.4	-171.2	83.8	12.9	0	0	0	114.6	P606 F608 I609 A626 G627 N628 G650 I651	P606-D624 HydrophobicContact CB-CB 3.62Å; P606-D624 WeakPolarHBondContact CB-OD2 3.45Å; P606-D624 HydrophobicContact CG-CB 3.77Å; F608-D624 WeakPolarHBondContact O-CA 3.45Å; I609-D624 HydrophobicContact CD1-CB 4.07Å; D624-A626 VanDerWaalsContact C-N 3.26Å; D624-A626 PolarHBondContact O-N 3.03Å; D624-A626 WeakPolarHBondContact OD1-CA 3.4Å; D624-A626 PolarHBondContact OD1-N 2.93Å; D624-G627 PolarHBondContact OD1-N 2.88Å; D624-N628 PolarHBondContact N-O 3.28Å; D624-N628 PolarHBondContact OD1-N 2.77Å; D624-N628 PolarHBondContact OD1-ND2 2.91Å; D624-N628 WeakPolarHBondContact OD2-CB 3.29Å; D624-N628 PolarHBondContact OD2-ND2 3.47Å; D624-G650 VanDerWaalsContact O-CA 3.26Å; D624-G650 WeakPolarHBondContact O-CA 3.36Å; D624-I651 PolarHBondContact O-N 3.18Å
625	S	96.9	Very high	95.5	Very high	34 Å²	34	35.1 Å²	35.1	24%	0.238	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-15.3	179	58.3	0	0	0	0	115.8	K607 F608 G650	K607-S625 PolarHBondContact N-OG 2.76Å; K607-S625 VanDerWaalsContact N-OG 3.12Å; F608-S625 PolarHBondContact N-OG 3.15Å; F608-S625 PolarHBondContact O-N 2.88Å; F608-S625 PolarHBondContact O-OG 3.41Å; S625-G650 PolarHBondContact O-N 3.04Å
626	A	96.4	Very high	95.5	Very high	58 Å²	58	36.5 Å²	36.5	48%	0.479	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	0.9	-176.3	0	0	0	0	0	112.7	D624	D624-A626 VanDerWaalsContact C-N 3.26Å; D624-A626 PolarHBondContact O-N 3.03Å; D624-A626 WeakPolarHBondContact OD1-CA 3.4Å; D624-A626 PolarHBondContact OD1-N 2.93Å
627	G	96.7	Very high	95.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	89.2	18.1	177.8	0	0	0	0	0	113.9	D624 V646 H647 G649	D624-G627 PolarHBondContact OD1-N 2.88Å; G627-V646 WeakPolarHBondContact O-CB 3.3Å; G627-V646 PolarHBondContact O-N 3.28Å; G627-H647 PolarHBondContact O-N 2.88Å; G627-G649 WeakPolarHBondContact CA-O 3.49Å; G627-G649 PolarHBondContact N-O 2.93Å
628	N	96.8	Very high	96	Very high	22 Å²	22	28.9 Å²	28.9	12%	0.118	18%	0.176	C	C	.	.			trans	-99.4	148.9	178.7	-41.6	-63.3	0	0	0	111.9	D624 I630 I642 C643 Q644 G645 I651	D624-N628 PolarHBondContact N-O 3.28Å; D624-N628 PolarHBondContact OD1-N 2.77Å; D624-N628 PolarHBondContact OD1-ND2 2.91Å; D624-N628 WeakPolarHBondContact OD2-CB 3.29Å; D624-N628 PolarHBondContact OD2-ND2 3.47Å; N628-I630 HydrophobicContact CB-CG1 4.37Å; N628-I642 HydrophobicContact CB-CD1 4.19Å; N628-I642 HydrophobicContact CB-CG1 4.28Å; N628-C643 VanDerWaalsContact CA-O 3.3Å; N628-C643 WeakPolarHBondContact CA-O 3.45Å; N628-Q644 VanDerWaalsContact OD1-CA 3.25Å; N628-Q644 WeakPolarHBondContact OD1-CA 3.27Å; N628-G645 PolarHBondContact OD1-N 3.22Å; N628-I651 WeakPolarHBondContact O-CD1 3.25Å
629	I	96.7	Very high	96	Very high	8 Å²	8	29.2 Å²	29.2	4%	0.041	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123.9	162.4	-54.8	176.5	0	0	0	107.2	I642 C643 V646 I651 L654 L662 F675	I629-I642 WeakPolarHBondContact O-CA 3.09Å; I629-C643 HydrophobicContact CB-CB 4.31Å; I629-C643 PolarHBondContact N-O 3.39Å; I629-C643 PolarHBondContact O-N 2.83Å; I629-V646 HydrophobicContact CD1-CG1 4.34Å; I629-V646 HydrophobicContact CD1-CG2 4.26Å; I629-V646 HydrophobicContact CG1-CG2 4.13Å; I629-I651 HydrophobicContact CD1-CD1 4.39Å; I629-I651 HydrophobicContact CG1-CD1 3.51Å; I629-L654 HydrophobicContact CD1-CD2 3.99Å; I629-L654 HydrophobicContact CG1-CD2 4.18Å; I629-L654 HydrophobicContact CG2-CD1 4.37Å; I629-L662 HydrophobicContact CD1-CD2 4.08Å; I629-L662 HydrophobicContact CG2-CD2 4.42Å; I629-F675 HydrophobicContact CD1-CD2 4.37Å; I629-F675 HydrophobicContact CD1-CE1 4.26Å; I629-F675 HydrophobicContact CD1-CE2 3.61Å; I629-F675 HydrophobicContact CD1-CZ 3.55Å
630	I	96.1	Very high	95.8	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.3	179.9	-44.6	177.7	0	0	0	108.7	F596 L621 T622 N628 W632 V639 I642	F596-I630 HydrophobicContact CD1-CD1 4.31Å; F596-I630 HydrophobicContact CE1-CD1 3.99Å; L621-I630 WeakPolarHBondContact CA-O 3.44Å; T622-I630 PolarHBondContact N-O 2.88Å; T622-I630 PolarHBondContact O-N 3.13Å; T622-I630 PolarHBondContact OG1-O 2.88Å; N628-I630 HydrophobicContact CB-CG1 4.37Å; I630-W632 HydrophobicContact CB-CZ2 4.37Å; I630-W632 HydrophobicContact CD1-CZ2 4.37Å; I630-W632 HydrophobicContact CG2-CD2 4.43Å; I630-W632 HydrophobicContact CG2-CZ2 3.78Å; I630-W632 PolarHBondContact O-NE1 2.99Å; I630-V639 HydrophobicContact CG2-CB 4.23Å; I630-V639 HydrophobicContact CG2-CG1 3.62Å; I630-V639 HydrophobicContact CG2-CG2 3.64Å; I630-I642 HydrophobicContact CD1-CD1 4.32Å; I630-I642 HydrophobicContact CG1-CD1 3.99Å; I630-I642 HydrophobicContact CG1-CG1 4.1Å
631	A	95.4	Very high	95.5	Very high	7 Å²	7	34.9 Å²	34.9	6%	0.058	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	133.5	175.3	0	0	0	0	0	110.6	L620 L621 N640 Q641	L620-A631 CarbonylContact O-C 3.6Å; L620-A631 WeakPolarHBondContact O-CA 3.36Å; L621-A631 HydrophobicContact CD2-CB 3.6Å; A631-N640 WeakPolarHBondContact O-CB 3.48Å; A631-N640 PolarHBondContact O-N 2.87Å; A631-Q641 HydrophobicContact CB-CB 4.21Å; A631-Q641 PolarHBondContact N-O 2.85Å; A631-Q641 PolarHBondContact O-N 3.36Å
632	W	96.2	Very high	95.3	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124.6	-175.3	-51.3	77.6	0	0	0	109.2	L579 F581 I595 F596 D619 L620 T622 I630 R634 V639	L579-W632 HydrophobicContact CD2-CD2 4.04Å; L579-W632 VanDerWaalsContact CD2-CE2 3.43Å; L579-W632 HydrophobicContact CD2-CE3 4.37Å; L579-W632 HydrophobicContact CD2-CH2 3.7Å; L579-W632 HydrophobicContact CD2-CZ2 3.26Å; L579-W632 HydrophobicContact CD2-CZ3 4.22Å; F581-W632 HydrophobicContact CE1-CB 4.28Å; F581-W632 HydrophobicContact CE2-CD2 4.38Å; F581-W632 AromaticContact CE2-CE3 4Å; F581-W632 HydrophobicContact CE2-CE3 4Å; F581-W632 HydrophobicContact CE2-CZ3 4.45Å; F581-W632 HydrophobicContact CZ-CB 3.85Å; F581-W632 AromaticContact CZ-CD2 3.89Å; F581-W632 HydrophobicContact CZ-CD2 3.89Å; F581-W632 AromaticContact CZ-CE3 3.85Å; F581-W632 HydrophobicContact CZ-CE3 3.85Å; F581-W632 AromaticContact CZ-CG 3.91Å; F581-W632 HydrophobicContact CZ-CG 3.91Å; I595-W632 WeakPolarHBondContact O-CZ3 2.94Å; F596-W632 AromaticContact CD1-CH2 3.77Å; F596-W632 HydrophobicContact CD1-CH2 3.77Å; F596-W632 HydrophobicContact CD1-CZ2 4.09Å; F596-W632 HydrophobicContact CD2-CH2 4.04Å; F596-W632 AromaticContact CE1-CH2 3.62Å; F596-W632 HydrophobicContact CE1-CH2 3.62Å; F596-W632 AromaticContact CE1-CZ2 3.61Å; F596-W632 HydrophobicContact CE1-CZ2 3.61Å; F596-W632 AromaticContact CE2-CH2 3.91Å; F596-W632 HydrophobicContact CE2-CH2 3.91Å; F596-W632 AromaticContact CG-CH2 3.98Å; F596-W632 HydrophobicContact CG-CH2 3.98Å; F596-W632 AromaticContact CZ-CH2 3.69Å; F596-W632 HydrophobicContact CZ-CH2 3.69Å; F596-W632 AromaticContact CZ-CZ2 3.85Å; F596-W632 HydrophobicContact CZ-CZ2 3.85Å; D619-W632 WeakPolarHBondContact CA-O 3.49Å; L620-W632 HydrophobicContact CB-CB 4.2Å; L620-W632 HydrophobicContact CD2-CB 4.32Å; L620-W632 HydrophobicContact CD2-CG 4.12Å; L620-W632 PolarHBondContact N-O 2.61Å; L620-W632 PolarHBondContact O-N 2.9Å; T622-W632 PolarHBondContact OG1-NE1 3.24Å; I630-W632 HydrophobicContact CB-CZ2 4.37Å; I630-W632 HydrophobicContact CD1-CZ2 4.37Å; I630-W632 HydrophobicContact CG2-CD2 4.43Å; I630-W632 HydrophobicContact CG2-CZ2 3.78Å; I630-W632 PolarHBondContact O-NE1 2.99Å; W632-R634 PolarHBondContact O-N 3.32Å; W632-V639 HydrophobicContact CD2-CG2 4.34Å; W632-V639 HydrophobicContact CE3-CG2 4Å; W632-V639 HydrophobicContact CH2-CG2 3.54Å; W632-V639 HydrophobicContact CZ2-CG2 3.91Å; W632-V639 HydrophobicContact CZ3-CG2 3.59Å
633	K	94.2	Very high	95.1	Very high	112 Å²	112	37.8 Å²	37.8	49%	0.487	22%	0.223	S	C	.	.			trans	-70.5	133.1	-169.8	-174.2	169.2	-175.4	169.2	0	111.9	D619 G635 T636 N640	D619-K633 VanDerWaalsContact OD1-CA 3.31Å; D619-K633 WeakPolarHBondContact OD1-CA 3.29Å; K633-G635 PolarHBondContact O-N 2.95Å; K633-T636 HydrophobicContact CB-CG2 4.25Å; K633-T636 HydrophobicContact CG-CG2 4.48Å; K633-T636 WeakPolarHBondContact O-CB 3.45Å; K633-T636 PolarHBondContact O-N 2.95Å; K633-T636 PolarHBondContact O-OG1 2.93Å; K633-N640 HydrophobicContact CB-CB 4.03Å
634	R	94.7	Very high	94.8	Very high	115 Å²	115	44.5 Å²	44.5	43%	0.434	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.6	129.1	176.3	-175.1	178	174.5	-178.5	2.5	111.5	H564 L566 N617 G618 D619 W632 T636	H564-R634 PolarHBondContact CE1-NE 2.68Å; H564-R634 VanDerWaalsContact CE1-NE 3.33Å; L566-R634 PolarHBondContact O-NH2 3.29Å; N617-R634 WeakPolarHBondContact O-CD 3.2Å; G618-R634 WeakPolarHBondContact O-CB 3.38Å; D619-R634 PolarHBondContact OD1-N 2.83Å; W632-R634 PolarHBondContact O-N 3.32Å; R634-T636 VanDerWaalsContact C-N 3.26Å; R634-T636 PolarHBondContact O-N 3.03Å
635	G	93	Very high	94.6	Very high	86 Å²	86	47.1 Å²	47.1	89%	0.887	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	-0.3	-179.2	0	0	0	0	0	115.1	K633	K633-G635 PolarHBondContact O-N 2.95Å
636	T	94.2	Very high	94.5	Very high	47 Å²	47	47 Å²	47	29%	0.288	28%	0.279	S	S	.	.			trans	-115.2	168.3	171.7	80.4	0	0	0	0	111	K633 R634 T638	K633-T636 HydrophobicContact CB-CG2 4.25Å; K633-T636 HydrophobicContact CG-CG2 4.48Å; K633-T636 WeakPolarHBondContact O-CB 3.45Å; K633-T636 PolarHBondContact O-N 2.95Å; K633-T636 PolarHBondContact O-OG1 2.93Å; R634-T636 VanDerWaalsContact C-N 3.26Å; R634-T636 PolarHBondContact O-N 3.03Å; T636-T638 WeakPolarHBondContact CB-OG1 3.49Å; T636-T638 PolarHBondContact OG1-N 2.86Å; T636-T638 PolarHBondContact OG1-OG1 3.19Å; T636-T638 VanDerWaalsContact OG1-OG1 3.1Å
637	N	95.2	Very high	94.5	Very high	35 Å²	35	44.6 Å²	44.6	19%	0.187	26%	0.258	C	S	.	.	S	Bend	trans	-115.8	27	169.3	62.1	-55.8	0	0	0	111.4	F581 K592 M593 I595	F581-N637 HydrophobicContact CB-CB 4.32Å; F581-N637 HydrophobicContact CD2-CB 3.54Å; F581-N637 HydrophobicContact CE2-CB 3.98Å; F581-N637 HydrophobicContact CG-CB 3.93Å; K592-N637 HydrophobicContact CB-CB 4.4Å; M593-N637 PolarHBondContact O-ND2 3.07Å; I595-N637 WeakPolarHBondContact CD1-ND2 3.45Å; I595-N637 PolarHBondContact N-O 3.44Å
638	T	94.7	Very high	94.4	Very high	52 Å²	52	50 Å²	50	32%	0.319	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-116.4	149	-175	51.2	0	0	0	0	111.4	I595 T636 N640	I595-T638 HydrophobicContact CB-CG2 4.06Å; I595-T638 HydrophobicContact CD1-CG2 4.08Å; I595-T638 HydrophobicContact CG2-CG2 4.34Å; T636-T638 WeakPolarHBondContact CB-OG1 3.49Å; T636-T638 PolarHBondContact OG1-N 2.86Å; T636-T638 PolarHBondContact OG1-OG1 3.19Å; T636-T638 VanDerWaalsContact OG1-OG1 3.1Å; T638-N640 PolarHBondContact O-N 2.82Å
639	V	94.8	Very high	94.2	Very high	7 Å²	7	49.6 Å²	49.6	4%	0.042	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	133.8	174.5	-180	0	0	0	0	110.5	I595 N598 I603 I630 W632 Q641	I595-V639 PolarHBondContact O-N 3.01Å; N598-V639 HydrophobicContact CB-CG1 4.37Å; I603-V639 HydrophobicContact CD1-CB 4.06Å; I603-V639 HydrophobicContact CD1-CG1 3.75Å; I603-V639 HydrophobicContact CD1-CG2 4.07Å; I630-V639 HydrophobicContact CG2-CB 4.23Å; I630-V639 HydrophobicContact CG2-CG1 3.62Å; I630-V639 HydrophobicContact CG2-CG2 3.64Å; W632-V639 HydrophobicContact CD2-CG2 4.34Å; W632-V639 HydrophobicContact CE3-CG2 4Å; W632-V639 HydrophobicContact CH2-CG2 3.54Å; W632-V639 HydrophobicContact CZ2-CG2 3.91Å; W632-V639 HydrophobicContact CZ3-CG2 3.59Å; V639-Q641 WeakPolarHBondContact CG1-O 3.46Å
640	N	91.7	Very high	94.2	Very high	70 Å²	70	49.6 Å²	49.6	37%	0.374	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-44.6	174.6	-169.2	51.5	0	0	0	110.9	N598 A631 K633 T638	N598-N640 PolarHBondContact ND2-O 3.21Å; A631-N640 WeakPolarHBondContact O-CB 3.48Å; A631-N640 PolarHBondContact O-N 2.87Å; K633-N640 HydrophobicContact CB-CB 4.03Å; T638-N640 PolarHBondContact O-N 2.82Å
641	Q	91.6	Very high	94.3	Very high	75 Å²	75	49.6 Å²	49.6	35%	0.35	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	152.1	-178.2	175.9	175.8	-15.9	0	0	109.5	A631 V639	A631-Q641 HydrophobicContact CB-CB 4.21Å; A631-Q641 PolarHBondContact N-O 2.85Å; A631-Q641 PolarHBondContact O-N 3.36Å; V639-Q641 WeakPolarHBondContact CG1-O 3.46Å
642	I	92.5	Very high	94.4	Very high	37 Å²	37	51.1 Å²	51.1	19%	0.19	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	130.4	173.9	-176.4	168.8	0	0	0	110	I603 N628 I629 I630 Q644	I603-I642 HydrophobicContact CD1-CB 4.47Å; I603-I642 HydrophobicContact CD1-CD1 4.31Å; I603-I642 HydrophobicContact CD1-CG2 4.07Å; I603-I642 HydrophobicContact CG2-CD1 3.85Å; N628-I642 HydrophobicContact CB-CD1 4.19Å; N628-I642 HydrophobicContact CB-CG1 4.28Å; I629-I642 WeakPolarHBondContact O-CA 3.09Å; I630-I642 HydrophobicContact CD1-CD1 4.32Å; I630-I642 HydrophobicContact CG1-CD1 3.99Å; I630-I642 HydrophobicContact CG1-CG1 4.1Å; I642-Q644 HydrophobicContact CD1-CG 3.81Å; I642-Q644 HydrophobicContact CG1-CG 3.8Å; I642-Q644 HydrophobicContact CG2-CG 4.31Å
643	C	93.4	Very high	94.4	Very high	25 Å²	25	51.5 Å²	51.5	17%	0.169	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	105.2	166.3	-61	0	0	0	0	106.8	N628 I629 V646	N628-C643 VanDerWaalsContact CA-O 3.3Å; N628-C643 WeakPolarHBondContact CA-O 3.45Å; I629-C643 HydrophobicContact CB-CB 4.31Å; I629-C643 PolarHBondContact N-O 3.39Å; I629-C643 PolarHBondContact O-N 2.83Å; C643-V646 HydrophobicContact CB-CG2 3.76Å
644	Q	92.7	Very high	94.6	Very high	142 Å²	142	46.8 Å²	46.8	66%	0.664	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	141.2	-176	-67.3	-175.8	-41.1	0	0	111.7	N628 I642 V646	N628-Q644 VanDerWaalsContact OD1-CA 3.25Å; N628-Q644 WeakPolarHBondContact OD1-CA 3.27Å; I642-Q644 HydrophobicContact CD1-CG 3.81Å; I642-Q644 HydrophobicContact CG1-CG 3.8Å; I642-Q644 HydrophobicContact CG2-CG 4.31Å; Q644-V646 VanDerWaalsContact C-N 3.34Å; Q644-V646 PolarHBondContact O-N 3.43Å
645	G	92	Very high	94.6	Very high	56 Å²	56	41.9 Å²	41.9	58%	0.577	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	36.7	171.5	0	0	0	0	0	115	N628 H647	N628-G645 PolarHBondContact OD1-N 3.22Å; G645-H647 PolarHBondContact O-N 3.03Å
646	V	95.7	Very high	94.7	Very high	31 Å²	31	40 Å²	40	19%	0.188	23%	0.227	C	C	.	.	S	Bend	trans	-62.1	-33.1	174.1	-178.2	0	0	0	0	111	G627 I629 C643 Q644 I651 V673 F675	G627-V646 WeakPolarHBondContact O-CB 3.3Å; G627-V646 PolarHBondContact O-N 3.28Å; I629-V646 HydrophobicContact CD1-CG1 4.34Å; I629-V646 HydrophobicContact CD1-CG2 4.26Å; I629-V646 HydrophobicContact CG1-CG2 4.13Å; C643-V646 HydrophobicContact CB-CG2 3.76Å; Q644-V646 VanDerWaalsContact C-N 3.34Å; Q644-V646 PolarHBondContact O-N 3.43Å; V646-I651 HydrophobicContact CB-CD1 4.46Å; V646-V673 HydrophobicContact CG1-CB 4.06Å; V646-V673 HydrophobicContact CG1-CG1 3.98Å; V646-V673 HydrophobicContact CG1-CG2 4.32Å; V646-F675 HydrophobicContact CB-CZ 4.46Å; V646-F675 HydrophobicContact CG1-CE2 3.88Å; V646-F675 HydrophobicContact CG1-CZ 3.6Å; V646-F675 HydrophobicContact CG2-CZ 3.93Å
647	H	96.7	Very high	94.6	Very high	8 Å²	8	38.6 Å²	38.6	4%	0.037	22%	0.219	C	C	.	.	S	Bend	trans	-130.7	155	179.8	-72.9	-77.1	0	0	0	111.4	G627 G645 G649 I651 S664 G666 D669 R671	G627-H647 PolarHBondContact O-N 2.88Å; G645-H647 PolarHBondContact O-N 3.03Å; H647-G649 WeakPolarHBondContact CB-O 3.28Å; H647-G649 PolarHBondContact O-N 3.17Å; H647-G649 VanDerWaalsContact O-N 3.07Å; H647-I651 HydrophobicContact CB-CG1 4.36Å; H647-S664 PolarHBondContact NE2-O 3.32Å; H647-S664 PolarHBondContact NE2-OG 2.72Å; H647-G666 VanDerWaalsContact CE1-CA 3.49Å; H647-G666 WeakPolarHBondContact CE1-CA 3.27Å; H647-G666 PolarHBondContact CE1-N 3.3Å; H647-G666 VanDerWaalsContact CE1-N 3.33Å; H647-G666 VanDerWaalsContact ND1-CA 3.32Å; H647-G666 WeakPolarHBondContact ND1-CA 3.49Å; H647-D669 WeakPolarHBondContact CA-OD2 3.17Å; H647-D669 VanDerWaalsContact CB-OD2 3.29Å; H647-D669 WeakPolarHBondContact CB-OD2 3.49Å; H647-D669 IonicContact CG-OD2 3.69Å; H647-D669 IonicContact ND1-OD1 3.62Å; H647-D669 PolarHBondContact ND1-OD1 2.8Å; H647-D669 IonicContact ND1-OD2 2.75Å; H647-D669 PolarHBondContact ND1-OD2 2.93Å; H647-R671 PolarHBondContact CE1-O 2.83Å; H647-R671 VanDerWaalsContact CE1-O 3.31Å
648	E	93.9	Very high	94.3	Very high	113 Å²	113	43.1 Å²	43.1	53%	0.528	24%	0.243	S	C	.	.	S	Bend	trans	-74.7	7.2	179	-60.2	-177.8	-151.2	0	0	114.2	K668 D669 R671	E648-K668 WeakPolarHBondContact O-CD 3.38Å; E648-K668 PolarHBondContact O-NZ 2.96Å; E648-K668 VanDerWaalsContact O-NZ 3.14Å; E648-K668 IonicContact OE2-NZ 3.31Å; E648-D669 HydrophobicContact CB-CB 4.18Å; E648-D669 HydrophobicContact CG-CB 4.22Å; E648-D669 PolarHBondContact N-OD2 3Å; E648-R671 IonicContact OE1-CZ 2.77Å; E648-R671 IonicContact OE1-NH1 3.06Å; E648-R671 PolarHBondContact OE1-NH1 3.08Å; E648-R671 IonicContact OE1-NH2 2.86Å
649	G	93.3	Very high	93.9	Very high	13 Å²	13	45.7 Å²	45.7	13%	0.134	25%	0.254	C	S	.	.	S	Bend	trans	179.1	-166.9	-177.8	0	0	0	0	0	110.5	G627 H647	G627-G649 WeakPolarHBondContact CA-O 3.49Å; G627-G649 PolarHBondContact N-O 2.93Å; H647-G649 WeakPolarHBondContact CB-O 3.28Å; H647-G649 PolarHBondContact O-N 3.17Å; H647-G649 VanDerWaalsContact O-N 3.07Å
650	G	96.4	Very high	93.6	Very high	9 Å²	9	45.9 Å²	45.9	9%	0.093	26%	0.258	C	S	.	.			trans	-57.3	136.7	-168.8	0	0	0	0	0	116.3	D624 S625 G667	D624-G650 VanDerWaalsContact O-CA 3.26Å; D624-G650 WeakPolarHBondContact O-CA 3.36Å; S625-G650 PolarHBondContact O-N 3.04Å; G650-G667 PolarHBondContact O-N 3.4Å
651	I	98.2	Very high	93.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	113.7	173.6	-46.4	-171.8	0	0	0	109	L610 C611 D624 N628 I629 V646 H647 S653 L654	L610-I651 WeakPolarHBondContact CB-O 3.26Å; C611-I651 PolarHBondContact SG-O 2.91Å; D624-I651 PolarHBondContact O-N 3.18Å; N628-I651 WeakPolarHBondContact O-CD1 3.25Å; I629-I651 HydrophobicContact CD1-CD1 4.39Å; I629-I651 HydrophobicContact CG1-CD1 3.51Å; V646-I651 HydrophobicContact CB-CD1 4.46Å; H647-I651 HydrophobicContact CB-CG1 4.36Å; I651-S653 WeakPolarHBondContact CG2-O 3.39Å; I651-L654 HydrophobicContact CG2-CD2 4.01Å
652	F	96.8	Very high	93.9	Very high	39 Å²	39	43.1 Å²	43.1	17%	0.171	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-17.3	-176.5	-74.6	-70.5	0	0	0	114.5	L610 C611 G665 R696	L610-F652 HydrophobicContact CB-CD1 4.33Å; L610-F652 HydrophobicContact CD1-CD1 4.01Å; L610-F652 HydrophobicContact CD1-CE1 3.8Å; L610-F652 HydrophobicContact CD1-CZ 4.14Å; L610-F652 HydrophobicContact CD2-CD1 4.34Å; L610-F652 HydrophobicContact CD2-CE1 3.88Å; L610-F652 HydrophobicContact CG-CD1 4.47Å; L610-F652 HydrophobicContact CG-CE1 4.34Å; C611-F652 WeakPolarHBondContact CB-O 3.22Å; F652-G665 PolarHBondContact N-O 3.48Å; F652-R696 VanDerWaalsContact CE1-NH1 3.29Å; F652-R696 VanDerWaalsContact CG-NH1 3.32Å
653	S	97.4	Very high	94.1	Very high	9 Å²	9	41.7 Å²	41.7	6%	0.063	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	142.3	177.3	-158.6	0	0	0	0	111.6	I651 G665 I698	I651-S653 WeakPolarHBondContact CG2-O 3.39Å; S653-G665 PolarHBondContact O-N 3.15Å; S653-I698 PolarHBondContact OG-N 2.87Å
654	L	97.4	Very high	94.3	Very high	13 Å²	13	40.5 Å²	40.5	7%	0.068	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	122	164.1	-70.1	-177.8	0	0	0	106.9	T613 L621 I629 I651 L662	T613-L654 HydrophobicContact CG2-CB 3.67Å; T613-L654 HydrophobicContact CG2-CD1 4.15Å; L621-L654 HydrophobicContact CB-CD1 4.07Å; I629-L654 HydrophobicContact CD1-CD2 3.99Å; I629-L654 HydrophobicContact CG1-CD2 4.18Å; I629-L654 HydrophobicContact CG2-CD1 4.37Å; I651-L654 HydrophobicContact CG2-CD2 4.01Å; L654-L662 HydrophobicContact CB-CD1 4.04Å; L654-L662 HydrophobicContact CD2-CD1 4.24Å; L654-L662 HydrophobicContact CD2-CD2 4.39Å
655	C	96	Very high	94.5	Very high	12 Å²	12	33.7 Å²	33.7	8%	0.081	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	113	177.5	-178.3	0	0	0	0	109.1	I663 I698	C655-I663 PolarHBondContact N-O 3.2Å; C655-I663 PolarHBondContact O-N 2.79Å; C655-I698 HydrophobicContact CB-CB 3.85Å; C655-I698 HydrophobicContact CB-CG2 3.71Å
656	L	94.6	Very high	94.5	Very high	46 Å²	46	31 Å²	31	24%	0.241	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	130.1	166.4	-76.3	162.8	0	0	0	108.8	T613 F614 L621 L662	T613-L656 HydrophobicContact CG2-CD1 3.96Å; T613-L656 HydrophobicContact CG2-CG 4.31Å; F614-L656 VanDerWaalsContact C-CD1 3.49Å; F614-L656 WeakPolarHBondContact O-CD1 3.15Å; L621-L656 HydrophobicContact CD1-CD1 4.34Å; L621-L656 HydrophobicContact CD1-CD2 4.47Å; L656-L662 HydrophobicContact CD2-CB 3.85Å; L656-L662 HydrophobicContact CD2-CD1 3.99Å; L656-L662 HydrophobicContact CG-CD1 3.96Å
657	T	92.3	Very high	94	Very high	19 Å²	19	29.7 Å²	29.7	12%	0.117	16%	0.161	C	C	.	.			trans	-87.1	162.4	178.1	63.5	0	0	0	0	111.4	N659 G660 H661 I663	T657-N659 PolarHBondContact O-N 3.07Å; T657-G660 PolarHBondContact O-N 3.08Å; T657-H661 PolarHBondContact N-O 3.38Å; T657-H661 WeakPolarHBondContact OG1-CB 3.45Å; T657-H661 PolarHBondContact OG1-N 3.48Å; T657-H661 PolarHBondContact OG1-O 3.06Å; T657-I663 HydrophobicContact CG2-CD1 3.87Å; T657-I663 HydrophobicContact CG2-CG1 4.33Å
658	N	87.9	Confident	93.7	Very high	129 Å²	129	34 Å²	34	69%	0.69	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-9.1	173.6	-62.1	-39.4	0	0	0	114.6	Q700	N658-Q700 PolarHBondContact ND2-OE1 2.89Å
659	N	86.6	Confident	93.7	Very high	106 Å²	106	29 Å²	29	57%	0.567	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.1	13.6	176.4	-63	-9.7	0	0	0	112.3	T657 H661	T657-N659 PolarHBondContact O-N 3.07Å; N659-H661 PolarHBondContact O-N 2.84Å; N659-H661 VanDerWaalsContact O-N 3.11Å
660	G	88.7	Confident	93.8	Very high	11 Å²	11	30.8 Å²	30.8	11%	0.113	16%	0.159	C	C	.	.	S	Bend	trans	75.1	-12.5	-177.5	0	0	0	0	0	115.4	T657	T657-G660 PolarHBondContact O-N 3.08Å
661	H	93.4	Very high	93.8	Very high	87 Å²	87	33.7 Å²	33.7	40%	0.403	17%	0.167	S	C	.	.			trans	-65.7	141.8	176.9	-66	-176.2	0	0	0	111.3	T657 N659 F675 A677	T657-H661 PolarHBondContact N-O 3.38Å; T657-H661 WeakPolarHBondContact OG1-CB 3.45Å; T657-H661 PolarHBondContact OG1-N 3.48Å; T657-H661 PolarHBondContact OG1-O 3.06Å; N659-H661 PolarHBondContact O-N 2.84Å; N659-H661 VanDerWaalsContact O-N 3.11Å; H661-F675 WeakPolarHBondContact CB-O 3.25Å; H661-A677 PolarHBondContact CD2-N 2.88Å
662	L	96.2	Very high	93.7	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	140.1	178.5	173.9	71.7	0	0	0	111.3	L621 I629 L654 L656 F675 L679	L621-L662 HydrophobicContact CD1-CD1 4.46Å; L621-L662 HydrophobicContact CD1-CD2 4.04Å; I629-L662 HydrophobicContact CD1-CD2 4.08Å; I629-L662 HydrophobicContact CG2-CD2 4.42Å; L654-L662 HydrophobicContact CB-CD1 4.04Å; L654-L662 HydrophobicContact CD2-CD1 4.24Å; L654-L662 HydrophobicContact CD2-CD2 4.39Å; L656-L662 HydrophobicContact CD2-CB 3.85Å; L656-L662 HydrophobicContact CD2-CD1 3.99Å; L656-L662 HydrophobicContact CG-CD1 3.96Å; L662-F675 HydrophobicContact CB-CB 4.06Å; L662-F675 PolarHBondContact N-O 2.91Å; L662-F675 PolarHBondContact O-N 3.47Å; L662-L679 HydrophobicContact CB-CD2 4Å; L662-L679 HydrophobicContact CD2-CD2 3.75Å
663	I	96.4	Very high	93.7	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.031	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.9	173.3	-52.7	172.8	0	0	0	108.7	C655 T657 L672 V673 F674 I698 L706	C655-I663 PolarHBondContact N-O 3.2Å; C655-I663 PolarHBondContact O-N 2.79Å; T657-I663 HydrophobicContact CG2-CD1 3.87Å; T657-I663 HydrophobicContact CG2-CG1 4.33Å; I663-L672 HydrophobicContact CG2-CB 4.45Å; I663-V673 WeakPolarHBondContact CA-O 3.49Å; I663-F674 HydrophobicContact CD1-CD1 4.01Å; I663-F674 HydrophobicContact CD1-CE1 3.75Å; I663-F674 HydrophobicContact CG1-CD1 3.83Å; I663-F674 HydrophobicContact CG1-CE1 4.04Å; I663-F674 HydrophobicContact CG2-CD1 4.45Å; I663-F674 HydrophobicContact CG2-CE1 4.31Å; I663-F674 HydrophobicContact CG2-CZ 4.45Å; I663-I698 HydrophobicContact CG2-CD1 4.1Å; I663-L706 HydrophobicContact CD1-CD1 3.65Å; I663-L706 HydrophobicContact CD1-CD2 3.6Å; I663-L706 HydrophobicContact CD1-CG 4.28Å
664	S	97.6	Very high	93.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	135.5	176.4	63.5	0	0	0	0	112.2	H647 L672 V673	H647-S664 PolarHBondContact NE2-O 3.32Å; H647-S664 PolarHBondContact NE2-OG 2.72Å; S664-L672 WeakPolarHBondContact O-CA 3.21Å; S664-V673 PolarHBondContact N-O 2.92Å; S664-V673 PolarHBondContact O-N 2.93Å
665	G	97.2	Very high	93.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	108.5	-179.7	0	0	0	0	0	112.2	F652 S653	F652-G665 PolarHBondContact N-O 3.48Å; S653-G665 PolarHBondContact O-N 3.15Å
666	G	91.2	Very high	93.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	134.7	179.8	0	0	0	0	0	113.5	H647 D669 R670 R671	H647-G666 VanDerWaalsContact CE1-CA 3.49Å; H647-G666 WeakPolarHBondContact CE1-CA 3.27Å; H647-G666 PolarHBondContact CE1-N 3.3Å; H647-G666 VanDerWaalsContact CE1-N 3.33Å; H647-G666 VanDerWaalsContact ND1-CA 3.32Å; H647-G666 WeakPolarHBondContact ND1-CA 3.49Å; G666-D669 WeakPolarHBondContact CA-OD1 3.33Å; G666-R670 WeakPolarHBondContact O-CA 3.43Å; G666-R671 PolarHBondContact N-O 2.82Å
667	G	85.9	Confident	93.1	Very high	3 Å²	3	35.6 Å²	35.6	3%	0.031	19%	0.186	C	C	.	.	S	Bend	trans	-75.3	-67.8	176.1	0	0	0	0	0	112.7	G650 R670 S694	G650-G667 PolarHBondContact O-N 3.4Å; G667-R670 PolarHBondContact O-N 2.8Å; G667-S694 WeakPolarHBondContact O-CB 3.38Å; G667-S694 PolarHBondContact O-OG 3.09Å
668	K	90.8	Very high	92.9	Very high	98 Å²	98	37.7 Å²	37.7	43%	0.426	21%	0.206	S	C	.	.	S	Bend	trans	-69	-38.3	-168.8	-178.7	-178.5	158.1	-115.1	0	113.4	E648	E648-K668 WeakPolarHBondContact O-CD 3.38Å; E648-K668 PolarHBondContact O-NZ 2.96Å; E648-K668 VanDerWaalsContact O-NZ 3.14Å; E648-K668 IonicContact OE2-NZ 3.31Å
669	D	94	Very high	92.8	Very high	9 Å²	9	33 Å²	33	5%	0.048	18%	0.18	C	C	.	.	S	Bend	trans	-88.7	-8.7	179.2	55.7	17.7	0	0	0	113.5	H647 E648 G666 R671 E687	H647-D669 WeakPolarHBondContact CA-OD2 3.17Å; H647-D669 VanDerWaalsContact CB-OD2 3.29Å; H647-D669 WeakPolarHBondContact CB-OD2 3.49Å; H647-D669 IonicContact CG-OD2 3.69Å; H647-D669 IonicContact ND1-OD1 3.62Å; H647-D669 PolarHBondContact ND1-OD1 2.8Å; H647-D669 IonicContact ND1-OD2 2.75Å; H647-D669 PolarHBondContact ND1-OD2 2.93Å; E648-D669 HydrophobicContact CB-CB 4.18Å; E648-D669 HydrophobicContact CG-CB 4.22Å; E648-D669 PolarHBondContact N-OD2 3Å; G666-D669 WeakPolarHBondContact CA-OD1 3.33Å; D669-R671 HydrophobicContact CB-CG 4.21Å; D669-R671 PolarHBondContact O-N 3.31Å; D669-R671 PolarHBondContact OD1-N 3.01Å; D669-R671 VanDerWaalsContact OD1-N 3.11Å; D669-E687 WeakPolarHBondContact O-CG 3.21Å
670	R	95.8	Very high	93	Very high	49 Å²	49	31.8 Å²	31.8	19%	0.185	17%	0.174	C	C	.	.			trans	59.6	21.2	-177.4	-42.3	172.4	-69.3	-127.8	0.4	114	G666 G667 E687 L688 E690	G666-R670 WeakPolarHBondContact O-CA 3.43Å; G667-R670 PolarHBondContact O-N 2.8Å; R670-E687 HydrophobicContact CB-CG 4.43Å; R670-E687 IonicContact CZ-OE1 3.33Å; R670-E687 IonicContact NE-OE1 3.44Å; R670-E687 IonicContact NH2-OE1 2.71Å; R670-E687 PolarHBondContact NH2-OE1 3.46Å; R670-L688 HydrophobicContact CB-CB 4.12Å; R670-L688 WeakPolarHBondContact CD-O 3.3Å; R670-L688 PolarHBondContact NE-O 3.17Å; R670-L688 PolarHBondContact O-N 2.76Å; R670-E690 IonicContact CZ-OE2 3.58Å; R670-E690 VanDerWaalsContact NH1-CD 3.34Å; R670-E690 IonicContact NH1-OE2 3.54Å; R670-E690 PolarHBondContact NH1-OE2 2.84Å
671	R	96.2	Very high	93.1	Very high	71 Å²	71	35.3 Å²	35.3	27%	0.268	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	150.7	-171.9	-75.2	168.9	-171.1	144.3	12.4	113.6	H647 E648 G666 D669 V673 T685 E686 E687	H647-R671 PolarHBondContact CE1-O 2.83Å; H647-R671 VanDerWaalsContact CE1-O 3.31Å; E648-R671 IonicContact OE1-CZ 2.77Å; E648-R671 IonicContact OE1-NH1 3.06Å; E648-R671 PolarHBondContact OE1-NH1 3.08Å; E648-R671 IonicContact OE1-NH2 2.86Å; G666-R671 PolarHBondContact N-O 2.82Å; D669-R671 HydrophobicContact CB-CG 4.21Å; D669-R671 PolarHBondContact O-N 3.31Å; D669-R671 PolarHBondContact OD1-N 3.01Å; D669-R671 VanDerWaalsContact OD1-N 3.11Å; R671-V673 HydrophobicContact CB-CG2 4.47Å; R671-T685 HydrophobicContact CB-CG2 3.97Å; R671-T685 HydrophobicContact CG-CG2 3.88Å; R671-E686 CarbonylContact C-O 3.59Å; R671-E686 WeakPolarHBondContact CA-O 3.3Å; R671-E687 HydrophobicContact CG-CB 3.96Å; R671-E687 HydrophobicContact CG-CG 3.91Å; R671-E687 IonicContact CZ-OE2 2.71Å; R671-E687 VanDerWaalsContact CZ-OE2 3.22Å; R671-E687 IonicContact NE-OE2 3.58Å; R671-E687 PolarHBondContact NE-OE2 2.72Å; R671-E687 IonicContact NH2-OE2 3.49Å; R671-E687 PolarHBondContact NH2-OE2 2.7Å
672	L	96.4	Very high	93.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	117.2	162.7	-57.4	171.7	0	0	0	107.2	I663 S664 F674 T685 E686 V695 I698 I708 M722	I663-L672 HydrophobicContact CG2-CB 4.45Å; S664-L672 WeakPolarHBondContact O-CA 3.21Å; L672-F674 HydrophobicContact CB-CE2 3.85Å; L672-F674 HydrophobicContact CB-CZ 4.34Å; L672-T685 VanDerWaalsContact O-CA 3.29Å; L672-T685 WeakPolarHBondContact O-CA 3.31Å; L672-E686 HydrophobicContact CB-CB 4.43Å; L672-E686 PolarHBondContact N-O 2.87Å; L672-E686 PolarHBondContact O-N 3.25Å; L672-V695 HydrophobicContact CD2-CG1 4.43Å; L672-V695 HydrophobicContact CD2-CG2 3.91Å; L672-I698 HydrophobicContact CD2-CD1 3.59Å; L672-I698 HydrophobicContact CD2-CG1 4.19Å; L672-I708 HydrophobicContact CD1-CD1 3.73Å; L672-I708 HydrophobicContact CD2-CD1 4.45Å; L672-M722 HydrophobicContact CD1-CE 3.51Å
673	V	96.7	Very high	92.8	Very high	14 Å²	14	38 Å²	38	9%	0.085	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.7	176.9	-179.3	0	0	0	0	109.3	V646 I663 S664 R671 F675 T685	V646-V673 HydrophobicContact CG1-CB 4.06Å; V646-V673 HydrophobicContact CG1-CG1 3.98Å; V646-V673 HydrophobicContact CG1-CG2 4.32Å; I663-V673 WeakPolarHBondContact CA-O 3.49Å; S664-V673 PolarHBondContact N-O 2.92Å; S664-V673 PolarHBondContact O-N 2.93Å; R671-V673 HydrophobicContact CB-CG2 4.47Å; V673-F675 HydrophobicContact CB-CE2 4.25Å; V673-F675 HydrophobicContact CG1-CD2 4.44Å; V673-F675 HydrophobicContact CG1-CE2 3.76Å; V673-F675 HydrophobicContact CG1-CZ 4.24Å; V673-T685 HydrophobicContact CG2-CG2 3.99Å
674	F	95.8	Very high	92.6	Very high	25 Å²	25	42.7 Å²	42.7	11%	0.11	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.8	-168.9	-65.6	-106.4	0	0	0	111.5	I663 L672 T682 R684 E686 L706 M722	I663-F674 HydrophobicContact CD1-CD1 4.01Å; I663-F674 HydrophobicContact CD1-CE1 3.75Å; I663-F674 HydrophobicContact CG1-CD1 3.83Å; I663-F674 HydrophobicContact CG1-CE1 4.04Å; I663-F674 HydrophobicContact CG2-CD1 4.45Å; I663-F674 HydrophobicContact CG2-CE1 4.31Å; I663-F674 HydrophobicContact CG2-CZ 4.45Å; L672-F674 HydrophobicContact CB-CE2 3.85Å; L672-F674 HydrophobicContact CB-CZ 4.34Å; F674-T682 WeakPolarHBondContact CB-OG1 3.26Å; F674-T682 WeakPolarHBondContact O-CB 3.35Å; F674-T682 WeakPolarHBondContact O-CG2 3.05Å; F674-T682 PolarHBondContact O-N 3.23Å; F674-T682 PolarHBondContact O-OG1 3.47Å; F674-R684 HydrophobicContact CB-CB 4.16Å; F674-R684 HydrophobicContact CD2-CB 4.19Å; F674-R684 HydrophobicContact CD2-CG 3.86Å; F674-R684 HydrophobicContact CE2-CG 4.26Å; F674-R684 HydrophobicContact CG-CB 4.35Å; F674-R684 HydrophobicContact CG-CG 4.28Å; F674-R684 PolarHBondContact N-O 3.03Å; F674-E686 HydrophobicContact CE2-CB 4.49Å; F674-E686 HydrophobicContact CE2-CG 3.76Å; F674-E686 HydrophobicContact CZ-CG 4.25Å; F674-L706 HydrophobicContact CE1-CD1 4.08Å; F674-L706 HydrophobicContact CZ-CD1 4.19Å; F674-M722 HydrophobicContact CZ-CE 4.12Å; F674-M722 HydrophobicContact CZ-SD 4.1Å
675	F	95.5	Very high	92.4	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.013	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	148.7	-178.5	-65.4	-105.6	0	0	0	110.9	I629 V646 H661 L662 V673 L679 N680 P681	I629-F675 HydrophobicContact CD1-CD2 4.37Å; I629-F675 HydrophobicContact CD1-CE1 4.26Å; I629-F675 HydrophobicContact CD1-CE2 3.61Å; I629-F675 HydrophobicContact CD1-CZ 3.55Å; V646-F675 HydrophobicContact CB-CZ 4.46Å; V646-F675 HydrophobicContact CG1-CE2 3.88Å; V646-F675 HydrophobicContact CG1-CZ 3.6Å; V646-F675 HydrophobicContact CG2-CZ 3.93Å; H661-F675 WeakPolarHBondContact CB-O 3.25Å; L662-F675 HydrophobicContact CB-CB 4.06Å; L662-F675 PolarHBondContact N-O 2.91Å; L662-F675 PolarHBondContact O-N 3.47Å; V673-F675 HydrophobicContact CB-CE2 4.25Å; V673-F675 HydrophobicContact CG1-CD2 4.44Å; V673-F675 HydrophobicContact CG1-CE2 3.76Å; V673-F675 HydrophobicContact CG1-CZ 4.24Å; F675-L679 WeakPolarHBondContact CD1-O 3.49Å; F675-N680 CarbonylContact C-O 3.56Å; F675-N680 VanDerWaalsContact CA-O 3.23Å; F675-N680 WeakPolarHBondContact CA-O 3.39Å; F675-P681 HydrophobicContact CD1-CB 4.41Å; F675-P681 HydrophobicContact CD1-CG 4.14Å; F675-P681 HydrophobicContact CE1-CB 4.21Å; F675-P681 HydrophobicContact CE1-CG 3.7Å; F675-P681 HydrophobicContact CZ-CG 4.42Å
676	D	92.9	Very high	92.3	Very high	50 Å²	50	48.4 Å²	48.4	27%	0.267	28%	0.28	S	S	.	.			trans	-73.5	175.7	171.6	72	12.5	0	0	0	112.1	A678 L679 N680 T682	D676-A678 PolarHBondContact O-N 3.1Å; D676-A678 VanDerWaalsContact O-N 3.14Å; D676-A678 VanDerWaalsContact OD1-CA 3.28Å; D676-A678 WeakPolarHBondContact OD1-CA 3.43Å; D676-A678 WeakPolarHBondContact OD1-CB 3.45Å; D676-A678 PolarHBondContact OD1-N 2.69Å; D676-L679 PolarHBondContact O-N 3.23Å; D676-L679 PolarHBondContact OD1-N 3.38Å; D676-N680 PolarHBondContact N-O 2.78Å; D676-N680 PolarHBondContact OD1-N 2.83Å; D676-N680 PolarHBondContact OD1-ND2 2.81Å; D676-N680 WeakPolarHBondContact OD2-CB 3.41Å; D676-N680 PolarHBondContact OD2-ND2 3.05Å; D676-T682 HydrophobicContact CB-CG2 4.47Å
677	A	88.4	Confident	92.5	Very high	66 Å²	66	52.5 Å²	52.5	55%	0.545	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-7.2	177.7	0	0	0	0	0	114.2	H661	H661-A677 PolarHBondContact CD2-N 2.88Å
678	A	86.8	Confident	92.9	Very high	64 Å²	64	52.5 Å²	52.5	53%	0.529	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	12.2	173.5	0	0	0	0	0	112.4	D676 N680	D676-A678 PolarHBondContact O-N 3.1Å; D676-A678 VanDerWaalsContact O-N 3.14Å; D676-A678 VanDerWaalsContact OD1-CA 3.28Å; D676-A678 WeakPolarHBondContact OD1-CA 3.43Å; D676-A678 WeakPolarHBondContact OD1-CB 3.45Å; D676-A678 PolarHBondContact OD1-N 2.69Å; A678-N680 VanDerWaalsContact C-N 3.27Å; A678-N680 WeakPolarHBondContact CB-ND2 3.46Å; A678-N680 PolarHBondContact O-N 3.11Å
679	L	86.6	Confident	93	Very high	29 Å²	29	51 Å²	51	15%	0.152	30%	0.298	C	S	.	.	S	Bend	trans	61.5	27.4	180	-53.3	176.7	0	0	0	114.3	L621 L662 F675 D676	L621-L679 HydrophobicContact CD1-CD1 4.21Å; L621-L679 HydrophobicContact CD1-CD2 3.99Å; L621-L679 HydrophobicContact CD2-CD1 3.69Å; L662-L679 HydrophobicContact CB-CD2 4Å; L662-L679 HydrophobicContact CD2-CD2 3.75Å; F675-L679 WeakPolarHBondContact CD1-O 3.49Å; D676-L679 PolarHBondContact O-N 3.23Å; D676-L679 PolarHBondContact OD1-N 3.38Å
680	N	90.6	Very high	92.8	Very high	82 Å²	82	57 Å²	57	44%	0.439	33%	0.325	S	S	.	.			trans	-85.3	136.3	167.3	-50.7	-70.8	0	0	0	110	F675 D676 A678 T682	F675-N680 CarbonylContact C-O 3.56Å; F675-N680 VanDerWaalsContact CA-O 3.23Å; F675-N680 WeakPolarHBondContact CA-O 3.39Å; D676-N680 PolarHBondContact N-O 2.78Å; D676-N680 PolarHBondContact OD1-N 2.83Å; D676-N680 PolarHBondContact OD1-ND2 2.81Å; D676-N680 WeakPolarHBondContact OD2-CB 3.41Å; D676-N680 PolarHBondContact OD2-ND2 3.05Å; A678-N680 VanDerWaalsContact C-N 3.27Å; A678-N680 WeakPolarHBondContact CB-ND2 3.46Å; A678-N680 PolarHBondContact O-N 3.11Å; N680-T682 PolarHBondContact O-N 3.48Å
681	P	90.6	Very high	92.4	Very high	85 Å²	85	60 Å²	60	55%	0.552	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.1	126.2	170.3	-18.9	29.3	0	0	0	111	F675 G683	F675-P681 HydrophobicContact CD1-CB 4.41Å; F675-P681 HydrophobicContact CD1-CG 4.14Å; F675-P681 HydrophobicContact CE1-CB 4.21Å; F675-P681 HydrophobicContact CE1-CG 3.7Å; F675-P681 HydrophobicContact CZ-CG 4.42Å; P681-G683 PolarHBondContact O-N 2.82Å
682	T	93.1	Very high	92.2	Very high	76 Å²	76	58 Å²	58	47%	0.466	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	-11.2	178.3	61.9	0	0	0	0	113.6	F674 D676 N680 R684	F674-T682 WeakPolarHBondContact CB-OG1 3.26Å; F674-T682 WeakPolarHBondContact O-CB 3.35Å; F674-T682 WeakPolarHBondContact O-CG2 3.05Å; F674-T682 PolarHBondContact O-N 3.23Å; F674-T682 PolarHBondContact O-OG1 3.47Å; D676-T682 HydrophobicContact CB-CG2 4.47Å; N680-T682 PolarHBondContact O-N 3.48Å; T682-R684 PolarHBondContact O-N 2.7Å; T682-R684 WeakPolarHBondContact OG1-CB 3.37Å; T682-R684 PolarHBondContact OG1-N 3.38Å
683	G	90.1	Very high	92	Very high	69 Å²	69	58.4 Å²	58.4	71%	0.711	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	79.8	-12.6	-168.7	0	0	0	0	0	114.4	P681	P681-G683 PolarHBondContact O-N 2.82Å
684	R	93.3	Very high	92	Very high	103 Å²	103	59.1 Å²	59.1	39%	0.389	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	130.9	172.1	-174.2	-176	-167.5	164.2	13.4	110.1	F674 T682 E686	F674-R684 HydrophobicContact CB-CB 4.16Å; F674-R684 HydrophobicContact CD2-CB 4.19Å; F674-R684 HydrophobicContact CD2-CG 3.86Å; F674-R684 HydrophobicContact CE2-CG 4.26Å; F674-R684 HydrophobicContact CG-CB 4.35Å; F674-R684 HydrophobicContact CG-CG 4.28Å; F674-R684 PolarHBondContact N-O 3.03Å; T682-R684 PolarHBondContact O-N 2.7Å; T682-R684 WeakPolarHBondContact OG1-CB 3.37Å; T682-R684 PolarHBondContact OG1-N 3.38Å; R684-E686 IonicContact CZ-OE1 3.44Å; R684-E686 VanDerWaalsContact CZ-OE1 3.24Å; R684-E686 IonicContact NE-OE1 3.44Å; R684-E686 PolarHBondContact NE-OE1 2.73Å; R684-E686 IonicContact NH2-OE1 2.66Å; R684-E686 PolarHBondContact NH2-OE1 3.2Å
685	T	93.4	Very high	92	Very high	65 Å²	65	57.9 Å²	57.9	40%	0.399	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	136	173.1	-59.8	0	0	0	0	108.7	R671 L672 V673	R671-T685 HydrophobicContact CB-CG2 3.97Å; R671-T685 HydrophobicContact CG-CG2 3.88Å; L672-T685 VanDerWaalsContact O-CA 3.29Å; L672-T685 WeakPolarHBondContact O-CA 3.31Å; V673-T685 HydrophobicContact CG2-CG2 3.99Å
686	E	94.3	Very high	92.1	Very high	55 Å²	55	59 Å²	59	26%	0.257	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	140.2	175.5	-49.3	-73.3	179.9	0	0	107.9	R671 L672 F674 R684 M722	R671-E686 CarbonylContact C-O 3.59Å; R671-E686 WeakPolarHBondContact CA-O 3.3Å; L672-E686 HydrophobicContact CB-CB 4.43Å; L672-E686 PolarHBondContact N-O 2.87Å; L672-E686 PolarHBondContact O-N 3.25Å; F674-E686 HydrophobicContact CE2-CB 4.49Å; F674-E686 HydrophobicContact CE2-CG 3.76Å; F674-E686 HydrophobicContact CZ-CG 4.25Å; R684-E686 IonicContact CZ-OE1 3.44Å; R684-E686 VanDerWaalsContact CZ-OE1 3.24Å; R684-E686 IonicContact NE-OE1 3.44Å; R684-E686 PolarHBondContact NE-OE1 2.73Å; R684-E686 IonicContact NH2-OE1 2.66Å; R684-E686 PolarHBondContact NH2-OE1 3.2Å; E686-M722 HydrophobicContact CB-CE 4.28Å; E686-M722 HydrophobicContact CG-CB 4.2Å; E686-M722 HydrophobicContact CG-CE 4Å; E686-M722 HydrophobicContact CG-CG 4Å
687	E	94.7	Very high	92.3	Very high	86 Å²	86	56.9 Å²	56.9	40%	0.402	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.4	-178.4	-169.8	175.4	132.6	0	0	111.5	D669 R670 R671	D669-E687 WeakPolarHBondContact O-CG 3.21Å; R670-E687 HydrophobicContact CB-CG 4.43Å; R670-E687 IonicContact CZ-OE1 3.33Å; R670-E687 IonicContact NE-OE1 3.44Å; R670-E687 IonicContact NH2-OE1 2.71Å; R670-E687 PolarHBondContact NH2-OE1 3.46Å; R671-E687 HydrophobicContact CG-CB 3.96Å; R671-E687 HydrophobicContact CG-CG 3.91Å; R671-E687 IonicContact CZ-OE2 2.71Å; R671-E687 VanDerWaalsContact CZ-OE2 3.22Å; R671-E687 IonicContact NE-OE2 3.58Å; R671-E687 PolarHBondContact NE-OE2 2.72Å; R671-E687 IonicContact NH2-OE2 3.49Å; R671-E687 PolarHBondContact NH2-OE2 2.7Å
688	L	94.4	Very high	92.7	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.016	31%	0.31	C	S	.	.			trans	-72.8	144	174.5	-56.8	-174.6	0	0	0	111.2	R670 V695 I708 T710 L716 I724	R670-L688 HydrophobicContact CB-CB 4.12Å; R670-L688 WeakPolarHBondContact CD-O 3.3Å; R670-L688 PolarHBondContact NE-O 3.17Å; R670-L688 PolarHBondContact O-N 2.76Å; L688-V695 HydrophobicContact CD1-CG2 3.71Å; L688-V695 HydrophobicContact CG-CG2 4.3Å; L688-I708 HydrophobicContact CD1-CG2 4.31Å; L688-I708 HydrophobicContact CD2-CD1 4.48Å; L688-T710 HydrophobicContact CD1-CG2 4.3Å; L688-L716 HydrophobicContact CD1-CD1 3.94Å; L688-L716 HydrophobicContact CD2-CD1 3.88Å; L688-I724 HydrophobicContact CD2-CD1 3.53Å; L688-I724 HydrophobicContact CD2-CG2 4.23Å
689	T	92.3	Very high	93.1	Very high	68 Å²	68	52.2 Å²	52.2	42%	0.417	29%	0.291	S	S	.	.			trans	-65.1	152.8	174.9	76.7	0	0	0	0	111.8	L691 Y692 G693	T689-L691 PolarHBondContact O-N 3.49Å; T689-L691 VanDerWaalsContact O-N 3.16Å; T689-Y692 HydrophobicContact CG2-CD2 4.46Å; T689-Y692 HydrophobicContact CG2-CE2 4.35Å; T689-Y692 PolarHBondContact O-N 3.22Å; T689-Y692 WeakPolarHBondContact OG1-CD2 3.43Å; T689-G693 PolarHBondContact O-N 3.2Å
690	E	90	Very high	93.5	Very high	134 Å²	134	52.1 Å²	52.1	63%	0.626	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.6	178.8	-160.1	151.7	149.2	0	0	113.7	R670 G693 K712	R670-E690 IonicContact CZ-OE2 3.58Å; R670-E690 VanDerWaalsContact NH1-CD 3.34Å; R670-E690 IonicContact NH1-OE2 3.54Å; R670-E690 PolarHBondContact NH1-OE2 2.84Å; E690-G693 PolarHBondContact O-N 3.22Å; E690-K712 PolarHBondContact O-NZ 3.02Å
691	L	89	Confident	93.5	Very high	113 Å²	113	48.4 Å²	48.4	59%	0.592	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-40.6	173.9	-58.3	175.9	0	0	0	111.3	T689 K712	T689-L691 PolarHBondContact O-N 3.49Å; T689-L691 VanDerWaalsContact O-N 3.16Å; L691-K712 VanDerWaalsContact O-CD 3.25Å; L691-K712 WeakPolarHBondContact O-CD 3.43Å
692	Y	91.9	Very high	93.4	Very high	29 Å²	29	47.3 Å²	47.3	11%	0.114	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-24.9	179.4	-58.1	-28.7	0	0	0	113.6	T689 T710 M714 L716 I724	T689-Y692 HydrophobicContact CG2-CD2 4.46Å; T689-Y692 HydrophobicContact CG2-CE2 4.35Å; T689-Y692 PolarHBondContact O-N 3.22Å; T689-Y692 WeakPolarHBondContact OG1-CD2 3.43Å; Y692-T710 WeakPolarHBondContact O-CB 3.32Å; Y692-T710 WeakPolarHBondContact O-CG2 3.48Å; Y692-T710 PolarHBondContact O-OG1 3.38Å; Y692-M714 HydrophobicContact CD1-SD 3.9Å; Y692-L716 HydrophobicContact CD1-CD2 3.9Å; Y692-L716 HydrophobicContact CD2-CD1 3.66Å; Y692-L716 HydrophobicContact CD2-CD2 4.22Å; Y692-L716 HydrophobicContact CE1-CD2 4.18Å; Y692-L716 HydrophobicContact CE2-CD1 4.27Å; Y692-L716 HydrophobicContact CE2-CD2 4.48Å; Y692-L716 HydrophobicContact CG-CD1 3.9Å; Y692-L716 HydrophobicContact CG-CD2 3.91Å; Y692-I724 HydrophobicContact CE2-CG2 4.04Å; Y692-I724 PolarHBondContact OH-O 2.85Å
693	G	92.2	Very high	93.1	Very high	7 Å²	7	46.4 Å²	46.4	7%	0.072	27%	0.27	C	S	.	.			trans	83.3	-163	-177.9	0	0	0	0	0	114.1	T689 E690	T689-G693 PolarHBondContact O-N 3.2Å; E690-G693 PolarHBondContact O-N 3.22Å
694	S	95.1	Very high	93	Very high	29 Å²	29	49.1 Å²	49.1	20%	0.203	26%	0.264	C	S	.	.			trans	-83.4	152.2	-175.2	-60	0	0	0	0	112.4	G667 R696 T710 T711	G667-S694 WeakPolarHBondContact O-CB 3.38Å; G667-S694 PolarHBondContact O-OG 3.09Å; S694-R696 PolarHBondContact O-N 3.04Å; S694-T710 CarbonylContact O-C 3.55Å; S694-T710 WeakPolarHBondContact O-CA 3.26Å; S694-T710 WeakPolarHBondContact O-CB 3.25Å; S694-T711 WeakPolarHBondContact CB-OG1 3.24Å; S694-T711 PolarHBondContact N-OG1 3.02Å; S694-T711 VanDerWaalsContact N-OG1 3.1Å; S694-T711 PolarHBondContact O-N 3.28Å
695	V	97.3	Very high	92.9	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	-65.2	128.6	171.6	-174.8	0	0	0	0	109.7	L672 L688 I698 I708	L672-V695 HydrophobicContact CD2-CG1 4.43Å; L672-V695 HydrophobicContact CD2-CG2 3.91Å; L688-V695 HydrophobicContact CD1-CG2 3.71Å; L688-V695 HydrophobicContact CG-CG2 4.3Å; V695-I698 HydrophobicContact CG1-CD1 4.06Å; V695-I698 HydrophobicContact CG1-CG1 3.76Å; V695-I708 HydrophobicContact CG1-CG2 4.04Å
696	R	96.9	Very high	93	Very high	26 Å²	26	43 Å²	43	10%	0.098	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-42.7	171.7	171.6	62.2	78.5	-135.5	6.1	112.2	G417 R418 C420 F652 S694 G709 T711	G417-R696 WeakPolarHBondContact O-CG 3.5Å; G417-R696 PolarHBondContact O-NE 3.34Å; R418-R696 PolarHBondContact O-NH2 3.1Å; C420-R696 WeakPolarHBondContact O-CD 3.38Å; C420-R696 WeakPolarHBondContact O-CG 3.32Å; C420-R696 PolarHBondContact O-NE 2.87Å; C420-R696 VanDerWaalsContact O-NE 3.09Å; F652-R696 VanDerWaalsContact CE1-NH1 3.29Å; F652-R696 VanDerWaalsContact CG-NH1 3.32Å; S694-R696 PolarHBondContact O-N 3.04Å; R696-G709 WeakPolarHBondContact CA-O 3.47Å; R696-G709 WeakPolarHBondContact CB-O 3.49Å; R696-G709 PolarHBondContact N-O 3.28Å; R696-T711 HydrophobicContact CB-CG2 4.34Å
697	T	97.1	Very high	93.1	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	146.3	-176	-171.8	0	0	0	0	109.9	Y415 L424 I708 G709	Y415-T697 VanDerWaalsContact OH-CG2 3.25Å; Y415-T697 WeakPolarHBondContact OH-CG2 3.27Å; L424-T697 HydrophobicContact CB-CG2 3.7Å; L424-T697 HydrophobicContact CD2-CG2 4.08Å; T697-I708 CarbonylContact O-C 3.51Å; T697-I708 WeakPolarHBondContact O-CA 3.36Å; T697-G709 PolarHBondContact N-O 3.47Å; T697-G709 VanDerWaalsContact N-O 3.11Å; T697-G709 PolarHBondContact O-N 3.33Å
698	I	97.2	Very high	93.3	Very high	10 Å²	10	36.2 Å²	36.2	5%	0.051	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.9	177.4	-54.7	165.2	0	0	0	107.2	S653 C655 I663 L672 V695 I707	S653-I698 PolarHBondContact OG-N 2.87Å; C655-I698 HydrophobicContact CB-CB 3.85Å; C655-I698 HydrophobicContact CB-CG2 3.71Å; I663-I698 HydrophobicContact CG2-CD1 4.1Å; L672-I698 HydrophobicContact CD2-CD1 3.59Å; L672-I698 HydrophobicContact CD2-CG1 4.19Å; V695-I698 HydrophobicContact CG1-CD1 4.06Å; V695-I698 HydrophobicContact CG1-CG1 3.76Å; I698-I707 WeakPolarHBondContact CA-O 3.34Å
699	T	95.5	Very high	93.4	Very high	22 Å²	22	36.1 Å²	36.1	14%	0.135	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.3	168.4	-167.6	0	0	0	0	109.7	L424 L432 I707	L424-T699 HydrophobicContact CG-CG2 4.31Å; L432-T699 HydrophobicContact CD2-CG2 4.48Å; T699-I707 HydrophobicContact CG2-CB 3.86Å; T699-I707 HydrophobicContact CG2-CG2 4.27Å; T699-I707 PolarHBondContact N-O 2.89Å; T699-I707 PolarHBondContact O-N 3.48Å
700	Q	93.9	Very high	93.7	Very high	27 Å²	27	32.9 Å²	32.9	13%	0.126	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	133.2	171.9	-169.9	175.9	3.8	0	0	109.2	Y426 N658 G703	Y426-Q700 WeakPolarHBondContact CB-O 3.45Å; N658-Q700 PolarHBondContact ND2-OE1 2.89Å; Q700-G703 PolarHBondContact NE2-O 3.44Å
701	G	91.5	Very high	93.9	Very high	5 Å²	5	28 Å²	28	5%	0.052	16%	0.164	C	C	.	.			trans	-90.5	-147.9	170.8	0	0	0	0	0	111.9	L705	G701-L705 PolarHBondContact N-O 2.91Å
702	P	88.5	Confident	94.2	Very high	61 Å²	61	24.4 Å²	24.4	40%	0.396	14%	0.144	S	C	.	.	S	Bend	trans	-73.4	138	172.9	31.4	-31.1	0	0	0	110.9	Y426 E704 L705	Y426-P702 HydrophobicContact CE1-CB 4.42Å; P702-E704 PolarHBondContact O-N 2.89Å; P702-L705 HydrophobicContact CG-CD2 4.31Å; P702-L705 VanDerWaalsContact O-CB 3.31Å; P702-L705 WeakPolarHBondContact O-CB 3.48Å; P702-L705 PolarHBondContact O-N 3.16Å
703	G	87.1	Confident	94.4	Very high	57 Å²	57	23 Å²	23	59%	0.588	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	-128.3	179.9	0	0	0	0	0	112.4	Q700	Q700-G703 PolarHBondContact NE2-O 3.44Å
704	E	87.4	Confident	94.6	Very high	126 Å²	126	23.2 Å²	23.2	59%	0.589	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	6.7	178.6	-59.7	-171.8	150.9	0	0	113.6	P702 L706 P720	P702-E704 PolarHBondContact O-N 2.89Å; E704-L706 PolarHBondContact O-N 2.96Å; E704-P720 HydrophobicContact CB-CG 4.39Å
705	L	92.2	Very high	94.7	Very high	31 Å²	31	21.8 Å²	21.8	16%	0.162	13%	0.128	C	C	.	.			trans	-63.6	126.1	179.7	-167.9	70.8	0	0	0	110.6	G701 P702 I707 Q717	G701-L705 PolarHBondContact N-O 2.91Å; P702-L705 HydrophobicContact CG-CD2 4.31Å; P702-L705 VanDerWaalsContact O-CB 3.31Å; P702-L705 WeakPolarHBondContact O-CB 3.48Å; P702-L705 PolarHBondContact O-N 3.16Å; L705-I707 HydrophobicContact CD2-CD1 3.76Å; L705-I707 HydrophobicContact CD2-CG1 4.44Å; L705-I707 HydrophobicContact CG-CD1 3.99Å; L705-Q717 HydrophobicContact CD1-CB 4.26Å
706	L	95.1	Very high	94.7	Very high	8 Å²	8	21.8 Å²	21.8	4%	0.042	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.7	171.2	-56.7	179.2	0	0	0	109.8	I663 F674 E704 Q717 A718 M722	I663-L706 HydrophobicContact CD1-CD1 3.65Å; I663-L706 HydrophobicContact CD1-CD2 3.6Å; I663-L706 HydrophobicContact CD1-CG 4.28Å; F674-L706 HydrophobicContact CE1-CD1 4.08Å; F674-L706 HydrophobicContact CZ-CD1 4.19Å; E704-L706 PolarHBondContact O-N 2.96Å; L706-Q717 CarbonylContact O-C 3.52Å; L706-Q717 WeakPolarHBondContact O-CA 3.37Å; L706-A718 HydrophobicContact CB-CB 4.37Å; L706-A718 PolarHBondContact N-O 3.35Å; L706-A718 PolarHBondContact O-N 3.28Å; L706-M722 HydrophobicContact CD1-CE 4.21Å; L706-M722 HydrophobicContact CD1-SD 3.85Å
707	I	96.6	Very high	94.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.1	176	-56.4	-62.5	0	0	0	108.5	L424 L432 I445 I698 T699 L705 I715 L716 Q717 L727	L424-I707 HydrophobicContact CD2-CG2 3.91Å; L424-I707 HydrophobicContact CG-CG2 4.33Å; L432-I707 HydrophobicContact CD1-CG2 3.89Å; L432-I707 HydrophobicContact CD2-CB 4.31Å; L432-I707 HydrophobicContact CD2-CG1 4.18Å; L432-I707 HydrophobicContact CD2-CG2 3.83Å; I445-I707 HydrophobicContact CD1-CD1 4.38Å; I698-I707 WeakPolarHBondContact CA-O 3.34Å; T699-I707 HydrophobicContact CG2-CB 3.86Å; T699-I707 HydrophobicContact CG2-CG2 4.27Å; T699-I707 PolarHBondContact N-O 2.89Å; T699-I707 PolarHBondContact O-N 3.48Å; L705-I707 HydrophobicContact CD2-CD1 3.76Å; L705-I707 HydrophobicContact CD2-CG1 4.44Å; L705-I707 HydrophobicContact CG-CD1 3.99Å; I707-I715 HydrophobicContact CG2-CG2 3.7Å; I707-L716 WeakPolarHBondContact CA-O 3.47Å; I707-Q717 HydrophobicContact CD1-CB 3.75Å; I707-L727 HydrophobicContact CD1-CD1 3.81Å
708	I	97.5	Very high	94.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	116.2	-166.2	-51.8	160.1	0	0	0	109.6	L672 L688 V695 T697 I715 L716 A718	L672-I708 HydrophobicContact CD1-CD1 3.73Å; L672-I708 HydrophobicContact CD2-CD1 4.45Å; L688-I708 HydrophobicContact CD1-CG2 4.31Å; L688-I708 HydrophobicContact CD2-CD1 4.48Å; V695-I708 HydrophobicContact CG1-CG2 4.04Å; T697-I708 CarbonylContact O-C 3.51Å; T697-I708 WeakPolarHBondContact O-CA 3.36Å; I708-I715 WeakPolarHBondContact O-CA 3.18Å; I708-L716 HydrophobicContact CB-CB 4.33Å; I708-L716 PolarHBondContact N-O 2.79Å; I708-L716 PolarHBondContact O-N 2.73Å; I708-A718 HydrophobicContact CD1-CB 4.43Å
709	G	97.8	Very high	94	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	135.4	168.9	0	0	0	0	0	110.6	R696 T697 M714	R696-G709 WeakPolarHBondContact CA-O 3.47Å; R696-G709 WeakPolarHBondContact CB-O 3.49Å; R696-G709 PolarHBondContact N-O 3.28Å; T697-G709 PolarHBondContact N-O 3.47Å; T697-G709 VanDerWaalsContact N-O 3.11Å; T697-G709 PolarHBondContact O-N 3.33Å; G709-M714 WeakPolarHBondContact CA-O 3.21Å
710	T	97.5	Very high	93.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	165	-175.4	82.9	0	0	0	0	113.8	G417 L688 Y692 S694 K712 N713 M714 L716	G417-T710 CarbonylContact C-O 3.53Å; G417-T710 WeakPolarHBondContact CA-O 3.43Å; L688-T710 HydrophobicContact CD1-CG2 4.3Å; Y692-T710 WeakPolarHBondContact O-CB 3.32Å; Y692-T710 WeakPolarHBondContact O-CG2 3.48Å; Y692-T710 PolarHBondContact O-OG1 3.38Å; S694-T710 CarbonylContact O-C 3.55Å; S694-T710 WeakPolarHBondContact O-CA 3.26Å; S694-T710 WeakPolarHBondContact O-CB 3.25Å; T710-K712 VanDerWaalsContact C-N 3.26Å; T710-K712 PolarHBondContact O-N 3.14Å; T710-K712 PolarHBondContact OG1-N 2.73Å; T710-N713 PolarHBondContact O-N 2.93Å; T710-M714 HydrophobicContact CG2-CB 4.39Å; T710-M714 PolarHBondContact N-O 3.36Å; T710-M714 PolarHBondContact OG1-N 2.83Å; T710-L716 HydrophobicContact CG2-CD1 3.87Å; T710-L716 HydrophobicContact CG2-CG 3.93Å
711	T	95.3	Very high	92.7	Very high	32 Å²	32	28 Å²	28	20%	0.196	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-15.5	175.2	57.3	0	0	0	0	114.5	S694 R696 N713	S694-T711 WeakPolarHBondContact CB-OG1 3.24Å; S694-T711 PolarHBondContact N-OG1 3.02Å; S694-T711 VanDerWaalsContact N-OG1 3.1Å; S694-T711 PolarHBondContact O-N 3.28Å; R696-T711 HydrophobicContact CB-CG2 4.34Å; T711-N713 VanDerWaalsContact C-N 3.25Å; T711-N713 PolarHBondContact O-N 2.79Å
712	K	95.1	Very high	92.4	Very high	37 Å²	37	28.7 Å²	28.7	16%	0.161	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	29	170.8	-74.4	-174.7	166.1	-179	0	112.1	E690 L691 T710 M714 F732	E690-K712 PolarHBondContact O-NZ 3.02Å; L691-K712 VanDerWaalsContact O-CD 3.25Å; L691-K712 WeakPolarHBondContact O-CD 3.43Å; T710-K712 VanDerWaalsContact C-N 3.26Å; T710-K712 PolarHBondContact O-N 3.14Å; T710-K712 PolarHBondContact OG1-N 2.73Å; K712-M714 PolarHBondContact O-N 2.95Å; K712-M714 VanDerWaalsContact O-N 3.08Å; K712-F732 HydrophobicContact CB-CD1 3.81Å; K712-F732 HydrophobicContact CB-CE1 4.15Å; K712-F732 HydrophobicContact CB-CG 4.22Å; K712-F732 HydrophobicContact CD-CD1 4.42Å; K712-F732 HydrophobicContact CD-CE1 3.89Å; K712-F732 HydrophobicContact CD-CZ 4.16Å; K712-F732 HydrophobicContact CG-CD1 3.9Å; K712-F732 HydrophobicContact CG-CD2 4.43Å; K712-F732 HydrophobicContact CG-CE1 3.8Å; K712-F732 HydrophobicContact CG-CE2 4.36Å; K712-F732 HydrophobicContact CG-CG 4.22Å; K712-F732 HydrophobicContact CG-CZ 4.06Å
713	N	96.6	Very high	92.4	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	20%	0.195	C	C	.	.	S	Bend	trans	56.9	23.6	175.7	-75.5	-1.1	0	0	0	115.7	Y415 G417 R418 T710 T711 H731 F732 T1041	Y415-N713 PolarHBondContact N-O 2.94Å; Y415-N713 WeakPolarHBondContact O-CA 3.42Å; Y415-N713 WeakPolarHBondContact O-CB 3.49Å; Y415-N713 PolarHBondContact O-OD1 3.26Å; Y415-N713 VanDerWaalsContact O-OD1 3.06Å; G417-N713 PolarHBondContact N-OD1 3.3Å; R418-N713 WeakPolarHBondContact CB-OD1 3.36Å; R418-N713 PolarHBondContact N-OD1 3.12Å; T710-N713 PolarHBondContact O-N 2.93Å; T711-N713 VanDerWaalsContact C-N 3.25Å; T711-N713 PolarHBondContact O-N 2.79Å; N713-H731 WeakPolarHBondContact CB-O 3.45Å; N713-H731 PolarHBondContact ND2-O 3.28Å; N713-F732 HydrophobicContact CB-CB 4.12Å; N713-T1041 WeakPolarHBondContact ND2-CB 3.02Å; N713-T1041 PolarHBondContact ND2-OG1 3.16Å; N713-T1041 VanDerWaalsContact ND2-OG1 3.07Å
714	M	95.6	Very high	92.7	Very high	10 Å²	10	31 Å²	31	5%	0.049	18%	0.177	C	C	.	.			trans	-95.6	151.2	174.4	-59.5	-173.3	-175.1	0	0	111.6	Y415 Y692 G709 T710 K712 L716 M728 F729	Y415-M714 WeakPolarHBondContact CD1-O 3.47Å; Y692-M714 HydrophobicContact CD1-SD 3.9Å; G709-M714 WeakPolarHBondContact CA-O 3.21Å; T710-M714 HydrophobicContact CG2-CB 4.39Å; T710-M714 PolarHBondContact N-O 3.36Å; T710-M714 PolarHBondContact OG1-N 2.83Å; K712-M714 PolarHBondContact O-N 2.95Å; K712-M714 VanDerWaalsContact O-N 3.08Å; M714-L716 HydrophobicContact CB-CD2 4.19Å; M714-M728 VanDerWaalsContact CA-O 3.29Å; M714-M728 WeakPolarHBondContact CA-O 3.29Å; M714-F729 HydrophobicContact CE-CD1 3.95Å; M714-F729 HydrophobicContact CE-CE1 4.22Å; M714-F729 HydrophobicContact SD-CD1 4.35Å; M714-F729 HydrophobicContact SD-CE1 4.49Å
715	I	97.2	Very high	93	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.3	160.1	-60.2	172.8	0	0	0	107.3	Y415 L424 L432 Y434 I707 I708 L727 M728	Y415-I715 HydrophobicContact CD1-CG1 3.84Å; Y415-I715 HydrophobicContact CD2-CD1 4.2Å; Y415-I715 HydrophobicContact CD2-CG1 4.25Å; Y415-I715 HydrophobicContact CG-CD1 3.95Å; Y415-I715 HydrophobicContact CG-CG1 3.64Å; L424-I715 HydrophobicContact CD1-CD1 3.87Å; L424-I715 HydrophobicContact CD2-CD1 4.4Å; L424-I715 HydrophobicContact CD2-CG1 4.14Å; L424-I715 HydrophobicContact CD2-CG2 4.1Å; L432-I715 HydrophobicContact CD1-CG2 4.49Å; Y434-I715 HydrophobicContact CD1-CD1 3.78Å; Y434-I715 HydrophobicContact CD2-CD1 4.18Å; Y434-I715 HydrophobicContact CE1-CD1 3.7Å; Y434-I715 HydrophobicContact CE2-CD1 4.1Å; Y434-I715 HydrophobicContact CG-CD1 4.02Å; I707-I715 HydrophobicContact CG2-CG2 3.7Å; I708-I715 WeakPolarHBondContact O-CA 3.18Å; I715-L727 HydrophobicContact CG2-CB 4.26Å; I715-L727 HydrophobicContact CG2-CD1 4.48Å; I715-L727 PolarHBondContact O-N 2.79Å; I715-M728 HydrophobicContact CB-CB 3.99Å; I715-M728 HydrophobicContact CD1-CB 4.31Å; I715-M728 HydrophobicContact CG1-CB 4.29Å; I715-M728 PolarHBondContact N-O 2.73Å; I715-M728 PolarHBondContact O-N 3.09Å; I715-M728 VanDerWaalsContact O-N 3.09Å
716	L	96	Very high	92.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	153.6	174.1	-42.9	176.6	0	0	0	110.1	L688 Y692 I707 I708 T710 M714 I724 S725 P726	L688-L716 HydrophobicContact CD1-CD1 3.94Å; L688-L716 HydrophobicContact CD2-CD1 3.88Å; Y692-L716 HydrophobicContact CD1-CD2 3.9Å; Y692-L716 HydrophobicContact CD2-CD1 3.66Å; Y692-L716 HydrophobicContact CD2-CD2 4.22Å; Y692-L716 HydrophobicContact CE1-CD2 4.18Å; Y692-L716 HydrophobicContact CE2-CD1 4.27Å; Y692-L716 HydrophobicContact CE2-CD2 4.48Å; Y692-L716 HydrophobicContact CG-CD1 3.9Å; Y692-L716 HydrophobicContact CG-CD2 3.91Å; I707-L716 WeakPolarHBondContact CA-O 3.47Å; I708-L716 HydrophobicContact CB-CB 4.33Å; I708-L716 PolarHBondContact N-O 2.79Å; I708-L716 PolarHBondContact O-N 2.73Å; T710-L716 HydrophobicContact CG2-CD1 3.87Å; T710-L716 HydrophobicContact CG2-CG 3.93Å; M714-L716 HydrophobicContact CB-CD2 4.19Å; L716-I724 HydrophobicContact CB-CG2 4.02Å; L716-I724 HydrophobicContact CD1-CG2 3.8Å; L716-I724 HydrophobicContact CG-CG2 4.47Å; L716-S725 CarbonylContact C-O 3.5Å; L716-S725 VanDerWaalsContact CA-O 3.31Å; L716-S725 WeakPolarHBondContact CA-O 3.41Å; L716-P726 HydrophobicContact CD2-CB 4.09Å
717	Q	95	Very high	92.8	Very high	53 Å²	53	27.4 Å²	27.4	25%	0.248	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	146.3	160.1	63.4	-175.8	-11	0	0	109.9	L705 L706 I707 I724 S725 L727	L705-Q717 HydrophobicContact CD1-CB 4.26Å; L706-Q717 CarbonylContact O-C 3.52Å; L706-Q717 WeakPolarHBondContact O-CA 3.37Å; I707-Q717 HydrophobicContact CD1-CB 3.75Å; Q717-I724 WeakPolarHBondContact O-CA 3.46Å; Q717-S725 VanDerWaalsContact CG-OG 3.24Å; Q717-S725 WeakPolarHBondContact CG-OG 3.13Å; Q717-S725 PolarHBondContact N-O 2.81Å; Q717-S725 PolarHBondContact NE2-OG 2.98Å; Q717-S725 VanDerWaalsContact NE2-OG 3.09Å; Q717-S725 PolarHBondContact O-N 3.47Å; Q717-L727 HydrophobicContact CB-CD1 3.83Å; Q717-L727 HydrophobicContact CB-CG 3.92Å; Q717-L727 HydrophobicContact CG-CD1 4.32Å; Q717-L727 HydrophobicContact CG-CD2 4.24Å; Q717-L727 HydrophobicContact CG-CG 3.89Å
718	A	94.2	Very high	92.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	114.9	166.7	0	0	0	0	0	108.8	L706 I708 M722 I724	L706-A718 HydrophobicContact CB-CB 4.37Å; L706-A718 PolarHBondContact N-O 3.35Å; L706-A718 PolarHBondContact O-N 3.28Å; I708-A718 HydrophobicContact CD1-CB 4.43Å; A718-M722 HydrophobicContact CB-CE 3.49Å; A718-M722 VanDerWaalsContact CB-CE 3.49Å; A718-M722 HydrophobicContact CB-SD 3.65Å; A718-I724 HydrophobicContact CB-CG1 3.93Å
719	G	87.5	Confident	92.3	Very high	16 Å²	16	29.4 Å²	29.4	17%	0.165	18%	0.176	C	C	.	.			trans	-70.8	179.5	177.3	0	0	0	0	0	112.9	G721 M722 E723	G719-G721 PolarHBondContact O-N 2.88Å; G719-G721 VanDerWaalsContact O-N 3.08Å; G719-M722 WeakPolarHBondContact O-CA 3.36Å; G719-M722 PolarHBondContact O-N 2.78Å; G719-E723 PolarHBondContact N-O 3.26Å
720	P	80.1	Confident	91.8	Very high	90 Å²	90	29.5 Å²	29.5	58%	0.584	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-32.5	-177.2	-27.7	35.4	0	0	0	114.8	E704 M722	E704-P720 HydrophobicContact CB-CG 4.39Å; P720-M722 PolarHBondContact O-N 3.39Å
721	G	81.9	Confident	91.8	Very high	60 Å²	60	29.5 Å²	29.5	62%	0.619	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	2.1	173.7	0	0	0	0	0	115.5	G719 E723	G719-G721 PolarHBondContact O-N 2.88Å; G719-G721 VanDerWaalsContact O-N 3.08Å; G721-E723 PolarHBondContact O-N 2.89Å
722	M	86.3	Confident	91.8	Very high	20 Å²	20	29.5 Å²	29.5	10%	0.099	17%	0.174	C	C	.	.			trans	54.2	34.6	-164.4	-66.7	-61.9	-62.2	0	0	114.1	L672 F674 E686 L706 A718 G719 P720 I724	L672-M722 HydrophobicContact CD1-CE 3.51Å; F674-M722 HydrophobicContact CZ-CE 4.12Å; F674-M722 HydrophobicContact CZ-SD 4.1Å; E686-M722 HydrophobicContact CB-CE 4.28Å; E686-M722 HydrophobicContact CG-CB 4.2Å; E686-M722 HydrophobicContact CG-CE 4Å; E686-M722 HydrophobicContact CG-CG 4Å; L706-M722 HydrophobicContact CD1-CE 4.21Å; L706-M722 HydrophobicContact CD1-SD 3.85Å; A718-M722 HydrophobicContact CB-CE 3.49Å; A718-M722 VanDerWaalsContact CB-CE 3.49Å; A718-M722 HydrophobicContact CB-SD 3.65Å; G719-M722 WeakPolarHBondContact O-CA 3.36Å; G719-M722 PolarHBondContact O-N 2.78Å; P720-M722 PolarHBondContact O-N 3.39Å; M722-I724 HydrophobicContact CE-CD1 4.12Å; M722-I724 HydrophobicContact CE-CG1 4.43Å; M722-I724 WeakPolarHBondContact O-CG1 3.19Å; M722-I724 PolarHBondContact O-N 3.01Å; M722-I724 VanDerWaalsContact O-N 3.12Å
723	E	89	Confident	91.8	Very high	127 Å²	127	30.9 Å²	30.9	59%	0.593	18%	0.181	S	C	*	.			trans	-70.8	102.6	164.9	-66.1	-171	-163.1	0	0	108.9	G719 G721	G719-E723 PolarHBondContact N-O 3.26Å; G721-E723 PolarHBondContact O-N 2.89Å
724	I	93.5	Very high	91.7	Very high	41 Å²	41	32.1 Å²	32.1	21%	0.21	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	118.6	-174	-47.1	-169.2	0	0	0	111.1	L688 Y692 L716 Q717 A718 M722	L688-I724 HydrophobicContact CD2-CD1 3.53Å; L688-I724 HydrophobicContact CD2-CG2 4.23Å; Y692-I724 HydrophobicContact CE2-CG2 4.04Å; Y692-I724 PolarHBondContact OH-O 2.85Å; L716-I724 HydrophobicContact CB-CG2 4.02Å; L716-I724 HydrophobicContact CD1-CG2 3.8Å; L716-I724 HydrophobicContact CG-CG2 4.47Å; Q717-I724 WeakPolarHBondContact O-CA 3.46Å; A718-I724 HydrophobicContact CB-CG1 3.93Å; M722-I724 HydrophobicContact CE-CD1 4.12Å; M722-I724 HydrophobicContact CE-CG1 4.43Å; M722-I724 WeakPolarHBondContact O-CG1 3.19Å; M722-I724 PolarHBondContact O-N 3.01Å; M722-I724 VanDerWaalsContact O-N 3.12Å
725	S	92.1	Very high	91.8	Very high	38 Å²	38	31.7 Å²	31.7	27%	0.266	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.1	177.5	53.6	0	0	0	0	112	L716 Q717	L716-S725 CarbonylContact C-O 3.5Å; L716-S725 VanDerWaalsContact CA-O 3.31Å; L716-S725 WeakPolarHBondContact CA-O 3.41Å; Q717-S725 VanDerWaalsContact CG-OG 3.24Å; Q717-S725 WeakPolarHBondContact CG-OG 3.13Å; Q717-S725 PolarHBondContact N-O 2.81Å; Q717-S725 PolarHBondContact NE2-OG 2.98Å; Q717-S725 VanDerWaalsContact NE2-OG 3.09Å; Q717-S725 PolarHBondContact O-N 3.47Å
726	P	92.1	Very high	91.8	Very high	39 Å²	39	34 Å²	34	25%	0.253	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	132.6	174.6	29.9	-32.7	0	0	0	111.2	L716 F729	L716-P726 HydrophobicContact CD2-CB 4.09Å; P726-F729 HydrophobicContact CB-CD2 4.32Å; P726-F729 HydrophobicContact CB-CE1 4.49Å; P726-F729 HydrophobicContact CB-CE2 3.73Å; P726-F729 HydrophobicContact CB-CZ 3.83Å; P726-F729 HydrophobicContact CG-CE1 4.43Å; P726-F729 HydrophobicContact CG-CE2 3.58Å; P726-F729 HydrophobicContact CG-CZ 3.47Å; P726-F729 VanDerWaalsContact CG-CZ 3.47Å
727	L	92.3	Very high	91.9	Very high	12 Å²	12	34 Å²	34	6%	0.063	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-28.3	168.1	-80.5	180	0	0	0	112.7	L432 I445 I707 I715 Q717	L432-L727 HydrophobicContact CD1-CD1 4.18Å; I445-L727 HydrophobicContact CD1-CD1 3.97Å; I445-L727 HydrophobicContact CG2-CD2 3.98Å; I707-L727 HydrophobicContact CD1-CD1 3.81Å; I715-L727 HydrophobicContact CG2-CB 4.26Å; I715-L727 HydrophobicContact CG2-CD1 4.48Å; I715-L727 PolarHBondContact O-N 2.79Å; Q717-L727 HydrophobicContact CB-CD1 3.83Å; Q717-L727 HydrophobicContact CB-CG 3.92Å; Q717-L727 HydrophobicContact CG-CD1 4.32Å; Q717-L727 HydrophobicContact CG-CD2 4.24Å; Q717-L727 HydrophobicContact CG-CG 3.89Å
728	M	93.1	Very high	92.1	Very high	2 Å²	2	32 Å²	32	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	132.3	178.2	-169.1	94.5	-47.5	0	0	110.3	W411 M714 I715	W411-M728 HydrophobicContact CZ2-CE 4.14Å; M714-M728 VanDerWaalsContact CA-O 3.29Å; M714-M728 WeakPolarHBondContact CA-O 3.29Å; I715-M728 HydrophobicContact CB-CB 3.99Å; I715-M728 HydrophobicContact CD1-CB 4.31Å; I715-M728 HydrophobicContact CG1-CB 4.29Å; I715-M728 PolarHBondContact N-O 2.73Å; I715-M728 PolarHBondContact O-N 3.09Å; I715-M728 VanDerWaalsContact O-N 3.09Å
729	F	90.5	Very high	92.3	Very high	39 Å²	39	32.5 Å²	32.5	17%	0.171	19%	0.189	C	C	.	.			trans	-99.7	158.2	167.9	-69.9	-97.4	0	0	0	110.4	G414 M714 P726 W759 A766	G414-F729 WeakPolarHBondContact CA-O 3.49Å; G414-F729 PolarHBondContact N-O 3.27Å; M714-F729 HydrophobicContact CE-CD1 3.95Å; M714-F729 HydrophobicContact CE-CE1 4.22Å; M714-F729 HydrophobicContact SD-CD1 4.35Å; M714-F729 HydrophobicContact SD-CE1 4.49Å; P726-F729 HydrophobicContact CB-CD2 4.32Å; P726-F729 HydrophobicContact CB-CE1 4.49Å; P726-F729 HydrophobicContact CB-CE2 3.73Å; P726-F729 HydrophobicContact CB-CZ 3.83Å; P726-F729 HydrophobicContact CG-CE1 4.43Å; P726-F729 HydrophobicContact CG-CE2 3.58Å; P726-F729 HydrophobicContact CG-CZ 3.47Å; P726-F729 VanDerWaalsContact CG-CZ 3.47Å; F729-W759 HydrophobicContact CB-CH2 3.74Å; F729-W759 HydrophobicContact CB-CZ3 3.86Å; F729-A766 HydrophobicContact CB-CB 4.43Å; F729-A766 HydrophobicContact CD2-CB 3.74Å; F729-A766 HydrophobicContact CE2-CB 4.08Å; F729-A766 HydrophobicContact CG-CB 4.05Å
730	G	87.8	Confident	92.7	Very high	2 Å²	2	34.7 Å²	34.7	2%	0.021	19%	0.194	C	C	.	.			trans	-160.6	162.2	169.5	0	0	0	0	0	110.8
731	H	96.1	Very high	93.5	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.171	C	C	.	.			trans	-70.1	154.9	163.2	-79.2	-74.2	0	0	0	109.8	N713 F735 T749 D753 T1041	N713-H731 WeakPolarHBondContact CB-O 3.45Å; N713-H731 PolarHBondContact ND2-O 3.28Å; H731-F735 HydrophobicContact CB-CD1 3.93Å; H731-F735 HydrophobicContact CB-CE1 4.3Å; H731-F735 HydrophobicContact CB-CG 4.18Å; H731-F735 AromaticContact CD2-CD2 3.52Å; H731-F735 AromaticContact CD2-CE2 3.72Å; H731-F735 AromaticContact CD2-CG 3.81Å; H731-F735 AromaticContact CG-CG 3.91Å; H731-F735 AromaticContact NE2-CD2 3.92Å; H731-T749 WeakPolarHBondContact NE2-CB 3.41Å; H731-T749 PolarHBondContact NE2-OG1 3.19Å; H731-D753 WeakPolarHBondContact CA-OD2 3.42Å; H731-D753 VanDerWaalsContact CB-OD2 3.25Å; H731-D753 WeakPolarHBondContact CB-OD2 3.46Å; H731-D753 IonicContact CE1-OD1 2.73Å; H731-D753 IonicContact CG-OD2 3.8Å; H731-D753 VanDerWaalsContact ND1-CG 3.3Å; H731-D753 IonicContact ND1-OD1 3.6Å; H731-D753 PolarHBondContact ND1-OD1 2.83Å; H731-D753 IonicContact ND1-OD2 2.71Å; H731-D753 PolarHBondContact ND1-OD2 2.89Å; H731-T1041 WeakPolarHBondContact O-CB 3.32Å
732	F	95	Very high	94	Very high	31 Å²	31	30.8 Å²	30.8	14%	0.136	16%	0.155	C	C	.	.	S	Bend	trans	-126.4	9.7	178.2	66.8	-93.3	0	0	0	114.2	R418 K712 N713 D753 L755	R418-F732 WeakPolarHBondContact CD-O 3.38Å; R418-F732 PolarHBondContact NH1-O 2.93Å; K712-F732 HydrophobicContact CB-CD1 3.81Å; K712-F732 HydrophobicContact CB-CE1 4.15Å; K712-F732 HydrophobicContact CB-CG 4.22Å; K712-F732 HydrophobicContact CD-CD1 4.42Å; K712-F732 HydrophobicContact CD-CE1 3.89Å; K712-F732 HydrophobicContact CD-CZ 4.16Å; K712-F732 HydrophobicContact CG-CD1 3.9Å; K712-F732 HydrophobicContact CG-CD2 4.43Å; K712-F732 HydrophobicContact CG-CE1 3.8Å; K712-F732 HydrophobicContact CG-CE2 4.36Å; K712-F732 HydrophobicContact CG-CG 4.22Å; K712-F732 HydrophobicContact CG-CZ 4.06Å; N713-F732 HydrophobicContact CB-CB 4.12Å; F732-D753 HydrophobicContact CD1-CB 3.95Å; F732-D753 HydrophobicContact CD2-CB 4.03Å; F732-D753 HydrophobicContact CE1-CB 3.73Å; F732-D753 HydrophobicContact CE2-CB 3.8Å; F732-D753 HydrophobicContact CG-CB 4.08Å; F732-D753 HydrophobicContact CZ-CB 3.65Å; F732-D753 PolarHBondContact N-OD2 3.33Å; F732-L755 HydrophobicContact CD1-CD1 4.22Å; F732-L755 HydrophobicContact CE1-CD1 3.88Å; F732-L755 HydrophobicContact CE1-CG 4.3Å
733	E	95.8	Very high	94.3	Very high	66 Å²	66	35.7 Å²	35.7	31%	0.308	18%	0.178	S	C	.	.	S	Bend	trans	-135.8	175.5	166	-70.4	-72.8	-177.1	0	0	110	R418 F735 R752 D753	R418-E733 VanDerWaalsContact CZ-CD 3.44Å; R418-E733 IonicContact CZ-OE1 3.47Å; R418-E733 IonicContact CZ-OE2 2.79Å; R418-E733 IonicContact NH1-OE1 2.85Å; R418-E733 PolarHBondContact NH1-OE1 2.78Å; R418-E733 IonicContact NH1-OE2 2.81Å; R418-E733 PolarHBondContact NH1-OE2 3.38Å; R418-E733 VanDerWaalsContact NH2-CD 3.26Å; R418-E733 IonicContact NH2-OE1 3.24Å; R418-E733 PolarHBondContact NH2-OE1 3.08Å; R418-E733 IonicContact NH2-OE2 3.59Å; R418-E733 PolarHBondContact NH2-OE2 3.36Å; E733-F735 PolarHBondContact O-N 2.84Å; E733-R752 HydrophobicContact CB-CB 4Å; E733-D753 HydrophobicContact CB-CB 3.85Å; E733-D753 HydrophobicContact CG-CB 3.88Å
734	E	95.2	Very high	94.5	Very high	27 Å²	27	30.8 Å²	30.8	13%	0.126	16%	0.159	C	C	.	.			trans	-57.9	131.6	171.5	-171.8	-175.6	139.2	0	0	112.2	W736 R752 K1039	E734-W736 PolarHBondContact OE1-NE1 3.22Å; E734-R752 VanDerWaalsContact CD-CZ 3.47Å; E734-R752 VanDerWaalsContact CD-NH2 3.28Å; E734-R752 WeakPolarHBondContact O-CB 3.28Å; E734-R752 WeakPolarHBondContact O-CG 3.16Å; E734-R752 PolarHBondContact O-N 3.35Å; E734-R752 IonicContact OE1-CZ 3.02Å; E734-R752 IonicContact OE1-NH1 3.46Å; E734-R752 PolarHBondContact OE1-NH1 3.01Å; E734-R752 IonicContact OE1-NH2 3.02Å; E734-R752 PolarHBondContact OE1-NH2 2.76Å; E734-R752 IonicContact OE2-CZ 3.36Å; E734-R752 IonicContact OE2-NH1 2.73Å; E734-R752 PolarHBondContact OE2-NH1 3.05Å; E734-R752 IonicContact OE2-NH2 3.78Å; E734-K1039 HydrophobicContact CB-CG 4.02Å; E734-K1039 HydrophobicContact CG-CG 3.69Å; E734-K1039 WeakPolarHBondContact OE2-CE 3.12Å; E734-K1039 WeakPolarHBondContact OE2-CG 3.34Å
735	F	96.8	Very high	94.7	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	145.8	-176.3	77.7	-71.6	0	0	0	113.1	H731 E733 T749 G751 T1022 T1036 G1038 A1042 V1043	H731-F735 HydrophobicContact CB-CD1 3.93Å; H731-F735 HydrophobicContact CB-CE1 4.3Å; H731-F735 HydrophobicContact CB-CG 4.18Å; H731-F735 AromaticContact CD2-CD2 3.52Å; H731-F735 AromaticContact CD2-CE2 3.72Å; H731-F735 AromaticContact CD2-CG 3.81Å; H731-F735 AromaticContact CG-CG 3.91Å; H731-F735 AromaticContact NE2-CD2 3.92Å; E733-F735 PolarHBondContact O-N 2.84Å; F735-T749 HydrophobicContact CE2-CG2 4.25Å; F735-G751 VanDerWaalsContact CB-CA 3.44Å; F735-T1022 PolarHBondContact O-OG1 3.03Å; F735-T1036 HydrophobicContact CD2-CG2 4.31Å; F735-T1036 HydrophobicContact CE2-CG2 3.39Å; F735-T1036 HydrophobicContact CZ-CG2 3.85Å; F735-G1038 WeakPolarHBondContact CD1-O 3.29Å; F735-G1038 WeakPolarHBondContact O-CA 3.46Å; F735-A1042 WeakPolarHBondContact CZ-O 3.45Å; F735-V1043 HydrophobicContact CE2-CG2 3.79Å; F735-V1043 HydrophobicContact CZ-CG2 3.62Å
736	W	97.2	Very high	94.9	Very high	49 Å²	49	30.9 Å²	30.9	19%	0.186	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	-20.6	-171.9	-73.9	76.9	0	0	0	113	E734 L738 H777 N977 T1022 N1023	E734-W736 PolarHBondContact OE1-NE1 3.22Å; W736-L738 PolarHBondContact O-N 2.92Å; W736-H777 CarbonylContact C-O 3.54Å; W736-H777 VanDerWaalsContact C-O 3.3Å; W736-H777 VanDerWaalsContact CB-NE2 3.31Å; W736-H777 WeakPolarHBondContact CB-NE2 3.34Å; W736-H777 AromaticContact CD1-CE1 3.54Å; W736-H777 AromaticContact CD1-NE2 3.3Å; W736-H777 VanDerWaalsContact CD1-NE2 3.3Å; W736-H777 AromaticContact CD2-NE2 2.86Å; W736-H777 AromaticContact CE2-NE2 3.41Å; W736-H777 AromaticContact CE3-NE2 3.38Å; W736-H777 AromaticContact CG-CE1 3.58Å; W736-H777 AromaticContact CG-ND1 3.78Å; W736-H777 AromaticContact CG-NE2 2.83Å; W736-H777 AromaticContact NE1-NE2 3.59Å; W736-N977 HydrophobicContact CZ3-CB 4.35Å; W736-T1022 HydrophobicContact CD2-CG2 3.54Å; W736-T1022 VanDerWaalsContact CE2-CG2 3.43Å; W736-T1022 HydrophobicContact CE3-CG2 3.84Å; W736-T1022 HydrophobicContact CG-CG2 4.07Å; W736-T1022 HydrophobicContact CH2-CG2 3.93Å; W736-T1022 HydrophobicContact CZ2-CG2 3.65Å; W736-T1022 HydrophobicContact CZ3-CG2 4.02Å; W736-N1023 PolarHBondContact O-ND2 3.49Å
737	S	98.3	Very high	95.2	Very high	1 Å²	1	29 Å²	29	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124.6	-177.5	-169.2	0	0	0	0	110.1	T749 G750 H777 C778 A779	S737-T749 VanDerWaalsContact O-CA 3.22Å; S737-T749 WeakPolarHBondContact O-CA 3.31Å; S737-G750 WeakPolarHBondContact CB-O 3.33Å; S737-G750 PolarHBondContact N-O 2.94Å; S737-G750 VanDerWaalsContact N-O 3.14Å; S737-G750 PolarHBondContact O-N 2.9Å; S737-G750 VanDerWaalsContact O-N 3.14Å; S737-H777 VanDerWaalsContact CA-O 3.26Å; S737-H777 WeakPolarHBondContact CA-O 3.37Å; S737-H777 WeakPolarHBondContact CB-O 3.45Å; S737-H777 PolarHBondContact N-O 2.9Å; S737-C778 WeakPolarHBondContact OG-CA 3.39Å; S737-C778 PolarHBondContact OG-O 2.9Å; S737-A779 WeakPolarHBondContact OG-CB 3.1Å; S737-A779 PolarHBondContact OG-N 2.83Å; S737-A779 VanDerWaalsContact OG-N 3.15Å
738	L	98.6	Very high	95.5	Very high	11 Å²	11	28.5 Å²	28.5	6%	0.058	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	127.6	174	176.4	66.4	0	0	0	107.7	W736 F747 I748 T749 N1023 T1025 I1034 T1036	W736-L738 PolarHBondContact O-N 2.92Å; L738-F747 HydrophobicContact CD1-CD2 4Å; L738-I748 WeakPolarHBondContact CA-O 3.35Å; L738-T749 HydrophobicContact CD1-CG2 3.95Å; L738-N1023 HydrophobicContact CB-CB 3.93Å; L738-N1023 HydrophobicContact CD2-CB 3.98Å; L738-T1025 HydrophobicContact CD1-CG2 4.42Å; L738-T1025 HydrophobicContact CD2-CG2 3.79Å; L738-T1025 HydrophobicContact CG-CG2 3.9Å; L738-I1034 HydrophobicContact CD1-CB 4.37Å; L738-I1034 HydrophobicContact CD1-CG2 3.76Å; L738-I1034 HydrophobicContact CD2-CB 4.5Å; L738-I1034 HydrophobicContact CD2-CG2 4.35Å; L738-T1036 HydrophobicContact CB-CG2 4.22Å; L738-T1036 HydrophobicContact CD1-CG2 4.2Å; L738-T1036 HydrophobicContact CD2-CG2 4.15Å; L738-T1036 HydrophobicContact CG-CG2 4.42Å
739	A	98.4	Very high	95.7	Very high	10 Å²	10	28.4 Å²	28.4	8%	0.083	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	141.3	169.2	0	0	0	0	0	111.9	F747 I748 A779 F781	A739-F747 CarbonylContact O-C 3.52Å; A739-F747 VanDerWaalsContact O-CA 3.28Å; A739-F747 WeakPolarHBondContact O-CA 3.45Å; A739-F747 WeakPolarHBondContact O-CB 3.31Å; A739-I748 HydrophobicContact CB-CG2 3.89Å; A739-I748 PolarHBondContact N-O 3.04Å; A739-I748 PolarHBondContact O-N 3.09Å; A739-A779 HydrophobicContact CB-CB 4.24Å; A739-F781 HydrophobicContact CB-CD2 4.12Å; A739-F781 HydrophobicContact CB-CE2 4.36Å
740	K	96.8	Very high	96.1	Very high	61 Å²	61	26.6 Å²	26.6	27%	0.265	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	137.9	177.4	56.6	-169.8	167.5	-163.1	0	112.1	F781 D980 T1025 F1026	K740-F781 WeakPolarHBondContact O-CD2 3.07Å; K740-D980 IonicContact NZ-OD1 3.67Å; K740-D980 PolarHBondContact NZ-OD1 2.9Å; K740-D980 IonicContact NZ-OD2 3.7Å; K740-D980 PolarHBondContact NZ-OD2 3Å; K740-T1025 HydrophobicContact CB-CG2 4.13Å; K740-T1025 HydrophobicContact CD-CG2 4.46Å; K740-T1025 WeakPolarHBondContact CD-OG1 3.42Å; K740-T1025 WeakPolarHBondContact CE-OG1 3.15Å; K740-T1025 PolarHBondContact NZ-OG1 3.26Å; K740-F1026 WeakPolarHBondContact CD-O 3.29Å; K740-F1026 WeakPolarHBondContact CE-O 3.3Å; K740-F1026 PolarHBondContact NZ-O 3.1Å
741	H	96.2	Very high	96.5	Very high	25 Å²	25	26.5 Å²	26.5	12%	0.116	13%	0.13	C	C	.	.			trans	-66	136	170.2	-175.2	-91.6	0	0	0	109.8	Q743 A744 Q746 F781 L830	H741-Q743 VanDerWaalsContact C-N 3.31Å; H741-Q743 PolarHBondContact ND1-N 2.85Å; H741-Q743 PolarHBondContact O-N 3.12Å; H741-A744 VanDerWaalsContact ND1-CB 3.28Å; H741-A744 WeakPolarHBondContact ND1-CB 3.45Å; H741-A744 PolarHBondContact ND1-N 2.77Å; H741-Q746 HydrophobicContact CB-CB 3.73Å; H741-Q746 WeakPolarHBondContact CB-O 3.42Å; H741-Q746 PolarHBondContact N-O 3.22Å; H741-F781 HydrophobicContact CB-CE2 4.43Å; H741-L830 WeakPolarHBondContact NE2-CD1 3.45Å
742	P	93.2	Very high	96.5	Very high	44 Å²	44	31.4 Å²	31.4	29%	0.286	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-14.6	-168.2	27.9	-35.9	0	0	0	115.1	F781 P784	P742-F781 HydrophobicContact CG-CB 4.47Å; P742-P784 HydrophobicContact CB-CG 4.35Å
743	Q	92.1	Very high	96.5	Very high	122 Å²	122	30.2 Å²	30.2	57%	0.57	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-141	13.3	-172.3	-59.6	-172.9	-59.1	0	0	114.6	H741 P784	H741-Q743 VanDerWaalsContact C-N 3.31Å; H741-Q743 PolarHBondContact ND1-N 2.85Å; H741-Q743 PolarHBondContact O-N 3.12Å; Q743-P784 HydrophobicContact CG-CB 4.26Å; Q743-P784 HydrophobicContact CG-CG 3.83Å
744	A	94.1	Very high	96.5	Very high	25 Å²	25	30.4 Å²	30.4	21%	0.207	15%	0.145	C	C	.	.	S	Bend	trans	-156.2	162.6	-177.1	0	0	0	0	0	110.9	H741 Q746 Y1028	H741-A744 VanDerWaalsContact ND1-CB 3.28Å; H741-A744 WeakPolarHBondContact ND1-CB 3.45Å; H741-A744 PolarHBondContact ND1-N 2.77Å; A744-Q746 PolarHBondContact O-N 3.3Å; A744-Y1028 VanDerWaalsContact CA-CE1 3.46Å; A744-Y1028 WeakPolarHBondContact O-CD1 3.45Å
745	H	96.3	Very high	96.5	Very high	34 Å²	34	29.6 Å²	29.6	16%	0.157	14%	0.141	C	C	.	.	S	Bend	trans	-73	47.3	178.5	-60.1	92.5	0	0	0	113.2	S761 L762 L1027 Y1028 D1029	H745-S761 WeakPolarHBondContact O-CA 3.49Å; H745-S761 WeakPolarHBondContact O-CB 3.3Å; H745-S761 PolarHBondContact O-N 3.05Å; H745-L762 HydrophobicContact CB-CD1 4.1Å; H745-L762 HydrophobicContact CB-CD2 4.1Å; H745-L762 HydrophobicContact CB-CG 3.68Å; H745-L1027 HydrophobicContact CB-CD1 4.45Å; H745-Y1028 AromaticContact CD2-CE1 3.83Å; H745-Y1028 AromaticContact CE1-CE1 3.64Å; H745-Y1028 AromaticContact CE1-CZ 3.81Å; H745-Y1028 PolarHBondContact CE1-OH 3.28Å; H745-Y1028 AromaticContact CG-CE1 3.86Å; H745-Y1028 AromaticContact ND1-CE1 3.75Å; H745-Y1028 AromaticContact NE2-CE1 3.68Å; H745-D1029 IonicContact CD2-OD1 2.95Å; H745-D1029 IonicContact CD2-OD2 3.33Å; H745-D1029 IonicContact CE1-OD2 2.77Å; H745-D1029 IonicContact NE2-OD1 2.86Å; H745-D1029 IonicContact NE2-OD2 3.9Å; H745-D1029 PolarHBondContact NE2-OD2 3.17Å
746	Q	97.3	Very high	96.6	Very high	46 Å²	46	29.6 Å²	29.6	22%	0.215	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	153.9	-179.1	-66.2	176.5	10.4	0	0	110.4	H741 A744 W759 I767	H741-Q746 HydrophobicContact CB-CB 3.73Å; H741-Q746 WeakPolarHBondContact CB-O 3.42Å; H741-Q746 PolarHBondContact N-O 3.22Å; A744-Q746 PolarHBondContact O-N 3.3Å; Q746-W759 VanDerWaalsContact CA-O 3.24Å; Q746-W759 WeakPolarHBondContact CA-O 3.44Å; Q746-W759 WeakPolarHBondContact CB-O 3.41Å; Q746-I767 HydrophobicContact CG-CD1 3.91Å
747	F	98.1	Very high	96.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	156.9	174	62.1	-87.9	0	0	0	109.9	Y413 L738 A739 T749 W759 L1027 I1034 V1043	Y413-F747 HydrophobicContact CD2-CZ 4.32Å; Y413-F747 HydrophobicContact CE2-CE1 4.3Å; Y413-F747 AromaticContact CE2-CZ 3.71Å; Y413-F747 HydrophobicContact CE2-CZ 3.71Å; Y413-F747 AromaticContact CZ-CZ 3.89Å; L738-F747 HydrophobicContact CD1-CD2 4Å; A739-F747 CarbonylContact O-C 3.52Å; A739-F747 VanDerWaalsContact O-CA 3.28Å; A739-F747 WeakPolarHBondContact O-CA 3.45Å; A739-F747 WeakPolarHBondContact O-CB 3.31Å; F747-T749 HydrophobicContact CD2-CG2 4.13Å; F747-T749 HydrophobicContact CE2-CG2 4.19Å; F747-W759 HydrophobicContact CD1-CB 4.19Å; F747-W759 HydrophobicContact CD2-CB 4.09Å; F747-W759 AromaticContact CD2-CD1 3.57Å; F747-W759 HydrophobicContact CD2-CG 4.08Å; F747-W759 HydrophobicContact CE1-CB 3.79Å; F747-W759 HydrophobicContact CE1-CG 4.47Å; F747-W759 HydrophobicContact CE2-CB 3.67Å; F747-W759 AromaticContact CE2-CD1 3.23Å; F747-W759 HydrophobicContact CE2-CD2 4.33Å; F747-W759 AromaticContact CE2-CG 3.49Å; F747-W759 HydrophobicContact CE2-CG 3.49Å; F747-W759 VanDerWaalsContact CE2-CG 3.49Å; F747-W759 AromaticContact CE2-NE1 3.9Å; F747-W759 HydrophobicContact CG-CB 4.34Å; F747-W759 HydrophobicContact CZ-CB 3.5Å; F747-W759 AromaticContact CZ-CD1 3.96Å; F747-W759 HydrophobicContact CZ-CD2 4.48Å; F747-W759 AromaticContact CZ-CG 3.72Å; F747-W759 HydrophobicContact CZ-CG 3.72Å; F747-W759 PolarHBondContact N-O 2.97Å; F747-W759 VanDerWaalsContact N-O 3.16Å; F747-W759 PolarHBondContact O-N 3.16Å; F747-L1027 HydrophobicContact CB-CD2 4.29Å; F747-L1027 HydrophobicContact CD1-CD2 4.26Å; F747-I1034 HydrophobicContact CD1-CD1 3.83Å; F747-I1034 HydrophobicContact CD1-CG1 3.82Å; F747-I1034 HydrophobicContact CD2-CG2 4.06Å; F747-I1034 HydrophobicContact CE1-CD1 3.57Å; F747-I1034 HydrophobicContact CE1-CG1 4.04Å; F747-I1034 HydrophobicContact CE2-CG2 3.95Å; F747-I1034 HydrophobicContact CG-CG1 4.1Å; F747-I1034 HydrophobicContact CG-CG2 4.44Å; F747-I1034 HydrophobicContact CZ-CD1 4.08Å; F747-I1034 HydrophobicContact CZ-CG1 4.5Å; F747-I1034 HydrophobicContact CZ-CG2 4.21Å; F747-V1043 HydrophobicContact CE2-CG1 3.95Å; F747-V1043 HydrophobicContact CZ-CG1 4.28Å
748	I	98.2	Very high	96.5	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	140	-179.4	-158.8	174.4	0	0	0	109.5	L738 A739 V756 I757 L758 W768 A779 F781 V832	L738-I748 WeakPolarHBondContact CA-O 3.35Å; A739-I748 HydrophobicContact CB-CG2 3.89Å; A739-I748 PolarHBondContact N-O 3.04Å; A739-I748 PolarHBondContact O-N 3.09Å; I748-V756 HydrophobicContact CD1-CG1 3.52Å; I748-V756 HydrophobicContact CG1-CG1 3.66Å; I748-I757 CarbonylContact C-O 3.48Å; I748-I757 VanDerWaalsContact CA-O 3.32Å; I748-I757 WeakPolarHBondContact CA-O 3.48Å; I748-I757 WeakPolarHBondContact CG1-O 3.25Å; I748-L758 HydrophobicContact CB-CD1 4.11Å; I748-L758 HydrophobicContact CG1-CD1 4.36Å; I748-W768 HydrophobicContact CD1-CH2 4.01Å; I748-W768 HydrophobicContact CD1-CZ2 4.47Å; I748-A779 HydrophobicContact CG2-CB 4.37Å; I748-F781 HydrophobicContact CB-CE2 3.98Å; I748-F781 HydrophobicContact CB-CZ 3.87Å; I748-F781 HydrophobicContact CD1-CZ 4.4Å; I748-F781 HydrophobicContact CG2-CD2 4.42Å; I748-F781 HydrophobicContact CG2-CE2 3.55Å; I748-F781 HydrophobicContact CG2-CZ 3.84Å; I748-V832 HydrophobicContact CD1-CG1 4.05Å; I748-V832 HydrophobicContact CD1-CG2 4.24Å; I748-V832 HydrophobicContact CG2-CG2 4.32Å
749	T	98.6	Very high	96.4	Very high	1 Å²	1	27 Å²	27	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	158.2	173.2	61.5	0	0	0	0	111.5	H731 F735 S737 L738 F747 V756 I757 W759 T1036 V1043	H731-T749 WeakPolarHBondContact NE2-CB 3.41Å; H731-T749 PolarHBondContact NE2-OG1 3.19Å; F735-T749 HydrophobicContact CE2-CG2 4.25Å; S737-T749 VanDerWaalsContact O-CA 3.22Å; S737-T749 WeakPolarHBondContact O-CA 3.31Å; L738-T749 HydrophobicContact CD1-CG2 3.95Å; F747-T749 HydrophobicContact CD2-CG2 4.13Å; F747-T749 HydrophobicContact CE2-CG2 4.19Å; T749-V756 VanDerWaalsContact O-CA 3.31Å; T749-V756 WeakPolarHBondContact O-CA 3.42Å; T749-I757 PolarHBondContact N-O 3.47Å; T749-I757 PolarHBondContact O-N 2.86Å; T749-W759 PolarHBondContact OG1-NE1 3.32Å; T749-T1036 HydrophobicContact CG2-CG2 4.41Å; T749-V1043 HydrophobicContact CG2-CG2 4.22Å
750	G	97.6	Very high	96.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	148.8	176	0	0	0	0	0	113.7	S737 L755 I776	S737-G750 WeakPolarHBondContact CB-O 3.33Å; S737-G750 PolarHBondContact N-O 2.94Å; S737-G750 VanDerWaalsContact N-O 3.14Å; S737-G750 PolarHBondContact O-N 2.9Å; S737-G750 VanDerWaalsContact O-N 3.14Å; G750-L755 VanDerWaalsContact CA-O 3.26Å; G750-L755 WeakPolarHBondContact CA-O 2.82Å; G750-I776 CarbonylContact C-O 3.55Å
751	G	96.7	Very high	96.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	-170.3	-169	0	0	0	0	0	117	F735 D753 H754 L755 I776	F735-G751 VanDerWaalsContact CB-CA 3.44Å; G751-D753 PolarHBondContact O-N 3.49Å; G751-H754 PolarHBondContact O-N 3.17Å; G751-L755 PolarHBondContact N-O 2.87Å; G751-I776 CarbonylContact C-O 3.57Å; G751-I776 WeakPolarHBondContact CA-O 3.43Å; G751-I776 PolarHBondContact N-O 2.97Å; G751-I776 PolarHBondContact O-N 3.33Å; G751-I776 VanDerWaalsContact O-N 3.14Å
752	R	96.8	Very high	96.3	Very high	104 Å²	104	28 Å²	28	39%	0.392	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-5.7	175.7	-64.8	-167.9	-165.2	127.3	18.1	114.4	E733 E734 H754 A775	E733-R752 HydrophobicContact CB-CB 4Å; E734-R752 VanDerWaalsContact CD-CZ 3.47Å; E734-R752 VanDerWaalsContact CD-NH2 3.28Å; E734-R752 WeakPolarHBondContact O-CB 3.28Å; E734-R752 WeakPolarHBondContact O-CG 3.16Å; E734-R752 PolarHBondContact O-N 3.35Å; E734-R752 IonicContact OE1-CZ 3.02Å; E734-R752 IonicContact OE1-NH1 3.46Å; E734-R752 PolarHBondContact OE1-NH1 3.01Å; E734-R752 IonicContact OE1-NH2 3.02Å; E734-R752 PolarHBondContact OE1-NH2 2.76Å; E734-R752 IonicContact OE2-CZ 3.36Å; E734-R752 IonicContact OE2-NH1 2.73Å; E734-R752 PolarHBondContact OE2-NH1 3.05Å; E734-R752 IonicContact OE2-NH2 3.78Å; R752-H754 PolarHBondContact O-CD2 3.05Å; R752-H754 PolarHBondContact O-N 3.17Å; R752-A775 HydrophobicContact CB-CB 4.42Å; R752-A775 HydrophobicContact CG-CB 4.25Å
753	D	94.9	Very high	96.3	Very high	6 Å²	6	28.9 Å²	28.9	3%	0.032	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	8.2	168.4	54.8	7	0	0	0	112.3	H731 F732 E733 G751 L755	H731-D753 WeakPolarHBondContact CA-OD2 3.42Å; H731-D753 VanDerWaalsContact CB-OD2 3.25Å; H731-D753 WeakPolarHBondContact CB-OD2 3.46Å; H731-D753 IonicContact CE1-OD1 2.73Å; H731-D753 IonicContact CG-OD2 3.8Å; H731-D753 VanDerWaalsContact ND1-CG 3.3Å; H731-D753 IonicContact ND1-OD1 3.6Å; H731-D753 PolarHBondContact ND1-OD1 2.83Å; H731-D753 IonicContact ND1-OD2 2.71Å; H731-D753 PolarHBondContact ND1-OD2 2.89Å; F732-D753 HydrophobicContact CD1-CB 3.95Å; F732-D753 HydrophobicContact CD2-CB 4.03Å; F732-D753 HydrophobicContact CE1-CB 3.73Å; F732-D753 HydrophobicContact CE2-CB 3.8Å; F732-D753 HydrophobicContact CG-CB 4.08Å; F732-D753 HydrophobicContact CZ-CB 3.65Å; F732-D753 PolarHBondContact N-OD2 3.33Å; E733-D753 HydrophobicContact CB-CB 3.85Å; E733-D753 HydrophobicContact CG-CB 3.88Å; G751-D753 PolarHBondContact O-N 3.49Å; D753-L755 PolarHBondContact O-N 3Å; D753-L755 PolarHBondContact OD1-N 2.89Å
754	H	95.8	Very high	96.4	Very high	70 Å²	70	24 Å²	24	32%	0.324	12%	0.122	S	C	.	.	S	Bend	trans	62.5	5.1	-179	-58.4	-107.1	0	0	0	114.4	G751 R752 E771 F772 T773	G751-H754 PolarHBondContact O-N 3.17Å; R752-H754 PolarHBondContact O-CD2 3.05Å; R752-H754 PolarHBondContact O-N 3.17Å; H754-E771 HydrophobicContact CB-CG 4.21Å; H754-E771 CarbonylContact O-C 3.59Å; H754-E771 WeakPolarHBondContact O-CA 3.4Å; H754-F772 WeakPolarHBondContact CB-O 3.48Å; H754-F772 PolarHBondContact ND1-O 2.73Å; H754-F772 PolarHBondContact O-N 3.06Å; H754-T773 PolarHBondContact CE1-O 3.26Å; H754-T773 PolarHBondContact ND1-O 3.14Å
755	L	95.6	Very high	96.3	Very high	11 Å²	11	25.5 Å²	25.5	6%	0.058	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	142.7	176.5	-62.5	-175.2	0	0	0	110.9	F732 G750 G751 D753 I757 E771	F732-L755 HydrophobicContact CD1-CD1 4.22Å; F732-L755 HydrophobicContact CE1-CD1 3.88Å; F732-L755 HydrophobicContact CE1-CG 4.3Å; G750-L755 VanDerWaalsContact CA-O 3.26Å; G750-L755 WeakPolarHBondContact CA-O 2.82Å; G751-L755 PolarHBondContact N-O 2.87Å; D753-L755 PolarHBondContact O-N 3Å; D753-L755 PolarHBondContact OD1-N 2.89Å; L755-I757 HydrophobicContact CB-CG1 4.27Å; L755-I757 HydrophobicContact CD1-CD1 4.31Å; L755-E771 HydrophobicContact CD2-CB 4.15Å; L755-E771 HydrophobicContact CD2-CG 4.35Å
756	V	97	Very high	96.2	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.9	158	-179.6	0	0	0	0	107.3	I748 T749 W768 S769 K770 F772 I776 L834	I748-V756 HydrophobicContact CD1-CG1 3.52Å; I748-V756 HydrophobicContact CG1-CG1 3.66Å; T749-V756 VanDerWaalsContact O-CA 3.31Å; T749-V756 WeakPolarHBondContact O-CA 3.42Å; V756-W768 HydrophobicContact CB-CZ3 4.3Å; V756-W768 HydrophobicContact CG1-CH2 3.99Å; V756-W768 HydrophobicContact CG1-CZ3 3.99Å; V756-W768 WeakPolarHBondContact O-CZ3 3.46Å; V756-S769 CarbonylContact O-C 3.58Å; V756-S769 WeakPolarHBondContact O-CA 3.4Å; V756-K770 PolarHBondContact N-O 2.71Å; V756-K770 PolarHBondContact O-N 2.81Å; V756-F772 HydrophobicContact CB-CD2 4.14Å; V756-F772 HydrophobicContact CB-CE2 3.77Å; V756-F772 HydrophobicContact CG2-CD2 3.62Å; V756-F772 HydrophobicContact CG2-CE2 3.59Å; V756-F772 HydrophobicContact CG2-CG 4.48Å; V756-F772 HydrophobicContact CG2-CZ 4.4Å; V756-I776 HydrophobicContact CG2-CB 4.38Å; V756-I776 HydrophobicContact CG2-CG1 3.66Å; V756-L834 HydrophobicContact CG1-CD2 4.45Å; V756-L834 HydrophobicContact CG2-CD1 4.14Å
757	I	96.6	Very high	96	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125.7	-176	-47.8	179	0	0	0	108.7	I748 T749 L755 W759 A766 W768	I748-I757 CarbonylContact C-O 3.48Å; I748-I757 VanDerWaalsContact CA-O 3.32Å; I748-I757 WeakPolarHBondContact CA-O 3.48Å; I748-I757 WeakPolarHBondContact CG1-O 3.25Å; T749-I757 PolarHBondContact N-O 3.47Å; T749-I757 PolarHBondContact O-N 2.86Å; L755-I757 HydrophobicContact CB-CG1 4.27Å; L755-I757 HydrophobicContact CD1-CD1 4.31Å; I757-W759 HydrophobicContact CB-CZ2 3.89Å; I757-W759 HydrophobicContact CD1-CH2 4.17Å; I757-W759 HydrophobicContact CD1-CZ2 3.71Å; I757-W759 HydrophobicContact CG1-CZ2 4.38Å; I757-W759 HydrophobicContact CG2-CD2 3.78Å; I757-W759 VanDerWaalsContact CG2-CE2 3.43Å; I757-W759 HydrophobicContact CG2-CE3 4.17Å; I757-W759 HydrophobicContact CG2-CG 4.36Å; I757-W759 HydrophobicContact CG2-CH2 4.02Å; I757-W759 HydrophobicContact CG2-CZ2 3.59Å; I757-W759 HydrophobicContact CG2-CZ3 4.28Å; I757-W759 PolarHBondContact O-NE1 2.86Å; I757-A766 HydrophobicContact CG2-CB 3.81Å; I757-W768 WeakPolarHBondContact CA-O 3.29Å; I757-W768 WeakPolarHBondContact CG2-O 3.44Å
758	L	97.2	Very high	95.8	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.026	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124.1	170.7	-177.1	70.6	0	0	0	108.7	I748 A766 I767 W768 F781	I748-L758 HydrophobicContact CB-CD1 4.11Å; I748-L758 HydrophobicContact CG1-CD1 4.36Å; L758-A766 CarbonylContact O-C 3.59Å; L758-I767 HydrophobicContact CD2-CB 4.31Å; L758-I767 HydrophobicContact CD2-CD1 4.04Å; L758-I767 HydrophobicContact CD2-CG2 4.42Å; L758-I767 HydrophobicContact CG-CB 4.42Å; L758-I767 HydrophobicContact CG-CD1 4.11Å; L758-I767 PolarHBondContact O-N 3.4Å; L758-W768 HydrophobicContact CB-CD2 3.95Å; L758-W768 HydrophobicContact CB-CE3 4.46Å; L758-W768 HydrophobicContact CB-CG 4.41Å; L758-W768 HydrophobicContact CB-CH2 4.21Å; L758-W768 HydrophobicContact CB-CZ2 3.68Å; L758-W768 HydrophobicContact CD2-CZ2 4.16Å; L758-W768 HydrophobicContact CG-CZ2 4.47Å; L758-W768 PolarHBondContact N-O 3.33Å; L758-F781 HydrophobicContact CD1-CZ 3.9Å
759	W	97.1	Very high	95.5	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.008	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	145.6	-174.6	-52.2	92.1	0	0	0	111.3	Y413 F729 Q746 F747 T749 I757 A766	Y413-W759 HydrophobicContact CD1-CD2 4.21Å; Y413-W759 AromaticContact CD1-CE3 3.39Å; Y413-W759 HydrophobicContact CD1-CE3 3.39Å; Y413-W759 HydrophobicContact CD1-CH2 4.2Å; Y413-W759 AromaticContact CD1-CZ3 3.39Å; Y413-W759 HydrophobicContact CD1-CZ3 3.39Å; Y413-W759 HydrophobicContact CE1-CD2 4.32Å; Y413-W759 AromaticContact CE1-CE3 3.6Å; Y413-W759 HydrophobicContact CE1-CE3 3.6Å; Y413-W759 HydrophobicContact CE1-CZ3 4.07Å; Y413-W759 HydrophobicContact CG-CE3 4.2Å; Y413-W759 HydrophobicContact CG-CH2 4.48Å; Y413-W759 HydrophobicContact CG-CZ3 4.08Å; F729-W759 HydrophobicContact CB-CH2 3.74Å; F729-W759 HydrophobicContact CB-CZ3 3.86Å; Q746-W759 VanDerWaalsContact CA-O 3.24Å; Q746-W759 WeakPolarHBondContact CA-O 3.44Å; Q746-W759 WeakPolarHBondContact CB-O 3.41Å; F747-W759 HydrophobicContact CD1-CB 4.19Å; F747-W759 HydrophobicContact CD2-CB 4.09Å; F747-W759 AromaticContact CD2-CD1 3.57Å; F747-W759 HydrophobicContact CD2-CG 4.08Å; F747-W759 HydrophobicContact CE1-CB 3.79Å; F747-W759 HydrophobicContact CE1-CG 4.47Å; F747-W759 HydrophobicContact CE2-CB 3.67Å; F747-W759 AromaticContact CE2-CD1 3.23Å; F747-W759 HydrophobicContact CE2-CD2 4.33Å; F747-W759 AromaticContact CE2-CG 3.49Å; F747-W759 HydrophobicContact CE2-CG 3.49Å; F747-W759 VanDerWaalsContact CE2-CG 3.49Å; F747-W759 AromaticContact CE2-NE1 3.9Å; F747-W759 HydrophobicContact CG-CB 4.34Å; F747-W759 HydrophobicContact CZ-CB 3.5Å; F747-W759 AromaticContact CZ-CD1 3.96Å; F747-W759 HydrophobicContact CZ-CD2 4.48Å; F747-W759 AromaticContact CZ-CG 3.72Å; F747-W759 HydrophobicContact CZ-CG 3.72Å; F747-W759 PolarHBondContact N-O 2.97Å; F747-W759 VanDerWaalsContact N-O 3.16Å; F747-W759 PolarHBondContact O-N 3.16Å; T749-W759 PolarHBondContact OG1-NE1 3.32Å; I757-W759 HydrophobicContact CB-CZ2 3.89Å; I757-W759 HydrophobicContact CD1-CH2 4.17Å; I757-W759 HydrophobicContact CD1-CZ2 3.71Å; I757-W759 HydrophobicContact CG1-CZ2 4.38Å; I757-W759 HydrophobicContact CG2-CD2 3.78Å; I757-W759 VanDerWaalsContact CG2-CE2 3.43Å; I757-W759 HydrophobicContact CG2-CE3 4.17Å; I757-W759 HydrophobicContact CG2-CG 4.36Å; I757-W759 HydrophobicContact CG2-CH2 4.02Å; I757-W759 HydrophobicContact CG2-CZ2 3.59Å; I757-W759 HydrophobicContact CG2-CZ3 4.28Å; I757-W759 PolarHBondContact O-NE1 2.86Å; W759-A766 HydrophobicContact CE3-CB 3.85Å; W759-A766 HydrophobicContact CZ3-CB 3.93Å
760	D	96.2	Very high	95.3	Very high	26 Å²	26	33 Å²	33	14%	0.139	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128.6	162.1	-179	52.4	0	0	0	110.7	Y413 L762 S763 K764 Q765 I767	Y413-D760 PolarHBondContact OH-O 3.48Å; Y413-D760 VanDerWaalsContact OH-O 3.08Å; D760-L762 PolarHBondContact OD2-N 3.03Å; D760-S763 WeakPolarHBondContact CB-OG 3.15Å; D760-S763 WeakPolarHBondContact OD2-CB 3.49Å; D760-S763 PolarHBondContact OD2-N 2.84Å; D760-S763 PolarHBondContact OD2-OG 3.14Å; D760-K764 WeakPolarHBondContact O-CA 3.33Å; D760-K764 PolarHBondContact O-N 2.66Å; D760-Q765 PolarHBondContact N-O 3.43Å; D760-Q765 PolarHBondContact O-N 3.33Å; D760-I767 HydrophobicContact CB-CD1 4.07Å; D760-I767 HydrophobicContact CB-CG1 4.06Å
761	S	96.6	Very high	95.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-19.7	-175.8	-173.1	0	0	0	0	112.7	H745 K764 L1027 R1032 Q1045	H745-S761 WeakPolarHBondContact O-CA 3.49Å; H745-S761 WeakPolarHBondContact O-CB 3.3Å; H745-S761 PolarHBondContact O-N 3.05Å; S761-K764 WeakPolarHBondContact O-CD 3.33Å; S761-K764 WeakPolarHBondContact O-CE 3.21Å; S761-K764 PolarHBondContact O-NZ 3.44Å; S761-L1027 WeakPolarHBondContact OG-CD1 3.41Å; S761-R1032 WeakPolarHBondContact OG-CD 3.35Å; S761-Q1045 PolarHBondContact O-NE2 3.16Å; S761-Q1045 PolarHBondContact OG-NE2 3.35Å; S761-Q1045 PolarHBondContact OG-OE1 2.84Å
762	L	95.8	Very high	95	Very high	91 Å²	91	39.5 Å²	39.5	48%	0.476	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-60.1	177.3	-61.7	-178.2	0	0	0	111	H745 D760 K764	H745-L762 HydrophobicContact CB-CD1 4.1Å; H745-L762 HydrophobicContact CB-CD2 4.1Å; H745-L762 HydrophobicContact CB-CG 3.68Å; D760-L762 PolarHBondContact OD2-N 3.03Å; L762-K764 VanDerWaalsContact C-N 3.26Å; L762-K764 PolarHBondContact O-N 2.76Å; L762-K764 PolarHBondContact O-NZ 3.02Å
763	S	94.1	Very high	94.9	Very high	62 Å²	62	39.4 Å²	39.4	43%	0.434	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-12.1	178.7	65.3	0	0	0	0	114.7	D760 Q765	D760-S763 WeakPolarHBondContact CB-OG 3.15Å; D760-S763 WeakPolarHBondContact OD2-CB 3.49Å; D760-S763 PolarHBondContact OD2-N 2.84Å; D760-S763 PolarHBondContact OD2-OG 3.14Å; S763-Q765 VanDerWaalsContact C-N 3.26Å; S763-Q765 PolarHBondContact O-N 2.76Å
764	K	94.7	Very high	94.9	Very high	20 Å²	20	40.4 Å²	40.4	9%	0.087	21%	0.214	C	C	.	.			trans	65.9	21.8	179.9	-47.1	-63.1	-173.6	-79.3	0	114.8	E410 W411 Y413 D760 S761 L762	E410-K764 VanDerWaalsContact OE1-CE 3.25Å; E410-K764 WeakPolarHBondContact OE1-CE 3.35Å; E410-K764 IonicContact OE1-NZ 2.76Å; E410-K764 PolarHBondContact OE1-NZ 3.04Å; E410-K764 IonicContact OE2-NZ 3.65Å; W411-K764 HydrophobicContact CB-CD 3.79Å; W411-K764 HydrophobicContact CD2-CB 3.75Å; W411-K764 HydrophobicContact CD2-CD 3.87Å; W411-K764 HydrophobicContact CD2-CG 3.66Å; W411-K764 VanDerWaalsContact CE2-CB 3.48Å; W411-K764 HydrophobicContact CE3-CB 4.24Å; W411-K764 HydrophobicContact CE3-CD 4.17Å; W411-K764 HydrophobicContact CE3-CG 3.77Å; W411-K764 HydrophobicContact CG-CB 4.13Å; W411-K764 HydrophobicContact CG-CD 3.71Å; W411-K764 HydrophobicContact CG-CG 4.04Å; W411-K764 HydrophobicContact CH2-CB 4.19Å; W411-K764 HydrophobicContact CH2-CG 4.35Å; W411-K764 HydrophobicContact CZ2-CB 3.73Å; W411-K764 HydrophobicContact CZ2-CG 4.3Å; W411-K764 HydrophobicContact CZ3-CB 4.42Å; W411-K764 HydrophobicContact CZ3-CG 4.1Å; Y413-K764 VanDerWaalsContact CE1-O 3.27Å; Y413-K764 WeakPolarHBondContact CE1-O 3.24Å; D760-K764 WeakPolarHBondContact O-CA 3.33Å; D760-K764 PolarHBondContact O-N 2.66Å; S761-K764 WeakPolarHBondContact O-CD 3.33Å; S761-K764 WeakPolarHBondContact O-CE 3.21Å; S761-K764 PolarHBondContact O-NZ 3.44Å; L762-K764 VanDerWaalsContact C-N 3.26Å; L762-K764 PolarHBondContact O-N 2.76Å; L762-K764 PolarHBondContact O-NZ 3.02Å
765	Q	91.8	Very high	94.9	Very high	56 Å²	56	37.7 Å²	37.7	26%	0.262	20%	0.204	S	C	.	.			trans	-110.6	159.3	-177.1	-63.6	-58.9	-24.8	0	0	113.1	D760 S763	D760-Q765 PolarHBondContact N-O 3.43Å; D760-Q765 PolarHBondContact O-N 3.33Å; S763-Q765 VanDerWaalsContact C-N 3.26Å; S763-Q765 PolarHBondContact O-N 2.76Å
766	A	92.8	Very high	95	Very high	19 Å²	19	37.2 Å²	37.2	16%	0.157	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125.2	164.7	0	0	0	0	0	109.4	F729 I757 L758 W759	F729-A766 HydrophobicContact CB-CB 4.43Å; F729-A766 HydrophobicContact CD2-CB 3.74Å; F729-A766 HydrophobicContact CE2-CB 4.08Å; F729-A766 HydrophobicContact CG-CB 4.05Å; I757-A766 HydrophobicContact CG2-CB 3.81Å; L758-A766 CarbonylContact O-C 3.59Å; W759-A766 HydrophobicContact CE3-CB 3.85Å; W759-A766 HydrophobicContact CZ3-CB 3.93Å
767	I	93.5	Very high	95	Very high	81 Å²	81	37.7 Å²	37.7	42%	0.415	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	-42.6	174.6	-58.5	172.6	0	0	0	109.5	Q746 L758 D760	Q746-I767 HydrophobicContact CG-CD1 3.91Å; L758-I767 HydrophobicContact CD2-CB 4.31Å; L758-I767 HydrophobicContact CD2-CD1 4.04Å; L758-I767 HydrophobicContact CD2-CG2 4.42Å; L758-I767 HydrophobicContact CG-CB 4.42Å; L758-I767 HydrophobicContact CG-CD1 4.11Å; L758-I767 PolarHBondContact O-N 3.4Å; D760-I767 HydrophobicContact CB-CD1 4.07Å; D760-I767 HydrophobicContact CB-CG1 4.06Å
768	W	93.5	Very high	95.1	Very high	24 Å²	24	38.2 Å²	38.2	9%	0.091	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	159.4	168.5	53.9	-103.8	0	0	0	111.2	I748 V756 I757 L758 K770 F844 C846	I748-W768 HydrophobicContact CD1-CH2 4.01Å; I748-W768 HydrophobicContact CD1-CZ2 4.47Å; V756-W768 HydrophobicContact CB-CZ3 4.3Å; V756-W768 HydrophobicContact CG1-CH2 3.99Å; V756-W768 HydrophobicContact CG1-CZ3 3.99Å; V756-W768 WeakPolarHBondContact O-CZ3 3.46Å; I757-W768 WeakPolarHBondContact CA-O 3.29Å; I757-W768 WeakPolarHBondContact CG2-O 3.44Å; L758-W768 HydrophobicContact CB-CD2 3.95Å; L758-W768 HydrophobicContact CB-CE3 4.46Å; L758-W768 HydrophobicContact CB-CG 4.41Å; L758-W768 HydrophobicContact CB-CH2 4.21Å; L758-W768 HydrophobicContact CB-CZ2 3.68Å; L758-W768 HydrophobicContact CD2-CZ2 4.16Å; L758-W768 HydrophobicContact CG-CZ2 4.47Å; L758-W768 PolarHBondContact N-O 3.33Å; W768-K770 HydrophobicContact CE3-CB 4.09Å; W768-K770 HydrophobicContact CZ3-CB 4.07Å; W768-F844 HydrophobicContact CH2-CD1 4.11Å; W768-F844 AromaticContact CH2-CE1 3.48Å; W768-F844 HydrophobicContact CH2-CE1 3.48Å; W768-F844 VanDerWaalsContact CH2-CE1 3.48Å; W768-F844 HydrophobicContact CH2-CZ 4.35Å; W768-F844 HydrophobicContact CZ2-CD1 4.37Å; W768-F844 AromaticContact CZ2-CE1 3.68Å; W768-F844 HydrophobicContact CZ2-CE1 3.68Å; W768-F844 HydrophobicContact CZ3-CE1 4.16Å; W768-C846 HydrophobicContact CZ2-CB 3.93Å; W768-C846 PolarHBondContact NE1-O 3.46Å
769	S	92.5	Very high	95.2	Very high	41 Å²	41	38.6 Å²	38.6	29%	0.287	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.9	167.6	173.9	0	0	0	0	108.8	V756	V756-S769 CarbonylContact O-C 3.58Å; V756-S769 WeakPolarHBondContact O-CA 3.4Å
770	K	94.1	Very high	95.2	Very high	74 Å²	74	39.1 Å²	39.1	32%	0.322	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	135.3	179.6	-170.6	163.2	-169.6	151.2	0	111.9	V756 W768 F772 F844 Q849	V756-K770 PolarHBondContact N-O 2.71Å; V756-K770 PolarHBondContact O-N 2.81Å; W768-K770 HydrophobicContact CE3-CB 4.09Å; W768-K770 HydrophobicContact CZ3-CB 4.07Å; K770-F772 HydrophobicContact CB-CE2 4.08Å; K770-F772 HydrophobicContact CD-CE2 4.43Å; K770-F772 HydrophobicContact CG-CE2 4.04Å; K770-F772 WeakPolarHBondContact O-CD2 3.39Å; K770-F844 HydrophobicContact CD-CE2 3.91Å; K770-F844 HydrophobicContact CD-CZ 3.71Å; K770-Q849 PolarHBondContact NZ-O 2.75Å
771	E	94.1	Very high	95.3	Very high	117 Å²	117	38.7 Å²	38.7	55%	0.547	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	137.7	178.1	-161.6	171.3	149.6	0	0	110.6	H754 L755	H754-E771 HydrophobicContact CB-CG 4.21Å; H754-E771 CarbonylContact O-C 3.59Å; H754-E771 WeakPolarHBondContact O-CA 3.4Å; L755-E771 HydrophobicContact CD2-CB 4.15Å; L755-E771 HydrophobicContact CD2-CG 4.35Å
772	F	95.3	Very high	95.3	Very high	20 Å²	20	39.8 Å²	39.8	9%	0.088	22%	0.217	C	C	.	.			trans	-119.3	168.3	-177.8	-77.5	-103	0	0	0	111.8	H754 V756 K770 L834 L842 F844 I851	H754-F772 WeakPolarHBondContact CB-O 3.48Å; H754-F772 PolarHBondContact ND1-O 2.73Å; H754-F772 PolarHBondContact O-N 3.06Å; V756-F772 HydrophobicContact CB-CD2 4.14Å; V756-F772 HydrophobicContact CB-CE2 3.77Å; V756-F772 HydrophobicContact CG2-CD2 3.62Å; V756-F772 HydrophobicContact CG2-CE2 3.59Å; V756-F772 HydrophobicContact CG2-CG 4.48Å; V756-F772 HydrophobicContact CG2-CZ 4.4Å; K770-F772 HydrophobicContact CB-CE2 4.08Å; K770-F772 HydrophobicContact CD-CE2 4.43Å; K770-F772 HydrophobicContact CG-CE2 4.04Å; K770-F772 WeakPolarHBondContact O-CD2 3.39Å; F772-L834 HydrophobicContact CE1-CD1 3.93Å; F772-L834 HydrophobicContact CE2-CD1 4.45Å; F772-L834 HydrophobicContact CZ-CD1 3.84Å; F772-L842 HydrophobicContact CD1-CD1 3.82Å; F772-L842 HydrophobicContact CE1-CD1 4.1Å; F772-F844 HydrophobicContact CE1-CD2 4.1Å; F772-F844 HydrophobicContact CE1-CE2 4.44Å; F772-F844 AromaticContact CZ-CD2 3.7Å; F772-F844 HydrophobicContact CZ-CD2 3.7Å; F772-F844 AromaticContact CZ-CE2 3.79Å; F772-F844 HydrophobicContact CZ-CE2 3.79Å; F772-F844 HydrophobicContact CZ-CG 4.1Å; F772-F844 HydrophobicContact CZ-CZ 4.27Å; F772-I851 HydrophobicContact CD1-CD1 4.49Å; F772-I851 HydrophobicContact CE1-CD1 4.19Å; F772-I851 HydrophobicContact CE1-CG1 4.29Å
773	T	93.5	Very high	95.1	Very high	102 Å²	102	36.6 Å²	36.6	63%	0.626	20%	0.202	S	C	*	.	S	Bend	trans	-73.2	-31.6	179.2	48	0	0	0	0	113.8	H754 R840	H754-T773 PolarHBondContact CE1-O 3.26Å; H754-T773 PolarHBondContact ND1-O 3.14Å; T773-R840 PolarHBondContact OG1-NH1 2.94Å
774	D	94.4	Very high	94.4	Very high	26 Å²	26	36 Å²	36	14%	0.139	20%	0.196	C	C	.	.	S	Bend	trans	-118.7	148.5	-170.8	-61.5	-103	0	0	0	109.4	I776 T836 T838 R840	D774-I776 PolarHBondContact O-N 2.71Å; D774-T836 HydrophobicContact CB-CG2 3.66Å; D774-T838 PolarHBondContact OD1-OG1 3.05Å; D774-R840 WeakPolarHBondContact OD2-CD 3.17Å; D774-R840 IonicContact OD2-CZ 3.89Å; D774-R840 IonicContact OD2-NE 3.13Å; D774-R840 IonicContact OD2-NH1 3.77Å; D774-R840 PolarHBondContact OD2-NH1 2.93Å
775	A	96.3	Very high	93.1	Very high	13 Å²	13	39.2 Å²	39.2	11%	0.107	21%	0.211	C	C	.	.			trans	-65.8	130.4	173.4	0	0	0	0	0	110.5	R752 T836 S837	R752-A775 HydrophobicContact CB-CB 4.42Å; R752-A775 HydrophobicContact CG-CB 4.25Å; A775-T836 VanDerWaalsContact O-CA 3.22Å; A775-T836 WeakPolarHBondContact O-CA 3.33Å; A775-T836 WeakPolarHBondContact O-CB 3.47Å; A775-S837 PolarHBondContact O-N 3.07Å; A775-S837 VanDerWaalsContact O-N 3.1Å
776	I	98	Very high	91.1	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	128.4	-178.7	-53	-51.8	0	0	0	109.1	G750 G751 V756 D774 L834 T836	G750-I776 CarbonylContact C-O 3.55Å; G751-I776 CarbonylContact C-O 3.57Å; G751-I776 WeakPolarHBondContact CA-O 3.43Å; G751-I776 PolarHBondContact N-O 2.97Å; G751-I776 PolarHBondContact O-N 3.33Å; G751-I776 VanDerWaalsContact O-N 3.14Å; V756-I776 HydrophobicContact CG2-CB 4.38Å; V756-I776 HydrophobicContact CG2-CG1 3.66Å; D774-I776 PolarHBondContact O-N 2.71Å; I776-L834 HydrophobicContact CD1-CB 4.34Å; I776-L834 HydrophobicContact CG2-CB 4.28Å; I776-L834 HydrophobicContact CG2-CD2 4.36Å; I776-T836 HydrophobicContact CD1-CG2 3.89Å
777	H	97.9	Very high	88.2	Confident	11 Å²	11	45 Å²	45	5%	0.051	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-35.5	-177.5	-173.6	73.6	0	0	0	113.1	W736 S737 G835 Q862 I863 E864	W736-H777 CarbonylContact C-O 3.54Å; W736-H777 VanDerWaalsContact C-O 3.3Å; W736-H777 VanDerWaalsContact CB-NE2 3.31Å; W736-H777 WeakPolarHBondContact CB-NE2 3.34Å; W736-H777 AromaticContact CD1-CE1 3.54Å; W736-H777 AromaticContact CD1-NE2 3.3Å; W736-H777 VanDerWaalsContact CD1-NE2 3.3Å; W736-H777 AromaticContact CD2-NE2 2.86Å; W736-H777 AromaticContact CE2-NE2 3.41Å; W736-H777 AromaticContact CE3-NE2 3.38Å; W736-H777 AromaticContact CG-CE1 3.58Å; W736-H777 AromaticContact CG-ND1 3.78Å; W736-H777 AromaticContact CG-NE2 2.83Å; W736-H777 AromaticContact NE1-NE2 3.59Å; S737-H777 VanDerWaalsContact CA-O 3.26Å; S737-H777 WeakPolarHBondContact CA-O 3.37Å; S737-H777 WeakPolarHBondContact CB-O 3.45Å; S737-H777 PolarHBondContact N-O 2.9Å; H777-G835 PolarHBondContact N-O 2.74Å; H777-Q862 HydrophobicContact CB-CG 4.16Å; H777-Q862 PolarHBondContact CD2-NE2 3.18Å; H777-Q862 VanDerWaalsContact CG-CD 3.47Å; H777-Q862 PolarHBondContact ND1-NE2 2.72Å; H777-I863 PolarHBondContact CD2-O 2.62Å; H777-E864 PolarHBondContact CD2-O 3.04Å; H777-E864 IonicContact CD2-OE2 3.25Å
778	C	98.3	Very high	85.3	Confident	11 Å²	11	47.9 Å²	47.9	7%	0.074	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	161.1	179.4	57.5	0	0	0	0	112.2	S737 G835 I863 E864 V866	S737-C778 WeakPolarHBondContact OG-CA 3.39Å; S737-C778 PolarHBondContact OG-O 2.9Å; C778-G835 PolarHBondContact N-O 2.96Å; C778-G835 PolarHBondContact O-N 3.08Å; C778-I863 PolarHBondContact SG-O 2.95Å; C778-E864 VanDerWaalsContact CB-O 3.29Å; C778-E864 WeakPolarHBondContact CB-O 3.29Å; C778-V866 HydrophobicContact CB-CG2 4.32Å
779	A	98.5	Very high	82.1	Confident	12 Å²	12	53.8 Å²	53.8	10%	0.099	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	158.6	178.8	0	0	0	0	0	112	S737 A739 I748 V832 V833 L834 V866	S737-A779 WeakPolarHBondContact OG-CB 3.1Å; S737-A779 PolarHBondContact OG-N 2.83Å; S737-A779 VanDerWaalsContact OG-N 3.15Å; A739-A779 HydrophobicContact CB-CB 4.24Å; I748-A779 HydrophobicContact CG2-CB 4.37Å; A779-V832 HydrophobicContact CB-CG2 4.25Å; A779-V833 CarbonylContact C-O 3.5Å; A779-V833 WeakPolarHBondContact CA-O 3.38Å; A779-V833 WeakPolarHBondContact CB-O 3.29Å; A779-L834 HydrophobicContact CB-CD2 3.81Å; A779-V866 VanDerWaalsContact C-CG2 3.45Å
780	A	98.3	Very high	79.2	Confident	14 Å²	14	56.4 Å²	56.4	12%	0.116	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	141.1	166.5	0	0	0	0	0	110.6	V832 V833 V866 Y868	A780-V832 CarbonylContact O-C 3.57Å; A780-V832 WeakPolarHBondContact O-CA 3.41Å; A780-V832 WeakPolarHBondContact O-CG2 3.45Å; A780-V833 HydrophobicContact CB-CG1 3.92Å; A780-V833 PolarHBondContact N-O 3.47Å; A780-V833 WeakPolarHBondContact O-CG1 3.43Å; A780-V833 PolarHBondContact O-N 2.63Å; A780-V866 HydrophobicContact CB-CG2 4.07Å; A780-Y868 HydrophobicContact CB-CD2 4.18Å; A780-Y868 HydrophobicContact CB-CE2 4.47Å
781	F	97.3	Very high	76.1	Confident	17 Å²	17	60.7 Å²	60.7	8%	0.075	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	144.3	171.9	-76.7	-82.6	0	0	0	111.1	A739 K740 H741 P742 I748 L758 L830 V832 Y868	A739-F781 HydrophobicContact CB-CD2 4.12Å; A739-F781 HydrophobicContact CB-CE2 4.36Å; K740-F781 WeakPolarHBondContact O-CD2 3.07Å; H741-F781 HydrophobicContact CB-CE2 4.43Å; P742-F781 HydrophobicContact CG-CB 4.47Å; I748-F781 HydrophobicContact CB-CE2 3.98Å; I748-F781 HydrophobicContact CB-CZ 3.87Å; I748-F781 HydrophobicContact CD1-CZ 4.4Å; I748-F781 HydrophobicContact CG2-CD2 4.42Å; I748-F781 HydrophobicContact CG2-CE2 3.55Å; I748-F781 HydrophobicContact CG2-CZ 3.84Å; L758-F781 HydrophobicContact CD1-CZ 3.9Å; F781-L830 HydrophobicContact CD1-CD1 3.54Å; F781-L830 HydrophobicContact CD1-CG 4.11Å; F781-L830 HydrophobicContact CE1-CD1 3.79Å; F781-L830 HydrophobicContact CE1-CD2 4.01Å; F781-L830 HydrophobicContact CE1-CG 3.92Å; F781-V832 HydrophobicContact CD1-CB 3.98Å; F781-V832 HydrophobicContact CD1-CG2 4.19Å; F781-V832 HydrophobicContact CE1-CB 4.11Å; F781-V832 HydrophobicContact CE1-CG2 4.31Å; F781-V832 HydrophobicContact CG-CG2 4.34Å; F781-Y868 WeakPolarHBondContact O-CD2 3.31Å
782	Y	96	Very high	73.2	Confident	23 Å²	23	59 Å²	59	9%	0.09	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-65.8	129.8	168.6	-177.1	-106.2	0	0	0	109.3	Q785 L831 Y868 G872 V889	Y782-Q785 HydrophobicContact CE1-CG 4.5Å; Y782-Q785 PolarHBondContact OH-NE2 3.48Å; Y782-L831 PolarHBondContact N-O 3.3Å; Y782-Y868 AromaticContact CD2-CD1 3.94Å; Y782-Y868 HydrophobicContact CD2-CD1 3.94Å; Y782-Y868 AromaticContact CD2-CE1 3.68Å; Y782-Y868 HydrophobicContact CD2-CE1 3.68Å; Y782-Y868 HydrophobicContact CD2-CG 4.48Å; Y782-Y868 AromaticContact CD2-CZ 4Å; Y782-Y868 HydrophobicContact CE2-CD1 4.46Å; Y782-Y868 HydrophobicContact CE2-CE1 4.39Å; Y782-G872 VanDerWaalsContact CE2-O 3.29Å; Y782-G872 WeakPolarHBondContact CE2-O 3.35Å; Y782-G872 PolarHBondContact OH-O 3.5Å; Y782-V889 HydrophobicContact CD2-CG1 4.27Å; Y782-V889 HydrophobicContact CE2-CG1 3.67Å
783	P	92.3	Very high	70	Confident	24 Å²	24	63.2 Å²	63.2	16%	0.156	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-70.6	148.9	-175.8	28.4	-35.6	0	0	0	112	Q785 G872	P783-Q785 PolarHBondContact O-N 2.81Å; P783-G872 VanDerWaalsContact CG-CA 3.45Å
784	P	79.7	Confident	66.9	Low	49 Å²	49	67 Å²	67	32%	0.318	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-66.6	133.9	173.1	30.7	-36.3	0	0	0	109.8	P742 Q743 S786	P742-P784 HydrophobicContact CB-CG 4.35Å; Q743-P784 HydrophobicContact CG-CB 4.26Å; Q743-P784 HydrophobicContact CG-CG 3.83Å; P784-S786 PolarHBondContact O-N 3.03Å
785	Q	66.3	Low	63.6	Low	87 Å²	87	70.1 Å²	70.1	41%	0.407	42%	0.418	S	S	.	.			trans	-72.8	90.9	177.7	-67.2	-165.9	-28.6	0	0	110.7	Y782 P783 V787	Y782-Q785 HydrophobicContact CE1-CG 4.5Å; Y782-Q785 PolarHBondContact OH-NE2 3.48Å; P783-Q785 PolarHBondContact O-N 2.81Å; Q785-V787 PolarHBondContact O-N 3.38Å
786	S	50.6	Low	60.5	Low	88 Å²	88	74.7 Å²	74.7	62%	0.615	45%	0.447	S	S	*	.			trans	-66.1	127	170.2	57.7	0	0	0	0	110	P784 L788	P784-S786 PolarHBondContact O-N 3.03Å; S786-L788 PolarHBondContact O-N 3.18Å; S786-L788 VanDerWaalsContact O-N 3.1Å
787	V	32.9	Very low	57.3	Low	110 Å²	110	80.7 Å²	80.7	67%	0.667	48%	0.483	S	S	*	.			trans	-72.4	105.2	169.3	179.5	0	0	0	0	107.2	Q785 I789	Q785-V787 PolarHBondContact O-N 3.38Å; V787-I789 VanDerWaalsContact C-N 3.34Å; V787-I789 HydrophobicContact CG1-CG1 4.11Å; V787-I789 PolarHBondContact O-N 3.08Å
788	L	32.8	Very low	54.2	Low	140 Å²	140	86.9 Å²	86.9	73%	0.733	52%	0.517	S	S	*	.			trans	-66.8	92	172.3	-76.8	171.3	0	0	0	109.8	S786 T790	S786-L788 PolarHBondContact O-N 3.18Å; S786-L788 VanDerWaalsContact O-N 3.1Å; L788-T790 VanDerWaalsContact C-N 3.26Å; L788-T790 PolarHBondContact O-N 3.4Å
789	I	25.8	Very low	50.8	Low	149 Å²	149	93.1 Å²	93.1	76%	0.764	55%	0.549	S	S	*	.			trans	-75.8	81.3	172.4	-55.9	175	0	0	0	108.4	V787	V787-I789 VanDerWaalsContact C-N 3.34Å; V787-I789 HydrophobicContact CG1-CG1 4.11Å; V787-I789 PolarHBondContact O-N 3.08Å
790	T	30.2	Very low	47.7	Very low	96 Å²	96	101.5 Å²	101.5	59%	0.589	59%	0.586	S	S	*	*			trans	-93.6	106.8	169.3	52.9	0	0	0	0	110	L788 G792	L788-T790 VanDerWaalsContact C-N 3.26Å; L788-T790 PolarHBondContact O-N 3.4Å; T790-G792 PolarHBondContact O-N 3.01Å
791	N	29.8	Very low	44.5	Very low	163 Å²	163	107.9 Å²	107.9	87%	0.872	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	42.6	62.6	162.3	-62.9	-10.2	0	0	0	117.1	T793	N791-T793 PolarHBondContact O-N 3.43Å
792	G	32.4	Very low	41.4	Very low	81 Å²	81	113.6 Å²	113.6	84%	0.835	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	87.4	-6.9	153.7	0	0	0	0	0	118.2	T790	T790-G792 PolarHBondContact O-N 3.01Å
793	T	28.3	Very low	38.5	Very low	110 Å²	110	119 Å²	119	68%	0.675	68%	0.68	S	S	*	*			trans	-126.9	117.3	175.6	52.3	0	0	0	0	112.1	N791 S795	N791-T793 PolarHBondContact O-N 3.43Å; T793-S795 PolarHBondContact O-N 3.29Å
794	M	28.1	Very low	35.8	Very low	180 Å²	180	122.9 Å²	122.9	89%	0.887	71%	0.708	S	S	*	*			trans	-72.9	120.1	167.3	-74.4	-167.4	176.5	0	0	110.4
795	S	26.8	Very low	33.5	Very low	92 Å²	92	127.6 Å²	127.6	64%	0.643	73%	0.73	S	S	*	*			trans	-130.9	120.6	165.2	58.6	0	0	0	0	109.7	T793	T793-S795 PolarHBondContact O-N 3.29Å
796	P	30.9	Very low	32.1	Very low	110 Å²	110	131.4 Å²	131.4	71%	0.714	75%	0.752	S	S	*	*			trans	-66.2	135.5	169.4	29.1	-33.1	0	0	0	109.2	N798	P796-N798 VanDerWaalsContact C-N 3.28Å; P796-N798 PolarHBondContact O-N 3.33Å
797	V	31.5	Very low	31.1	Very low	127 Å²	127	134.9 Å²	134.9	77%	0.77	76%	0.764	S	S	*	*			trans	-74.1	82.4	-179.1	-175.7	0	0	0	0	109.9
798	N	31.1	Very low	31.2	Very low	141 Å²	141	133.3 Å²	133.3	75%	0.754	77%	0.77	S	S	*	*			trans	-93.2	121	168.4	-85.9	-25.9	0	0	0	109.5	P796 H800	P796-N798 VanDerWaalsContact C-N 3.28Å; P796-N798 PolarHBondContact O-N 3.33Å; N798-H800 PolarHBondContact O-N 2.98Å
799	N	28.1	Very low	31.2	Very low	142 Å²	142	134.2 Å²	134.2	76%	0.759	78%	0.775	S	S	*	*			trans	-59.4	119.3	167.7	-75	-50	0	0	0	110.5
800	H	33.4	Very low	31.6	Very low	189 Å²	189	134.6 Å²	134.6	88%	0.875	78%	0.779	S	S	*	*			trans	-167.6	157.5	138.1	-106.7	57.4	0	0	0	110.8	N798	N798-H800 PolarHBondContact O-N 2.98Å
801	N	30.3	Very low	31.9	Very low	148 Å²	148	136.2 Å²	136.2	79%	0.791	79%	0.788	S	S	*	*			trans	-90.1	169.5	-176.1	-61.2	-38.5	0	0	0	112.9
802	N	32.1	Very low	32	Very low	137 Å²	137	135.7 Å²	135.7	73%	0.733	78%	0.784	S	S	*	*			trans	95.7	123.7	158	-63.1	14.6	0	0	0	119.5
803	D	34.5	Very low	32	Very low	135 Å²	135	139.6 Å²	139.6	72%	0.722	79%	0.786	S	S	*	*			trans	72	81.2	132.7	-52.8	-18.8	0	0	0	122.5
804	S	35.6	Very low	32.1	Very low	107 Å²	107	142 Å²	142	75%	0.748	79%	0.789	S	S	*	*				71.2	136.3	120.9	74.4	0	0	0	0	122.7
805	N	31.7	Very low	32.1	Very low	147 Å²	147	139.4 Å²	139.4	79%	0.786	78%	0.784	S	S	*	*			trans	54.9	116.6	151	-74.5	-27.1	0	0	0	120.3
806	I	37	Very low	32.4	Very low	168 Å²	168	142.4 Å²	142.4	86%	0.862	79%	0.793	S	S	*	*				-170.4	147.6	105.3	-97.5	156.9	0	0	0	110.6
807	N	31	Very low	32.3	Very low	161 Å²	161	144.7 Å²	144.7	86%	0.861	80%	0.799	S	S	*	*			trans	-83.2	146.7	178.2	-61.7	-48.3	0	0	0	112.1
808	G	34.7	Very low	32.4	Very low	77 Å²	77	144.3 Å²	144.3	79%	0.794	79%	0.792	S	S	*	*			trans	-163.7	92	173.4	0	0	0	0	0	113
809	N	31.2	Very low	32.3	Very low	158 Å²	158	145.6 Å²	145.6	85%	0.845	80%	0.799	S	S	*	*			trans	-69.9	135.4	174.4	-64.6	-18.5	0	0	0	110.6
810	N	36.1	Very low	32.3	Very low	157 Å²	157	145.7 Å²	145.7	84%	0.84	79%	0.793	S	S	*	*			trans	-152.8	104.5	149.5	-97.6	-33	0	0	0	111.3
811	V	36	Very low	32.3	Very low	130 Å²	130	140.8 Å²	140.8	79%	0.788	77%	0.773	S	S	*	*			trans	32.7	121.4	133.3	-174.6	0	0	0	0	118.2
812	I	30.4	Very low	32.4	Very low	153 Å²	153	140 Å²	140	79%	0.785	77%	0.773	S	S	*	*			trans	-76.5	137.8	165.5	-56.2	161.3	0	0	0	108.6	E814	I812-E814 HydrophobicContact CG2-CG 4.42Å
813	D	33.3	Very low	32.1	Very low	162 Å²	162	138.6 Å²	138.6	87%	0.866	77%	0.774	S	S	*	*			trans	-121.6	129.1	164.6	-146.7	0.5	0	0	0	108.1
814	E	30.3	Very low	31.8	Very low	160 Å²	160	137.7 Å²	137.7	75%	0.748	77%	0.767	S	S	*	*			trans	-90.4	171.9	-174.6	-66.7	-170.9	149.2	0	0	111.7	I812	I812-E814 HydrophobicContact CG2-CG 4.42Å
815	T	29	Very low	31.6	Very low	127 Å²	127	140.9 Å²	140.9	78%	0.779	77%	0.772	S	S	*	*			trans	68.8	89.1	173.2	69.7	0	0	0	0	116.8
816	N	31.3	Very low	31.5	Very low	154 Å²	154	139.3 Å²	139.3	82%	0.824	76%	0.764	S	S	*	*			trans	-151.7	137.5	143.1	-103.3	-59.1	0	0	0	110.8	L818	N816-L818 PolarHBondContact O-N 2.73Å
817	N	29.6	Very low	31.8	Very low	159 Å²	159	136.3 Å²	136.3	85%	0.85	76%	0.758	S	S	*	*			trans	-73.3	118	178.1	-64.2	-42.6	0	0	0	109.9
818	L	33.6	Very low	33.4	Very low	118 Å²	118	135.3 Å²	135.3	62%	0.618	75%	0.748	S	S	*	*			trans	-122.9	98.2	169.7	-106.3	75.8	0	0	0	109.9	N816 F820	N816-L818 PolarHBondContact O-N 2.73Å; L818-F820 HydrophobicContact CB-CB 4.31Å; L818-F820 HydrophobicContact CB-CD2 3.97Å; L818-F820 HydrophobicContact CB-CG 4.27Å; L818-F820 HydrophobicContact CD2-CB 4.46Å; L818-F820 HydrophobicContact CD2-CD1 3.99Å; L818-F820 HydrophobicContact CD2-CD2 3.74Å; L818-F820 HydrophobicContact CD2-CE1 4.16Å; L818-F820 HydrophobicContact CD2-CE2 3.91Å; L818-F820 HydrophobicContact CD2-CG 3.79Å; L818-F820 HydrophobicContact CD2-CZ 4.12Å; L818-F820 HydrophobicContact CG-CD2 3.62Å; L818-F820 HydrophobicContact CG-CE2 3.87Å; L818-F820 HydrophobicContact CG-CG 4.11Å; L818-F820 PolarHBondContact O-N 2.91Å
819	D	29.1	Very low	35.5	Very low	168 Å²	168	134.3 Å²	134.3	90%	0.898	72%	0.724	S	S	*	*			trans	-70.3	64	166.1	-68.5	-61.2	0	0	0	110.4
820	F	28.7	Very low	38.4	Very low	144 Å²	144	127.9 Å²	127.9	63%	0.632	69%	0.689	S	S	*	*			trans	-99.7	111.2	-167.6	-103.6	-127.9	0	0	0	113.6	L818	L818-F820 HydrophobicContact CB-CB 4.31Å; L818-F820 HydrophobicContact CB-CD2 3.97Å; L818-F820 HydrophobicContact CB-CG 4.27Å; L818-F820 HydrophobicContact CD2-CB 4.46Å; L818-F820 HydrophobicContact CD2-CD1 3.99Å; L818-F820 HydrophobicContact CD2-CD2 3.74Å; L818-F820 HydrophobicContact CD2-CE1 4.16Å; L818-F820 HydrophobicContact CD2-CE2 3.91Å; L818-F820 HydrophobicContact CD2-CG 3.79Å; L818-F820 HydrophobicContact CD2-CZ 4.12Å; L818-F820 HydrophobicContact CG-CD2 3.62Å; L818-F820 HydrophobicContact CG-CE2 3.87Å; L818-F820 HydrophobicContact CG-CG 4.11Å; L818-F820 PolarHBondContact O-N 2.91Å
821	N	33.1	Very low	41.2	Very low	87 Å²	87	120.5 Å²	120.5	47%	0.465	65%	0.65	S	S	.	*			trans	77.6	28.7	145.1	-56.4	-22.9	0	0	0	119.5	S823 M824	N821-S823 PolarHBondContact O-N 3.35Å; N821-M824 HydrophobicContact CB-CB 4.17Å; N821-M824 HydrophobicContact CB-CG 4.33Å
822	V	31.9	Very low	44.1	Very low	131 Å²	131	114.3 Å²	114.3	79%	0.794	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-14.4	155.6	179.6	0	0	0	0	111.6
823	S	26.6	Very low	47.3	Very low	107 Å²	107	107 Å²	107	75%	0.748	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	17.9	-175.5	51.6	0	0	0	0	115.6	N821	N821-S823 PolarHBondContact O-N 3.35Å
824	M	28.2	Very low	50.5	Low	117 Å²	117	99.3 Å²	99.3	58%	0.576	53%	0.534	S	S	*	.			trans	-115.3	12.5	-171.6	-95.2	-76.3	-171.4	0	0	115.8	N821 N826	N821-M824 HydrophobicContact CB-CB 4.17Å; N821-M824 HydrophobicContact CB-CG 4.33Å; M824-N826 PolarHBondContact O-N 2.93Å
825	M	29.8	Very low	53.7	Low	174 Å²	174	91.7 Å²	91.7	86%	0.857	50%	0.498	S	S	*	.			trans	-75.8	60.6	176	-64.3	-171.2	75.2	0	0	112.6	S827	M825-S827 PolarHBondContact O-N 2.83Å
826	N	30.4	Very low	57	Low	114 Å²	114	85.7 Å²	85.7	61%	0.61	46%	0.461	S	S	*	.			trans	-66.7	99.6	177.9	-82.6	-41.1	0	0	0	111.6	M824 H828	M824-N826 PolarHBondContact O-N 2.93Å; N826-H828 PolarHBondContact O-N 3.37Å; N826-H828 VanDerWaalsContact O-N 3.1Å; N826-H828 PolarHBondContact O-ND1 2.87Å
827	S	44	Very low	60	Low	105 Å²	105	80.5 Å²	80.5	73%	0.734	44%	0.437	S	S	*	.			trans	24.3	73.8	158	65.4	0	0	0	0	115	M825 D829	M825-S827 PolarHBondContact O-N 2.83Å; S827-D829 PolarHBondContact O-N 3.2Å
828	H	64.4	Low	63.1	Low	140 Å²	140	75.8 Å²	75.8	65%	0.648	41%	0.414	S	S	*	.			trans	-70.5	131.6	174.1	-68.7	-3.4	0	0	0	110	N826 L830	N826-H828 PolarHBondContact O-N 3.37Å; N826-H828 VanDerWaalsContact O-N 3.1Å; N826-H828 PolarHBondContact O-ND1 2.87Å; H828-L830 PolarHBondContact O-N 3.45Å
829	D	78.3	Confident	66	Low	55 Å²	55	70.2 Å²	70.2	29%	0.294	39%	0.385	S	S	.	.			trans	-65.6	116.8	-178.1	-85.8	-61.1	0	0	0	111	S827 L831 N845 K848 Y894	S827-D829 PolarHBondContact O-N 3.2Å; D829-L831 HydrophobicContact CB-CD2 4.36Å; D829-L831 PolarHBondContact O-N 2.8Å; D829-L831 VanDerWaalsContact O-N 3.14Å; D829-N845 WeakPolarHBondContact CB-ND2 3.34Å; D829-N845 PolarHBondContact OD1-ND2 3.38Å; D829-K848 WeakPolarHBondContact OD1-CE 3.32Å; D829-K848 IonicContact OD1-NZ 3.15Å; D829-K848 PolarHBondContact OD1-NZ 2.85Å; D829-K848 IonicContact OD2-NZ 3.2Å; D829-K848 PolarHBondContact OD2-NZ 3.38Å; D829-Y894 HydrophobicContact CB-CE2 4.21Å; D829-Y894 VanDerWaalsContact CG-OH 3.29Å; D829-Y894 PolarHBondContact OD2-OH 2.77Å
830	L	91.3	Very high	69.3	Low	23 Å²	23	65.4 Å²	65.4	12%	0.12	35%	0.354	C	S	.	.			trans	-75.6	101.8	177.5	-180	59.1	0	0	0	110.2	H741 F781 H828 C846 L847	H741-L830 WeakPolarHBondContact NE2-CD1 3.45Å; F781-L830 HydrophobicContact CD1-CD1 3.54Å; F781-L830 HydrophobicContact CD1-CG 4.11Å; F781-L830 HydrophobicContact CE1-CD1 3.79Å; F781-L830 HydrophobicContact CE1-CD2 4.01Å; F781-L830 HydrophobicContact CE1-CG 3.92Å; H828-L830 PolarHBondContact O-N 3.45Å; L830-C846 HydrophobicContact CB-CB 4.17Å; L830-C846 HydrophobicContact CD2-CB 3.77Å; L830-C846 HydrophobicContact CG-CB 3.86Å; L830-C846 PolarHBondContact O-N 3.07Å; L830-L847 HydrophobicContact CB-CD1 4.36Å; L830-L847 HydrophobicContact CB-CG 4.07Å
831	L	95.8	Very high	72.6	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	141.5	179.1	-55.8	-176	0	0	0	111.8	Y782 D829 V843 F844 N845 I852 G893 Y894	Y782-L831 PolarHBondContact N-O 3.3Å; D829-L831 HydrophobicContact CB-CD2 4.36Å; D829-L831 PolarHBondContact O-N 2.8Å; D829-L831 VanDerWaalsContact O-N 3.14Å; L831-V843 HydrophobicContact CB-CG1 4.34Å; L831-F844 WeakPolarHBondContact CA-O 3.46Å; L831-N845 HydrophobicContact CD2-CB 3.79Å; L831-I852 HydrophobicContact CD2-CG1 4.08Å; L831-G893 WeakPolarHBondContact CD1-O 3.29Å; L831-Y894 HydrophobicContact CD1-CD2 3.96Å; L831-Y894 HydrophobicContact CD1-CE2 3.85Å; L831-Y894 HydrophobicContact CD2-CE2 4.31Å; L831-Y894 HydrophobicContact CG-CE2 4.49Å
832	V	97.2	Very high	75.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.7	173.4	68.8	0	0	0	0	109.7	I748 A779 A780 F781 L834 V843 F844 C846	I748-V832 HydrophobicContact CD1-CG1 4.05Å; I748-V832 HydrophobicContact CD1-CG2 4.24Å; I748-V832 HydrophobicContact CG2-CG2 4.32Å; A779-V832 HydrophobicContact CB-CG2 4.25Å; A780-V832 CarbonylContact O-C 3.57Å; A780-V832 WeakPolarHBondContact O-CA 3.41Å; A780-V832 WeakPolarHBondContact O-CG2 3.45Å; F781-V832 HydrophobicContact CD1-CB 3.98Å; F781-V832 HydrophobicContact CD1-CG2 4.19Å; F781-V832 HydrophobicContact CE1-CB 4.11Å; F781-V832 HydrophobicContact CE1-CG2 4.31Å; F781-V832 HydrophobicContact CG-CG2 4.34Å; V832-L834 HydrophobicContact CG1-CD2 4.11Å; V832-L834 HydrophobicContact CG1-CG 4.32Å; V832-L834 HydrophobicContact CG2-CD2 4.14Å; V832-V843 WeakPolarHBondContact O-CA 3.48Å; V832-F844 HydrophobicContact CG1-CB 3.96Å; V832-F844 HydrophobicContact CG1-CD1 4.19Å; V832-F844 PolarHBondContact N-O 2.65Å; V832-F844 PolarHBondContact O-N 2.9Å; V832-C846 VanDerWaalsContact CG1-SG 3.56Å
833	V	98.4	Very high	78.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	139.1	166.3	64.7	0	0	0	0	109.4	A779 A780 W841 L842 V843 V866 Y868 L875	A779-V833 CarbonylContact C-O 3.5Å; A779-V833 WeakPolarHBondContact CA-O 3.38Å; A779-V833 WeakPolarHBondContact CB-O 3.29Å; A780-V833 HydrophobicContact CB-CG1 3.92Å; A780-V833 PolarHBondContact N-O 3.47Å; A780-V833 WeakPolarHBondContact O-CG1 3.43Å; A780-V833 PolarHBondContact O-N 2.63Å; V833-W841 HydrophobicContact CG2-CE3 3.79Å; V833-W841 HydrophobicContact CG2-CZ3 4.33Å; V833-L842 CarbonylContact C-O 3.59Å; V833-L842 VanDerWaalsContact CA-O 3.3Å; V833-L842 WeakPolarHBondContact CA-O 3.27Å; V833-L842 WeakPolarHBondContact CG2-O 3.34Å; V833-V843 HydrophobicContact CB-CG2 4.44Å; V833-V843 HydrophobicContact CG2-CG2 4.37Å; V833-V866 HydrophobicContact CG1-CB 4.16Å; V833-V866 HydrophobicContact CG1-CG2 3.87Å; V833-Y868 HydrophobicContact CB-CE2 4.12Å; V833-Y868 HydrophobicContact CG1-CD2 4.37Å; V833-Y868 HydrophobicContact CG1-CE2 3.59Å; V833-L875 HydrophobicContact CG1-CD1 4.04Å; V833-L875 HydrophobicContact CG2-CD2 4.16Å
834	L	98.5	Very high	82.1	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	120.4	179.2	-54.1	173	0	0	0	108.8	V756 F772 I776 A779 V832 W841 L842 F844	V756-L834 HydrophobicContact CG1-CD2 4.45Å; V756-L834 HydrophobicContact CG2-CD1 4.14Å; F772-L834 HydrophobicContact CE1-CD1 3.93Å; F772-L834 HydrophobicContact CE2-CD1 4.45Å; F772-L834 HydrophobicContact CZ-CD1 3.84Å; I776-L834 HydrophobicContact CD1-CB 4.34Å; I776-L834 HydrophobicContact CG2-CB 4.28Å; I776-L834 HydrophobicContact CG2-CD2 4.36Å; A779-L834 HydrophobicContact CB-CD2 3.81Å; V832-L834 HydrophobicContact CG1-CD2 4.11Å; V832-L834 HydrophobicContact CG1-CG 4.32Å; V832-L834 HydrophobicContact CG2-CD2 4.14Å; L834-W841 CarbonylContact O-C 3.6Å; L834-W841 VanDerWaalsContact O-CA 3.24Å; L834-W841 WeakPolarHBondContact O-CA 3.42Å; L834-W841 WeakPolarHBondContact O-CB 3.49Å; L834-L842 HydrophobicContact CB-CB 4.43Å; L834-L842 PolarHBondContact N-O 3.23Å; L834-L842 PolarHBondContact O-N 3.02Å; L834-F844 HydrophobicContact CD1-CB 4.16Å
835	G	98.2	Very high	85.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	139.7	173.8	0	0	0	0	0	111.6	H777 C778	H777-G835 PolarHBondContact N-O 2.74Å; C778-G835 PolarHBondContact N-O 2.96Å; C778-G835 PolarHBondContact O-N 3.08Å
836	T	97.9	Very high	88.4	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	168.2	-172.3	71.7	0	0	0	0	112.9	D774 A775 I776 T838 R840 I863	D774-T836 HydrophobicContact CB-CG2 3.66Å; A775-T836 VanDerWaalsContact O-CA 3.22Å; A775-T836 WeakPolarHBondContact O-CA 3.33Å; A775-T836 WeakPolarHBondContact O-CB 3.47Å; I776-T836 HydrophobicContact CD1-CG2 3.89Å; T836-T838 PolarHBondContact O-N 3.49Å; T836-T838 PolarHBondContact OG1-N 2.89Å; T836-T838 PolarHBondContact OG1-OG1 3.44Å; T836-R840 WeakPolarHBondContact CB-O 3.25Å; T836-R840 HydrophobicContact CG2-CB 4.23Å; T836-R840 HydrophobicContact CG2-CG 4.49Å; T836-R840 WeakPolarHBondContact CG2-O 3.14Å; T836-R840 PolarHBondContact N-O 3.48Å; T836-R840 WeakPolarHBondContact OG1-CA 3.46Å; T836-R840 WeakPolarHBondContact OG1-CB 3.31Å; T836-R840 PolarHBondContact OG1-N 2.99Å; T836-R840 PolarHBondContact OG1-O 3.02Å; T836-I863 PolarHBondContact O-N 3.38Å
837	S	94.2	Very high	91.2	Very high	45 Å²	45	29.2 Å²	29.2	32%	0.315	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-7.8	170.6	66.4	0	0	0	0	115.1	A775	A775-S837 PolarHBondContact O-N 3.07Å; A775-S837 VanDerWaalsContact O-N 3.1Å
838	T	95.4	Very high	93.5	Very high	61 Å²	61	29.4 Å²	29.4	37%	0.374	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	15.2	-172	56.9	0	0	0	0	113.4	D774 T836 R840 G860	D774-T838 PolarHBondContact OD1-OG1 3.05Å; T836-T838 PolarHBondContact O-N 3.49Å; T836-T838 PolarHBondContact OG1-N 2.89Å; T836-T838 PolarHBondContact OG1-OG1 3.44Å; T838-R840 PolarHBondContact O-N 2.85Å; T838-G860 CarbonylContact C-O 3.37Å
839	G	95	Very high	94.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	71.2	-8.3	-173.4	0	0	0	0	0	114.2	D857 E861	G839-D857 CarbonylContact C-O 3.6Å; G839-D857 VanDerWaalsContact CA-O 3.31Å; G839-D857 WeakPolarHBondContact CA-O 3.22Å; G839-D857 CarbonylContact O-C 3.53Å; G839-D857 PolarHBondContact O-N 3Å; G839-E861 WeakPolarHBondContact CA-O 3.26Å; G839-E861 PolarHBondContact N-O 3.15Å; G839-E861 VanDerWaalsContact N-O 3.15Å
840	R	97.2	Very high	95.6	Very high	68 Å²	68	27.8 Å²	27.8	26%	0.257	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	146.5	170.6	-177.9	-177.7	-174.4	170.2	4	110.4	T773 D774 T836 T838 H855	T773-R840 PolarHBondContact OG1-NH1 2.94Å; D774-R840 WeakPolarHBondContact OD2-CD 3.17Å; D774-R840 IonicContact OD2-CZ 3.89Å; D774-R840 IonicContact OD2-NE 3.13Å; D774-R840 IonicContact OD2-NH1 3.77Å; D774-R840 PolarHBondContact OD2-NH1 2.93Å; T836-R840 WeakPolarHBondContact CB-O 3.25Å; T836-R840 HydrophobicContact CG2-CB 4.23Å; T836-R840 HydrophobicContact CG2-CG 4.49Å; T836-R840 WeakPolarHBondContact CG2-O 3.14Å; T836-R840 PolarHBondContact N-O 3.48Å; T836-R840 WeakPolarHBondContact OG1-CA 3.46Å; T836-R840 WeakPolarHBondContact OG1-CB 3.31Å; T836-R840 PolarHBondContact OG1-N 2.99Å; T836-R840 PolarHBondContact OG1-O 3.02Å; T838-R840 PolarHBondContact O-N 2.85Å; R840-H855 WeakPolarHBondContact CA-O 3.45Å; R840-H855 WeakPolarHBondContact CG-O 3.49Å
841	W	98.1	Very high	95.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	152.3	165.6	60.9	-86.3	0	0	0	111	V833 L834 V843 H855 D857 L875 L877 Y887 Y896	V833-W841 HydrophobicContact CG2-CE3 3.79Å; V833-W841 HydrophobicContact CG2-CZ3 4.33Å; L834-W841 CarbonylContact O-C 3.6Å; L834-W841 VanDerWaalsContact O-CA 3.24Å; L834-W841 WeakPolarHBondContact O-CA 3.42Å; L834-W841 WeakPolarHBondContact O-CB 3.49Å; W841-V843 HydrophobicContact CE3-CG2 4.3Å; W841-V843 HydrophobicContact CZ3-CG2 3.88Å; W841-H855 HydrophobicContact CD2-CB 3.8Å; W841-H855 AromaticContact CE2-CG 3.91Å; W841-H855 HydrophobicContact CE3-CB 4.39Å; W841-H855 HydrophobicContact CG-CB 4.28Å; W841-H855 HydrophobicContact CH2-CB 4.15Å; W841-H855 AromaticContact CH2-CD2 3.28Å; W841-H855 WeakPolarHBondContact CH2-CD2 3.38Å; W841-H855 AromaticContact CH2-CG 3.82Å; W841-H855 AromaticContact CH2-NE2 3.95Å; W841-H855 HydrophobicContact CZ2-CB 3.5Å; W841-H855 VanDerWaalsContact CZ2-CB 3.5Å; W841-H855 AromaticContact CZ2-CD2 3.55Å; W841-H855 AromaticContact CZ2-CG 3.57Å; W841-H855 AromaticContact CZ3-CD2 3.58Å; W841-H855 PolarHBondContact N-O 2.93Å; W841-H855 PolarHBondContact O-N 3.32Å; W841-H855 VanDerWaalsContact O-O 3.12Å; W841-D857 PolarHBondContact NE1-OD2 2.71Å; W841-L875 HydrophobicContact CE3-CD2 4.35Å; W841-L875 HydrophobicContact CH2-CD2 4Å; W841-L875 HydrophobicContact CZ3-CD2 3.74Å; W841-L877 HydrophobicContact CD2-CD1 3.84Å; W841-L877 HydrophobicContact CG-CD1 3.96Å; W841-L877 HydrophobicContact CZ2-CD1 3.9Å; W841-Y887 HydrophobicContact CH2-CD1 4.39Å; W841-Y887 HydrophobicContact CH2-CE1 4.36Å; W841-Y887 HydrophobicContact CH2-CG 4.48Å; W841-Y887 HydrophobicContact CZ2-CD1 4.22Å; W841-Y887 HydrophobicContact CZ2-CD2 4.01Å; W841-Y887 AromaticContact CZ2-CE1 3.85Å; W841-Y887 HydrophobicContact CZ2-CE1 3.85Å; W841-Y887 AromaticContact CZ2-CE2 3.65Å; W841-Y887 HydrophobicContact CZ2-CE2 3.65Å; W841-Y887 HydrophobicContact CZ2-CG 4.28Å; W841-Y887 AromaticContact CZ2-CZ 3.54Å; W841-Y896 AromaticContact CH2-CD1 3.82Å; W841-Y896 HydrophobicContact CH2-CD1 3.82Å; W841-Y896 HydrophobicContact CH2-CD2 4.48Å; W841-Y896 AromaticContact CH2-CG 3.79Å; W841-Y896 HydrophobicContact CH2-CG 3.79Å; W841-Y896 HydrophobicContact CZ3-CD1 4.11Å; W841-Y896 HydrophobicContact CZ3-CE1 4.45Å; W841-Y896 HydrophobicContact CZ3-CG 4.19Å
842	L	97.7	Very high	95.8	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	149.5	-171.1	-65.7	175.7	0	0	0	110	F772 V833 L834 I851 A853 A854	F772-L842 HydrophobicContact CD1-CD1 3.82Å; F772-L842 HydrophobicContact CE1-CD1 4.1Å; V833-L842 CarbonylContact C-O 3.59Å; V833-L842 VanDerWaalsContact CA-O 3.3Å; V833-L842 WeakPolarHBondContact CA-O 3.27Å; V833-L842 WeakPolarHBondContact CG2-O 3.34Å; L834-L842 HydrophobicContact CB-CB 4.43Å; L834-L842 PolarHBondContact N-O 3.23Å; L834-L842 PolarHBondContact O-N 3.02Å; L842-I851 HydrophobicContact CD1-CD1 4.22Å; L842-I851 HydrophobicContact CD2-CG2 3.99Å; L842-A853 WeakPolarHBondContact CA-O 3.25Å; L842-A854 HydrophobicContact CD2-CB 3.49Å; L842-A854 VanDerWaalsContact CD2-CB 3.49Å
843	V	97.6	Very high	95.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.2	165.9	-177.9	0	0	0	0	108.2	L831 V832 V833 W841 I851 I852 A853 Y896	L831-V843 HydrophobicContact CB-CG1 4.34Å; V832-V843 WeakPolarHBondContact O-CA 3.48Å; V833-V843 HydrophobicContact CB-CG2 4.44Å; V833-V843 HydrophobicContact CG2-CG2 4.37Å; W841-V843 HydrophobicContact CE3-CG2 4.3Å; W841-V843 HydrophobicContact CZ3-CG2 3.88Å; V843-I851 CarbonylContact O-C 3.49Å; V843-I852 HydrophobicContact CG1-CB 4.47Å; V843-I852 PolarHBondContact O-N 2.86Å; V843-A853 HydrophobicContact CB-CB 4.1Å; V843-A853 HydrophobicContact CG2-CB 4.28Å; V843-A853 PolarHBondContact N-O 2.8Å; V843-A853 PolarHBondContact O-N 3.48Å; V843-Y896 HydrophobicContact CB-CE2 4.31Å; V843-Y896 HydrophobicContact CG1-CE2 4.36Å; V843-Y896 HydrophobicContact CG2-CD2 4.35Å; V843-Y896 HydrophobicContact CG2-CE1 4.4Å; V843-Y896 HydrophobicContact CG2-CE2 3.65Å
844	F	97.2	Very high	95.5	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.4	-171.7	-177.7	-102.1	0	0	0	110.4	W768 K770 F772 L831 V832 L834 Q849 E850 I851	W768-F844 HydrophobicContact CH2-CD1 4.11Å; W768-F844 AromaticContact CH2-CE1 3.48Å; W768-F844 HydrophobicContact CH2-CE1 3.48Å; W768-F844 VanDerWaalsContact CH2-CE1 3.48Å; W768-F844 HydrophobicContact CH2-CZ 4.35Å; W768-F844 HydrophobicContact CZ2-CD1 4.37Å; W768-F844 AromaticContact CZ2-CE1 3.68Å; W768-F844 HydrophobicContact CZ2-CE1 3.68Å; W768-F844 HydrophobicContact CZ3-CE1 4.16Å; K770-F844 HydrophobicContact CD-CE2 3.91Å; K770-F844 HydrophobicContact CD-CZ 3.71Å; F772-F844 HydrophobicContact CE1-CD2 4.1Å; F772-F844 HydrophobicContact CE1-CE2 4.44Å; F772-F844 AromaticContact CZ-CD2 3.7Å; F772-F844 HydrophobicContact CZ-CD2 3.7Å; F772-F844 AromaticContact CZ-CE2 3.79Å; F772-F844 HydrophobicContact CZ-CE2 3.79Å; F772-F844 HydrophobicContact CZ-CG 4.1Å; F772-F844 HydrophobicContact CZ-CZ 4.27Å; L831-F844 WeakPolarHBondContact CA-O 3.46Å; V832-F844 HydrophobicContact CG1-CB 3.96Å; V832-F844 HydrophobicContact CG1-CD1 4.19Å; V832-F844 PolarHBondContact N-O 2.65Å; V832-F844 PolarHBondContact O-N 2.9Å; L834-F844 HydrophobicContact CD1-CB 4.16Å; F844-Q849 WeakPolarHBondContact CE2-O 3.42Å; F844-Q849 VanDerWaalsContact CZ-CA 3.41Å; F844-Q849 HydrophobicContact CZ-CB 3.9Å; F844-Q849 HydrophobicContact CZ-CG 4.39Å; F844-E850 WeakPolarHBondContact CA-O 3.44Å; F844-E850 VanDerWaalsContact CD2-O 3.23Å; F844-E850 WeakPolarHBondContact CD2-O 3.47Å; F844-I851 HydrophobicContact CD2-CG1 4.07Å
845	N	95.4	Very high	95.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	113.8	173.5	-176.5	-53.3	0	0	0	109.4	D829 L831 L847 K848 Q849 E850 I852 Y894	D829-N845 WeakPolarHBondContact CB-ND2 3.34Å; D829-N845 PolarHBondContact OD1-ND2 3.38Å; L831-N845 HydrophobicContact CD2-CB 3.79Å; N845-L847 VanDerWaalsContact C-N 3.28Å; N845-L847 PolarHBondContact O-N 3.05Å; N845-L847 PolarHBondContact OD1-N 2.84Å; N845-K848 HydrophobicContact CB-CB 4.31Å; N845-K848 PolarHBondContact OD1-N 3.42Å; N845-Q849 WeakPolarHBondContact O-CA 3.05Å; N845-Q849 PolarHBondContact O-N 2.87Å; N845-E850 HydrophobicContact CB-CG 4.02Å; N845-E850 PolarHBondContact N-O 3.49Å; N845-E850 PolarHBondContact O-N 3.31Å; N845-I852 HydrophobicContact CB-CD1 4.02Å; N845-I852 HydrophobicContact CB-CG1 3.91Å; N845-Y894 PolarHBondContact ND2-OH 3.37Å
846	C	93.5	Very high	95.4	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.02	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-18.6	-173.4	-61.2	0	0	0	0	114	W768 L830 V832	W768-C846 HydrophobicContact CZ2-CB 3.93Å; W768-C846 PolarHBondContact NE1-O 3.46Å; L830-C846 HydrophobicContact CB-CB 4.17Å; L830-C846 HydrophobicContact CD2-CB 3.77Å; L830-C846 HydrophobicContact CG-CB 3.86Å; L830-C846 PolarHBondContact O-N 3.07Å; V832-C846 VanDerWaalsContact CG1-SG 3.56Å
847	L	90.7	Very high	95.3	Very high	109 Å²	109	43 Å²	43	57%	0.571	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-46.5	-179.8	-58.6	178.8	0	0	0	111.5	L830 N845 Q849	L830-L847 HydrophobicContact CB-CD1 4.36Å; L830-L847 HydrophobicContact CB-CG 4.07Å; N845-L847 VanDerWaalsContact C-N 3.28Å; N845-L847 PolarHBondContact O-N 3.05Å; N845-L847 PolarHBondContact OD1-N 2.84Å; L847-Q849 VanDerWaalsContact C-N 3.34Å
848	K	92.1	Very high	94.8	Very high	108 Å²	108	40.9 Å²	40.9	47%	0.47	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-13.9	178.2	-63	172.1	-173.9	151	0	112.8	D829 N845 E850 Y894	D829-K848 WeakPolarHBondContact OD1-CE 3.32Å; D829-K848 IonicContact OD1-NZ 3.15Å; D829-K848 PolarHBondContact OD1-NZ 2.85Å; D829-K848 IonicContact OD2-NZ 3.2Å; D829-K848 PolarHBondContact OD2-NZ 3.38Å; N845-K848 HydrophobicContact CB-CB 4.31Å; N845-K848 PolarHBondContact OD1-N 3.42Å; K848-E850 VanDerWaalsContact C-N 3.28Å; K848-E850 HydrophobicContact CB-CG 3.78Å; K848-E850 WeakPolarHBondContact CD-OE1 3.39Å; K848-E850 PolarHBondContact O-N 3.21Å; K848-Y894 PolarHBondContact NZ-OH 2.9Å
849	Q	92.2	Very high	94.7	Very high	75 Å²	75	45.3 Å²	45.3	35%	0.35	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	35.1	-175.5	-59.4	-171	2.5	0	0	114.7	K770 F844 N845 L847	K770-Q849 PolarHBondContact NZ-O 2.75Å; F844-Q849 WeakPolarHBondContact CE2-O 3.42Å; F844-Q849 VanDerWaalsContact CZ-CA 3.41Å; F844-Q849 HydrophobicContact CZ-CB 3.9Å; F844-Q849 HydrophobicContact CZ-CG 4.39Å; N845-Q849 WeakPolarHBondContact O-CA 3.05Å; N845-Q849 PolarHBondContact O-N 2.87Å; L847-Q849 VanDerWaalsContact C-N 3.34Å
850	E	94.5	Very high	94.5	Very high	87 Å²	87	47.5 Å²	47.5	41%	0.407	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	153.2	-177.7	63.2	-177.9	178.9	0	0	112.4	F844 N845 K848 I852	F844-E850 WeakPolarHBondContact CA-O 3.44Å; F844-E850 VanDerWaalsContact CD2-O 3.23Å; F844-E850 WeakPolarHBondContact CD2-O 3.47Å; N845-E850 HydrophobicContact CB-CG 4.02Å; N845-E850 PolarHBondContact N-O 3.49Å; N845-E850 PolarHBondContact O-N 3.31Å; K848-E850 VanDerWaalsContact C-N 3.28Å; K848-E850 HydrophobicContact CB-CG 3.78Å; K848-E850 WeakPolarHBondContact CD-OE1 3.39Å; K848-E850 PolarHBondContact O-N 3.21Å; E850-I852 HydrophobicContact CG-CD1 3.68Å; E850-I852 WeakPolarHBondContact OE1-CD1 3.31Å
851	I	95.7	Very high	94.5	Very high	82 Å²	82	47.3 Å²	47.3	42%	0.421	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	116	171.8	-62.9	172.4	0	0	0	107.7	F772 L842 V843 F844 A853	F772-I851 HydrophobicContact CD1-CD1 4.49Å; F772-I851 HydrophobicContact CE1-CD1 4.19Å; F772-I851 HydrophobicContact CE1-CG1 4.29Å; L842-I851 HydrophobicContact CD1-CD1 4.22Å; L842-I851 HydrophobicContact CD2-CG2 3.99Å; V843-I851 CarbonylContact O-C 3.49Å; F844-I851 HydrophobicContact CD2-CG1 4.07Å; I851-A853 WeakPolarHBondContact CG2-O 3.5Å
852	I	94.8	Very high	94.4	Very high	41 Å²	41	48.4 Å²	48.4	21%	0.21	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-42.4	-179.8	-58.7	-55.5	0	0	0	111.2	L831 V843 N845 E850 Y894	L831-I852 HydrophobicContact CD2-CG1 4.08Å; V843-I852 HydrophobicContact CG1-CB 4.47Å; V843-I852 PolarHBondContact O-N 2.86Å; N845-I852 HydrophobicContact CB-CD1 4.02Å; N845-I852 HydrophobicContact CB-CG1 3.91Å; E850-I852 HydrophobicContact CG-CD1 3.68Å; E850-I852 WeakPolarHBondContact OE1-CD1 3.31Å; I852-Y894 HydrophobicContact CD1-CD1 4.49Å; I852-Y894 HydrophobicContact CD1-CE1 3.71Å; I852-Y894 HydrophobicContact CG1-CE1 4.16Å; I852-Y894 HydrophobicContact CG2-CD1 3.46Å; I852-Y894 VanDerWaalsContact CG2-CD1 3.46Å; I852-Y894 HydrophobicContact CG2-CE1 3.77Å; I852-Y894 HydrophobicContact CG2-CG 4.11Å
853	A	94.3	Very high	94.4	Very high	16 Å²	16	48.3 Å²	48.3	13%	0.132	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	150.8	-179.7	0	0	0	0	0	111.3	L842 V843 I851 Y896	L842-A853 WeakPolarHBondContact CA-O 3.25Å; V843-A853 HydrophobicContact CB-CB 4.1Å; V843-A853 HydrophobicContact CG2-CB 4.28Å; V843-A853 PolarHBondContact N-O 2.8Å; V843-A853 PolarHBondContact O-N 3.48Å; I851-A853 WeakPolarHBondContact CG2-O 3.5Å; A853-Y896 HydrophobicContact CB-CD2 4.19Å; A853-Y896 HydrophobicContact CB-CE2 4.41Å
854	A	96.1	Very high	94.4	Very high	56 Å²	56	49.3 Å²	49.3	46%	0.463	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	129.1	176.6	0	0	0	0	0	109.7	L842	L842-A854 HydrophobicContact CD2-CB 3.49Å; L842-A854 VanDerWaalsContact CD2-CB 3.49Å
855	H	97.1	Very high	94.5	Very high	54 Å²	54	50.1 Å²	50.1	25%	0.25	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	167.8	-173.3	-63.9	-77.9	0	0	0	110.3	R840 W841	R840-H855 WeakPolarHBondContact CA-O 3.45Å; R840-H855 WeakPolarHBondContact CG-O 3.49Å; W841-H855 HydrophobicContact CD2-CB 3.8Å; W841-H855 AromaticContact CE2-CG 3.91Å; W841-H855 HydrophobicContact CE3-CB 4.39Å; W841-H855 HydrophobicContact CG-CB 4.28Å; W841-H855 HydrophobicContact CH2-CB 4.15Å; W841-H855 AromaticContact CH2-CD2 3.28Å; W841-H855 WeakPolarHBondContact CH2-CD2 3.38Å; W841-H855 AromaticContact CH2-CG 3.82Å; W841-H855 AromaticContact CH2-NE2 3.95Å; W841-H855 HydrophobicContact CZ2-CB 3.5Å; W841-H855 VanDerWaalsContact CZ2-CB 3.5Å; W841-H855 AromaticContact CZ2-CD2 3.55Å; W841-H855 AromaticContact CZ2-CG 3.57Å; W841-H855 AromaticContact CZ3-CD2 3.58Å; W841-H855 PolarHBondContact N-O 2.93Å; W841-H855 PolarHBondContact O-N 3.32Å; W841-H855 VanDerWaalsContact O-O 3.12Å
856	S	96.4	Very high	94.6	Very high	85 Å²	85	50.9 Å²	50.9	59%	0.594	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.2	137.8	177.3	-57	0	0	0	0	111.3
857	D	95.2	Very high	94.8	Very high	11 Å²	11	51.5 Å²	51.5	6%	0.059	29%	0.289	C	S	.	.			trans	-146.4	-166.2	-178.6	-84.3	-56.7	0	0	0	110.2	G839 W841 L859 G860 I863 Y885 Y887 R898	G839-D857 CarbonylContact C-O 3.6Å; G839-D857 VanDerWaalsContact CA-O 3.31Å; G839-D857 WeakPolarHBondContact CA-O 3.22Å; G839-D857 CarbonylContact O-C 3.53Å; G839-D857 PolarHBondContact O-N 3Å; W841-D857 PolarHBondContact NE1-OD2 2.71Å; D857-L859 PolarHBondContact O-N 2.98Å; D857-G860 PolarHBondContact O-N 2.77Å; D857-I863 HydrophobicContact CB-CD1 4.4Å; D857-Y885 HydrophobicContact CB-CD1 4.26Å; D857-Y885 HydrophobicContact CB-CD2 3.98Å; D857-Y885 HydrophobicContact CB-CE1 4.26Å; D857-Y885 HydrophobicContact CB-CE2 3.98Å; D857-Y885 HydrophobicContact CB-CG 4.1Å; D857-Y885 WeakPolarHBondContact OD1-CD1 3.38Å; D857-Y885 WeakPolarHBondContact OD1-CE1 3.4Å; D857-Y887 PolarHBondContact OD2-OH 2.96Å; D857-R898 IonicContact OD1-CZ 2.67Å; D857-R898 IonicContact OD1-NH1 3.13Å; D857-R898 PolarHBondContact OD1-NH1 3.23Å; D857-R898 IonicContact OD1-NH2 2.74Å; D857-R898 PolarHBondContact OD1-NH2 2.98Å; D857-R898 IonicContact OD2-CZ 2.93Å; D857-R898 IonicContact OD2-NH2 2.66Å; D857-R898 PolarHBondContact OD2-NH2 3.1Å; D857-R898 VanDerWaalsContact OD2-NH2 3.13Å
858	G	85.2	Confident	95.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	64.1	8.8	175.5	0	0	0	0	0	115.7	G860 E861 S879 Y885	G858-G860 PolarHBondContact O-N 3.2Å; G858-G860 VanDerWaalsContact O-N 3.11Å; G858-E861 WeakPolarHBondContact O-CB 3.47Å; G858-E861 WeakPolarHBondContact O-CG 3.42Å; G858-E861 PolarHBondContact O-N 3.43Å; G858-S879 WeakPolarHBondContact CA-OG 3.45Å; G858-Y885 PolarHBondContact N-OH 2.69Å
859	L	91.7	Very high	95.4	Very high	154 Å²	154	42.2 Å²	42.2	81%	0.806	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	54.2	26.8	-173.5	-56.6	174.8	0	0	0	114	D857	D857-L859 PolarHBondContact O-N 2.98Å
860	G	91.8	Very high	95.5	Very high	46 Å²	46	41.1 Å²	41.1	47%	0.474	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	92.5	-6.6	-175.2	0	0	0	0	0	114.8	T838 D857 G858	T838-G860 CarbonylContact C-O 3.37Å; D857-G860 PolarHBondContact O-N 2.77Å; G858-G860 PolarHBondContact O-N 3.2Å; G858-G860 VanDerWaalsContact O-N 3.11Å
861	E	96.3	Very high	95.4	Very high	64 Å²	64	40.1 Å²	40.1	30%	0.299	24%	0.24	S	C	.	.	S	Bend	trans	-78	152.3	171.1	-53.6	-69	159.1	0	0	111.1	K330 G839 G858 R880 D881	K330-E861 VanDerWaalsContact CE-OE1 3.23Å; K330-E861 WeakPolarHBondContact CE-OE1 3.29Å; K330-E861 IonicContact NZ-OE1 3.97Å; K330-E861 PolarHBondContact NZ-OE1 3.48Å; G839-E861 WeakPolarHBondContact CA-O 3.26Å; G839-E861 PolarHBondContact N-O 3.15Å; G839-E861 VanDerWaalsContact N-O 3.15Å; G858-E861 WeakPolarHBondContact O-CB 3.47Å; G858-E861 WeakPolarHBondContact O-CG 3.42Å; G858-E861 PolarHBondContact O-N 3.43Å; E861-R880 HydrophobicContact CB-CB 4.05Å; E861-D881 HydrophobicContact CG-CB 4.31Å
862	Q	96.9	Very high	95.4	Very high	23 Å²	23	36.3 Å²	36.3	11%	0.107	22%	0.221	C	C	.	.			trans	-51.3	139.8	-178.9	178.7	164.3	-72.1	0	0	113.9	H777 E864 S879 R880	H777-Q862 HydrophobicContact CB-CG 4.16Å; H777-Q862 PolarHBondContact CD2-NE2 3.18Å; H777-Q862 VanDerWaalsContact CG-CD 3.47Å; H777-Q862 PolarHBondContact ND1-NE2 2.72Å; Q862-E864 PolarHBondContact NE2-OE2 3.14Å; Q862-S879 WeakPolarHBondContact O-CA 3.26Å; Q862-S879 PolarHBondContact O-OG 3.14Å; Q862-R880 HydrophobicContact CB-CG 4.17Å; Q862-R880 PolarHBondContact O-N 3.04Å
863	I	98.3	Very high	95.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	113.5	164	-50.8	-55.9	0	0	0	107.2	H777 C778 T836 D857 V866 L877 G878	H777-I863 PolarHBondContact CD2-O 2.62Å; C778-I863 PolarHBondContact SG-O 2.95Å; T836-I863 PolarHBondContact O-N 3.38Å; D857-I863 HydrophobicContact CB-CD1 4.4Å; I863-V866 HydrophobicContact CG2-CG1 3.58Å; I863-L877 HydrophobicContact CG2-CB 4.3Å; I863-G878 CarbonylContact C-O 3.24Å
864	E	97.3	Very high	95.6	Very high	21 Å²	21	38.7 Å²	38.7	10%	0.098	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-43.7	-172.1	-157	72.2	173.3	0	0	112	H777 C778 Q862 G878 R880 I909	H777-E864 PolarHBondContact CD2-O 3.04Å; H777-E864 IonicContact CD2-OE2 3.25Å; C778-E864 VanDerWaalsContact CB-O 3.29Å; C778-E864 WeakPolarHBondContact CB-O 3.29Å; Q862-E864 PolarHBondContact NE2-OE2 3.14Å; E864-G878 PolarHBondContact N-O 3.34Å; E864-R880 IonicContact OE1-CZ 3.42Å; E864-R880 IonicContact OE1-NE 2.59Å; E864-R880 PolarHBondContact OE1-NE 2.99Å; E864-R880 IonicContact OE1-NH2 3.8Å; E864-R880 PolarHBondContact OE1-NH2 3.26Å; E864-R880 IonicContact OE2-CZ 2.63Å; E864-R880 IonicContact OE2-NE 3.47Å; E864-R880 PolarHBondContact OE2-NE 3.24Å; E864-R880 IonicContact OE2-NH2 2.95Å; E864-R880 PolarHBondContact OE2-NH2 3.26Å; E864-I909 WeakPolarHBondContact CB-O 3.26Å; E864-I909 WeakPolarHBondContact CG-O 3.4Å
865	C	98.1	Very high	95.6	Very high	18 Å²	18	36 Å²	36	12%	0.122	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	146.7	-176.7	62.6	0	0	0	0	111.2	G878	C865-G878 PolarHBondContact N-O 3.35Å; C865-G878 PolarHBondContact O-N 3.38Å
866	V	98.3	Very high	95.7	Very high	16 Å²	16	33.4 Å²	33.4	10%	0.097	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	138.5	179.8	-64.6	0	0	0	0	110	C778 A779 A780 V833 I863 A876 L877	C778-V866 HydrophobicContact CB-CG2 4.32Å; A779-V866 VanDerWaalsContact C-CG2 3.45Å; A780-V866 HydrophobicContact CB-CG2 4.07Å; V833-V866 HydrophobicContact CG1-CB 4.16Å; V833-V866 HydrophobicContact CG1-CG2 3.87Å; I863-V866 HydrophobicContact CG2-CG1 3.58Å; V866-A876 WeakPolarHBondContact CA-O 3.48Å; V866-L877 HydrophobicContact CB-CD2 4.04Å; V866-L877 HydrophobicContact CG1-CB 4.48Å; V866-L877 HydrophobicContact CG1-CD2 3.4Å; V866-L877 VanDerWaalsContact CG1-CD2 3.4Å
867	A	98.2	Very high	95.8	Very high	16 Å²	16	29.4 Å²	29.4	13%	0.132	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	129.5	179.7	0	0	0	0	0	111.7	A876 I912 W914	A867-A876 PolarHBondContact N-O 2.85Å; A867-A876 PolarHBondContact O-N 3.04Å; A867-I912 HydrophobicContact CB-CG2 4.2Å; A867-W914 PolarHBondContact O-NE1 2.82Å
868	Y	97.8	Very high	96	Very high	20 Å²	20	28.9 Å²	28.9	8%	0.078	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	151.5	165.4	-69.3	-82.1	0	0	0	110.8	A780 F781 Y782 V833 Y874 L875 V889 Y896 W914	A780-Y868 HydrophobicContact CB-CD2 4.18Å; A780-Y868 HydrophobicContact CB-CE2 4.47Å; F781-Y868 WeakPolarHBondContact O-CD2 3.31Å; Y782-Y868 AromaticContact CD2-CD1 3.94Å; Y782-Y868 HydrophobicContact CD2-CD1 3.94Å; Y782-Y868 AromaticContact CD2-CE1 3.68Å; Y782-Y868 HydrophobicContact CD2-CE1 3.68Å; Y782-Y868 HydrophobicContact CD2-CG 4.48Å; Y782-Y868 AromaticContact CD2-CZ 4Å; Y782-Y868 HydrophobicContact CE2-CD1 4.46Å; Y782-Y868 HydrophobicContact CE2-CE1 4.39Å; V833-Y868 HydrophobicContact CB-CE2 4.12Å; V833-Y868 HydrophobicContact CG1-CD2 4.37Å; V833-Y868 HydrophobicContact CG1-CE2 3.59Å; Y868-Y874 CarbonylContact C-O 3.52Å; Y868-Y874 VanDerWaalsContact CA-O 3.3Å; Y868-Y874 WeakPolarHBondContact CA-O 3Å; Y868-L875 HydrophobicContact CD1-CB 3.94Å; Y868-L875 HydrophobicContact CD1-CD1 4.14Å; Y868-L875 HydrophobicContact CD2-CD1 4.47Å; Y868-L875 HydrophobicContact CE1-CB 4Å; Y868-L875 HydrophobicContact CE1-CD1 4.13Å; Y868-L875 HydrophobicContact CE1-CD2 4.19Å; Y868-L875 HydrophobicContact CE1-CG 4.33Å; Y868-L875 HydrophobicContact CE2-CD1 4.47Å; Y868-L875 HydrophobicContact CG-CD1 4.31Å; Y868-V889 HydrophobicContact CD1-CG2 4.13Å; Y868-V889 HydrophobicContact CE1-CG1 4.29Å; Y868-V889 HydrophobicContact CE1-CG2 4.04Å; Y868-Y896 HydrophobicContact CE1-CE1 4.09Å; Y868-Y896 PolarHBondContact OH-OH 3.16Å; Y868-Y896 VanDerWaalsContact OH-OH 3.08Å; Y868-W914 PolarHBondContact O-NE1 2.8Å
869	S	97.2	Very high	96.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	16%	0.164	C	C	.	.			trans	-67.5	155.2	165.8	57.9	0	0	0	0	110.7	D871 G872 N873 Y874	S869-D871 VanDerWaalsContact CB-OD1 3.29Å; S869-D871 WeakPolarHBondContact CB-OD1 3.46Å; S869-D871 PolarHBondContact O-N 3.27Å; S869-D871 VanDerWaalsContact O-N 3.14Å; S869-D871 PolarHBondContact OG-OD1 3.36Å; S869-G872 PolarHBondContact O-N 3.35Å; S869-N873 PolarHBondContact OG-N 3.41Å; S869-Y874 PolarHBondContact N-O 3.14Å; S869-Y874 PolarHBondContact OG-N 3.34Å; S869-Y874 PolarHBondContact OG-O 2.87Å
870	P	95	Very high	96.9	Very high	53 Å²	53	25.3 Å²	25.3	34%	0.344	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.4	-174.5	-25.9	36.3	0	0	0	114.7	A953	P870-A953 HydrophobicContact CG-CB 3.51Å
871	D	92.7	Very high	97.1	Very high	66 Å²	66	24.4 Å²	24.4	35%	0.353	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.6	177	67	-10.9	0	0	0	114	S869 N873	S869-D871 VanDerWaalsContact CB-OD1 3.29Å; S869-D871 WeakPolarHBondContact CB-OD1 3.46Å; S869-D871 PolarHBondContact O-N 3.27Å; S869-D871 VanDerWaalsContact O-N 3.14Å; S869-D871 PolarHBondContact OG-OD1 3.36Å; D871-N873 VanDerWaalsContact C-N 3.26Å; D871-N873 VanDerWaalsContact CG-ND2 3.25Å; D871-N873 PolarHBondContact O-N 3.5Å; D871-N873 PolarHBondContact OD1-N 2.89Å; D871-N873 WeakPolarHBondContact OD2-CB 3.37Å; D871-N873 PolarHBondContact OD2-ND2 3.41Å
872	G	94.3	Very high	97.2	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.01	12%	0.123	C	C	.	.	S	Bend	trans	69.2	15.5	-177.1	0	0	0	0	0	115.1	Y782 P783 S869	Y782-G872 VanDerWaalsContact CE2-O 3.29Å; Y782-G872 WeakPolarHBondContact CE2-O 3.35Å; Y782-G872 PolarHBondContact OH-O 3.5Å; P783-G872 VanDerWaalsContact CG-CA 3.45Å; S869-G872 PolarHBondContact O-N 3.35Å
873	N	95.4	Very high	97.2	Very high	64 Å²	64	23.3 Å²	23.3	34%	0.342	12%	0.121	S	C	.	.	S	Bend	trans	-90.4	-16.7	178.6	-70	-46.8	0	0	0	113.7	S869 D871 V889	S869-N873 PolarHBondContact OG-N 3.41Å; D871-N873 VanDerWaalsContact C-N 3.26Å; D871-N873 VanDerWaalsContact CG-ND2 3.25Å; D871-N873 PolarHBondContact O-N 3.5Å; D871-N873 PolarHBondContact OD1-N 2.89Å; D871-N873 WeakPolarHBondContact OD2-CB 3.37Å; D871-N873 PolarHBondContact OD2-ND2 3.41Å; N873-V889 PolarHBondContact O-N 3.45Å
874	Y	97.5	Very high	97.3	Very high	43 Å²	43	23.3 Å²	23.3	17%	0.169	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	156.7	177.8	-63.2	-87.8	0	0	0	113.1	Y868 S869 V886 Y887 N888 V889 V899 W914	Y868-Y874 CarbonylContact C-O 3.52Å; Y868-Y874 VanDerWaalsContact CA-O 3.3Å; Y868-Y874 WeakPolarHBondContact CA-O 3Å; S869-Y874 PolarHBondContact N-O 3.14Å; S869-Y874 PolarHBondContact OG-N 3.34Å; S869-Y874 PolarHBondContact OG-O 2.87Å; Y874-V886 HydrophobicContact CD1-CG1 4.07Å; Y874-Y887 CarbonylContact C-O 3.6Å; Y874-Y887 WeakPolarHBondContact CA-O 3.49Å; Y874-N888 WeakPolarHBondContact CE1-OD1 3.47Å; Y874-V889 VanDerWaalsContact C-CG2 3.45Å; Y874-V899 HydrophobicContact CD1-CG2 4.16Å; Y874-V899 HydrophobicContact CE1-CG2 3.95Å; Y874-W914 HydrophobicContact CD2-CH2 4.47Å; Y874-W914 AromaticContact CG-CH2 3.93Å; Y874-W914 HydrophobicContact CG-CH2 3.93Å; Y874-W914 HydrophobicContact CG-CZ3 4.42Å
875	L	98.1	Very high	97.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	127.3	171.5	169.5	61.1	0	0	0	108.8	V833 W841 Y868 L877 V886 Y887 V889 Y896	V833-L875 HydrophobicContact CG1-CD1 4.04Å; V833-L875 HydrophobicContact CG2-CD2 4.16Å; W841-L875 HydrophobicContact CE3-CD2 4.35Å; W841-L875 HydrophobicContact CH2-CD2 4Å; W841-L875 HydrophobicContact CZ3-CD2 3.74Å; Y868-L875 HydrophobicContact CD1-CB 3.94Å; Y868-L875 HydrophobicContact CD1-CD1 4.14Å; Y868-L875 HydrophobicContact CD2-CD1 4.47Å; Y868-L875 HydrophobicContact CE1-CB 4Å; Y868-L875 HydrophobicContact CE1-CD1 4.13Å; Y868-L875 HydrophobicContact CE1-CD2 4.19Å; Y868-L875 HydrophobicContact CE1-CG 4.33Å; Y868-L875 HydrophobicContact CE2-CD1 4.47Å; Y868-L875 HydrophobicContact CG-CD1 4.31Å; L875-L877 HydrophobicContact CD1-CD2 3.86Å; L875-L877 HydrophobicContact CD2-CD2 4.03Å; L875-L877 HydrophobicContact CG-CD2 3.84Å; L875-L877 HydrophobicContact CG-CG 4.35Å; L875-V886 WeakPolarHBondContact O-CA 3.38Å; L875-Y887 PolarHBondContact N-O 3.02Å; L875-Y887 PolarHBondContact O-N 3.31Å; L875-V889 HydrophobicContact CB-CG2 3.6Å; L875-Y896 HydrophobicContact CB-CE1 4.48Å; L875-Y896 HydrophobicContact CD2-CD1 3.86Å; L875-Y896 HydrophobicContact CD2-CE1 3.65Å
876	A	98.6	Very high	97.3	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	138.3	172.9	0	0	0	0	0	110.7	V866 A867 I884 Y885 I912 W914 I921	V866-A876 WeakPolarHBondContact CA-O 3.48Å; A867-A876 PolarHBondContact N-O 2.85Å; A867-A876 PolarHBondContact O-N 3.04Å; A876-I884 HydrophobicContact CB-CG2 4.12Å; A876-Y885 CarbonylContact C-O 3.55Å; A876-Y885 WeakPolarHBondContact CA-O 3.27Å; A876-I912 HydrophobicContact CB-CD1 4.36Å; A876-I912 HydrophobicContact CB-CG2 4.1Å; A876-W914 HydrophobicContact CB-CZ2 3.64Å; A876-I921 HydrophobicContact CB-CD1 4.12Å
877	L	98.6	Very high	97.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	113.8	-179.6	-45.8	168.1	0	0	0	108.7	W841 I863 V866 L875 I884 Y885 Y887	W841-L877 HydrophobicContact CD2-CD1 3.84Å; W841-L877 HydrophobicContact CG-CD1 3.96Å; W841-L877 HydrophobicContact CZ2-CD1 3.9Å; I863-L877 HydrophobicContact CG2-CB 4.3Å; V866-L877 HydrophobicContact CB-CD2 4.04Å; V866-L877 HydrophobicContact CG1-CB 4.48Å; V866-L877 HydrophobicContact CG1-CD2 3.4Å; V866-L877 VanDerWaalsContact CG1-CD2 3.4Å; L875-L877 HydrophobicContact CD1-CD2 3.86Å; L875-L877 HydrophobicContact CD2-CD2 4.03Å; L875-L877 HydrophobicContact CG-CD2 3.84Å; L875-L877 HydrophobicContact CG-CG 4.35Å; L877-I884 CarbonylContact O-C 3.58Å; L877-I884 VanDerWaalsContact O-CA 3.28Å; L877-I884 WeakPolarHBondContact O-CA 3.44Å; L877-Y885 PolarHBondContact N-O 3.49Å; L877-Y885 PolarHBondContact O-N 3.36Å; L877-Y887 HydrophobicContact CD1-CD2 4.18Å; L877-Y887 HydrophobicContact CD1-CE2 4.06Å
878	G	98.4	Very high	97.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	132.6	174.6	0	0	0	0	0	110.9	I863 E864 C865	I863-G878 CarbonylContact C-O 3.24Å; E864-G878 PolarHBondContact N-O 3.34Å; C865-G878 PolarHBondContact N-O 3.35Å; C865-G878 PolarHBondContact O-N 3.38Å
879	S	98.2	Very high	97.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	158.7	-174.1	178.1	0	0	0	0	113.4	G858 Q862 D881 N882 V883 I909	G858-S879 WeakPolarHBondContact CA-OG 3.45Å; Q862-S879 WeakPolarHBondContact O-CA 3.26Å; Q862-S879 PolarHBondContact O-OG 3.14Å; S879-D881 VanDerWaalsContact CB-OD1 3.27Å; S879-D881 WeakPolarHBondContact CB-OD1 3.47Å; S879-D881 PolarHBondContact O-N 2.87Å; S879-D881 PolarHBondContact OG-N 2.82Å; S879-D881 PolarHBondContact OG-OD1 3.16Å; S879-N882 PolarHBondContact O-N 3.23Å; S879-V883 PolarHBondContact N-O 3.32Å; S879-V883 VanDerWaalsContact N-O 3.1Å; S879-I909 PolarHBondContact O-N 3.33Å
880	R	97.2	Very high	97	Very high	79 Å²	79	25.7 Å²	25.7	30%	0.298	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	1.7	172.5	-65.2	-162.9	179.3	-153.5	-5.2	114.8	E861 Q862 E864 N882 F908	E861-R880 HydrophobicContact CB-CB 4.05Å; Q862-R880 HydrophobicContact CB-CG 4.17Å; Q862-R880 PolarHBondContact O-N 3.04Å; E864-R880 IonicContact OE1-CZ 3.42Å; E864-R880 IonicContact OE1-NE 2.59Å; E864-R880 PolarHBondContact OE1-NE 2.99Å; E864-R880 IonicContact OE1-NH2 3.8Å; E864-R880 PolarHBondContact OE1-NH2 3.26Å; E864-R880 IonicContact OE2-CZ 2.63Å; E864-R880 IonicContact OE2-NE 3.47Å; E864-R880 PolarHBondContact OE2-NE 3.24Å; E864-R880 IonicContact OE2-NH2 2.95Å; E864-R880 PolarHBondContact OE2-NH2 3.26Å; R880-N882 VanDerWaalsContact C-N 3.28Å; R880-F908 HydrophobicContact CB-CB 4.15Å; R880-F908 HydrophobicContact CG-CB 4.1Å
881	D	97	Very high	96.9	Very high	28 Å²	28	29 Å²	29	15%	0.15	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	8.2	165.8	81.2	-24.5	0	0	0	114.2	E861 S879 V883 Y885	E861-D881 HydrophobicContact CG-CB 4.31Å; S879-D881 VanDerWaalsContact CB-OD1 3.27Å; S879-D881 WeakPolarHBondContact CB-OD1 3.47Å; S879-D881 PolarHBondContact O-N 2.87Å; S879-D881 PolarHBondContact OG-N 2.82Å; S879-D881 PolarHBondContact OG-OD1 3.16Å; D881-V883 VanDerWaalsContact C-N 3.29Å; D881-V883 PolarHBondContact O-N 3.1Å; D881-V883 VanDerWaalsContact OD1-CB 3.27Å; D881-V883 WeakPolarHBondContact OD1-CB 3.19Å; D881-V883 PolarHBondContact OD1-N 3.45Å; D881-Y885 PolarHBondContact OD2-OH 2.96Å
882	N	97.6	Very high	96.7	Very high	50 Å²	50	33.1 Å²	33.1	27%	0.267	15%	0.152	S	C	.	.	S	Bend	trans	73.1	10.7	-178.1	-46.1	-3.2	0	0	0	114.7	S879 R880 T906 S907 F908	S879-N882 PolarHBondContact O-N 3.23Å; R880-N882 VanDerWaalsContact C-N 3.28Å; N882-T906 PolarHBondContact ND2-O 2.75Å; N882-S907 WeakPolarHBondContact CB-O 3.26Å; N882-S907 VanDerWaalsContact CG-O 3.27Å; N882-S907 PolarHBondContact ND2-N 2.59Å; N882-S907 PolarHBondContact OD1-O 3.09Å; N882-F908 PolarHBondContact OD1-N 3.01Å; N882-F908 VanDerWaalsContact OD1-N 3.13Å
883	V	98.2	Very high	96.6	Very high	13 Å²	13	33 Å²	33	8%	0.079	15%	0.151	C	C	.	.			trans	-106.8	147.2	-177.3	-177.1	0	0	0	0	111	S879 D881 Y885 R901	S879-V883 PolarHBondContact N-O 3.32Å; S879-V883 VanDerWaalsContact N-O 3.1Å; D881-V883 VanDerWaalsContact C-N 3.29Å; D881-V883 PolarHBondContact O-N 3.1Å; D881-V883 VanDerWaalsContact OD1-CB 3.27Å; D881-V883 WeakPolarHBondContact OD1-CB 3.19Å; D881-V883 PolarHBondContact OD1-N 3.45Å; V883-Y885 HydrophobicContact CB-CD2 4.38Å; V883-Y885 HydrophobicContact CB-CE2 3.83Å; V883-Y885 HydrophobicContact CG1-CD1 4.47Å; V883-Y885 HydrophobicContact CG1-CD2 4.05Å; V883-Y885 HydrophobicContact CG1-CE1 4.24Å; V883-Y885 HydrophobicContact CG1-CE2 3.78Å; V883-Y885 HydrophobicContact CG1-CG 4.4Å; V883-R901 HydrophobicContact CG1-CB 3.65Å; V883-R901 HydrophobicContact CG1-CG 4.49Å
884	I	98.6	Very high	96.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.3	163.2	-54.6	170.6	0	0	0	108.6	A876 L877 V886 R901 C902 I909 I912 S923	A876-I884 HydrophobicContact CB-CG2 4.12Å; L877-I884 CarbonylContact O-C 3.58Å; L877-I884 VanDerWaalsContact O-CA 3.28Å; L877-I884 WeakPolarHBondContact O-CA 3.44Å; I884-V886 HydrophobicContact CG2-CG2 4.48Å; I884-R901 CarbonylContact O-C 3.48Å; I884-R901 WeakPolarHBondContact O-CA 3.34Å; I884-C902 HydrophobicContact CB-CB 4.07Å; I884-C902 PolarHBondContact N-O 3.1Å; I884-C902 PolarHBondContact O-N 3.35Å; I884-I909 HydrophobicContact CD1-CD1 4.2Å; I884-I909 HydrophobicContact CD1-CG1 4.49Å; I884-I909 HydrophobicContact CD1-CG2 4.25Å; I884-I909 HydrophobicContact CG1-CD1 3.86Å; I884-I909 HydrophobicContact CG1-CG1 3.79Å; I884-I909 HydrophobicContact CG1-CG2 4.16Å; I884-I912 HydrophobicContact CB-CD1 4.41Å; I884-I912 HydrophobicContact CD1-CD1 3.93Å; I884-I912 HydrophobicContact CD1-CG1 4Å; I884-I912 HydrophobicContact CG1-CD1 3.96Å; I884-I912 HydrophobicContact CG2-CD1 3.63Å; I884-S923 WeakPolarHBondContact CD1-OG 3.41Å
885	Y	98.5	Very high	96.4	Very high	13 Å²	13	35.6 Å²	35.6	5%	0.051	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	131.4	176.9	-64	-93	0	0	0	109.5	D857 G858 A876 L877 D881 V883 R901	D857-Y885 HydrophobicContact CB-CD1 4.26Å; D857-Y885 HydrophobicContact CB-CD2 3.98Å; D857-Y885 HydrophobicContact CB-CE1 4.26Å; D857-Y885 HydrophobicContact CB-CE2 3.98Å; D857-Y885 HydrophobicContact CB-CG 4.1Å; D857-Y885 WeakPolarHBondContact OD1-CD1 3.38Å; D857-Y885 WeakPolarHBondContact OD1-CE1 3.4Å; G858-Y885 PolarHBondContact N-OH 2.69Å; A876-Y885 CarbonylContact C-O 3.55Å; A876-Y885 WeakPolarHBondContact CA-O 3.27Å; L877-Y885 PolarHBondContact N-O 3.49Å; L877-Y885 PolarHBondContact O-N 3.36Å; D881-Y885 PolarHBondContact OD2-OH 2.96Å; V883-Y885 HydrophobicContact CB-CD2 4.38Å; V883-Y885 HydrophobicContact CB-CE2 3.83Å; V883-Y885 HydrophobicContact CG1-CD1 4.47Å; V883-Y885 HydrophobicContact CG1-CD2 4.05Å; V883-Y885 HydrophobicContact CG1-CE1 4.24Å; V883-Y885 HydrophobicContact CG1-CE2 3.78Å; V883-Y885 HydrophobicContact CG1-CG 4.4Å; Y885-R901 HydrophobicContact CD1-CB 4.45Å
886	V	98.5	Very high	96.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.5	-179.1	-175.1	0	0	0	0	109.9	Y874 L875 I884 V899 G900 W914 I921	Y874-V886 HydrophobicContact CD1-CG1 4.07Å; L875-V886 WeakPolarHBondContact O-CA 3.38Å; I884-V886 HydrophobicContact CG2-CG2 4.48Å; V886-V899 HydrophobicContact CB-CB 4.37Å; V886-V899 HydrophobicContact CG1-CB 4.24Å; V886-V899 HydrophobicContact CG1-CG2 4.25Å; V886-V899 PolarHBondContact O-N 3.41Å; V886-G900 PolarHBondContact N-O 3.13Å; V886-G900 PolarHBondContact O-N 2.59Å; V886-W914 HydrophobicContact CG1-CH2 4.45Å; V886-I921 HydrophobicContact CG2-CD1 4.01Å
887	Y	98.2	Very high	96.2	Very high	8 Å²	8	40 Å²	40	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	137.3	-177.8	-82.7	-97.8	0	0	0	110.9	W841 D857 Y874 L875 L877 N897 R898	W841-Y887 HydrophobicContact CH2-CD1 4.39Å; W841-Y887 HydrophobicContact CH2-CE1 4.36Å; W841-Y887 HydrophobicContact CH2-CG 4.48Å; W841-Y887 HydrophobicContact CZ2-CD1 4.22Å; W841-Y887 HydrophobicContact CZ2-CD2 4.01Å; W841-Y887 AromaticContact CZ2-CE1 3.85Å; W841-Y887 HydrophobicContact CZ2-CE1 3.85Å; W841-Y887 AromaticContact CZ2-CE2 3.65Å; W841-Y887 HydrophobicContact CZ2-CE2 3.65Å; W841-Y887 HydrophobicContact CZ2-CG 4.28Å; W841-Y887 AromaticContact CZ2-CZ 3.54Å; D857-Y887 PolarHBondContact OD2-OH 2.96Å; Y874-Y887 CarbonylContact C-O 3.6Å; Y874-Y887 WeakPolarHBondContact CA-O 3.49Å; L875-Y887 PolarHBondContact N-O 3.02Å; L875-Y887 PolarHBondContact O-N 3.31Å; L877-Y887 HydrophobicContact CD1-CD2 4.18Å; L877-Y887 HydrophobicContact CD1-CE2 4.06Å; Y887-N897 CarbonylContact C-O 3.58Å; Y887-N897 WeakPolarHBondContact CA-O 3.36Å; Y887-N897 VanDerWaalsContact CD1-C 3.49Å; Y887-R898 HydrophobicContact CD1-CB 4.04Å; Y887-R898 HydrophobicContact CD2-CG 4.42Å; Y887-R898 HydrophobicContact CE1-CB 3.69Å; Y887-R898 HydrophobicContact CE1-CG 4.25Å; Y887-R898 HydrophobicContact CE2-CB 4.39Å; Y887-R898 HydrophobicContact CE2-CG 4.03Å; Y887-R898 VanDerWaalsContact OH-CZ 3.32Å; Y887-R898 PolarHBondContact OH-NE 3.05Å; Y887-R898 VanDerWaalsContact OH-NE 3.14Å; Y887-R898 PolarHBondContact OH-NH2 3.02Å
888	N	97.1	Very high	96.2	Very high	53 Å²	53	45.7 Å²	45.7	28%	0.283	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	130.4	160.1	-73.9	-35.5	0	0	0	107.6	Y874 Y896 N897 V899	Y874-N888 WeakPolarHBondContact CE1-OD1 3.47Å; N888-Y896 WeakPolarHBondContact O-CA 3.43Å; N888-N897 HydrophobicContact CB-CB 4.35Å; N888-N897 PolarHBondContact N-O 3.18Å; N888-N897 PolarHBondContact O-N 3.23Å; N888-V899 HydrophobicContact CB-CG2 4.26Å; N888-V899 VanDerWaalsContact CG-CG2 3.47Å; N888-V899 WeakPolarHBondContact OD1-CG2 3.37Å
889	V	96	Very high	96.1	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.03	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.8	178.1	-174	0	0	0	0	107.9	Y782 Y868 N873 Y874 L875 Y896	Y782-V889 HydrophobicContact CD2-CG1 4.27Å; Y782-V889 HydrophobicContact CE2-CG1 3.67Å; Y868-V889 HydrophobicContact CD1-CG2 4.13Å; Y868-V889 HydrophobicContact CE1-CG1 4.29Å; Y868-V889 HydrophobicContact CE1-CG2 4.04Å; N873-V889 PolarHBondContact O-N 3.45Å; Y874-V889 VanDerWaalsContact C-CG2 3.45Å; L875-V889 HydrophobicContact CB-CG2 3.6Å; V889-Y896 HydrophobicContact CB-CE1 4.24Å; V889-Y896 HydrophobicContact CG1-CD1 4.43Å; V889-Y896 HydrophobicContact CG1-CE1 3.74Å; V889-Y896 HydrophobicContact CG2-CD1 3.94Å; V889-Y896 HydrophobicContact CG2-CE1 3.67Å
890	L	94	Very high	96.1	Very high	64 Å²	64	48.9 Å²	48.9	34%	0.335	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	164.8	-171.7	-58.3	177.8	0	0	0	110.1	R892 G893 Y894 K895 N897	L890-R892 PolarHBondContact O-N 2.92Å; L890-R892 VanDerWaalsContact O-N 3.16Å; L890-G893 PolarHBondContact O-N 3.11Å; L890-G893 VanDerWaalsContact O-N 3.15Å; L890-Y894 PolarHBondContact O-N 3.13Å; L890-K895 HydrophobicContact CB-CB 4.12Å; L890-K895 HydrophobicContact CB-CD 4.4Å; L890-K895 HydrophobicContact CB-CG 4.32Å; L890-K895 PolarHBondContact N-O 3.21Å; L890-K895 PolarHBondContact O-N 3.04Å; L890-N897 HydrophobicContact CD1-CB 4.43Å; L890-N897 WeakPolarHBondContact CD1-ND2 3.43Å
891	E	91.8	Very high	96.1	Very high	122 Å²	122	52.8 Å²	52.8	57%	0.57	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	54.5	38.6	172.9	-66.7	164.5	-152.4	0	0	112.4	Y894 K895	E891-Y894 WeakPolarHBondContact O-CB 3.22Å; E891-Y894 PolarHBondContact O-N 3.13Å; E891-K895 HydrophobicContact CB-CB 4.28Å; E891-K895 HydrophobicContact CG-CD 4.31Å; E891-K895 WeakPolarHBondContact OE1-CD 3.21Å; E891-K895 WeakPolarHBondContact OE1-CE 3.46Å; E891-K895 IonicContact OE1-NZ 3.99Å; E891-K895 PolarHBondContact OE1-NZ 3.23Å; E891-K895 WeakPolarHBondContact OE2-CD 3.4Å; E891-K895 IonicContact OE2-NZ 2.65Å
892	R	88.9	Confident	96.1	Very high	152 Å²	152	51.6 Å²	51.6	57%	0.574	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	57.8	45.2	-177.7	-59	-172.6	157.5	159.8	-3.5	114.3	L890	L890-R892 PolarHBondContact O-N 2.92Å; L890-R892 VanDerWaalsContact O-N 3.16Å
893	G	91.9	Very high	96.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	85.7	5.1	178.6	0	0	0	0	0	114.6	L831 L890 Y896	L831-G893 WeakPolarHBondContact CD1-O 3.29Å; L890-G893 PolarHBondContact O-N 3.11Å; L890-G893 VanDerWaalsContact O-N 3.15Å; G893-Y896 WeakPolarHBondContact CA-OH 3.2Å; G893-Y896 WeakPolarHBondContact O-CE2 3.39Å; G893-Y896 VanDerWaalsContact O-CZ 3.29Å; G893-Y896 PolarHBondContact O-OH 3.15Å
894	Y	93.3	Very high	96	Very high	76 Å²	76	53.5 Å²	53.5	30%	0.298	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-14.1	175.8	-85.7	-98.5	0	0	0	114.2	D829 L831 N845 K848 I852 L890 E891	D829-Y894 HydrophobicContact CB-CE2 4.21Å; D829-Y894 VanDerWaalsContact CG-OH 3.29Å; D829-Y894 PolarHBondContact OD2-OH 2.77Å; L831-Y894 HydrophobicContact CD1-CD2 3.96Å; L831-Y894 HydrophobicContact CD1-CE2 3.85Å; L831-Y894 HydrophobicContact CD2-CE2 4.31Å; L831-Y894 HydrophobicContact CG-CE2 4.49Å; N845-Y894 PolarHBondContact ND2-OH 3.37Å; K848-Y894 PolarHBondContact NZ-OH 2.9Å; I852-Y894 HydrophobicContact CD1-CD1 4.49Å; I852-Y894 HydrophobicContact CD1-CE1 3.71Å; I852-Y894 HydrophobicContact CG1-CE1 4.16Å; I852-Y894 HydrophobicContact CG2-CD1 3.46Å; I852-Y894 VanDerWaalsContact CG2-CD1 3.46Å; I852-Y894 HydrophobicContact CG2-CE1 3.77Å; I852-Y894 HydrophobicContact CG2-CG 4.11Å; L890-Y894 PolarHBondContact O-N 3.13Å; E891-Y894 WeakPolarHBondContact O-CB 3.22Å; E891-Y894 PolarHBondContact O-N 3.13Å
895	K	95	Very high	95.9	Very high	85 Å²	85	54.1 Å²	54.1	37%	0.37	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	139.5	-169.9	-177.9	175.1	-178	170.9	0	112.9	L890 E891	L890-K895 HydrophobicContact CB-CB 4.12Å; L890-K895 HydrophobicContact CB-CD 4.4Å; L890-K895 HydrophobicContact CB-CG 4.32Å; L890-K895 PolarHBondContact N-O 3.21Å; L890-K895 PolarHBondContact O-N 3.04Å; E891-K895 HydrophobicContact CB-CB 4.28Å; E891-K895 HydrophobicContact CG-CD 4.31Å; E891-K895 WeakPolarHBondContact OE1-CD 3.21Å; E891-K895 WeakPolarHBondContact OE1-CE 3.46Å; E891-K895 IonicContact OE1-NZ 3.99Å; E891-K895 PolarHBondContact OE1-NZ 3.23Å; E891-K895 WeakPolarHBondContact OE2-CD 3.4Å; E891-K895 IonicContact OE2-NZ 2.65Å
896	Y	97.3	Very high	95.8	Very high	14 Å²	14	57.5 Å²	57.5	6%	0.055	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	116.4	-169.5	-63.6	-93.4	0	0	0	111.2	W841 V843 A853 Y868 L875 N888 V889 G893	W841-Y896 AromaticContact CH2-CD1 3.82Å; W841-Y896 HydrophobicContact CH2-CD1 3.82Å; W841-Y896 HydrophobicContact CH2-CD2 4.48Å; W841-Y896 AromaticContact CH2-CG 3.79Å; W841-Y896 HydrophobicContact CH2-CG 3.79Å; W841-Y896 HydrophobicContact CZ3-CD1 4.11Å; W841-Y896 HydrophobicContact CZ3-CE1 4.45Å; W841-Y896 HydrophobicContact CZ3-CG 4.19Å; V843-Y896 HydrophobicContact CB-CE2 4.31Å; V843-Y896 HydrophobicContact CG1-CE2 4.36Å; V843-Y896 HydrophobicContact CG2-CD2 4.35Å; V843-Y896 HydrophobicContact CG2-CE1 4.4Å; V843-Y896 HydrophobicContact CG2-CE2 3.65Å; A853-Y896 HydrophobicContact CB-CD2 4.19Å; A853-Y896 HydrophobicContact CB-CE2 4.41Å; Y868-Y896 HydrophobicContact CE1-CE1 4.09Å; Y868-Y896 PolarHBondContact OH-OH 3.16Å; Y868-Y896 VanDerWaalsContact OH-OH 3.08Å; L875-Y896 HydrophobicContact CB-CE1 4.48Å; L875-Y896 HydrophobicContact CD2-CD1 3.86Å; L875-Y896 HydrophobicContact CD2-CE1 3.65Å; N888-Y896 WeakPolarHBondContact O-CA 3.43Å; V889-Y896 HydrophobicContact CB-CE1 4.24Å; V889-Y896 HydrophobicContact CG1-CD1 4.43Å; V889-Y896 HydrophobicContact CG1-CE1 3.74Å; V889-Y896 HydrophobicContact CG2-CD1 3.94Å; V889-Y896 HydrophobicContact CG2-CE1 3.67Å; G893-Y896 WeakPolarHBondContact CA-OH 3.2Å; G893-Y896 WeakPolarHBondContact O-CE2 3.39Å; G893-Y896 VanDerWaalsContact O-CZ 3.29Å; G893-Y896 PolarHBondContact O-OH 3.15Å
897	N	96.4	Very high	95.6	Very high	78 Å²	78	58 Å²	58	42%	0.417	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	121.6	176.4	-74.9	-1.6	0	0	0	109.4	Y887 N888 L890 V899	Y887-N897 CarbonylContact C-O 3.58Å; Y887-N897 WeakPolarHBondContact CA-O 3.36Å; Y887-N897 VanDerWaalsContact CD1-C 3.49Å; N888-N897 HydrophobicContact CB-CB 4.35Å; N888-N897 PolarHBondContact N-O 3.18Å; N888-N897 PolarHBondContact O-N 3.23Å; L890-N897 HydrophobicContact CD1-CB 4.43Å; L890-N897 WeakPolarHBondContact CD1-ND2 3.43Å; N897-V899 PolarHBondContact O-N 2.84Å
898	R	97.2	Very high	95.5	Very high	120 Å²	120	59 Å²	59	45%	0.453	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	126.1	-178.4	-163.3	-179.2	-59.2	-150.6	-3.2	110.8	D857 Y887	D857-R898 IonicContact OD1-CZ 2.67Å; D857-R898 IonicContact OD1-NH1 3.13Å; D857-R898 PolarHBondContact OD1-NH1 3.23Å; D857-R898 IonicContact OD1-NH2 2.74Å; D857-R898 PolarHBondContact OD1-NH2 2.98Å; D857-R898 IonicContact OD2-CZ 2.93Å; D857-R898 IonicContact OD2-NH2 2.66Å; D857-R898 PolarHBondContact OD2-NH2 3.1Å; D857-R898 VanDerWaalsContact OD2-NH2 3.13Å; Y887-R898 HydrophobicContact CD1-CB 4.04Å; Y887-R898 HydrophobicContact CD2-CG 4.42Å; Y887-R898 HydrophobicContact CE1-CB 3.69Å; Y887-R898 HydrophobicContact CE1-CG 4.25Å; Y887-R898 HydrophobicContact CE2-CB 4.39Å; Y887-R898 HydrophobicContact CE2-CG 4.03Å; Y887-R898 VanDerWaalsContact OH-CZ 3.32Å; Y887-R898 PolarHBondContact OH-NE 3.05Å; Y887-R898 VanDerWaalsContact OH-NE 3.14Å; Y887-R898 PolarHBondContact OH-NH2 3.02Å
899	V	97.1	Very high	95.5	Very high	44 Å²	44	56.5 Å²	56.5	27%	0.267	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-49.2	172.4	178.8	0	0	0	0	109.3	Y874 V886 N888 N897 F936	Y874-V899 HydrophobicContact CD1-CG2 4.16Å; Y874-V899 HydrophobicContact CE1-CG2 3.95Å; V886-V899 HydrophobicContact CB-CB 4.37Å; V886-V899 HydrophobicContact CG1-CB 4.24Å; V886-V899 HydrophobicContact CG1-CG2 4.25Å; V886-V899 PolarHBondContact O-N 3.41Å; N888-V899 HydrophobicContact CB-CG2 4.26Å; N888-V899 VanDerWaalsContact CG-CG2 3.47Å; N888-V899 WeakPolarHBondContact OD1-CG2 3.37Å; N897-V899 PolarHBondContact O-N 2.84Å; V899-F936 WeakPolarHBondContact CG1-O 3.23Å
900	G	97.5	Very high	95.6	Very high	22 Å²	22	58.4 Å²	58.4	23%	0.227	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.1	-151.2	-174.9	0	0	0	0	0	112.3	V886	V886-G900 PolarHBondContact N-O 3.13Å; V886-G900 PolarHBondContact O-N 2.59Å
901	R	97.7	Very high	95.7	Very high	162 Å²	162	56.4 Å²	56.4	61%	0.611	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.8	134.2	177.9	59.6	175.8	-174.1	166.1	2.3	110.1	V883 I884 Y885	V883-R901 HydrophobicContact CG1-CB 3.65Å; V883-R901 HydrophobicContact CG1-CG 4.49Å; I884-R901 CarbonylContact O-C 3.48Å; I884-R901 WeakPolarHBondContact O-CA 3.34Å; Y885-R901 HydrophobicContact CD1-CB 4.45Å
902	C	98.2	Very high	96.1	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.014	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	116.4	170.2	-61.7	0	0	0	0	108.3	I884 W933	I884-C902 HydrophobicContact CB-CB 4.07Å; I884-C902 PolarHBondContact N-O 3.1Å; I884-C902 PolarHBondContact O-N 3.35Å; C902-W933 HydrophobicContact CB-CD2 3.59Å; C902-W933 HydrophobicContact CB-CE3 3.43Å; C902-W933 VanDerWaalsContact CB-CE3 3.43Å; C902-W933 HydrophobicContact CB-CG 4.14Å; C902-W933 HydrophobicContact CB-CH2 4.19Å; C902-W933 HydrophobicContact CB-CZ2 4.33Å; C902-W933 HydrophobicContact CB-CZ3 3.75Å
903	C	96.9	Very high	96.5	Very high	63 Å²	63	43.6 Å²	43.6	43%	0.426	22%	0.224	S	C	.	.			trans	-119.9	129.9	179.2	-66	0	0	0	0	109.8
904	G	95.5	Very high	96.8	Very high	41 Å²	41	43.7 Å²	43.7	42%	0.423	22%	0.224	S	C	.	.			trans	163.2	-20.3	177.1	0	0	0	0	0	115.4
905	H	97	Very high	97	Very high	12 Å²	12	40.1 Å²	40.1	6%	0.056	21%	0.21	C	C	.	.			trans	-64.9	139.3	169.9	-85.7	-67.6	0	0	0	110.9	I909 S923 S925 E929 L931 W933	H905-I909 HydrophobicContact CB-CD1 3.92Å; H905-I909 WeakPolarHBondContact CD2-CD1 3.31Å; H905-S923 PolarHBondContact CE1-O 3Å; H905-S923 PolarHBondContact NE2-O 3.4Å; H905-S923 PolarHBondContact NE2-OG 2.86Å; H905-S925 PolarHBondContact CE1-OG 2.94Å; H905-S925 VanDerWaalsContact ND1-CB 3.28Å; H905-S925 WeakPolarHBondContact ND1-CB 3.28Å; H905-S925 PolarHBondContact ND1-OG 2.94Å; H905-E929 PolarHBondContact CE1-O 2.87Å; H905-L931 HydrophobicContact CB-CD1 4.33Å; H905-W933 AromaticContact CD2-CZ2 3.89Å
906	T	95.4	Very high	97.1	Very high	85 Å²	85	39.6 Å²	39.6	52%	0.521	21%	0.214	S	C	.	.	S	Bend	trans	-83.4	-12.6	177.7	57	0	0	0	0	113.8	N882 E929	N882-T906 PolarHBondContact ND2-O 2.75Å; T906-E929 WeakPolarHBondContact CB-OE2 3.44Å; T906-E929 WeakPolarHBondContact CG2-OE2 3.39Å; T906-E929 PolarHBondContact N-OE2 2.88Å; T906-E929 VanDerWaalsContact N-OE2 3.1Å; T906-E929 PolarHBondContact OG1-OE2 3.13Å
907	S	95.7	Very high	97	Very high	10 Å²	10	41.9 Å²	41.9	7%	0.07	23%	0.227	C	C	.	.	S	Bend	trans	-140.5	174	-173.1	-155.9	0	0	0	0	111.5	N882 D927	N882-S907 WeakPolarHBondContact CB-O 3.26Å; N882-S907 VanDerWaalsContact CG-O 3.27Å; N882-S907 PolarHBondContact ND2-N 2.59Å; N882-S907 PolarHBondContact OD1-O 3.09Å; S907-D927 VanDerWaalsContact CB-CG 3.48Å; S907-D927 WeakPolarHBondContact CB-OD1 3.11Å; S907-D927 PolarHBondContact OG-OD1 3.05Å
908	F	95.2	Very high	97	Very high	29 Å²	29	38.4 Å²	38.4	13%	0.127	21%	0.209	C	C	.	.			trans	-60.5	142.9	-175.8	51.4	-88.2	0	0	0	111.8	R880 N882 L910 S925 G926	R880-F908 HydrophobicContact CB-CB 4.15Å; R880-F908 HydrophobicContact CG-CB 4.1Å; N882-F908 PolarHBondContact OD1-N 3.01Å; N882-F908 VanDerWaalsContact OD1-N 3.13Å; F908-L910 HydrophobicContact CD2-CD2 4.19Å; F908-L910 HydrophobicContact CD2-CG 4.17Å; F908-L910 HydrophobicContact CE2-CD1 4.4Å; F908-L910 HydrophobicContact CE2-CD2 3.84Å; F908-L910 HydrophobicContact CE2-CG 3.98Å; F908-S925 CarbonylContact O-C 3.58Å; F908-S925 WeakPolarHBondContact O-CA 3.41Å; F908-S925 WeakPolarHBondContact O-CB 3.17Å; F908-G926 PolarHBondContact O-N 3.12Å
909	I	98.1	Very high	97	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	135.2	176.7	-47.2	-58.4	0	0	0	109.3	E864 S879 I884 H905 I912	E864-I909 WeakPolarHBondContact CB-O 3.26Å; E864-I909 WeakPolarHBondContact CG-O 3.4Å; S879-I909 PolarHBondContact O-N 3.33Å; I884-I909 HydrophobicContact CD1-CD1 4.2Å; I884-I909 HydrophobicContact CD1-CG1 4.49Å; I884-I909 HydrophobicContact CD1-CG2 4.25Å; I884-I909 HydrophobicContact CG1-CD1 3.86Å; I884-I909 HydrophobicContact CG1-CG1 3.79Å; I884-I909 HydrophobicContact CG1-CG2 4.16Å; H905-I909 HydrophobicContact CB-CD1 3.92Å; H905-I909 WeakPolarHBondContact CD2-CD1 3.31Å; I909-I912 HydrophobicContact CG2-CD1 4.24Å; I909-I912 HydrophobicContact CG2-CG1 4.04Å
910	L	96.8	Very high	97	Very high	46 Å²	46	39.1 Å²	39.1	24%	0.241	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-48.2	175.6	-80	171.4	0	0	0	112.2	F908 V924	F908-L910 HydrophobicContact CD2-CD2 4.19Å; F908-L910 HydrophobicContact CD2-CG 4.17Å; F908-L910 HydrophobicContact CE2-CD1 4.4Å; F908-L910 HydrophobicContact CE2-CD2 3.84Å; F908-L910 HydrophobicContact CE2-CG 3.98Å; L910-V924 PolarHBondContact N-O 3Å
911	H	97.9	Very high	97.1	Very high	21 Å²	21	38.1 Å²	38.1	10%	0.097	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	151.4	-172.3	-48.2	-56.5	0	0	0	111.8	S923 V924 C957 T958 N977	H911-S923 WeakPolarHBondContact O-CA 3.5Å; H911-S923 VanDerWaalsContact O-CB 3.28Å; H911-S923 WeakPolarHBondContact O-CB 3.4Å; H911-V924 HydrophobicContact CB-CB 4.3Å; H911-V924 PolarHBondContact N-O 2.97Å; H911-V924 PolarHBondContact O-N 2.87Å; H911-C957 HydrophobicContact CB-CB 4.38Å; H911-T958 PolarHBondContact CD2-OG1 2.86Å; H911-T958 WeakPolarHBondContact NE2-CG2 2.86Å; H911-T958 PolarHBondContact NE2-OG1 2.96Å; H911-N977 PolarHBondContact CE1-O 2.88Å; H911-N977 VanDerWaalsContact CE1-O 3.26Å
912	I	98.3	Very high	97.1	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.026	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	125	179.3	-72.1	174.8	0	0	0	108	A867 A876 I884 I909 I921 R922 T956	A867-I912 HydrophobicContact CB-CG2 4.2Å; A876-I912 HydrophobicContact CB-CD1 4.36Å; A876-I912 HydrophobicContact CB-CG2 4.1Å; I884-I912 HydrophobicContact CB-CD1 4.41Å; I884-I912 HydrophobicContact CD1-CD1 3.93Å; I884-I912 HydrophobicContact CD1-CG1 4Å; I884-I912 HydrophobicContact CG1-CD1 3.96Å; I884-I912 HydrophobicContact CG2-CD1 3.63Å; I909-I912 HydrophobicContact CG2-CD1 4.24Å; I909-I912 HydrophobicContact CG2-CG1 4.04Å; I912-I921 HydrophobicContact CG2-CG2 3.77Å; I912-R922 WeakPolarHBondContact CA-O 3.34Å; I912-T956 PolarHBondContact O-OG1 2.62Å; I912-T956 VanDerWaalsContact O-OG1 3.1Å
913	D	98.5	Very high	97.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	144.3	164.7	-65.1	-49.9	0	0	0	110.4	I921 R922 W952 S954 T956 C957	D913-I921 WeakPolarHBondContact O-CA 3.28Å; D913-R922 HydrophobicContact CB-CG 3.81Å; D913-R922 PolarHBondContact N-O 2.84Å; D913-R922 PolarHBondContact O-N 3Å; D913-R922 IonicContact OD2-CZ 2.82Å; D913-R922 IonicContact OD2-NE 3.55Å; D913-R922 PolarHBondContact OD2-NE 2.77Å; D913-R922 IonicContact OD2-NH2 3.4Å; D913-R922 PolarHBondContact OD2-NH2 3.45Å; D913-W952 HydrophobicContact CB-CE3 4.49Å; D913-S954 WeakPolarHBondContact CB-OG 3.19Å; D913-S954 VanDerWaalsContact OD1-C 3.3Å; D913-S954 WeakPolarHBondContact OD1-CB 3.39Å; D913-S954 PolarHBondContact OD1-OG 3.37Å; D913-T956 WeakPolarHBondContact OD1-CB 3.24Å; D913-T956 PolarHBondContact OD1-N 2.82Å; D913-T956 PolarHBondContact OD1-OG1 3.29Å; D913-T956 PolarHBondContact OD2-N 3.23Å; D913-C957 VanDerWaalsContact OD2-CB 3.29Å; D913-C957 WeakPolarHBondContact OD2-CB 3.45Å; D913-C957 PolarHBondContact OD2-N 3.07Å; D913-C957 PolarHBondContact OD2-SG 3.31Å
914	W	98.3	Very high	97.1	Very high	3 Å²	3	27.6 Å²	27.6	1%	0.011	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	150.5	171.2	-73.2	92.1	0	0	0	111.3	A867 Y868 Y874 A876 V886 G918 I921 A935 A953	A867-W914 PolarHBondContact O-NE1 2.82Å; Y868-W914 PolarHBondContact O-NE1 2.8Å; Y874-W914 HydrophobicContact CD2-CH2 4.47Å; Y874-W914 AromaticContact CG-CH2 3.93Å; Y874-W914 HydrophobicContact CG-CH2 3.93Å; Y874-W914 HydrophobicContact CG-CZ3 4.42Å; A876-W914 HydrophobicContact CB-CZ2 3.64Å; V886-W914 HydrophobicContact CG1-CH2 4.45Å; W914-G918 VanDerWaalsContact CZ3-O 3.29Å; W914-G918 WeakPolarHBondContact CZ3-O 3.35Å; W914-I921 HydrophobicContact CD2-CG1 3.95Å; W914-I921 HydrophobicContact CE3-CD1 4.43Å; W914-I921 HydrophobicContact CE3-CG1 3.73Å; W914-I921 HydrophobicContact CH2-CD1 3.73Å; W914-I921 HydrophobicContact CH2-CG1 3.96Å; W914-I921 HydrophobicContact CZ2-CD1 3.93Å; W914-I921 HydrophobicContact CZ2-CG1 4.18Å; W914-I921 HydrophobicContact CZ3-CD1 4.02Å; W914-I921 HydrophobicContact CZ3-CG1 3.75Å; W914-A935 HydrophobicContact CE3-CB 4.49Å; W914-A935 HydrophobicContact CH2-CB 3.74Å; W914-A935 HydrophobicContact CZ3-CB 3.38Å; W914-A953 WeakPolarHBondContact O-CB 3.22Å; W914-A953 PolarHBondContact O-N 3.05Å
915	S	97.9	Very high	97.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-69.5	154.1	164.1	56.5	0	0	0	0	111.2	D917 G918 R919 F920 E951	S915-D917 WeakPolarHBondContact CB-OD1 3.2Å; S915-D917 PolarHBondContact O-N 3.05Å; S915-D917 PolarHBondContact OG-OD1 2.89Å; S915-G918 PolarHBondContact O-N 2.84Å; S915-R919 PolarHBondContact OG-N 2.78Å; S915-F920 PolarHBondContact N-O 2.74Å; S915-F920 PolarHBondContact OG-N 3.48Å; S915-F920 PolarHBondContact OG-O 3.2Å; S915-E951 WeakPolarHBondContact CA-O 3.48Å
916	V	96.4	Very high	96.8	Very high	74 Å²	74	25.6 Å²	25.6	45%	0.448	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-32.1	178.5	173.1	0	0	0	0	112.2	G918 E951 A953	V916-G918 VanDerWaalsContact C-N 3.33Å; V916-E951 HydrophobicContact CB-CB 4.5Å; V916-E951 HydrophobicContact CG2-CB 3.92Å; V916-E951 HydrophobicContact CG2-CG 3.73Å; V916-E951 PolarHBondContact N-O 3.39Å; V916-A953 HydrophobicContact CG2-CB 4.23Å
917	D	95.2	Very high	96.5	Very high	63 Å²	63	24.2 Å²	24.2	34%	0.337	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	1.6	178.1	69.8	5.1	0	0	0	114.9	S915 R919	S915-D917 WeakPolarHBondContact CB-OD1 3.2Å; S915-D917 PolarHBondContact O-N 3.05Å; S915-D917 PolarHBondContact OG-OD1 2.89Å; D917-R919 PolarHBondContact O-N 3.11Å; D917-R919 VanDerWaalsContact O-N 3.07Å; D917-R919 PolarHBondContact OD1-N 2.62Å; D917-R919 IonicContact OD1-NE 2.75Å; D917-R919 IonicContact OD2-CZ 3.95Å; D917-R919 IonicContact OD2-NE 2.68Å; D917-R919 PolarHBondContact OD2-NE 2.88Å; D917-R919 IonicContact OD2-NH2 2.74Å; D917-R919 PolarHBondContact OD2-NH2 3.16Å
918	G	95.7	Very high	96.3	Very high	4 Å²	4	24.9 Å²	24.9	4%	0.041	12%	0.122	C	C	.	.	S	Bend	trans	65.9	3.6	-179.9	0	0	0	0	0	115.9	W914 S915 V916	W914-G918 VanDerWaalsContact CZ3-O 3.29Å; W914-G918 WeakPolarHBondContact CZ3-O 3.35Å; S915-G918 PolarHBondContact O-N 2.84Å; V916-G918 VanDerWaalsContact C-N 3.33Å
919	R	97	Very high	96.2	Very high	147 Å²	147	25.1 Å²	25.1	56%	0.555	12%	0.124	S	C	*	.	S	Bend	trans	-86.7	-26.2	-175	-64.2	-173.8	-62.3	170.8	-0.6	113.9	S915 D917 A935	S915-R919 PolarHBondContact OG-N 2.78Å; D917-R919 PolarHBondContact O-N 3.11Å; D917-R919 VanDerWaalsContact O-N 3.07Å; D917-R919 PolarHBondContact OD1-N 2.62Å; D917-R919 IonicContact OD1-NE 2.75Å; D917-R919 IonicContact OD2-CZ 3.95Å; D917-R919 IonicContact OD2-NE 2.68Å; D917-R919 PolarHBondContact OD2-NE 2.88Å; D917-R919 IonicContact OD2-NH2 2.74Å; D917-R919 PolarHBondContact OD2-NH2 3.16Å; R919-A935 PolarHBondContact O-N 3.44Å
920	F	98.2	Very high	96.1	Very high	33 Å²	33	26.4 Å²	26.4	15%	0.145	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	152.5	-173.5	-59.3	-85.8	0	0	0	112.4	S915 W933 T934 V941 L947 L950 W952	S915-F920 PolarHBondContact N-O 2.74Å; S915-F920 PolarHBondContact OG-N 3.48Å; S915-F920 PolarHBondContact OG-O 3.2Å; F920-W933 VanDerWaalsContact CA-O 3.24Å; F920-W933 WeakPolarHBondContact CA-O 3.29Å; F920-T934 HydrophobicContact CD1-CG2 3.99Å; F920-T934 HydrophobicContact CE1-CG2 3.62Å; F920-V941 HydrophobicContact CD1-CG2 4.16Å; F920-V941 HydrophobicContact CE1-CG2 4.14Å; F920-L947 HydrophobicContact CD1-CD1 4.29Å; F920-L947 HydrophobicContact CD1-CD2 4.12Å; F920-L947 HydrophobicContact CE1-CD2 3.89Å; F920-L947 HydrophobicContact CE2-CD2 4.49Å; F920-L947 HydrophobicContact CZ-CD2 4.09Å; F920-L950 HydrophobicContact CB-CD2 3.86Å; F920-L950 HydrophobicContact CD2-CD1 4.39Å; F920-L950 HydrophobicContact CD2-CD2 3.62Å; F920-L950 HydrophobicContact CE2-CD2 4.39Å; F920-L950 HydrophobicContact CG-CD2 3.88Å; F920-W952 HydrophobicContact CB-CH2 4.3Å; F920-W952 HydrophobicContact CB-CZ3 4.48Å
921	I	98.5	Very high	96.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.4	173.8	-59.3	167.8	0	0	0	107.8	A876 V886 I912 D913 W914 F932 W933 A935	A876-I921 HydrophobicContact CB-CD1 4.12Å; V886-I921 HydrophobicContact CG2-CD1 4.01Å; I912-I921 HydrophobicContact CG2-CG2 3.77Å; D913-I921 WeakPolarHBondContact O-CA 3.28Å; W914-I921 HydrophobicContact CD2-CG1 3.95Å; W914-I921 HydrophobicContact CE3-CD1 4.43Å; W914-I921 HydrophobicContact CE3-CG1 3.73Å; W914-I921 HydrophobicContact CH2-CD1 3.73Å; W914-I921 HydrophobicContact CH2-CG1 3.96Å; W914-I921 HydrophobicContact CZ2-CD1 3.93Å; W914-I921 HydrophobicContact CZ2-CG1 4.18Å; W914-I921 HydrophobicContact CZ3-CD1 4.02Å; W914-I921 HydrophobicContact CZ3-CG1 3.75Å; I921-F932 CarbonylContact O-C 3.54Å; I921-F932 WeakPolarHBondContact O-CA 3.42Å; I921-W933 HydrophobicContact CB-CB 4.31Å; I921-W933 PolarHBondContact N-O 3.41Å; I921-W933 PolarHBondContact O-N 2.82Å; I921-A935 HydrophobicContact CD1-CB 4.2Å; I921-A935 HydrophobicContact CG1-CB 4.38Å
922	R	97.9	Very high	96.1	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.015	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	148.8	159.4	66	173.9	-178.5	-157.9	-6.4	109.6	I912 D913 L931 F932 W952 S954 Q955 E962	I912-R922 WeakPolarHBondContact CA-O 3.34Å; D913-R922 HydrophobicContact CB-CG 3.81Å; D913-R922 PolarHBondContact N-O 2.84Å; D913-R922 PolarHBondContact O-N 3Å; D913-R922 IonicContact OD2-CZ 2.82Å; D913-R922 IonicContact OD2-NE 3.55Å; D913-R922 PolarHBondContact OD2-NE 2.77Å; D913-R922 IonicContact OD2-NH2 3.4Å; D913-R922 PolarHBondContact OD2-NH2 3.45Å; R922-L931 CarbonylContact C-O 3.55Å; R922-L931 WeakPolarHBondContact CA-O 3.44Å; R922-F932 HydrophobicContact CB-CD1 3.78Å; R922-F932 HydrophobicContact CB-CE1 3.74Å; R922-W952 HydrophobicContact CB-CE3 4.23Å; R922-W952 HydrophobicContact CB-CH2 3.7Å; R922-W952 HydrophobicContact CB-CZ2 4.1Å; R922-W952 HydrophobicContact CB-CZ3 3.77Å; R922-W952 HydrophobicContact CG-CD2 4.02Å; R922-W952 HydrophobicContact CG-CE3 3.68Å; R922-W952 HydrophobicContact CG-CH2 4.09Å; R922-W952 HydrophobicContact CG-CZ2 4.37Å; R922-W952 HydrophobicContact CG-CZ3 3.73Å; R922-W952 VanDerWaalsContact CZ-CG 3.48Å; R922-S954 PolarHBondContact NH2-O 3.38Å; R922-Q955 VanDerWaalsContact NH2-NE2 3.16Å; R922-E962 IonicContact CZ-OE1 3.71Å; R922-E962 IonicContact NH1-OE1 2.87Å; R922-E962 PolarHBondContact NH1-OE1 2.96Å; R922-E962 IonicContact NH1-OE2 3.75Å; R922-E962 PolarHBondContact NH1-OE2 2.85Å
923	S	98.3	Very high	96.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	147.4	176.2	58.2	0	0	0	0	114.2	I884 H905 H911 I930 L931 W933	I884-S923 WeakPolarHBondContact CD1-OG 3.41Å; H905-S923 PolarHBondContact CE1-O 3Å; H905-S923 PolarHBondContact NE2-O 3.4Å; H905-S923 PolarHBondContact NE2-OG 2.86Å; H911-S923 WeakPolarHBondContact O-CA 3.5Å; H911-S923 VanDerWaalsContact O-CB 3.28Å; H911-S923 WeakPolarHBondContact O-CB 3.4Å; S923-I930 WeakPolarHBondContact O-CA 3.22Å; S923-L931 PolarHBondContact N-O 2.97Å; S923-L931 PolarHBondContact O-N 2.9Å; S923-W933 PolarHBondContact OG-NE1 2.6Å
924	V	96.9	Very high	96.1	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.012	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	141.5	180	175.5	0	0	0	0	109.5	L910 H911 E929 C957 L959	L910-V924 PolarHBondContact N-O 3Å; H911-V924 HydrophobicContact CB-CB 4.3Å; H911-V924 PolarHBondContact N-O 2.97Å; H911-V924 PolarHBondContact O-N 2.87Å; V924-E929 WeakPolarHBondContact CA-O 3.21Å; V924-C957 HydrophobicContact CG2-CB 3.81Å; V924-L959 HydrophobicContact CG1-CB 4.35Å; V924-L959 HydrophobicContact CG1-CD1 3.81Å; V924-L959 HydrophobicContact CG1-CG 3.97Å; V924-L959 HydrophobicContact CG2-CB 3.88Å; V924-L959 HydrophobicContact CG2-CG 4.41Å
925	S	96.1	Very high	95.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	166.3	174.7	62.3	0	0	0	0	113.5	H905 F908 D927 Y928 E929	H905-S925 PolarHBondContact CE1-OG 2.94Å; H905-S925 VanDerWaalsContact ND1-CB 3.28Å; H905-S925 WeakPolarHBondContact ND1-CB 3.28Å; H905-S925 PolarHBondContact ND1-OG 2.94Å; F908-S925 CarbonylContact O-C 3.58Å; F908-S925 WeakPolarHBondContact O-CA 3.41Å; F908-S925 WeakPolarHBondContact O-CB 3.17Å; S925-D927 PolarHBondContact O-N 2.95Å; S925-Y928 PolarHBondContact O-N 2.85Å; S925-E929 PolarHBondContact N-O 2.98Å
926	G	91.8	Very high	95.8	Very high	11 Å²	11	32.5 Å²	32.5	11%	0.113	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-16.2	-178.2	0	0	0	0	0	116.5	F908 Y928	F908-G926 PolarHBondContact O-N 3.12Å; G926-Y928 VanDerWaalsContact C-N 3.34Å
927	D	89	Confident	95.7	Very high	57 Å²	57	31.3 Å²	31.3	31%	0.305	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	11.9	175.6	-84.3	44.2	0	0	0	112.8	R380 S907 S925 E929	R380-D927 PolarHBondContact NH1-O 3.05Å; S907-D927 VanDerWaalsContact CB-CG 3.48Å; S907-D927 WeakPolarHBondContact CB-OD1 3.11Å; S907-D927 PolarHBondContact OG-OD1 3.05Å; S925-D927 PolarHBondContact O-N 2.95Å; D927-E929 VanDerWaalsContact C-N 3.35Å; D927-E929 HydrophobicContact CB-CG 4.11Å
928	Y	90.7	Very high	95.9	Very high	23 Å²	23	28.9 Å²	28.9	9%	0.09	14%	0.137	C	C	.	.			trans	67.1	29.3	179.5	-35.5	-64.4	0	0	0	114.4	I377 R378 S925 G926 D972 G973	I377-Y928 HydrophobicContact CB-CG 4.47Å; I377-Y928 HydrophobicContact CG2-CD1 3.8Å; I377-Y928 HydrophobicContact CG2-CD2 3.82Å; I377-Y928 HydrophobicContact CG2-CE1 3.82Å; I377-Y928 HydrophobicContact CG2-CE2 3.84Å; I377-Y928 HydrophobicContact CG2-CG 3.8Å; R378-Y928 WeakPolarHBondContact CD-OH 3.36Å; R378-Y928 PolarHBondContact NH1-OH 3.35Å; S925-Y928 PolarHBondContact O-N 2.85Å; G926-Y928 VanDerWaalsContact C-N 3.34Å; Y928-D972 PolarHBondContact OH-O 2.86Å; Y928-G973 WeakPolarHBondContact CE1-O 3.33Å
929	E	92.4	Very high	95.9	Very high	34 Å²	34	36.9 Å²	36.9	16%	0.159	17%	0.166	C	C	.	.			trans	-88.7	135.7	178.3	-42.4	-157.9	117.5	0	0	109.7	R380 H905 T906 V924 S925 D927	R380-E929 IonicContact CZ-OE1 3.16Å; R380-E929 IonicContact NH1-OE1 2.75Å; R380-E929 IonicContact NH2-OE1 2.76Å; R380-E929 PolarHBondContact NH2-OE1 3.46Å; H905-E929 PolarHBondContact CE1-O 2.87Å; T906-E929 WeakPolarHBondContact CB-OE2 3.44Å; T906-E929 WeakPolarHBondContact CG2-OE2 3.39Å; T906-E929 PolarHBondContact N-OE2 2.88Å; T906-E929 VanDerWaalsContact N-OE2 3.1Å; T906-E929 PolarHBondContact OG1-OE2 3.13Å; V924-E929 WeakPolarHBondContact CA-O 3.21Å; S925-E929 PolarHBondContact N-O 2.98Å; D927-E929 VanDerWaalsContact C-N 3.35Å; D927-E929 HydrophobicContact CB-CG 4.11Å
930	I	95.7	Very high	96	Very high	28 Å²	28	33.7 Å²	33.7	14%	0.144	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	107.6	174.3	-46.9	172.8	0	0	0	107.1	V382 V384 S923 F932 L959	V382-I930 HydrophobicContact CG1-CD1 3.86Å; V382-I930 HydrophobicContact CG1-CG1 4.47Å; V384-I930 HydrophobicContact CG1-CD1 3.46Å; V384-I930 VanDerWaalsContact CG1-CD1 3.46Å; S923-I930 WeakPolarHBondContact O-CA 3.22Å; I930-F932 HydrophobicContact CB-CE2 4.44Å; I930-F932 HydrophobicContact CG2-CE2 3.72Å; I930-F932 HydrophobicContact CG2-CZ 3.72Å; I930-L959 HydrophobicContact CD1-CB 3.72Å; I930-L959 HydrophobicContact CG1-CB 3.79Å; I930-L959 HydrophobicContact CG1-CD1 4.3Å
931	L	97.7	Very high	95.9	Very high	26 Å²	26	33.3 Å²	33.3	14%	0.136	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	152.4	179.7	-59.9	-171.9	0	0	0	111.2	H905 R922 S923 W933	H905-L931 HydrophobicContact CB-CD1 4.33Å; R922-L931 CarbonylContact C-O 3.55Å; R922-L931 WeakPolarHBondContact CA-O 3.44Å; S923-L931 PolarHBondContact N-O 2.97Å; S923-L931 PolarHBondContact O-N 2.9Å; L931-W933 HydrophobicContact CB-CH2 4.48Å; L931-W933 HydrophobicContact CB-CZ2 3.59Å; L931-W933 HydrophobicContact CD1-CH2 3.97Å; L931-W933 HydrophobicContact CD1-CZ2 3.67Å; L931-W933 HydrophobicContact CG-CZ2 4.29Å
932	F	98.2	Very high	95.8	Very high	27 Å²	27	38.7 Å²	38.7	12%	0.118	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	145.2	-174.2	-60.5	-95.6	0	0	0	109.7	I921 R922 I930 Q940 V941 P944 L947 W952	I921-F932 CarbonylContact O-C 3.54Å; I921-F932 WeakPolarHBondContact O-CA 3.42Å; R922-F932 HydrophobicContact CB-CD1 3.78Å; R922-F932 HydrophobicContact CB-CE1 3.74Å; I930-F932 HydrophobicContact CB-CE2 4.44Å; I930-F932 HydrophobicContact CG2-CE2 3.72Å; I930-F932 HydrophobicContact CG2-CZ 3.72Å; F932-Q940 CarbonylContact O-C 3.56Å; F932-Q940 WeakPolarHBondContact O-CA 3.46Å; F932-V941 HydrophobicContact CB-CB 4.09Å; F932-V941 PolarHBondContact O-N 3.22Å; F932-P944 HydrophobicContact CD2-CB 3.73Å; F932-P944 HydrophobicContact CD2-CG 3.77Å; F932-P944 HydrophobicContact CE2-CB 3.67Å; F932-P944 HydrophobicContact CE2-CG 4.02Å; F932-P944 HydrophobicContact CZ-CB 4.44Å; F932-L947 HydrophobicContact CB-CD1 3.68Å; F932-L947 HydrophobicContact CD1-CD1 3.78Å; F932-L947 HydrophobicContact CG-CD1 3.94Å; F932-W952 AromaticContact CD1-CH2 3.88Å; F932-W952 HydrophobicContact CD1-CH2 3.88Å; F932-W952 AromaticContact CD1-CZ2 3.84Å; F932-W952 HydrophobicContact CD1-CZ2 3.84Å; F932-W952 HydrophobicContact CE1-CH2 4.19Å; F932-W952 AromaticContact CE1-CZ2 3.72Å; F932-W952 HydrophobicContact CE1-CZ2 3.72Å
933	W	98.4	Very high	95.6	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	146.4	-169.2	-42.7	87.1	0	0	0	112.3	C902 H905 F920 I921 S923 L931 R939 Q940	C902-W933 HydrophobicContact CB-CD2 3.59Å; C902-W933 HydrophobicContact CB-CE3 3.43Å; C902-W933 VanDerWaalsContact CB-CE3 3.43Å; C902-W933 HydrophobicContact CB-CG 4.14Å; C902-W933 HydrophobicContact CB-CH2 4.19Å; C902-W933 HydrophobicContact CB-CZ2 4.33Å; C902-W933 HydrophobicContact CB-CZ3 3.75Å; H905-W933 AromaticContact CD2-CZ2 3.89Å; F920-W933 VanDerWaalsContact CA-O 3.24Å; F920-W933 WeakPolarHBondContact CA-O 3.29Å; I921-W933 HydrophobicContact CB-CB 4.31Å; I921-W933 PolarHBondContact N-O 3.41Å; I921-W933 PolarHBondContact O-N 2.82Å; S923-W933 PolarHBondContact OG-NE1 2.6Å; L931-W933 HydrophobicContact CB-CH2 4.48Å; L931-W933 HydrophobicContact CB-CZ2 3.59Å; L931-W933 HydrophobicContact CD1-CH2 3.97Å; L931-W933 HydrophobicContact CD1-CZ2 3.67Å; L931-W933 HydrophobicContact CG-CZ2 4.29Å; W933-R939 CarbonylContact C-O 3.58Å; W933-R939 WeakPolarHBondContact CA-O 3.33Å; W933-Q940 HydrophobicContact CE3-CB 3.79Å; W933-Q940 HydrophobicContact CE3-CG 4.22Å; W933-Q940 HydrophobicContact CH2-CB 4.41Å; W933-Q940 HydrophobicContact CH2-CG 4.31Å; W933-Q940 HydrophobicContact CZ3-CB 3.62Å; W933-Q940 HydrophobicContact CZ3-CG 3.98Å
934	T	97.7	Very high	95.2	Very high	22 Å²	22	42.6 Å²	42.6	14%	0.135	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	122.7	163	38.2	0	0	0	0	109.5	F920 F936 D937 C938 R939 V941	F920-T934 HydrophobicContact CD1-CG2 3.99Å; F920-T934 HydrophobicContact CE1-CG2 3.62Å; T934-F936 HydrophobicContact CG2-CE1 3.87Å; T934-F936 HydrophobicContact CG2-CZ 4.47Å; T934-D937 WeakPolarHBondContact CB-OD1 3.21Å; T934-D937 PolarHBondContact OG1-OD1 3.21Å; T934-C938 VanDerWaalsContact O-CA 3.23Å; T934-C938 WeakPolarHBondContact O-CA 3.35Å; T934-C938 PolarHBondContact O-N 3.21Å; T934-R939 PolarHBondContact N-O 2.85Å; T934-R939 PolarHBondContact O-N 3.04Å; T934-R939 PolarHBondContact OG1-O 3.01Å; T934-V941 HydrophobicContact CG2-CG2 4.12Å
935	A	95.1	Very high	95	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.008	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-41	-171.5	0	0	0	0	0	113.3	W914 R919 I921 D937	W914-A935 HydrophobicContact CE3-CB 4.49Å; W914-A935 HydrophobicContact CH2-CB 3.74Å; W914-A935 HydrophobicContact CZ3-CB 3.38Å; R919-A935 PolarHBondContact O-N 3.44Å; I921-A935 HydrophobicContact CD1-CB 4.2Å; I921-A935 HydrophobicContact CG1-CB 4.38Å; A935-D937 VanDerWaalsContact C-N 3.29Å; A935-D937 PolarHBondContact O-N 3.18Å
936	F	94.1	Very high	94.9	Very high	124 Å²	124	49.6 Å²	49.6	54%	0.544	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.2	-172.8	69.6	-90.8	0	0	0	114.4	V899 T934	V899-F936 WeakPolarHBondContact CG1-O 3.23Å; T934-F936 HydrophobicContact CG2-CE1 3.87Å; T934-F936 HydrophobicContact CG2-CZ 4.47Å
937	D	96	Very high	95.1	Very high	50 Å²	50	49.8 Å²	49.8	27%	0.267	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128	4.6	177.8	74.2	-10.7	0	0	0	114.3	T934 A935 R939	T934-D937 WeakPolarHBondContact CB-OD1 3.21Å; T934-D937 PolarHBondContact OG1-OD1 3.21Å; A935-D937 VanDerWaalsContact C-N 3.29Å; A935-D937 PolarHBondContact O-N 3.18Å; D937-R939 HydrophobicContact CB-CG 4.46Å; D937-R939 PolarHBondContact O-N 2.65Å; D937-R939 PolarHBondContact OD1-N 3.28Å; D937-R939 WeakPolarHBondContact OD2-CD 3.43Å; D937-R939 WeakPolarHBondContact OD2-CG 3.48Å; D937-R939 IonicContact OD2-CZ 3.36Å; D937-R939 IonicContact OD2-NE 3.37Å; D937-R939 PolarHBondContact OD2-NE 3.1Å; D937-R939 IonicContact OD2-NH1 3.82Å; D937-R939 PolarHBondContact OD2-NH1 2.98Å
938	C	97.6	Very high	95.3	Very high	12 Å²	12	49.2 Å²	49.2	8%	0.081	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	26.8	178.5	-60.7	0	0	0	0	115.2	T934	T934-C938 VanDerWaalsContact O-CA 3.23Å; T934-C938 WeakPolarHBondContact O-CA 3.35Å; T934-C938 PolarHBondContact O-N 3.21Å
939	R	97.7	Very high	95.5	Very high	171 Å²	171	52.4 Å²	52.4	65%	0.645	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	150.9	-179.5	-65	-174.2	-173.2	158.3	-1.5	112.8	W933 T934 D937	W933-R939 CarbonylContact C-O 3.58Å; W933-R939 WeakPolarHBondContact CA-O 3.33Å; T934-R939 PolarHBondContact N-O 2.85Å; T934-R939 PolarHBondContact O-N 3.04Å; T934-R939 PolarHBondContact OG1-O 3.01Å; D937-R939 HydrophobicContact CB-CG 4.46Å; D937-R939 PolarHBondContact O-N 2.65Å; D937-R939 PolarHBondContact OD1-N 3.28Å; D937-R939 WeakPolarHBondContact OD2-CD 3.43Å; D937-R939 WeakPolarHBondContact OD2-CG 3.48Å; D937-R939 IonicContact OD2-CZ 3.36Å; D937-R939 IonicContact OD2-NE 3.37Å; D937-R939 PolarHBondContact OD2-NE 3.1Å; D937-R939 IonicContact OD2-NH1 3.82Å; D937-R939 PolarHBondContact OD2-NH1 2.98Å
940	Q	97.8	Very high	95.7	Very high	80 Å²	80	52.5 Å²	52.5	37%	0.374	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	130.4	175.5	-168.7	-178.2	-8.7	0	0	111.1	F932 W933 V942	F932-Q940 CarbonylContact O-C 3.56Å; F932-Q940 WeakPolarHBondContact O-CA 3.46Å; W933-Q940 HydrophobicContact CE3-CB 3.79Å; W933-Q940 HydrophobicContact CE3-CG 4.22Å; W933-Q940 HydrophobicContact CH2-CB 4.41Å; W933-Q940 HydrophobicContact CH2-CG 4.31Å; W933-Q940 HydrophobicContact CZ3-CB 3.62Å; W933-Q940 HydrophobicContact CZ3-CG 3.98Å; Q940-V942 HydrophobicContact CB-CG1 4.49Å; Q940-V942 HydrophobicContact CG-CG1 4.34Å; Q940-V942 PolarHBondContact O-N 3.23Å
941	V	97.3	Very high	95.6	Very high	25 Å²	25	57.1 Å²	57.1	15%	0.152	30%	0.295	C	S	.	.			trans	-82.6	94.7	169.1	-176.8	0	0	0	0	108.5	F920 F932 T934 S943 L947	F920-V941 HydrophobicContact CD1-CG2 4.16Å; F920-V941 HydrophobicContact CE1-CG2 4.14Å; F932-V941 HydrophobicContact CB-CB 4.09Å; F932-V941 PolarHBondContact O-N 3.22Å; T934-V941 HydrophobicContact CG2-CG2 4.12Å; V941-S943 PolarHBondContact O-N 2.87Å; V941-L947 HydrophobicContact CB-CD1 4.14Å; V941-L947 HydrophobicContact CG1-CD1 3.92Å; V941-L947 HydrophobicContact CG1-CG 4.17Å; V941-L947 HydrophobicContact CG2-CD1 4.31Å
942	V	94.7	Very high	95.5	Very high	114 Å²	114	57 Å²	57	69%	0.691	29%	0.293	S	S	*	.	S	Bend	trans	-72.8	-1.8	-175.4	-61.3	0	0	0	0	114.9	Q940	Q940-V942 HydrophobicContact CB-CG1 4.49Å; Q940-V942 HydrophobicContact CG-CG1 4.34Å; Q940-V942 PolarHBondContact O-N 3.23Å
943	S	93.8	Very high	95.4	Very high	60 Å²	60	58 Å²	58	42%	0.42	31%	0.307	S	S	.	.			trans	-124.1	72.6	177.1	-59.2	0	0	0	0	111.3	V941 S945 T946	V941-S943 PolarHBondContact O-N 2.87Å; S943-S945 PolarHBondContact O-N 3.04Å; S943-T946 PolarHBondContact O-N 3.49Å; S943-T946 PolarHBondContact O-OG1 3.3Å
944	P	90.8	Very high	95.3	Very high	26 Å²	26	59.8 Å²	59.8	17%	0.169	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-56.1	-24	-175.7	-27.7	36.6	0	0	0	114.8	Y385 F932 T946 L947	Y385-P944 HydrophobicContact CD2-CB 3.89Å; Y385-P944 HydrophobicContact CE2-CB 3.65Å; Y385-P944 HydrophobicContact CE2-CG 4.28Å; F932-P944 HydrophobicContact CD2-CB 3.73Å; F932-P944 HydrophobicContact CD2-CG 3.77Å; F932-P944 HydrophobicContact CE2-CB 3.67Å; F932-P944 HydrophobicContact CE2-CG 4.02Å; F932-P944 HydrophobicContact CZ-CB 4.44Å; P944-T946 PolarHBondContact O-N 2.73Å; P944-T946 VanDerWaalsContact O-N 3.12Å; P944-L947 PolarHBondContact O-N 3.07Å
945	S	92.1	Very high	95.2	Very high	49 Å²	49	58.9 Å²	58.9	34%	0.343	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-56.8	-20.3	173.4	53.1	0	0	0	0	114.5	S943 R948	S943-S945 PolarHBondContact O-N 3.04Å; S945-R948 PolarHBondContact O-NE 2.99Å
946	T	94.7	Very high	95.4	Very high	100 Å²	100	61.3 Å²	61.3	61%	0.613	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-83.7	-9	174.5	68.6	0	0	0	0	113.6	S943 P944	S943-T946 PolarHBondContact O-N 3.49Å; S943-T946 PolarHBondContact O-OG1 3.3Å; P944-T946 PolarHBondContact O-N 2.73Å; P944-T946 VanDerWaalsContact O-N 3.12Å
947	L	95.4	Very high	95.5	Very high	15 Å²	15	55.4 Å²	55.4	8%	0.079	30%	0.303	C	S	.	.	S	Bend	trans	-109.2	7.1	179.6	-52.8	-178	0	0	0	112.5	F920 F932 V941 P944 D949 L950	F920-L947 HydrophobicContact CD1-CD1 4.29Å; F920-L947 HydrophobicContact CD1-CD2 4.12Å; F920-L947 HydrophobicContact CE1-CD2 3.89Å; F920-L947 HydrophobicContact CE2-CD2 4.49Å; F920-L947 HydrophobicContact CZ-CD2 4.09Å; F932-L947 HydrophobicContact CB-CD1 3.68Å; F932-L947 HydrophobicContact CD1-CD1 3.78Å; F932-L947 HydrophobicContact CG-CD1 3.94Å; V941-L947 HydrophobicContact CB-CD1 4.14Å; V941-L947 HydrophobicContact CG1-CD1 3.92Å; V941-L947 HydrophobicContact CG1-CG 4.17Å; V941-L947 HydrophobicContact CG2-CD1 4.31Å; P944-L947 PolarHBondContact O-N 3.07Å; L947-D949 PolarHBondContact O-N 2.88Å; L947-L950 HydrophobicContact CB-CB 4.43Å; L947-L950 HydrophobicContact CB-CD2 4.45Å; L947-L950 HydrophobicContact CD2-CD2 4.28Å; L947-L950 VanDerWaalsContact O-CB 3.25Å; L947-L950 WeakPolarHBondContact O-CB 3.22Å; L947-L950 PolarHBondContact O-N 3.15Å; L947-L950 VanDerWaalsContact O-N 3.1Å
948	R	94.2	Very high	95.6	Very high	45 Å²	45	53.2 Å²	53.2	17%	0.17	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-26	-176.7	71	176.9	58.3	-132.5	13	114.5	D370 M386 P387 T388 S945	D370-R948 PolarHBondContact O-NH1 3.11Å; D370-R948 PolarHBondContact O-NH2 3.5Å; M386-R948 WeakPolarHBondContact O-CD 3.5Å; M386-R948 PolarHBondContact O-NH1 2.96Å; P387-R948 WeakPolarHBondContact CA-O 3.32Å; P387-R948 WeakPolarHBondContact CG-O 3.48Å; T388-R948 VanDerWaalsContact OG1-CD 3.27Å; T388-R948 WeakPolarHBondContact OG1-CD 3.44Å; S945-R948 PolarHBondContact O-NE 2.99Å
949	D	95.3	Very high	95.4	Very high	89 Å²	89	52.8 Å²	52.8	48%	0.476	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	13.6	-179	-63.1	-61.3	0	0	0	111.8	P387 T388 L947	P387-D949 WeakPolarHBondContact CA-OD1 3.33Å; T388-D949 WeakPolarHBondContact CB-OD2 3.38Å; T388-D949 PolarHBondContact N-OD1 3.28Å; T388-D949 PolarHBondContact OG1-OD1 2.82Å; T388-D949 PolarHBondContact OG1-OD2 2.76Å; L947-D949 PolarHBondContact O-N 2.88Å
950	L	94.6	Very high	95.3	Very high	37 Å²	37	44.9 Å²	44.9	19%	0.194	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-86.4	132.3	176.9	-174.4	65.3	0	0	0	110.5	F920 L947 W952	F920-L950 HydrophobicContact CB-CD2 3.86Å; F920-L950 HydrophobicContact CD2-CD1 4.39Å; F920-L950 HydrophobicContact CD2-CD2 3.62Å; F920-L950 HydrophobicContact CE2-CD2 4.39Å; F920-L950 HydrophobicContact CG-CD2 3.88Å; L947-L950 HydrophobicContact CB-CB 4.43Å; L947-L950 HydrophobicContact CB-CD2 4.45Å; L947-L950 HydrophobicContact CD2-CD2 4.28Å; L947-L950 VanDerWaalsContact O-CB 3.25Å; L947-L950 WeakPolarHBondContact O-CB 3.22Å; L947-L950 PolarHBondContact O-N 3.15Å; L947-L950 VanDerWaalsContact O-N 3.1Å; L950-W952 HydrophobicContact CD2-CH2 3.9Å; L950-W952 HydrophobicContact CD2-CZ2 3.93Å; L950-W952 PolarHBondContact O-NE1 2.96Å
951	E	94.8	Very high	95.1	Very high	124 Å²	124	41.7 Å²	41.7	58%	0.579	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-83.2	132.8	175.9	-164	176.2	-179.3	0	0	111.6	S915 V916	S915-E951 WeakPolarHBondContact CA-O 3.48Å; V916-E951 HydrophobicContact CB-CB 4.5Å; V916-E951 HydrophobicContact CG2-CB 3.92Å; V916-E951 HydrophobicContact CG2-CG 3.73Å; V916-E951 PolarHBondContact N-O 3.39Å
952	W	96.2	Very high	95	Very high	24 Å²	24	41.8 Å²	41.8	9%	0.091	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-97.6	131.7	178.3	-59.8	97.8	0	0	0	110.4	D913 F920 R922 F932 L950 S954 E962	D913-W952 HydrophobicContact CB-CE3 4.49Å; F920-W952 HydrophobicContact CB-CH2 4.3Å; F920-W952 HydrophobicContact CB-CZ3 4.48Å; R922-W952 HydrophobicContact CB-CE3 4.23Å; R922-W952 HydrophobicContact CB-CH2 3.7Å; R922-W952 HydrophobicContact CB-CZ2 4.1Å; R922-W952 HydrophobicContact CB-CZ3 3.77Å; R922-W952 HydrophobicContact CG-CD2 4.02Å; R922-W952 HydrophobicContact CG-CE3 3.68Å; R922-W952 HydrophobicContact CG-CH2 4.09Å; R922-W952 HydrophobicContact CG-CZ2 4.37Å; R922-W952 HydrophobicContact CG-CZ3 3.73Å; R922-W952 VanDerWaalsContact CZ-CG 3.48Å; F932-W952 AromaticContact CD1-CH2 3.88Å; F932-W952 HydrophobicContact CD1-CH2 3.88Å; F932-W952 AromaticContact CD1-CZ2 3.84Å; F932-W952 HydrophobicContact CD1-CZ2 3.84Å; F932-W952 HydrophobicContact CE1-CH2 4.19Å; F932-W952 AromaticContact CE1-CZ2 3.72Å; F932-W952 HydrophobicContact CE1-CZ2 3.72Å; L950-W952 HydrophobicContact CD2-CH2 3.9Å; L950-W952 HydrophobicContact CD2-CZ2 3.93Å; L950-W952 PolarHBondContact O-NE1 2.96Å; W952-S954 VanDerWaalsContact C-N 3.27Å; W952-S954 PolarHBondContact O-N 3.36Å; W952-E962 VanDerWaalsContact CD1-OE1 3.27Å
953	A	95.6	Very high	95.1	Very high	49 Å²	49	36.3 Å²	36.3	41%	0.405	21%	0.21	S	C	.	.	S	Bend	trans	-70.1	-25.9	-176.1	0	0	0	0	0	113	P870 W914 V916	P870-A953 HydrophobicContact CG-CB 3.51Å; W914-A953 WeakPolarHBondContact O-CB 3.22Å; W914-A953 PolarHBondContact O-N 3.05Å; V916-A953 HydrophobicContact CG2-CB 4.23Å
954	S	95.1	Very high	95.1	Very high	39 Å²	39	34 Å²	34	27%	0.273	19%	0.194	S	C	.	.			trans	-138.5	160.2	-179.6	55.2	0	0	0	0	110.8	D913 R922 W952	D913-S954 WeakPolarHBondContact CB-OG 3.19Å; D913-S954 VanDerWaalsContact OD1-C 3.3Å; D913-S954 WeakPolarHBondContact OD1-CB 3.39Å; D913-S954 PolarHBondContact OD1-OG 3.37Å; R922-S954 PolarHBondContact NH2-O 3.38Å; W952-S954 VanDerWaalsContact C-N 3.27Å; W952-S954 PolarHBondContact O-N 3.36Å
955	Q	97.4	Very high	95.3	Very high	3 Å²	3	33 Å²	33	1%	0.014	19%	0.188	C	C	.	.			trans	-125.3	62.2	175.1	-170.5	64	57.5	0	0	109.9	R922 C957 V963 C979 R981 L988 Y1002	R922-Q955 VanDerWaalsContact NH2-NE2 3.16Å; Q955-C957 PolarHBondContact NE2-O 2.91Å; Q955-V963 HydrophobicContact CG-CG1 3.58Å; Q955-C979 CarbonylContact O-C 3.54Å; Q955-C979 PolarHBondContact O-SG 2.81Å; Q955-R981 HydrophobicContact CB-CB 4.02Å; Q955-L988 HydrophobicContact CB-CD1 4.48Å; Q955-L988 HydrophobicContact CG-CD1 3.85Å; Q955-Y1002 HydrophobicContact CG-CE2 4.22Å
956	T	97.3	Very high	95.4	Very high	51 Å²	51	30.9 Å²	30.9	31%	0.313	17%	0.173	S	C	.	.			trans	-87.4	-25.6	171.4	68.6	0	0	0	0	111.9	I912 D913 T958	I912-T956 PolarHBondContact O-OG1 2.62Å; I912-T956 VanDerWaalsContact O-OG1 3.1Å; D913-T956 WeakPolarHBondContact OD1-CB 3.24Å; D913-T956 PolarHBondContact OD1-N 2.82Å; D913-T956 PolarHBondContact OD1-OG1 3.29Å; D913-T956 PolarHBondContact OD2-N 3.23Å; T956-T958 PolarHBondContact O-N 3.28Å; T956-T958 VanDerWaalsContact O-N 3.14Å
957	C	97.8	Very high	95.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	15%	0.148	C	C	.	.			trans	-67	112.3	176.3	-68.6	0	0	0	0	110.9	H911 D913 V924 Q955 L959	H911-C957 HydrophobicContact CB-CB 4.38Å; D913-C957 VanDerWaalsContact OD2-CB 3.29Å; D913-C957 WeakPolarHBondContact OD2-CB 3.45Å; D913-C957 PolarHBondContact OD2-N 3.07Å; D913-C957 PolarHBondContact OD2-SG 3.31Å; V924-C957 HydrophobicContact CG2-CB 3.81Å; Q955-C957 PolarHBondContact NE2-O 2.91Å; C957-L959 PolarHBondContact O-N 3.06Å
958	T	96.6	Very high	94.8	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.025	16%	0.157	C	C	.	.	S	Bend	trans	-69.7	-12.7	175.5	53	0	0	0	0	113.9	H911 T956 V963 W967 V976	H911-T958 PolarHBondContact CD2-OG1 2.86Å; H911-T958 WeakPolarHBondContact NE2-CG2 2.86Å; H911-T958 PolarHBondContact NE2-OG1 2.96Å; T956-T958 PolarHBondContact O-N 3.28Å; T956-T958 VanDerWaalsContact O-N 3.14Å; T958-V963 WeakPolarHBondContact O-CG2 3.16Å; T958-W967 PolarHBondContact O-NE1 2.93Å; T958-V976 HydrophobicContact CG2-CG1 4.28Å
959	L	95	Very high	94.1	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	19%	0.186	C	C	.	.	S	Bend	trans	-114.2	122.6	169.7	-55	-178.6	0	0	0	110.2	F375 I377 V924 I930 C957 W967	F375-L959 HydrophobicContact CE2-CD2 4.1Å; F375-L959 HydrophobicContact CZ-CD2 4.08Å; I377-L959 HydrophobicContact CD1-CD2 3.48Å; I377-L959 VanDerWaalsContact CD1-CD2 3.48Å; V924-L959 HydrophobicContact CG1-CB 4.35Å; V924-L959 HydrophobicContact CG1-CD1 3.81Å; V924-L959 HydrophobicContact CG1-CG 3.97Å; V924-L959 HydrophobicContact CG2-CB 3.88Å; V924-L959 HydrophobicContact CG2-CG 4.41Å; I930-L959 HydrophobicContact CD1-CB 3.72Å; I930-L959 HydrophobicContact CG1-CB 3.79Å; I930-L959 HydrophobicContact CG1-CD1 4.3Å; C957-L959 PolarHBondContact O-N 3.06Å; L959-W967 HydrophobicContact CD2-CZ2 3.74Å
960	G	94.7	Very high	93.2	Very high	6 Å²	6	33.4 Å²	33.4	6%	0.062	20%	0.196	C	C	.	.	S	Bend	trans	-178.6	172.3	-177.8	0	0	0	0	0	110.7	E962 A964	G960-E962 VanDerWaalsContact C-N 3.29Å; G960-A964 PolarHBondContact O-N 3.04Å
961	W	94	Very high	92.5	Very high	13 Å²	13	32.3 Å²	32.3	5%	0.049	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-39.2	174.2	154.8	-107	0	0	0	110.9	L373 V384 Y385 M386 P387 I390 Y394 V963 N1005	L373-W961 HydrophobicContact CB-CE3 4.07Å; L373-W961 HydrophobicContact CB-CZ3 3.9Å; L373-W961 HydrophobicContact CD2-CE3 4.1Å; L373-W961 HydrophobicContact CD2-CZ3 3.86Å; L373-W961 HydrophobicContact CG-CZ3 4.4Å; V384-W961 HydrophobicContact CB-CB 4.27Å; V384-W961 HydrophobicContact CG2-CB 4.34Å; Y385-W961 WeakPolarHBondContact O-CB 3.47Å; M386-W961 HydrophobicContact CB-CD2 4.17Å; M386-W961 HydrophobicContact CB-CE3 4.06Å; M386-W961 HydrophobicContact CB-CH2 4.13Å; M386-W961 HydrophobicContact CB-CZ2 4.27Å; M386-W961 HydrophobicContact CB-CZ3 4.03Å; M386-W961 HydrophobicContact CE-CH2 3.49Å; M386-W961 VanDerWaalsContact CE-CH2 3.49Å; M386-W961 HydrophobicContact CE-CZ2 4.34Å; M386-W961 HydrophobicContact CE-CZ3 3.72Å; M386-W961 HydrophobicContact CG-CD2 4.2Å; M386-W961 HydrophobicContact CG-CE3 4.31Å; M386-W961 HydrophobicContact CG-CH2 3.58Å; M386-W961 HydrophobicContact CG-CZ2 3.48Å; M386-W961 VanDerWaalsContact CG-CZ2 3.48Å; M386-W961 HydrophobicContact CG-CZ3 4.02Å; M386-W961 HydrophobicContact SD-CH2 3.67Å; M386-W961 HydrophobicContact SD-CZ2 3.94Å; M386-W961 HydrophobicContact SD-CZ3 4.36Å; P387-W961 VanDerWaalsContact CD-NE1 3.29Å; I390-W961 HydrophobicContact CD1-CZ2 4.49Å; I390-W961 HydrophobicContact CG2-CZ2 4.35Å; Y394-W961 AromaticContact CD2-CH2 3.56Å; Y394-W961 HydrophobicContact CD2-CH2 3.56Å; Y394-W961 HydrophobicContact CD2-CZ2 4.27Å; Y394-W961 HydrophobicContact CE1-CH2 4.42Å; Y394-W961 AromaticContact CE2-CH2 3.37Å; Y394-W961 HydrophobicContact CE2-CH2 3.37Å; Y394-W961 HydrophobicContact CE2-CZ2 4.25Å; Y394-W961 HydrophobicContact CE2-CZ3 4.11Å; Y394-W961 HydrophobicContact CG-CH2 4.16Å; Y394-W961 AromaticContact CZ-CH2 3.84Å; W961-V963 PolarHBondContact O-N 3.1Å; W961-N1005 HydrophobicContact CD2-CB 4.39Å; W961-N1005 HydrophobicContact CE3-CB 4.47Å; W961-N1005 HydrophobicContact CH2-CB 4.08Å; W961-N1005 HydrophobicContact CZ2-CB 3.95Å; W961-N1005 WeakPolarHBondContact CZ2-ND2 3.18Å; W961-N1005 HydrophobicContact CZ3-CB 4.32Å; W961-N1005 VanDerWaalsContact O-CB 3.29Å; W961-N1005 WeakPolarHBondContact O-CB 3.47Å
962	E	95.7	Very high	91.7	Very high	26 Å²	26	28.7 Å²	28.7	12%	0.121	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-12.1	-172.2	-47.7	92.9	134.5	0	0	113.1	R922 W952 G960 Y1002 P1003 T1004	R922-E962 IonicContact CZ-OE1 3.71Å; R922-E962 IonicContact NH1-OE1 2.87Å; R922-E962 PolarHBondContact NH1-OE1 2.96Å; R922-E962 IonicContact NH1-OE2 3.75Å; R922-E962 PolarHBondContact NH1-OE2 2.85Å; W952-E962 VanDerWaalsContact CD1-OE1 3.27Å; G960-E962 VanDerWaalsContact C-N 3.29Å; E962-Y1002 HydrophobicContact CB-CE2 3.82Å; E962-P1003 HydrophobicContact CB-CB 4.29Å; E962-P1003 CarbonylContact O-C 3.58Å; E962-T1004 PolarHBondContact O-N 2.53Å
963	V	96.2	Very high	91	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.9	3.5	-171.5	-59.6	0	0	0	0	114.3	Q955 T958 W961 G965 I966 L988 T1004	Q955-V963 HydrophobicContact CG-CG1 3.58Å; T958-V963 WeakPolarHBondContact O-CG2 3.16Å; W961-V963 PolarHBondContact O-N 3.1Å; V963-G965 PolarHBondContact O-N 3.09Å; V963-I966 HydrophobicContact CB-CD1 4.3Å; V963-I966 HydrophobicContact CB-CG2 4.32Å; V963-I966 WeakPolarHBondContact O-CG1 3.28Å; V963-I966 WeakPolarHBondContact O-CG2 3.27Å; V963-I966 PolarHBondContact O-N 2.94Å; V963-L988 HydrophobicContact CB-CD2 4.33Å; V963-L988 HydrophobicContact CG1-CD1 4.1Å; V963-L988 HydrophobicContact CG1-CD2 3.72Å; V963-T1004 CarbonylContact C-O 3.53Å; V963-T1004 VanDerWaalsContact C-O 3.24Å; V963-T1004 WeakPolarHBondContact CA-O 3.25Å
964	A	93.9	Very high	90.4	Very high	11 Å²	11	28.5 Å²	28.5	9%	0.091	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-53.6	-25	-175.4	0	0	0	0	0	114.6	L373 F375 V384 G960 T1004	L373-A964 HydrophobicContact CD2-CB 3.9Å; F375-A964 HydrophobicContact CD1-CB 3.89Å; F375-A964 HydrophobicContact CE1-CB 3.79Å; F375-A964 HydrophobicContact CZ-CB 4.33Å; V384-A964 HydrophobicContact CG2-CB 4.43Å; G960-A964 PolarHBondContact O-N 3.04Å; A964-T1004 PolarHBondContact N-O 3.08Å
965	G	93.7	Very high	90.1	Very high	4 Å²	4	27.1 Å²	27.1	4%	0.041	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-83.9	-4.4	179.8	0	0	0	0	0	116.9	V963 W967 T1004 K1006	V963-G965 PolarHBondContact O-N 3.09Å; G965-W967 PolarHBondContact O-N 3.22Å; G965-T1004 WeakPolarHBondContact CA-O 3.37Å; G965-T1004 PolarHBondContact N-O 2.98Å; G965-K1006 WeakPolarHBondContact CA-O 3.21Å
966	I	95.2	Very high	90	Very high	5 Å²	5	27.2 Å²	27.2	3%	0.026	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-71.2	-22.1	178.7	71.4	-175.3	0	0	0	113	V963 V976 L988 T990 F1000 T1004	V963-I966 HydrophobicContact CB-CD1 4.3Å; V963-I966 HydrophobicContact CB-CG2 4.32Å; V963-I966 WeakPolarHBondContact O-CG1 3.28Å; V963-I966 WeakPolarHBondContact O-CG2 3.27Å; V963-I966 PolarHBondContact O-N 2.94Å; I966-V976 HydrophobicContact CD1-CG1 4Å; I966-L988 HydrophobicContact CG2-CD2 3.52Å; I966-T990 HydrophobicContact CB-CG2 4.06Å; I966-T990 HydrophobicContact CD1-CG2 4.15Å; I966-T990 HydrophobicContact CG2-CG2 3.82Å; I966-F1000 HydrophobicContact CB-CE2 4.24Å; I966-F1000 HydrophobicContact CB-CZ 4.11Å; I966-F1000 HydrophobicContact CG2-CD2 4.27Å; I966-F1000 HydrophobicContact CG2-CE2 4.09Å; I966-F1000 HydrophobicContact CG2-CZ 4.26Å; I966-T1004 HydrophobicContact CG2-CG2 3.92Å
967	W	91.9	Very high	89.9	Confident	21 Å²	21	26.3 Å²	26.3	8%	0.08	16%	0.157	C	C	.	.	S	Bend	trans	-82.5	129	-171.4	-65.3	97.9	0	0	0	112	I377 T958 L959 G965 S971 G973 V976	I377-W967 HydrophobicContact CD1-CD2 4.09Å; I377-W967 HydrophobicContact CD1-CG 4.34Å; I377-W967 HydrophobicContact CD1-CZ2 4.42Å; T958-W967 PolarHBondContact O-NE1 2.93Å; L959-W967 HydrophobicContact CD2-CZ2 3.74Å; G965-W967 PolarHBondContact O-N 3.22Å; W967-S971 VanDerWaalsContact CE3-OG 3.26Å; W967-G973 WeakPolarHBondContact CH2-O 3.38Å; W967-V976 HydrophobicContact CD2-CG2 4.33Å; W967-V976 HydrophobicContact CE3-CB 4.12Å; W967-V976 HydrophobicContact CE3-CG2 3.79Å; W967-V976 HydrophobicContact CH2-CB 3.82Å; W967-V976 HydrophobicContact CH2-CG2 4.41Å; W967-V976 HydrophobicContact CZ2-CB 4.3Å; W967-V976 HydrophobicContact CZ3-CB 3.71Å; W967-V976 HydrophobicContact CZ3-CG2 3.84Å
968	P	85.6	Confident	89.9	Confident	42 Å²	42	26.6 Å²	26.6	27%	0.273	16%	0.16	S	C	.	.			trans	-56	151.1	169.9	-26	34.2	0	0	0	113.2	D970 S971	P968-D970 PolarHBondContact O-N 3.41Å; P968-S971 WeakPolarHBondContact O-CB 3.37Å; P968-S971 PolarHBondContact O-N 2.92Å
969	S	79	Confident	90	Very high	110 Å²	110	26.5 Å²	26.5	77%	0.769	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-23.2	179	47.6	0	0	0	0	114.2
970	D	76.2	Confident	90.2	Very high	130 Å²	130	27 Å²	27	70%	0.695	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.4	11.4	173.6	52.7	-24.9	0	0	0	112.7	P968	P968-D970 PolarHBondContact O-N 3.41Å
971	S	80.7	Confident	90.3	Very high	13 Å²	13	30.3 Å²	30.3	9%	0.091	17%	0.173	C	C	.	.			trans	-63.7	139.8	-172.9	-178	0	0	0	0	114.2	W967 P968 G973 D975	W967-S971 VanDerWaalsContact CE3-OG 3.26Å; P968-S971 WeakPolarHBondContact O-CB 3.37Å; P968-S971 PolarHBondContact O-N 2.92Å; S971-G973 PolarHBondContact OG-N 2.86Å; S971-D975 WeakPolarHBondContact CA-OD2 3.37Å; S971-D975 VanDerWaalsContact CB-OD2 3.26Å; S971-D975 WeakPolarHBondContact CB-OD2 3.32Å; S971-D975 PolarHBondContact OG-OD2 3.23Å
972	D	78.9	Confident	90.5	Very high	49 Å²	49	29.8 Å²	29.8	26%	0.262	17%	0.171	S	C	.	.			trans	-95.3	4.1	173.5	99	-20.5	0	0	0	113.2	R378 Y928 T974 D975	R378-D972 VanDerWaalsContact CD-O 3.29Å; R378-D972 WeakPolarHBondContact CD-O 3.36Å; R378-D972 HydrophobicContact CG-CB 4.13Å; R378-D972 VanDerWaalsContact CG-O 3.27Å; R378-D972 WeakPolarHBondContact CG-O 3.34Å; R378-D972 IonicContact CZ-OD2 3.55Å; R378-D972 PolarHBondContact NE-O 2.97Å; R378-D972 IonicContact NE-OD2 3.58Å; R378-D972 PolarHBondContact NH2-O 2.84Å; R378-D972 IonicContact NH2-OD1 3.75Å; R378-D972 IonicContact NH2-OD2 3.27Å; R378-D972 PolarHBondContact NH2-OD2 2.85Å; Y928-D972 PolarHBondContact OH-O 2.86Å; D972-T974 VanDerWaalsContact CG-OG1 3.27Å; D972-T974 PolarHBondContact O-N 2.72Å; D972-T974 WeakPolarHBondContact OD1-CA 3.48Å; D972-T974 PolarHBondContact OD1-N 3.02Å; D972-T974 PolarHBondContact OD1-OG1 2.97Å; D972-T974 PolarHBondContact OD2-OG1 2.91Å; D972-D975 PolarHBondContact N-OD2 2.8Å
973	G	79.6	Confident	90.4	Very high	7 Å²	7	31.9 Å²	31.9	7%	0.072	19%	0.187	C	C	.	.	S	Bend	trans	74.6	-3.3	177.2	0	0	0	0	0	115.2	I377 Y928 W967 S971	I377-G973 VanDerWaalsContact CG2-CA 3.45Å; Y928-G973 WeakPolarHBondContact CE1-O 3.33Å; W967-G973 WeakPolarHBondContact CH2-O 3.38Å; S971-G973 PolarHBondContact OG-N 2.86Å
974	T	84.6	Confident	90.2	Very high	61 Å²	61	36.6 Å²	36.6	37%	0.374	22%	0.216	S	C	.	.			trans	-101.9	-6.2	165.6	30.1	0	0	0	0	112.7	R378 D972 V976	R378-T974 PolarHBondContact NH2-OG1 2.9Å; R378-T974 VanDerWaalsContact NH2-OG1 3.16Å; D972-T974 VanDerWaalsContact CG-OG1 3.27Å; D972-T974 PolarHBondContact O-N 2.72Å; D972-T974 WeakPolarHBondContact OD1-CA 3.48Å; D972-T974 PolarHBondContact OD1-N 3.02Å; D972-T974 PolarHBondContact OD1-OG1 2.97Å; D972-T974 PolarHBondContact OD2-OG1 2.91Å; T974-V976 VanDerWaalsContact C-N 3.3Å; T974-V976 PolarHBondContact O-N 3.25Å
975	D	88.3	Confident	90.2	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.053	22%	0.221	C	C	.	.	S	Bend	trans	-62	-27.6	-177.1	-55.5	-71.7	0	0	0	115.5	S971 D972 D992 D993 Y994	S971-D975 WeakPolarHBondContact CA-OD2 3.37Å; S971-D975 VanDerWaalsContact CB-OD2 3.26Å; S971-D975 WeakPolarHBondContact CB-OD2 3.32Å; S971-D975 PolarHBondContact OG-OD2 3.23Å; D972-D975 PolarHBondContact N-OD2 2.8Å; D975-D992 CarbonylContact O-C 3.52Å; D975-D992 WeakPolarHBondContact O-CA 3.41Å; D975-D992 WeakPolarHBondContact O-CB 3.27Å; D975-D993 PolarHBondContact O-N 2.83Å; D975-Y994 HydrophobicContact CB-CE2 4.17Å; D975-Y994 PolarHBondContact OD1-OH 2.84Å
976	V	94.9	Very high	90.3	Very high	6 Å²	6	42.6 Å²	42.6	4%	0.036	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	111.3	-175.3	-174.9	0	0	0	0	109.3	T958 I966 W967 T974 T990	T958-V976 HydrophobicContact CG2-CG1 4.28Å; I966-V976 HydrophobicContact CD1-CG1 4Å; W967-V976 HydrophobicContact CD2-CG2 4.33Å; W967-V976 HydrophobicContact CE3-CB 4.12Å; W967-V976 HydrophobicContact CE3-CG2 3.79Å; W967-V976 HydrophobicContact CH2-CB 3.82Å; W967-V976 HydrophobicContact CH2-CG2 4.41Å; W967-V976 HydrophobicContact CZ2-CB 4.3Å; W967-V976 HydrophobicContact CZ3-CB 3.71Å; W967-V976 HydrophobicContact CZ3-CG2 3.84Å; T974-V976 VanDerWaalsContact C-N 3.3Å; T974-V976 PolarHBondContact O-N 3.25Å; V976-T990 HydrophobicContact CG1-CG2 4.49Å
977	N	96.2	Very high	90.4	Very high	31 Å²	31	42.6 Å²	42.6	17%	0.166	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-31.3	-172.7	-72.8	-65.3	0	0	0	113.1	W736 H911 G991 D993 V1021	W736-N977 HydrophobicContact CZ3-CB 4.35Å; H911-N977 PolarHBondContact CE1-O 2.88Å; H911-N977 VanDerWaalsContact CE1-O 3.26Å; N977-G991 PolarHBondContact N-O 2.96Å; N977-D993 PolarHBondContact ND2-OD1 3.14Å; N977-V1021 WeakPolarHBondContact CB-O 3.15Å
978	A	97.8	Very high	90.7	Very high	7 Å²	7	41.6 Å²	41.6	6%	0.058	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	154.1	-176.1	0	0	0	0	0	112.4	T990 G991 V1024	A978-T990 CarbonylContact O-C 3.36Å; A978-T990 VanDerWaalsContact O-CA 3.26Å; A978-T990 WeakPolarHBondContact O-CA 3.13Å; A978-G991 PolarHBondContact O-N 3.17Å; A978-V1024 HydrophobicContact CB-CG2 4.17Å
979	C	98.3	Very high	91.4	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.02	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	158.4	164.7	63.7	0	0	0	0	111.5	Q955 L988 A989 T990	Q955-C979 CarbonylContact O-C 3.54Å; Q955-C979 PolarHBondContact O-SG 2.81Å; C979-L988 HydrophobicContact CB-CD1 4.4Å; C979-A989 CarbonylContact C-O 3.55Å; C979-A989 WeakPolarHBondContact CA-O 3.33Å; C979-A989 WeakPolarHBondContact CB-O 3.44Å; C979-T990 HydrophobicContact CB-CG2 3.93Å
980	D	98.4	Very high	92.3	Very high	11 Å²	11	34.3 Å²	34.3	6%	0.059	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	151.3	169.4	-168.5	14.5	0	0	0	110.1	K740 L988 A989 T1025 F1026	K740-D980 IonicContact NZ-OD1 3.67Å; K740-D980 PolarHBondContact NZ-OD1 2.9Å; K740-D980 IonicContact NZ-OD2 3.7Å; K740-D980 PolarHBondContact NZ-OD2 3Å; D980-L988 WeakPolarHBondContact O-CD1 3.49Å; D980-A989 PolarHBondContact N-O 3.07Å; D980-A989 PolarHBondContact O-N 2.68Å; D980-T1025 WeakPolarHBondContact OD2-CA 3.44Å; D980-T1025 WeakPolarHBondContact OD2-CB 3.48Å; D980-T1025 PolarHBondContact OD2-OG1 2.94Å; D980-F1026 HydrophobicContact CB-CD2 4.33Å; D980-F1026 WeakPolarHBondContact O-CE2 3.29Å; D980-F1026 PolarHBondContact OD2-N 3.13Å
981	R	97.8	Very high	93.3	Very high	77 Å²	77	28.1 Å²	28.1	29%	0.291	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	139.8	177.1	-174.1	179	75.7	126.9	-14	109.4	Q955 L988 Y1002 F1026	Q955-R981 HydrophobicContact CB-CB 4.02Å; R981-L988 HydrophobicContact CB-CD1 4.36Å; R981-Y1002 VanDerWaalsContact CD-CZ 3.41Å; R981-Y1002 HydrophobicContact CG-CD1 4.29Å; R981-Y1002 HydrophobicContact CG-CD2 4.04Å; R981-Y1002 HydrophobicContact CG-CE1 4.49Å; R981-Y1002 HydrophobicContact CG-CE2 4.25Å; R981-Y1002 HydrophobicContact CG-CG 4.05Å; R981-F1026 VanDerWaalsContact C-CD2 3.48Å
982	S	97.1	Very high	94	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.014	16%	0.158	C	C	.	.			trans	-65.3	136.1	170.9	174	0	0	0	0	110.4	T984 A985 I987	S982-T984 PolarHBondContact O-N 2.66Å; S982-T984 PolarHBondContact OG-N 2.67Å; S982-A985 WeakPolarHBondContact CB-O 3.15Å; S982-A985 PolarHBondContact OG-N 3.13Å; S982-I987 VanDerWaalsContact CB-CG1 3.47Å; S982-I987 PolarHBondContact N-O 2.74Å; S982-I987 VanDerWaalsContact N-O 3.07Å
983	P	94	Very high	94.7	Very high	69 Å²	69	26.2 Å²	26.2	45%	0.448	15%	0.151	S	C	.	.	S	Bend	trans	-70.6	-14.6	176.4	29.8	-35.5	0	0	0	113.2	Y1028	P983-Y1028 WeakPolarHBondContact CG-O 3.42Å
984	T	92.6	Very high	95.2	Very high	99 Å²	99	30.2 Å²	30.2	61%	0.607	16%	0.164	S	C	*	.	S	Bend	trans	-128.4	-6.3	-168.9	48.6	0	0	0	0	115	S982 D1029	S982-T984 PolarHBondContact O-N 2.66Å; S982-T984 PolarHBondContact OG-N 2.67Å; T984-D1029 VanDerWaalsContact CG2-O 3.22Å; T984-D1029 WeakPolarHBondContact CG2-O 3.44Å; T984-D1029 PolarHBondContact OG1-O 2.84Å
985	A	93.1	Very high	95.7	Very high	24 Å²	24	27.3 Å²	27.3	20%	0.198	15%	0.147	C	C	.	.	S	Bend	trans	-143	153.3	-179.9	0	0	0	0	0	112.2	S982 I987	S982-A985 WeakPolarHBondContact CB-O 3.15Å; S982-A985 PolarHBondContact OG-N 3.13Å; A985-I987 HydrophobicContact CB-CD1 4.1Å; A985-I987 HydrophobicContact CB-CG1 4.07Å; A985-I987 PolarHBondContact O-N 3.31Å
986	D	96	Very high	96	Very high	118 Å²	118	28.5 Å²	28.5	63%	0.631	15%	0.151	S	C	*	.	S	Bend	trans	-75.7	56.7	179.5	-66.7	-42.1	0	0	0	112.7	K1001 Y1002	D986-K1001 WeakPolarHBondContact O-CA 3.32Å; D986-Y1002 PolarHBondContact O-N 3.41Å
987	I	97.9	Very high	96.2	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.3	-178.2	63.7	-175.3	0	0	0	111.8	P403 T405 S982 A985 L999 F1000 F1026 V1048	P403-I987 HydrophobicContact CB-CG2 4.02Å; T405-I987 HydrophobicContact CG2-CD1 4.11Å; S982-I987 VanDerWaalsContact CB-CG1 3.47Å; S982-I987 PolarHBondContact N-O 2.74Å; S982-I987 VanDerWaalsContact N-O 3.07Å; A985-I987 HydrophobicContact CB-CD1 4.1Å; A985-I987 HydrophobicContact CB-CG1 4.07Å; A985-I987 PolarHBondContact O-N 3.31Å; I987-L999 HydrophobicContact CB-CD1 4.2Å; I987-L999 HydrophobicContact CB-CG 4.45Å; I987-L999 HydrophobicContact CD1-CD1 4.22Å; I987-L999 HydrophobicContact CD1-CD2 4.5Å; I987-L999 HydrophobicContact CG1-CD1 4.4Å; I987-F1000 VanDerWaalsContact CA-O 3.3Å; I987-F1000 WeakPolarHBondContact CA-O 3.11Å; I987-F1026 HydrophobicContact CD1-CE1 3.95Å; I987-F1026 HydrophobicContact CD1-CZ 3.96Å; I987-F1026 HydrophobicContact CG1-CE1 4.35Å; I987-F1026 HydrophobicContact CG1-CZ 3.92Å; I987-V1048 HydrophobicContact CD1-CG1 3.95Å
988	L	98.5	Very high	96.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.4	176.1	-174.3	84.2	0	0	0	108.7	Q955 V963 I966 C979 D980 R981 T990 L999 F1000 Y1002 T1004	Q955-L988 HydrophobicContact CB-CD1 4.48Å; Q955-L988 HydrophobicContact CG-CD1 3.85Å; V963-L988 HydrophobicContact CB-CD2 4.33Å; V963-L988 HydrophobicContact CG1-CD1 4.1Å; V963-L988 HydrophobicContact CG1-CD2 3.72Å; I966-L988 HydrophobicContact CG2-CD2 3.52Å; C979-L988 HydrophobicContact CB-CD1 4.4Å; D980-L988 WeakPolarHBondContact O-CD1 3.49Å; R981-L988 HydrophobicContact CB-CD1 4.36Å; L988-T990 HydrophobicContact CD2-CG2 4.27Å; L988-L999 WeakPolarHBondContact O-CA 3.14Å; L988-F1000 HydrophobicContact CB-CB 4.45Å; L988-F1000 PolarHBondContact N-O 3.39Å; L988-F1000 PolarHBondContact O-N 2.54Å; L988-Y1002 HydrophobicContact CB-CD2 4.3Å; L988-Y1002 HydrophobicContact CD1-CD2 4.07Å; L988-Y1002 HydrophobicContact CD1-CE2 4.48Å; L988-T1004 WeakPolarHBondContact CD2-OG1 3.43Å
989	A	98.7	Very high	96.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	147.8	171	0	0	0	0	0	110.6	C979 D980 K998 L999 V1024 F1026 L1033	C979-A989 CarbonylContact C-O 3.55Å; C979-A989 WeakPolarHBondContact CA-O 3.33Å; C979-A989 WeakPolarHBondContact CB-O 3.44Å; D980-A989 PolarHBondContact N-O 3.07Å; D980-A989 PolarHBondContact O-N 2.68Å; A989-K998 CarbonylContact C-O 3.59Å; A989-K998 VanDerWaalsContact CA-O 3.3Å; A989-K998 WeakPolarHBondContact CA-O 3.39Å; A989-L999 HydrophobicContact CB-CD1 4.29Å; A989-V1024 HydrophobicContact CB-CG2 4.49Å; A989-F1026 HydrophobicContact CB-CD2 4.46Å; A989-F1026 HydrophobicContact CB-CE2 3.57Å; A989-F1026 HydrophobicContact CB-CZ 3.78Å; A989-L1033 HydrophobicContact CB-CD1 3.53Å; A989-L1033 HydrophobicContact CB-CD2 3.73Å; A989-L1033 HydrophobicContact CB-CG 4.31Å
990	T	98.6	Very high	96.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	145.3	172.8	71.6	0	0	0	0	111.9	I966 V976 A978 C979 L988 V997 K998 F1000	I966-T990 HydrophobicContact CB-CG2 4.06Å; I966-T990 HydrophobicContact CD1-CG2 4.15Å; I966-T990 HydrophobicContact CG2-CG2 3.82Å; V976-T990 HydrophobicContact CG1-CG2 4.49Å; A978-T990 CarbonylContact O-C 3.36Å; A978-T990 VanDerWaalsContact O-CA 3.26Å; A978-T990 WeakPolarHBondContact O-CA 3.13Å; C979-T990 HydrophobicContact CB-CG2 3.93Å; L988-T990 HydrophobicContact CD2-CG2 4.27Å; T990-V997 WeakPolarHBondContact O-CA 3.44Å; T990-K998 PolarHBondContact N-O 3.01Å; T990-K998 PolarHBondContact O-N 2.97Å; T990-F1000 HydrophobicContact CG2-CD2 4.15Å; T990-F1000 HydrophobicContact CG2-CE2 3.83Å
991	G	98.1	Very high	96.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135.1	167.3	0	0	0	0	0	111.6	N977 A978	N977-G991 PolarHBondContact N-O 2.96Å; A978-G991 PolarHBondContact O-N 3.17Å
992	D	94.9	Very high	96.2	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.011	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	164.6	-178.6	80.9	13.4	0	0	0	115.1	D975 Y994 G995 K996 K998 V1021	D975-D992 CarbonylContact O-C 3.52Å; D975-D992 WeakPolarHBondContact O-CA 3.41Å; D975-D992 WeakPolarHBondContact O-CB 3.27Å; D992-Y994 HydrophobicContact CB-CD2 4.49Å; D992-Y994 PolarHBondContact O-N 3.14Å; D992-Y994 VanDerWaalsContact O-N 3.15Å; D992-Y994 WeakPolarHBondContact OD1-CA 3.27Å; D992-Y994 WeakPolarHBondContact OD1-CB 3.38Å; D992-Y994 PolarHBondContact OD1-N 2.89Å; D992-G995 PolarHBondContact O-N 2.86Å; D992-G995 PolarHBondContact OD1-N 3.01Å; D992-K996 PolarHBondContact N-O 3.36Å; D992-K996 WeakPolarHBondContact OD1-CB 3.4Å; D992-K996 PolarHBondContact OD1-N 3.49Å; D992-K998 WeakPolarHBondContact OD2-CE 3.27Å; D992-K998 IonicContact OD2-NZ 3.94Å; D992-K998 PolarHBondContact OD2-NZ 3.39Å; D992-V1021 PolarHBondContact O-N 2.94Å
993	D	92.8	Very high	96.2	Very high	20 Å²	20	30.3 Å²	30.3	11%	0.107	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-9.6	179.3	-120.1	40.9	0	0	0	113.5	R38 D975 N977 H1020	R38-D993 IonicContact NH1-OD2 3.11Å; D975-D993 PolarHBondContact O-N 2.83Å; N977-D993 PolarHBondContact ND2-OD1 3.14Å; D993-H1020 VanDerWaalsContact CG-ND1 3.34Å; D993-H1020 PolarHBondContact O-ND1 3.38Å; D993-H1020 WeakPolarHBondContact OD1-CB 3.47Å; D993-H1020 IonicContact OD1-CD2 3.73Å; D993-H1020 IonicContact OD1-CE1 3.64Å; D993-H1020 IonicContact OD1-CG 3.59Å; D993-H1020 IonicContact OD1-ND1 3.55Å; D993-H1020 PolarHBondContact OD1-ND1 3.3Å; D993-H1020 IonicContact OD2-CE1 3.79Å; D993-H1020 PolarHBondContact OD2-CE1 2.8Å; D993-H1020 IonicContact OD2-CG 2.99Å; D993-H1020 IonicContact OD2-ND1 3.53Å; D993-H1020 IonicContact OD2-NE2 2.73Å
994	Y	91.2	Very high	96.3	Very high	90 Å²	90	27 Å²	27	35%	0.353	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	13.8	-176.8	-53.6	-77.4	0	0	0	113.1	H480 D975 D992 K996	H480-Y994 HydrophobicContact CB-CD1 4.26Å; D975-Y994 HydrophobicContact CB-CE2 4.17Å; D975-Y994 PolarHBondContact OD1-OH 2.84Å; D992-Y994 HydrophobicContact CB-CD2 4.49Å; D992-Y994 PolarHBondContact O-N 3.14Å; D992-Y994 VanDerWaalsContact O-N 3.15Å; D992-Y994 WeakPolarHBondContact OD1-CA 3.27Å; D992-Y994 WeakPolarHBondContact OD1-CB 3.38Å; D992-Y994 PolarHBondContact OD1-N 2.89Å; Y994-K996 VanDerWaalsContact C-N 3.31Å; Y994-K996 WeakPolarHBondContact O-CE 3.49Å; Y994-K996 PolarHBondContact O-N 2.82Å; Y994-K996 PolarHBondContact O-NZ 2.82Å
995	G	94.3	Very high	96.3	Very high	1 Å²	1	23 Å²	23	1%	0.01	11%	0.114	C	C	.	.	S	Bend	trans	72	21.1	179.4	0	0	0	0	0	113.8	D992 S1019	D992-G995 PolarHBondContact O-N 2.86Å; D992-G995 PolarHBondContact OD1-N 3.01Å; G995-S1019 WeakPolarHBondContact CA-O 3.36Å; G995-S1019 PolarHBondContact N-O 3.34Å
996	K	95.6	Very high	96.3	Very high	34 Å²	34	22.9 Å²	22.9	15%	0.148	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.5	179.7	-45.7	-55.2	164.3	-150.9	0	111.1	D992 Y994 K998 N1015	D992-K996 PolarHBondContact N-O 3.36Å; D992-K996 WeakPolarHBondContact OD1-CB 3.4Å; D992-K996 PolarHBondContact OD1-N 3.49Å; Y994-K996 VanDerWaalsContact C-N 3.31Å; Y994-K996 WeakPolarHBondContact O-CE 3.49Å; Y994-K996 PolarHBondContact O-N 2.82Å; Y994-K996 PolarHBondContact O-NZ 2.82Å; K996-K998 HydrophobicContact CB-CG 4.41Å; K996-N1015 WeakPolarHBondContact CE-OD1 3.49Å; K996-N1015 PolarHBondContact NZ-OD1 3.25Å
997	V	98.4	Very high	96	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	130.8	154.3	177.6	0	0	0	0	106.8	L407 T990 A1013 Y1014 V1021 L1033 W1046	L407-V997 HydrophobicContact CD1-CG1 3.9Å; T990-V997 WeakPolarHBondContact O-CA 3.44Å; V997-A1013 WeakPolarHBondContact O-CA 3.4Å; V997-Y1014 HydrophobicContact CG1-CD2 4.49Å; V997-Y1014 PolarHBondContact N-O 3.32Å; V997-Y1014 WeakPolarHBondContact O-CD2 3.34Å; V997-Y1014 PolarHBondContact O-N 2.79Å; V997-V1021 HydrophobicContact CG2-CG1 4.26Å; V997-L1033 HydrophobicContact CG1-CD2 3.61Å; V997-W1046 HydrophobicContact CB-CZ2 4.23Å; V997-W1046 HydrophobicContact CG2-CZ2 3.8Å
998	K	98.2	Very high	95.6	Very high	16 Å²	16	26.3 Å²	26.3	7%	0.07	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	146.4	174.2	-62.9	165.4	177.8	148.8	0	110.4	A989 T990 D992 K996 F1000 F1011 R1012 A1013	A989-K998 CarbonylContact C-O 3.59Å; A989-K998 VanDerWaalsContact CA-O 3.3Å; A989-K998 WeakPolarHBondContact CA-O 3.39Å; T990-K998 PolarHBondContact N-O 3.01Å; T990-K998 PolarHBondContact O-N 2.97Å; D992-K998 WeakPolarHBondContact OD2-CE 3.27Å; D992-K998 IonicContact OD2-NZ 3.94Å; D992-K998 PolarHBondContact OD2-NZ 3.39Å; K996-K998 HydrophobicContact CB-CG 4.41Å; K998-F1000 HydrophobicContact CB-CD2 4.34Å; K998-F1000 HydrophobicContact CB-CE2 3.7Å; K998-F1000 HydrophobicContact CB-CZ 4.37Å; K998-F1000 HydrophobicContact CD-CE2 4.29Å; K998-F1000 HydrophobicContact CD-CZ 4.27Å; K998-F1011 HydrophobicContact CB-CB 4.37Å; K998-F1011 HydrophobicContact CB-CD2 4.17Å; K998-F1011 HydrophobicContact CB-CG 4.36Å; K998-F1011 HydrophobicContact CD-CD2 3.97Å; K998-F1011 HydrophobicContact CD-CE1 4.5Å; K998-F1011 HydrophobicContact CD-CE2 3.95Å; K998-F1011 HydrophobicContact CD-CG 4.28Å; K998-F1011 HydrophobicContact CD-CZ 4.22Å; K998-F1011 HydrophobicContact CG-CD2 3.79Å; K998-F1011 HydrophobicContact CG-CE2 4.06Å; K998-F1011 HydrophobicContact CG-CG 4.34Å; K998-R1012 CarbonylContact C-O 3.46Å; K998-R1012 VanDerWaalsContact CA-O 3.26Å; K998-R1012 WeakPolarHBondContact CA-O 3.32Å; K998-A1013 HydrophobicContact CG-CB 4.22Å
999	L	98.4	Very high	95.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.8	175.1	-164.9	78.3	0	0	0	110.1	P403 L407 I987 L988 A989 F1011 R1012 Y1014 F1026	P403-L999 HydrophobicContact CB-CD2 4.35Å; P403-L999 VanDerWaalsContact CD-O 3.26Å; P403-L999 WeakPolarHBondContact CD-O 3.04Å; P403-L999 HydrophobicContact CG-CB 4.19Å; P403-L999 HydrophobicContact CG-CD2 3.81Å; P403-L999 HydrophobicContact CG-CG 3.86Å; P403-L999 WeakPolarHBondContact CG-O 3.39Å; L407-L999 HydrophobicContact CD2-CD1 4.38Å; L407-L999 HydrophobicContact CD2-CD2 4.38Å; L407-L999 HydrophobicContact CG-CD1 4.48Å; L407-L999 HydrophobicContact CG-CD2 4.26Å; I987-L999 HydrophobicContact CB-CD1 4.2Å; I987-L999 HydrophobicContact CB-CG 4.45Å; I987-L999 HydrophobicContact CD1-CD1 4.22Å; I987-L999 HydrophobicContact CD1-CD2 4.5Å; I987-L999 HydrophobicContact CG1-CD1 4.4Å; L988-L999 WeakPolarHBondContact O-CA 3.14Å; A989-L999 HydrophobicContact CB-CD1 4.29Å; L999-F1011 WeakPolarHBondContact O-CA 3.3Å; L999-F1011 WeakPolarHBondContact O-CB 3.31Å; L999-R1012 PolarHBondContact N-O 2.92Å; L999-R1012 PolarHBondContact O-N 2.88Å; L999-Y1014 HydrophobicContact CB-CE2 3.97Å; L999-F1026 HydrophobicContact CD1-CZ 3.86Å
1000	F	98.4	Very high	95.4	Very high	1 Å²	1	31 Å²	31	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	165	180	-61.6	-100.8	0	0	0	110.7	I966 I987 L988 T990 K998 T1004 A1009 F1011	I966-F1000 HydrophobicContact CB-CE2 4.24Å; I966-F1000 HydrophobicContact CB-CZ 4.11Å; I966-F1000 HydrophobicContact CG2-CD2 4.27Å; I966-F1000 HydrophobicContact CG2-CE2 4.09Å; I966-F1000 HydrophobicContact CG2-CZ 4.26Å; I987-F1000 VanDerWaalsContact CA-O 3.3Å; I987-F1000 WeakPolarHBondContact CA-O 3.11Å; L988-F1000 HydrophobicContact CB-CB 4.45Å; L988-F1000 PolarHBondContact N-O 3.39Å; L988-F1000 PolarHBondContact O-N 2.54Å; T990-F1000 HydrophobicContact CG2-CD2 4.15Å; T990-F1000 HydrophobicContact CG2-CE2 3.83Å; K998-F1000 HydrophobicContact CB-CD2 4.34Å; K998-F1000 HydrophobicContact CB-CE2 3.7Å; K998-F1000 HydrophobicContact CB-CZ 4.37Å; K998-F1000 HydrophobicContact CD-CE2 4.29Å; K998-F1000 HydrophobicContact CD-CZ 4.27Å; F1000-T1004 HydrophobicContact CB-CG2 3.85Å; F1000-T1004 WeakPolarHBondContact CB-OG1 3.48Å; F1000-T1004 HydrophobicContact CD1-CG2 3.42Å; F1000-T1004 VanDerWaalsContact CD1-CG2 3.42Å; F1000-T1004 HydrophobicContact CE1-CG2 4.04Å; F1000-T1004 HydrophobicContact CG-CG2 3.78Å; F1000-A1009 HydrophobicContact CD1-CB 4.09Å; F1000-A1009 HydrophobicContact CE1-CB 4.23Å; F1000-F1011 HydrophobicContact CD1-CB 3.75Å; F1000-F1011 HydrophobicContact CD1-CD1 4.38Å; F1000-F1011 HydrophobicContact CD2-CB 4.25Å; F1000-F1011 HydrophobicContact CE1-CB 3.69Å; F1000-F1011 AromaticContact CE1-CD1 3.54Å; F1000-F1011 HydrophobicContact CE1-CD1 3.54Å; F1000-F1011 AromaticContact CE1-CG 3.99Å; F1000-F1011 HydrophobicContact CE1-CG 3.99Å; F1000-F1011 HydrophobicContact CE2-CB 4.16Å; F1000-F1011 HydrophobicContact CG-CB 4.06Å; F1000-F1011 HydrophobicContact CZ-CB 3.89Å; F1000-F1011 AromaticContact CZ-CD1 3.71Å; F1000-F1011 HydrophobicContact CZ-CD1 3.71Å; F1000-F1011 AromaticContact CZ-CG 4Å; F1000-F1011 HydrophobicContact CZ-CG 4Å
1001	K	97.6	Very high	95.3	Very high	64 Å²	64	35.4 Å²	35.4	28%	0.278	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	139.8	160.8	-68.2	-168.7	175.4	-170.9	0	109.9	L400 K401 A402 P403 D404 D986 P1003 T1004	L400-K1001 HydrophobicContact CD1-CB 4.1Å; L400-K1001 HydrophobicContact CD2-CB 4.5Å; L400-K1001 HydrophobicContact CG-CB 4.42Å; K401-K1001 WeakPolarHBondContact O-CD 3.28Å; A402-K1001 VanDerWaalsContact O-CE 3.25Å; A402-K1001 WeakPolarHBondContact O-CE 3.36Å; P403-K1001 HydrophobicContact CB-CG 3.99Å; D404-K1001 WeakPolarHBondContact OD2-CE 3.26Å; D404-K1001 IonicContact OD2-NZ 3.28Å; D404-K1001 PolarHBondContact OD2-NZ 2.98Å; D986-K1001 WeakPolarHBondContact O-CA 3.32Å; K1001-P1003 CarbonylContact O-C 3.58Å; K1001-T1004 PolarHBondContact O-N 2.93Å; K1001-T1004 PolarHBondContact O-OG1 2.89Å
1002	Y	96.8	Very high	95.3	Very high	46 Å²	46	39.7 Å²	39.7	18%	0.18	18%	0.181	C	C	.	.	S	Bend	trans	-97.7	140.4	173.3	-176.2	-92.9	0	0	0	110.5	Q955 E962 R981 D986 L988	Q955-Y1002 HydrophobicContact CG-CE2 4.22Å; E962-Y1002 HydrophobicContact CB-CE2 3.82Å; R981-Y1002 VanDerWaalsContact CD-CZ 3.41Å; R981-Y1002 HydrophobicContact CG-CD1 4.29Å; R981-Y1002 HydrophobicContact CG-CD2 4.04Å; R981-Y1002 HydrophobicContact CG-CE1 4.49Å; R981-Y1002 HydrophobicContact CG-CE2 4.25Å; R981-Y1002 HydrophobicContact CG-CG 4.05Å; D986-Y1002 PolarHBondContact O-N 3.41Å; L988-Y1002 HydrophobicContact CB-CD2 4.3Å; L988-Y1002 HydrophobicContact CD1-CD2 4.07Å; L988-Y1002 HydrophobicContact CD1-CE2 4.48Å
1003	P	96	Very high	95.3	Very high	47 Å²	47	42.2 Å²	42.2	31%	0.305	20%	0.202	S	C	.	.	S	Bend	cis	-71.2	137.3	-10.4	29.8	-34.8	0	0	0	112.2	E962 K1001 N1005	E962-P1003 HydrophobicContact CB-CB 4.29Å; E962-P1003 CarbonylContact O-C 3.58Å; K1001-P1003 CarbonylContact O-C 3.58Å; P1003-N1005 VanDerWaalsContact C-N 3.25Å; P1003-N1005 PolarHBondContact O-N 2.72Å
1004	T	96	Very high	95.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.203	C	C	.	.			trans	-84.3	65.3	177.8	-43.7	0	0	0	0	110.3	L400 E962 V963 A964 G965 I966 L988 F1000 K1001 A1009	L400-T1004 HydrophobicContact CD2-CG2 4.15Å; E962-T1004 PolarHBondContact O-N 2.53Å; V963-T1004 CarbonylContact C-O 3.53Å; V963-T1004 VanDerWaalsContact C-O 3.24Å; V963-T1004 WeakPolarHBondContact CA-O 3.25Å; A964-T1004 PolarHBondContact N-O 3.08Å; G965-T1004 WeakPolarHBondContact CA-O 3.37Å; G965-T1004 PolarHBondContact N-O 2.98Å; I966-T1004 HydrophobicContact CG2-CG2 3.92Å; L988-T1004 WeakPolarHBondContact CD2-OG1 3.43Å; F1000-T1004 HydrophobicContact CB-CG2 3.85Å; F1000-T1004 WeakPolarHBondContact CB-OG1 3.48Å; F1000-T1004 HydrophobicContact CD1-CG2 3.42Å; F1000-T1004 VanDerWaalsContact CD1-CG2 3.42Å; F1000-T1004 HydrophobicContact CE1-CG2 4.04Å; F1000-T1004 HydrophobicContact CG-CG2 3.78Å; K1001-T1004 PolarHBondContact O-N 2.93Å; K1001-T1004 PolarHBondContact O-OG1 2.89Å; T1004-A1009 HydrophobicContact CG2-CB 3.81Å
1005	N	93.3	Very high	95.7	Very high	14 Å²	14	41.5 Å²	41.5	8%	0.075	20%	0.202	C	C	.	.			trans	-102	9.7	-168.6	67.1	22.1	0	0	0	115.8	Y394 W961 P1003	Y394-N1005 PolarHBondContact OH-O 3.48Å; W961-N1005 HydrophobicContact CD2-CB 4.39Å; W961-N1005 HydrophobicContact CE3-CB 4.47Å; W961-N1005 HydrophobicContact CH2-CB 4.08Å; W961-N1005 HydrophobicContact CZ2-CB 3.95Å; W961-N1005 WeakPolarHBondContact CZ2-ND2 3.18Å; W961-N1005 HydrophobicContact CZ3-CB 4.32Å; W961-N1005 VanDerWaalsContact O-CB 3.29Å; W961-N1005 WeakPolarHBondContact O-CB 3.47Å; P1003-N1005 VanDerWaalsContact C-N 3.25Å; P1003-N1005 PolarHBondContact O-N 2.72Å
1006	K	92.8	Very high	95.8	Very high	23 Å²	23	41.5 Å²	41.5	10%	0.1	20%	0.202	C	C	.	.	S	Bend	trans	-109.5	142	178.8	-56.7	-62.4	-178.3	175.6	0	111.8	Y394 D395 L400 G965	Y394-K1006 VanDerWaalsContact CD2-NZ 3.27Å; Y394-K1006 HydrophobicContact CE2-CD 3.82Å; D395-K1006 PolarHBondContact O-NZ 2.87Å; L400-K1006 HydrophobicContact CB-CB 3.84Å; L400-K1006 HydrophobicContact CB-CG 3.73Å; G965-K1006 WeakPolarHBondContact CA-O 3.21Å
1007	P	89.7	Confident	95.9	Very high	42 Å²	42	40 Å²	40	27%	0.273	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	149.8	170.9	29.9	-35.7	0	0	0	110.7	T364 L396 A1009	T364-P1007 HydrophobicContact CG2-CB 4.35Å; T364-P1007 HydrophobicContact CG2-CG 4.29Å; L396-P1007 VanDerWaalsContact CD1-CD 3.5Å; L396-P1007 HydrophobicContact CD1-CG 3.92Å; P1007-A1009 PolarHBondContact O-N 2.93Å
1008	K	90.2	Very high	95.8	Very high	151 Å²	151	40.8 Å²	40.8	66%	0.657	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	36.2	-179.5	-54.3	170.1	-174.3	163.1	0	112.3	E363 E1010	E363-K1008 IonicContact OE1-NZ 3.38Å; K1008-E1010 PolarHBondContact O-N 3.5Å
1009	A	94.8	Very high	95.6	Very high	5 Å²	5	41.2 Å²	41.2	4%	0.041	21%	0.206	C	C	.	.			trans	-59.2	134.6	178.6	0	0	0	0	0	111.3	L400 F1000 T1004 P1007 F1011	L400-A1009 HydrophobicContact CB-CB 4.12Å; L400-A1009 HydrophobicContact CD2-CB 4.23Å; F1000-A1009 HydrophobicContact CD1-CB 4.09Å; F1000-A1009 HydrophobicContact CE1-CB 4.23Å; T1004-A1009 HydrophobicContact CG2-CB 3.81Å; P1007-A1009 PolarHBondContact O-N 2.93Å; A1009-F1011 WeakPolarHBondContact O-CD1 3.24Å
1010	E	96.8	Very high	95.4	Very high	94 Å²	94	42.8 Å²	42.8	44%	0.439	21%	0.213	S	C	.	.			trans	-73	143.3	176.2	-65.5	173.9	-170.9	0	0	110.7	L400 K401 A402 K1008	L400-E1010 WeakPolarHBondContact O-CB 3.33Å; L400-E1010 PolarHBondContact O-N 3.45Å; K401-E1010 VanDerWaalsContact CA-OE2 3.27Å; K401-E1010 WeakPolarHBondContact CA-OE2 3.45Å; A402-E1010 WeakPolarHBondContact CA-O 3.46Å; A402-E1010 HydrophobicContact CB-CB 3.98Å; A402-E1010 VanDerWaalsContact N-CB 3.31Å; A402-E1010 PolarHBondContact N-OE2 2.95Å; K1008-E1010 PolarHBondContact O-N 3.5Å
1011	F	97.3	Very high	95.4	Very high	92 Å²	92	42.7 Å²	42.7	40%	0.404	21%	0.213	S	C	.	.			trans	-140.1	160.6	-179.7	52.2	-94.7	0	0	0	111.6	K998 L999 F1000 A1009 A1013	K998-F1011 HydrophobicContact CB-CB 4.37Å; K998-F1011 HydrophobicContact CB-CD2 4.17Å; K998-F1011 HydrophobicContact CB-CG 4.36Å; K998-F1011 HydrophobicContact CD-CD2 3.97Å; K998-F1011 HydrophobicContact CD-CE1 4.5Å; K998-F1011 HydrophobicContact CD-CE2 3.95Å; K998-F1011 HydrophobicContact CD-CG 4.28Å; K998-F1011 HydrophobicContact CD-CZ 4.22Å; K998-F1011 HydrophobicContact CG-CD2 3.79Å; K998-F1011 HydrophobicContact CG-CE2 4.06Å; K998-F1011 HydrophobicContact CG-CG 4.34Å; L999-F1011 WeakPolarHBondContact O-CA 3.3Å; L999-F1011 WeakPolarHBondContact O-CB 3.31Å; F1000-F1011 HydrophobicContact CD1-CB 3.75Å; F1000-F1011 HydrophobicContact CD1-CD1 4.38Å; F1000-F1011 HydrophobicContact CD2-CB 4.25Å; F1000-F1011 HydrophobicContact CE1-CB 3.69Å; F1000-F1011 AromaticContact CE1-CD1 3.54Å; F1000-F1011 HydrophobicContact CE1-CD1 3.54Å; F1000-F1011 AromaticContact CE1-CG 3.99Å; F1000-F1011 HydrophobicContact CE1-CG 3.99Å; F1000-F1011 HydrophobicContact CE2-CB 4.16Å; F1000-F1011 HydrophobicContact CG-CB 4.06Å; F1000-F1011 HydrophobicContact CZ-CB 3.89Å; F1000-F1011 AromaticContact CZ-CD1 3.71Å; F1000-F1011 HydrophobicContact CZ-CD1 3.71Å; F1000-F1011 AromaticContact CZ-CG 4Å; F1000-F1011 HydrophobicContact CZ-CG 4Å; A1009-F1011 WeakPolarHBondContact O-CD1 3.24Å; F1011-A1013 HydrophobicContact CD2-CB 3.99Å; F1011-A1013 HydrophobicContact CE2-CB 3.95Å
1012	R	97.6	Very high	95.4	Very high	91 Å²	91	40 Å²	40	34%	0.343	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	134.5	159.9	-59.7	-177.2	-178.3	-91.2	10.9	108.4	A402 P403 D404 T405 K998 L999 Y1014	A402-R1012 HydrophobicContact CB-CG 4.47Å; P403-R1012 HydrophobicContact CG-CG 4.48Å; P403-R1012 PolarHBondContact O-NE 2.88Å; P403-R1012 PolarHBondContact O-NH2 3.36Å; D404-R1012 PolarHBondContact O-NH2 3.39Å; T405-R1012 WeakPolarHBondContact O-CD 3.43Å; T405-R1012 PolarHBondContact O-NE 2.9Å; K998-R1012 CarbonylContact C-O 3.46Å; K998-R1012 VanDerWaalsContact CA-O 3.26Å; K998-R1012 WeakPolarHBondContact CA-O 3.32Å; L999-R1012 PolarHBondContact N-O 2.92Å; L999-R1012 PolarHBondContact O-N 2.88Å; R1012-Y1014 HydrophobicContact CB-CE2 3.85Å; R1012-Y1014 VanDerWaalsContact CB-OH 3.27Å; R1012-Y1014 WeakPolarHBondContact CB-OH 3.18Å; R1012-Y1014 WeakPolarHBondContact CD-OH 3.37Å
1013	A	95.9	Very high	95.5	Very high	55 Å²	55	39.8 Å²	39.8	46%	0.455	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	144.4	176.9	0	0	0	0	0	111	V997 K998 F1011	V997-A1013 WeakPolarHBondContact O-CA 3.4Å; K998-A1013 HydrophobicContact CG-CB 4.22Å; F1011-A1013 HydrophobicContact CD2-CB 3.99Å; F1011-A1013 HydrophobicContact CE2-CB 3.95Å
1014	Y	97.8	Very high	95.6	Very high	33 Å²	33	37.6 Å²	37.6	13%	0.129	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.3	-175.1	-51.6	-86.3	0	0	0	110.4	T406 L407 V997 L999 R1012 W1046	T406-Y1014 WeakPolarHBondContact CA-OH 3.23Å; L407-Y1014 HydrophobicContact CB-CD1 4.17Å; L407-Y1014 HydrophobicContact CB-CD2 4.21Å; L407-Y1014 HydrophobicContact CB-CE1 3.79Å; L407-Y1014 HydrophobicContact CB-CE2 3.83Å; L407-Y1014 HydrophobicContact CB-CG 4.37Å; L407-Y1014 HydrophobicContact CD1-CD2 3.86Å; L407-Y1014 HydrophobicContact CD1-CE2 3.73Å; L407-Y1014 HydrophobicContact CG-CD2 4.31Å; L407-Y1014 HydrophobicContact CG-CE2 3.77Å; L407-Y1014 PolarHBondContact N-OH 3.47Å; L407-Y1014 WeakPolarHBondContact O-CE1 3.3Å; V997-Y1014 HydrophobicContact CG1-CD2 4.49Å; V997-Y1014 PolarHBondContact N-O 3.32Å; V997-Y1014 WeakPolarHBondContact O-CD2 3.34Å; V997-Y1014 PolarHBondContact O-N 2.79Å; L999-Y1014 HydrophobicContact CB-CE2 3.97Å; R1012-Y1014 HydrophobicContact CB-CE2 3.85Å; R1012-Y1014 VanDerWaalsContact CB-OH 3.27Å; R1012-Y1014 WeakPolarHBondContact CB-OH 3.18Å; R1012-Y1014 WeakPolarHBondContact CD-OH 3.37Å; Y1014-W1046 HydrophobicContact CG-CZ3 4.29Å
1015	N	94.5	Very high	95.7	Very high	62 Å²	62	38.2 Å²	38.2	33%	0.332	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	149.2	176.9	-72.4	-28.9	0	0	0	110.8	K996	K996-N1015 WeakPolarHBondContact CE-OD1 3.49Å; K996-N1015 PolarHBondContact NZ-OD1 3.25Å
1016	G	96.3	Very high	96	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.01	19%	0.19	C	C	.	.			trans	167.6	-41.4	163	0	0	0	0	0	112.2	A437 A438 V439	A437-G1016 VanDerWaalsContact CB-O 3.22Å; A437-G1016 WeakPolarHBondContact CB-O 3.24Å; A438-G1016 WeakPolarHBondContact CB-O 3.37Å; A438-G1016 PolarHBondContact N-O 2.61Å; V439-G1016 VanDerWaalsContact CG2-CA 3.45Å; V439-G1016 WeakPolarHBondContact CG2-O 3.48Å
1017	H	98	Very high	96.2	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.014	19%	0.185	C	C	.	.			trans	-67.9	141.9	167.7	-68.7	-59.7	0	0	0	111	V1021 S1035 G1037 D1040 A1042	H1017-V1021 HydrophobicContact CB-CG2 3.91Å; H1017-S1035 PolarHBondContact NE2-OG 3.33Å; H1017-G1037 PolarHBondContact CE1-N 3.2Å; H1017-G1037 WeakPolarHBondContact ND1-CA 3.44Å; H1017-G1037 PolarHBondContact ND1-N 2.99Å; H1017-D1040 WeakPolarHBondContact CA-OD2 3.45Å; H1017-D1040 VanDerWaalsContact CB-OD2 3.25Å; H1017-D1040 WeakPolarHBondContact CB-OD2 3.44Å; H1017-D1040 IonicContact CG-OD2 2.76Å; H1017-D1040 IonicContact ND1-OD1 3.05Å; H1017-D1040 IonicContact ND1-OD2 2.7Å; H1017-D1040 PolarHBondContact ND1-OD2 3Å; H1017-A1042 PolarHBondContact CE1-O 2.94Å
1018	S	95.6	Very high	96.5	Very high	17 Å²	17	38.7 Å²	38.7	12%	0.119	19%	0.189	C	C	.	.	S	Bend	trans	-106.8	-16	174.7	56.6	0	0	0	0	112.8	A437 D459 D1040	A437-S1018 WeakPolarHBondContact CA-OG 3.28Å; D459-S1018 VanDerWaalsContact OD1-CB 3.27Å; D459-S1018 WeakPolarHBondContact OD1-CB 3.34Å; D459-S1018 PolarHBondContact OD1-OG 3.48Å; S1018-D1040 PolarHBondContact N-OD2 3.28Å; S1018-D1040 VanDerWaalsContact OG-CB 3.3Å; S1018-D1040 WeakPolarHBondContact OG-CB 3.38Å
1019	S	93.6	Very high	96.7	Very high	24 Å²	24	33.8 Å²	33.8	17%	0.168	17%	0.17	C	C	.	.	S	Bend	trans	-114.8	-170.2	172.1	-152.6	0	0	0	0	110.8	G995 V1021	G995-S1019 WeakPolarHBondContact CA-O 3.36Å; G995-S1019 PolarHBondContact N-O 3.34Å; S1019-V1021 PolarHBondContact O-N 2.82Å
1020	H	94.6	Very high	96.8	Very high	33 Å²	33	33.7 Å²	33.7	15%	0.153	17%	0.169	C	C	.	.			trans	-60	129.2	-179.9	-45.3	-33.9	0	0	0	110.3	D993 T1022 G1037	D993-H1020 VanDerWaalsContact CG-ND1 3.34Å; D993-H1020 PolarHBondContact O-ND1 3.38Å; D993-H1020 WeakPolarHBondContact OD1-CB 3.47Å; D993-H1020 IonicContact OD1-CD2 3.73Å; D993-H1020 IonicContact OD1-CE1 3.64Å; D993-H1020 IonicContact OD1-CG 3.59Å; D993-H1020 IonicContact OD1-ND1 3.55Å; D993-H1020 PolarHBondContact OD1-ND1 3.3Å; D993-H1020 IonicContact OD2-CE1 3.79Å; D993-H1020 PolarHBondContact OD2-CE1 2.8Å; D993-H1020 IonicContact OD2-CG 2.99Å; D993-H1020 IonicContact OD2-ND1 3.53Å; D993-H1020 IonicContact OD2-NE2 2.73Å; H1020-T1022 PolarHBondContact O-N 3.14Å; H1020-G1037 CarbonylContact O-C 3.6Å; H1020-G1037 VanDerWaalsContact O-C 3.24Å; H1020-G1037 WeakPolarHBondContact O-CA 3.06Å
1021	V	98.1	Very high	96.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.158	C	C	.	.			trans	-74.5	97.8	172.4	-171.6	0	0	0	0	107.3	N977 D992 V997 H1017 S1019 N1023 V1024 T1036	N977-V1021 WeakPolarHBondContact CB-O 3.15Å; D992-V1021 PolarHBondContact O-N 2.94Å; V997-V1021 HydrophobicContact CG2-CG1 4.26Å; H1017-V1021 HydrophobicContact CB-CG2 3.91Å; S1019-V1021 PolarHBondContact O-N 2.82Å; V1021-N1023 VanDerWaalsContact C-N 3.34Å; V1021-N1023 PolarHBondContact O-N 3.1Å; V1021-V1024 HydrophobicContact CG1-CG1 3.91Å; V1021-T1036 CarbonylContact C-O 3.58Å; V1021-T1036 WeakPolarHBondContact CA-O 3.39Å
1022	T	98.1	Very high	96.8	Very high	7 Å²	7	27.9 Å²	27.9	4%	0.043	15%	0.145	C	C	.	.			trans	-70.3	-29.4	-170.6	52.7	0	0	0	0	113.1	F735 W736 H1020 T1036	F735-T1022 PolarHBondContact O-OG1 3.03Å; W736-T1022 HydrophobicContact CD2-CG2 3.54Å; W736-T1022 VanDerWaalsContact CE2-CG2 3.43Å; W736-T1022 HydrophobicContact CE3-CG2 3.84Å; W736-T1022 HydrophobicContact CG-CG2 4.07Å; W736-T1022 HydrophobicContact CH2-CG2 3.93Å; W736-T1022 HydrophobicContact CZ2-CG2 3.65Å; W736-T1022 HydrophobicContact CZ3-CG2 4.02Å; H1020-T1022 PolarHBondContact O-N 3.14Å; T1022-T1036 PolarHBondContact N-O 3.15Å; T1022-T1036 PolarHBondContact OG1-O 2.78Å; T1022-T1036 PolarHBondContact OG1-OG1 2.81Å
1023	N	98.5	Very high	96.9	Very high	41 Å²	41	23.6 Å²	23.6	22%	0.219	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	154.8	-178.6	-146.1	-32.1	0	0	0	112	W736 L738 V1021 S1035 T1036	W736-N1023 PolarHBondContact O-ND2 3.49Å; L738-N1023 HydrophobicContact CB-CB 3.93Å; L738-N1023 HydrophobicContact CD2-CB 3.98Å; V1021-N1023 VanDerWaalsContact C-N 3.34Å; V1021-N1023 PolarHBondContact O-N 3.1Å; N1023-S1035 WeakPolarHBondContact O-CA 3.45Å; N1023-T1036 VanDerWaalsContact CB-OG1 3.27Å; N1023-T1036 WeakPolarHBondContact CB-OG1 3.18Å; N1023-T1036 PolarHBondContact N-OG1 2.9Å; N1023-T1036 PolarHBondContact O-N 3.5Å
1024	V	98.6	Very high	97	Very high	2 Å²	2	21 Å²	21	1%	0.012	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	139.1	173.5	-64.8	0	0	0	0	110	A978 A989 V1021 I1034	A978-V1024 HydrophobicContact CB-CG2 4.17Å; A989-V1024 HydrophobicContact CB-CG2 4.49Å; V1021-V1024 HydrophobicContact CG1-CG1 3.91Å; V1024-I1034 CarbonylContact C-O 3.59Å; V1024-I1034 WeakPolarHBondContact CA-O 3.23Å
1025	T	98.5	Very high	97.1	Very high	13 Å²	13	19.4 Å²	19.4	8%	0.08	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	139.8	170.7	-160.7	0	0	0	0	113.7	L738 K740 D980 I1034	L738-T1025 HydrophobicContact CD1-CG2 4.42Å; L738-T1025 HydrophobicContact CD2-CG2 3.79Å; L738-T1025 HydrophobicContact CG-CG2 3.9Å; K740-T1025 HydrophobicContact CB-CG2 4.13Å; K740-T1025 HydrophobicContact CD-CG2 4.46Å; K740-T1025 WeakPolarHBondContact CD-OG1 3.42Å; K740-T1025 WeakPolarHBondContact CE-OG1 3.15Å; K740-T1025 PolarHBondContact NZ-OG1 3.26Å; D980-T1025 WeakPolarHBondContact OD2-CA 3.44Å; D980-T1025 WeakPolarHBondContact OD2-CB 3.48Å; D980-T1025 PolarHBondContact OD2-OG1 2.94Å; T1025-I1034 PolarHBondContact N-O 3.07Å; T1025-I1034 PolarHBondContact O-N 2.8Å
1026	F	98.5	Very high	97.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	130.8	170.7	-72.5	-83.7	0	0	0	109.9	K740 D980 R981 I987 A989 L999 R1032 L1033 V1048	K740-F1026 WeakPolarHBondContact CD-O 3.29Å; K740-F1026 WeakPolarHBondContact CE-O 3.3Å; K740-F1026 PolarHBondContact NZ-O 3.1Å; D980-F1026 HydrophobicContact CB-CD2 4.33Å; D980-F1026 WeakPolarHBondContact O-CE2 3.29Å; D980-F1026 PolarHBondContact OD2-N 3.13Å; R981-F1026 VanDerWaalsContact C-CD2 3.48Å; I987-F1026 HydrophobicContact CD1-CE1 3.95Å; I987-F1026 HydrophobicContact CD1-CZ 3.96Å; I987-F1026 HydrophobicContact CG1-CE1 4.35Å; I987-F1026 HydrophobicContact CG1-CZ 3.92Å; A989-F1026 HydrophobicContact CB-CD2 4.46Å; A989-F1026 HydrophobicContact CB-CE2 3.57Å; A989-F1026 HydrophobicContact CB-CZ 3.78Å; L999-F1026 HydrophobicContact CD1-CZ 3.86Å; F1026-R1032 CarbonylContact C-O 3.47Å; F1026-R1032 WeakPolarHBondContact CA-O 3.44Å; F1026-L1033 HydrophobicContact CD1-CB 4.21Å; F1026-L1033 HydrophobicContact CD1-CD1 3.84Å; F1026-L1033 HydrophobicContact CD2-CD1 3.75Å; F1026-L1033 HydrophobicContact CE1-CB 4.26Å; F1026-L1033 HydrophobicContact CE1-CD1 3.93Å; F1026-L1033 HydrophobicContact CE2-CD1 3.85Å; F1026-L1033 HydrophobicContact CG-CD1 3.75Å; F1026-L1033 HydrophobicContact CZ-CD1 3.94Å; F1026-V1048 HydrophobicContact CD1-CG2 4.16Å; F1026-V1048 HydrophobicContact CE1-CG2 3.92Å
1027	L	98	Very high	97.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.085	C	C	.	.			trans	-57.9	164.2	173.7	-60	-172.3	0	0	0	111.9	H745 F747 S761 D1029 G1030 R1032 I1034	H745-L1027 HydrophobicContact CB-CD1 4.45Å; F747-L1027 HydrophobicContact CB-CD2 4.29Å; F747-L1027 HydrophobicContact CD1-CD2 4.26Å; S761-L1027 WeakPolarHBondContact OG-CD1 3.41Å; L1027-D1029 PolarHBondContact O-N 3.37Å; L1027-G1030 PolarHBondContact O-N 3.17Å; L1027-R1032 HydrophobicContact CD1-CB 3.87Å; L1027-R1032 HydrophobicContact CG-CB 4.12Å; L1027-R1032 PolarHBondContact N-O 3.19Å; L1027-I1034 HydrophobicContact CD2-CD1 4.44Å; L1027-I1034 HydrophobicContact CD2-CG1 3.8Å; L1027-I1034 HydrophobicContact CG-CG1 4.32Å
1028	Y	94.3	Very high	97.3	Very high	88 Å²	88	16.2 Å²	16.2	35%	0.345	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-27.7	-170	80.1	-69.8	0	0	0	115.7	A744 H745 P983	A744-Y1028 VanDerWaalsContact CA-CE1 3.46Å; A744-Y1028 WeakPolarHBondContact O-CD1 3.45Å; H745-Y1028 AromaticContact CD2-CE1 3.83Å; H745-Y1028 AromaticContact CE1-CE1 3.64Å; H745-Y1028 AromaticContact CE1-CZ 3.81Å; H745-Y1028 PolarHBondContact CE1-OH 3.28Å; H745-Y1028 AromaticContact CG-CE1 3.86Å; H745-Y1028 AromaticContact ND1-CE1 3.75Å; H745-Y1028 AromaticContact NE2-CE1 3.68Å; P983-Y1028 WeakPolarHBondContact CG-O 3.42Å
1029	D	95.3	Very high	97.3	Very high	48 Å²	48	19.9 Å²	19.9	26%	0.257	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-6	178	70.4	-14.7	0	0	0	114	H745 T984 L1027 S1031	H745-D1029 IonicContact CD2-OD1 2.95Å; H745-D1029 IonicContact CD2-OD2 3.33Å; H745-D1029 IonicContact CE1-OD2 2.77Å; H745-D1029 IonicContact NE2-OD1 2.86Å; H745-D1029 IonicContact NE2-OD2 3.9Å; H745-D1029 PolarHBondContact NE2-OD2 3.17Å; T984-D1029 VanDerWaalsContact CG2-O 3.22Å; T984-D1029 WeakPolarHBondContact CG2-O 3.44Å; T984-D1029 PolarHBondContact OG1-O 2.84Å; L1027-D1029 PolarHBondContact O-N 3.37Å; D1029-S1031 VanDerWaalsContact CG-OG 3.23Å; D1029-S1031 PolarHBondContact O-N 3.17Å; D1029-S1031 VanDerWaalsContact OD1-CB 3.29Å; D1029-S1031 WeakPolarHBondContact OD1-CB 3.36Å; D1029-S1031 PolarHBondContact OD1-N 2.74Å; D1029-S1031 PolarHBondContact OD1-OG 2.75Å; D1029-S1031 VanDerWaalsContact OD2-CB 3.26Å; D1029-S1031 WeakPolarHBondContact OD2-CB 3.21Å; D1029-S1031 PolarHBondContact OD2-OG 3.42Å
1030	G	96.4	Very high	97.4	Very high	3 Å²	3	18.9 Å²	18.9	3%	0.031	9%	0.091	C	C	.	.	S	Bend	trans	71.8	6	-174.8	0	0	0	0	0	115	L1027 R1032 V1048	L1027-G1030 PolarHBondContact O-N 3.17Å; G1030-R1032 PolarHBondContact O-N 2.72Å; G1030-V1048 WeakPolarHBondContact O-CG2 3.35Å
1031	S	97.2	Very high	97.6	Very high	29 Å²	29	18 Å²	18	20%	0.203	9%	0.087	C	C	.	.	S	Bend	trans	-67.4	-25.6	-178.8	66.6	0	0	0	0	113.4	D1029 V1048	D1029-S1031 VanDerWaalsContact CG-OG 3.23Å; D1029-S1031 PolarHBondContact O-N 3.17Å; D1029-S1031 VanDerWaalsContact OD1-CB 3.29Å; D1029-S1031 WeakPolarHBondContact OD1-CB 3.36Å; D1029-S1031 PolarHBondContact OD1-N 2.74Å; D1029-S1031 PolarHBondContact OD1-OG 2.75Å; D1029-S1031 VanDerWaalsContact OD2-CB 3.26Å; D1029-S1031 WeakPolarHBondContact OD2-CB 3.21Å; D1029-S1031 PolarHBondContact OD2-OG 3.42Å; S1031-V1048 WeakPolarHBondContact O-CB 3.45Å; S1031-V1048 PolarHBondContact O-N 3.39Å
1032	R	98.2	Very high	97.6	Very high	36 Å²	36	18 Å²	18	14%	0.136	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	146.9	-175.6	-78.5	157.4	178.6	71.9	9.5	111.9	E410 S761 F1026 L1027 G1030 W1046	E410-R1032 IonicContact OE1-CZ 2.84Å; E410-R1032 IonicContact OE1-NE 2.76Å; E410-R1032 PolarHBondContact OE1-NE 2.77Å; E410-R1032 IonicContact OE1-NH2 3.22Å; E410-R1032 PolarHBondContact OE1-NH2 3.32Å; E410-R1032 IonicContact OE2-CZ 2.97Å; E410-R1032 IonicContact OE2-NE 3.73Å; E410-R1032 PolarHBondContact OE2-NE 2.88Å; E410-R1032 IonicContact OE2-NH2 3.66Å; E410-R1032 PolarHBondContact OE2-NH2 3.31Å; S761-R1032 WeakPolarHBondContact OG-CD 3.35Å; F1026-R1032 CarbonylContact C-O 3.47Å; F1026-R1032 WeakPolarHBondContact CA-O 3.44Å; L1027-R1032 HydrophobicContact CD1-CB 3.87Å; L1027-R1032 HydrophobicContact CG-CB 4.12Å; L1027-R1032 PolarHBondContact N-O 3.19Å; G1030-R1032 PolarHBondContact O-N 2.72Å; R1032-W1046 CarbonylContact C-O 3.51Å; R1032-W1046 WeakPolarHBondContact CA-O 3.43Å; R1032-W1046 WeakPolarHBondContact CB-O 3.41Å
1033	L	98.7	Very high	97.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	141.6	164.7	-172.8	79.3	0	0	0	108.9	L407 A989 V997 F1026 W1046	L407-L1033 HydrophobicContact CD1-CD2 3.64Å; L407-L1033 HydrophobicContact CD2-CB 4.48Å; A989-L1033 HydrophobicContact CB-CD1 3.53Å; A989-L1033 HydrophobicContact CB-CD2 3.73Å; A989-L1033 HydrophobicContact CB-CG 4.31Å; V997-L1033 HydrophobicContact CG1-CD2 3.61Å; F1026-L1033 HydrophobicContact CD1-CB 4.21Å; F1026-L1033 HydrophobicContact CD1-CD1 3.84Å; F1026-L1033 HydrophobicContact CD2-CD1 3.75Å; F1026-L1033 HydrophobicContact CE1-CB 4.26Å; F1026-L1033 HydrophobicContact CE1-CD1 3.93Å; F1026-L1033 HydrophobicContact CE2-CD1 3.85Å; F1026-L1033 HydrophobicContact CG-CD1 3.75Å; F1026-L1033 HydrophobicContact CZ-CD1 3.94Å; L1033-W1046 HydrophobicContact CB-CB 4.24Å; L1033-W1046 PolarHBondContact N-O 2.74Å; L1033-W1046 PolarHBondContact O-N 3.25Å
1034	I	98.8	Very high	97.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	138.4	168.2	-51.5	-60.3	0	0	0	108.3	L738 F747 V1024 T1025 L1027 V1043 L1044 Q1045	L738-I1034 HydrophobicContact CD1-CB 4.37Å; L738-I1034 HydrophobicContact CD1-CG2 3.76Å; L738-I1034 HydrophobicContact CD2-CB 4.5Å; L738-I1034 HydrophobicContact CD2-CG2 4.35Å; F747-I1034 HydrophobicContact CD1-CD1 3.83Å; F747-I1034 HydrophobicContact CD1-CG1 3.82Å; F747-I1034 HydrophobicContact CD2-CG2 4.06Å; F747-I1034 HydrophobicContact CE1-CD1 3.57Å; F747-I1034 HydrophobicContact CE1-CG1 4.04Å; F747-I1034 HydrophobicContact CE2-CG2 3.95Å; F747-I1034 HydrophobicContact CG-CG1 4.1Å; F747-I1034 HydrophobicContact CG-CG2 4.44Å; F747-I1034 HydrophobicContact CZ-CD1 4.08Å; F747-I1034 HydrophobicContact CZ-CG1 4.5Å; F747-I1034 HydrophobicContact CZ-CG2 4.21Å; V1024-I1034 CarbonylContact C-O 3.59Å; V1024-I1034 WeakPolarHBondContact CA-O 3.23Å; T1025-I1034 PolarHBondContact N-O 3.07Å; T1025-I1034 PolarHBondContact O-N 2.8Å; L1027-I1034 HydrophobicContact CD2-CD1 4.44Å; L1027-I1034 HydrophobicContact CD2-CG1 3.8Å; L1027-I1034 HydrophobicContact CG-CG1 4.32Å; I1034-V1043 HydrophobicContact CG2-CG1 3.49Å; I1034-V1043 VanDerWaalsContact CG2-CG1 3.49Å; I1034-L1044 WeakPolarHBondContact CA-O 3.08Å; I1034-Q1045 HydrophobicContact CD1-CB 3.86Å; I1034-Q1045 HydrophobicContact CD1-CG 3.76Å
1035	S	98.8	Very high	97.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	147.9	172.5	64.6	0	0	0	0	112.4	H1017 N1023 V1043 L1044 W1046	H1017-S1035 PolarHBondContact NE2-OG 3.33Å; N1023-S1035 WeakPolarHBondContact O-CA 3.45Å; S1035-V1043 WeakPolarHBondContact O-CA 3.28Å; S1035-L1044 PolarHBondContact N-O 3.34Å; S1035-L1044 PolarHBondContact O-N 3.4Å; S1035-W1046 PolarHBondContact OG-NE1 2.65Å
1036	T	98.7	Very high	97.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	135.2	-178.7	56.5	0	0	0	0	110.8	F735 L738 T749 V1021 T1022 N1023 V1043	F735-T1036 HydrophobicContact CD2-CG2 4.31Å; F735-T1036 HydrophobicContact CE2-CG2 3.39Å; F735-T1036 HydrophobicContact CZ-CG2 3.85Å; L738-T1036 HydrophobicContact CB-CG2 4.22Å; L738-T1036 HydrophobicContact CD1-CG2 4.2Å; L738-T1036 HydrophobicContact CD2-CG2 4.15Å; L738-T1036 HydrophobicContact CG-CG2 4.42Å; T749-T1036 HydrophobicContact CG2-CG2 4.41Å; V1021-T1036 CarbonylContact C-O 3.58Å; V1021-T1036 WeakPolarHBondContact CA-O 3.39Å; T1022-T1036 PolarHBondContact N-O 3.15Å; T1022-T1036 PolarHBondContact OG1-O 2.78Å; T1022-T1036 PolarHBondContact OG1-OG1 2.81Å; N1023-T1036 VanDerWaalsContact CB-OG1 3.27Å; N1023-T1036 WeakPolarHBondContact CB-OG1 3.18Å; N1023-T1036 PolarHBondContact N-OG1 2.9Å; N1023-T1036 PolarHBondContact O-N 3.5Å; T1036-V1043 HydrophobicContact CG2-CG1 4.4Å; T1036-V1043 HydrophobicContact CG2-CG2 4.4Å
1037	G	97.3	Very high	97.6	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.			trans	-105.1	17.3	-173.5	0	0	0	0	0	115.8	H1017 H1020 K1039 D1040 A1042	H1017-G1037 PolarHBondContact CE1-N 3.2Å; H1017-G1037 WeakPolarHBondContact ND1-CA 3.44Å; H1017-G1037 PolarHBondContact ND1-N 2.99Å; H1020-G1037 CarbonylContact O-C 3.6Å; H1020-G1037 VanDerWaalsContact O-C 3.24Å; H1020-G1037 WeakPolarHBondContact O-CA 3.06Å; G1037-K1039 PolarHBondContact O-N 3.32Å; G1037-D1040 VanDerWaalsContact CA-OD1 3.24Å; G1037-D1040 WeakPolarHBondContact CA-OD1 3.12Å; G1037-D1040 VanDerWaalsContact O-CG 3.3Å; G1037-D1040 PolarHBondContact O-N 2.9Å; G1037-D1040 VanDerWaalsContact O-N 3.07Å; G1037-A1042 PolarHBondContact N-O 3.36Å; G1037-A1042 VanDerWaalsContact N-O 3.15Å
1038	G	96.8	Very high	97.5	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	55.3	-105.5	176.1	0	0	0	0	0	113.4	F735 D1040 T1041	F735-G1038 WeakPolarHBondContact CD1-O 3.29Å; F735-G1038 WeakPolarHBondContact O-CA 3.46Å; G1038-D1040 VanDerWaalsContact C-N 3.26Å; G1038-D1040 PolarHBondContact O-N 3.45Å; G1038-T1041 PolarHBondContact O-N 2.96Å
1039	K	96.2	Very high	97.6	Very high	94 Å²	94	16.5 Å²	16.5	41%	0.409	9%	0.086	S	C	.	.	G	3₁₀ helix	trans	-69.3	-19.5	-176.7	-63	176.3	-178.5	168.1	0	113.7	E734 G1037 T1041	E734-K1039 HydrophobicContact CB-CG 4.02Å; E734-K1039 HydrophobicContact CG-CG 3.69Å; E734-K1039 WeakPolarHBondContact OE2-CE 3.12Å; E734-K1039 WeakPolarHBondContact OE2-CG 3.34Å; G1037-K1039 PolarHBondContact O-N 3.32Å; K1039-T1041 PolarHBondContact O-N 2.95Å
1040	D	96.4	Very high	97.1	Very high	3 Å²	3	23 Å²	23	2%	0.016	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-77.4	-8.5	175.3	77.4	18	0	0	0	113.5	A437 H1017 S1018 G1037 G1038 A1042	A437-D1040 HydrophobicContact CB-CB 3.69Å; A437-D1040 WeakPolarHBondContact CB-OD2 3.08Å; H1017-D1040 WeakPolarHBondContact CA-OD2 3.45Å; H1017-D1040 VanDerWaalsContact CB-OD2 3.25Å; H1017-D1040 WeakPolarHBondContact CB-OD2 3.44Å; H1017-D1040 IonicContact CG-OD2 2.76Å; H1017-D1040 IonicContact ND1-OD1 3.05Å; H1017-D1040 IonicContact ND1-OD2 2.7Å; H1017-D1040 PolarHBondContact ND1-OD2 3Å; S1018-D1040 PolarHBondContact N-OD2 3.28Å; S1018-D1040 VanDerWaalsContact OG-CB 3.3Å; S1018-D1040 WeakPolarHBondContact OG-CB 3.38Å; G1037-D1040 VanDerWaalsContact CA-OD1 3.24Å; G1037-D1040 WeakPolarHBondContact CA-OD1 3.12Å; G1037-D1040 VanDerWaalsContact O-CG 3.3Å; G1037-D1040 PolarHBondContact O-N 2.9Å; G1037-D1040 VanDerWaalsContact O-N 3.07Å; G1038-D1040 VanDerWaalsContact C-N 3.26Å; G1038-D1040 PolarHBondContact O-N 3.45Å; D1040-A1042 PolarHBondContact O-N 2.83Å; D1040-A1042 WeakPolarHBondContact OD1-CB 3.46Å; D1040-A1042 PolarHBondContact OD1-N 3.23Å
1041	T	97.7	Very high	97.1	Very high	13 Å²	13	24 Å²	24	8%	0.08	12%	0.123	C	C	.	.			trans	63	9.7	178	61.2	0	0	0	0	116.3	N713 H731 G1038 K1039	N713-T1041 WeakPolarHBondContact ND2-CB 3.02Å; N713-T1041 PolarHBondContact ND2-OG1 3.16Å; N713-T1041 VanDerWaalsContact ND2-OG1 3.07Å; H731-T1041 WeakPolarHBondContact O-CB 3.32Å; G1038-T1041 PolarHBondContact O-N 2.96Å; K1039-T1041 PolarHBondContact O-N 2.95Å
1042	A	98	Very high	97.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.118	C	C	.	.			trans	-95.5	143.5	-178.3	0	0	0	0	0	113.2	I412 V436 A437 F735 H1017 G1037 D1040 L1044	I412-A1042 HydrophobicContact CG2-CB 4.47Å; V436-A1042 HydrophobicContact CG1-CB 4.16Å; V436-A1042 HydrophobicContact CG2-CB 4.07Å; A437-A1042 HydrophobicContact CB-CB 4.07Å; F735-A1042 WeakPolarHBondContact CZ-O 3.45Å; H1017-A1042 PolarHBondContact CE1-O 2.94Å; G1037-A1042 PolarHBondContact N-O 3.36Å; G1037-A1042 VanDerWaalsContact N-O 3.15Å; D1040-A1042 PolarHBondContact O-N 2.83Å; D1040-A1042 WeakPolarHBondContact OD1-CB 3.46Å; D1040-A1042 PolarHBondContact OD1-N 3.23Å; A1042-L1044 HydrophobicContact CB-CD1 3.58Å
1043	V	98.6	Very high	97.1	Very high	3 Å²	3	23 Å²	23	2%	0.018	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.2	159.8	-171.2	0	0	0	0	108	I412 Y413 F735 F747 T749 I1034 S1035 T1036	I412-V1043 WeakPolarHBondContact CA-O 3.34Å; Y413-V1043 HydrophobicContact CD2-CB 4.14Å; Y413-V1043 HydrophobicContact CD2-CG1 4.31Å; Y413-V1043 PolarHBondContact N-O 3.36Å; Y413-V1043 PolarHBondContact O-N 3.29Å; F735-V1043 HydrophobicContact CE2-CG2 3.79Å; F735-V1043 HydrophobicContact CZ-CG2 3.62Å; F747-V1043 HydrophobicContact CE2-CG1 3.95Å; F747-V1043 HydrophobicContact CZ-CG1 4.28Å; T749-V1043 HydrophobicContact CG2-CG2 4.22Å; I1034-V1043 HydrophobicContact CG2-CG1 3.49Å; I1034-V1043 VanDerWaalsContact CG2-CG1 3.49Å; S1035-V1043 WeakPolarHBondContact O-CA 3.28Å; T1036-V1043 HydrophobicContact CG2-CG1 4.4Å; T1036-V1043 HydrophobicContact CG2-CG2 4.4Å
1044	L	98.7	Very high	97	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.7	-180	-88	53.5	0	0	0	109.5	L409 I412 I1034 S1035 A1042 W1046	L409-L1044 HydrophobicContact CD1-CB 4.05Å; L409-L1044 HydrophobicContact CD1-CD2 4.39Å; L409-L1044 HydrophobicContact CD1-CG 3.94Å; I412-L1044 HydrophobicContact CB-CD1 4.45Å; I412-L1044 HydrophobicContact CD1-CD1 3.89Å; I412-L1044 HydrophobicContact CD1-CG 4.06Å; I412-L1044 HydrophobicContact CG1-CD1 3.87Å; I412-L1044 HydrophobicContact CG1-CG 3.93Å; I412-L1044 HydrophobicContact CG2-CD1 4.02Å; I1034-L1044 WeakPolarHBondContact CA-O 3.08Å; S1035-L1044 PolarHBondContact N-O 3.34Å; S1035-L1044 PolarHBondContact O-N 3.4Å; A1042-L1044 HydrophobicContact CB-CD1 3.58Å; L1044-W1046 HydrophobicContact CB-CZ2 3.95Å; L1044-W1046 HydrophobicContact CD2-CH2 4.02Å; L1044-W1046 HydrophobicContact CD2-CZ2 3.62Å; L1044-W1046 HydrophobicContact CG-CZ2 4.32Å
1045	Q	98.6	Very high	96.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124.8	177.6	172.8	168.4	-52.8	0	0	110.3	E410 W411 Y413 S761 I1034	E410-Q1045 PolarHBondContact N-O 3.02Å; E410-Q1045 PolarHBondContact OE2-NE2 3.03Å; W411-Q1045 HydrophobicContact CB-CB 4.24Å; W411-Q1045 PolarHBondContact N-O 3.03Å; W411-Q1045 PolarHBondContact O-N 3.33Å; Y413-Q1045 HydrophobicContact CE2-CB 4.18Å; Y413-Q1045 PolarHBondContact OH-OE1 3.41Å; S761-Q1045 PolarHBondContact O-NE2 3.16Å; S761-Q1045 PolarHBondContact OG-NE2 3.35Å; S761-Q1045 PolarHBondContact OG-OE1 2.84Å; I1034-Q1045 HydrophobicContact CD1-CB 3.86Å; I1034-Q1045 HydrophobicContact CD1-CG 3.76Å
1046	W	98.6	Very high	96.7	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.015	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.5	-175	-41.2	81.6	0	0	0	110.4	L407 K408 L409 V997 Y1014 R1032 L1033 S1035 L1044	L407-W1046 HydrophobicContact CB-CB 4.13Å; L407-W1046 HydrophobicContact CB-CE3 4.37Å; L407-W1046 HydrophobicContact CD1-CB 4.34Å; L407-W1046 HydrophobicContact CD1-CG 4.35Å; L407-W1046 HydrophobicContact CD2-CB 4.43Å; K408-W1046 CarbonylContact O-C 3.59Å; K408-W1046 VanDerWaalsContact O-CA 3.3Å; K408-W1046 WeakPolarHBondContact O-CA 3.5Å; L409-W1046 HydrophobicContact CB-CE3 3.89Å; L409-W1046 HydrophobicContact CB-CZ3 3.92Å; L409-W1046 HydrophobicContact CD1-CD2 4.12Å; L409-W1046 HydrophobicContact CD1-CE3 3.96Å; L409-W1046 HydrophobicContact CD1-CH2 4.3Å; L409-W1046 HydrophobicContact CD1-CZ2 4.45Å; L409-W1046 HydrophobicContact CD1-CZ3 4.05Å; L409-W1046 HydrophobicContact CG-CZ3 4.5Å; V997-W1046 HydrophobicContact CB-CZ2 4.23Å; V997-W1046 HydrophobicContact CG2-CZ2 3.8Å; Y1014-W1046 HydrophobicContact CG-CZ3 4.29Å; R1032-W1046 CarbonylContact C-O 3.51Å; R1032-W1046 WeakPolarHBondContact CA-O 3.43Å; R1032-W1046 WeakPolarHBondContact CB-O 3.41Å; L1033-W1046 HydrophobicContact CB-CB 4.24Å; L1033-W1046 PolarHBondContact N-O 2.74Å; L1033-W1046 PolarHBondContact O-N 3.25Å; S1035-W1046 PolarHBondContact OG-NE1 2.65Å; L1044-W1046 HydrophobicContact CB-CZ2 3.95Å; L1044-W1046 HydrophobicContact CD2-CH2 4.02Å; L1044-W1046 HydrophobicContact CD2-CZ2 3.62Å; L1044-W1046 HydrophobicContact CG-CZ2 4.32Å
1047	E	97.7	Very high	96.6	Very high	57 Å²	57	29.6 Å²	29.6	27%	0.266	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	133.4	166.1	-176.7	178.1	-150.2	0	0	109.5	L407 K408 E410	L407-E1047 WeakPolarHBondContact CA-O 3.29Å; K408-E1047 HydrophobicContact CB-CB 4.44Å; K408-E1047 PolarHBondContact N-O 3.47Å; K408-E1047 IonicContact NZ-OE2 2.73Å; K408-E1047 PolarHBondContact NZ-OE2 3.29Å; K408-E1047 PolarHBondContact O-N 2.86Å; E410-E1047 HydrophobicContact CB-CB 4.42Å
1048	V	97.8	Very high	96.5	Very high	22 Å²	22	31.8 Å²	31.8	13%	0.133	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	110.4	176	-178.7	0	0	0	0	108.7	T405 L407 I987 F1026 G1030 S1031	T405-V1048 HydrophobicContact CG2-CG1 3.67Å; L407-V1048 HydrophobicContact CD2-CG2 3.85Å; I987-V1048 HydrophobicContact CD1-CG1 3.95Å; F1026-V1048 HydrophobicContact CD1-CG2 4.16Å; F1026-V1048 HydrophobicContact CE1-CG2 3.92Å; G1030-V1048 WeakPolarHBondContact O-CG2 3.35Å; S1031-V1048 WeakPolarHBondContact O-CB 3.45Å; S1031-V1048 PolarHBondContact O-N 3.39Å
1049	C	95.8	Very high	96.5	Very high	35 Å²	35	34.5 Å²	34.5	24%	0.236	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	111.3	-176.2	-58	0	0	0	0	110.4	T405 T406	T405-C1049 CarbonylContact C-O 3.57Å; T405-C1049 WeakPolarHBondContact CA-O 3.09Å; T405-C1049 WeakPolarHBondContact CG2-O 3.44Å; T406-C1049 PolarHBondContact N-O 2.83Å; T406-C1049 PolarHBondContact O-N 2.73Å; T406-C1049 WeakPolarHBondContact OG1-CB 3.48Å; T406-C1049 PolarHBondContact OG1-O 2.97Å; T406-C1049 VanDerWaalsContact OG1-O 3.14Å
1050	I	84	Confident	96.5	Very high	183 Å²	183	29.1 Å²	29.1	94%	0.938	16%	0.155	S	C	*	.			trans	-82.1	0	179.9	-56.3	177.3	0	0	0	110.7	T405	T405-I1050 HydrophobicContact CG2-CG1 4.15Å

Retrieved 1,050 of 1,050 residues in 624.2 ms (Link to these results)

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