A0A5K4ETY1_SCHMA Loading...

Putative WD-repeat protein

AlphaFold DB , UniProt , Accession A0A5K4ETY1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,034 aa.

						>A0A5K4ETY1_SCHMA|A0A5K4ETY1
MNLENAGLQDRVIDLEKRSAEQANELACLRSSLADCLRRLNLLESARGTNVTKTNSRTDSSYSSRRHTNSRNPTSTGHQSKNSRDSSLVVPHSTTASTTARTRLKSPQSVRLSSSSTTLNNQGVGVSGATNQTRRNRITSASSEDRQFNNFNNNKHERDNKTLSMYEYNDMIMSRQSEPITYQQKSSTLKSNTSSRYYEASTGPSGYTVFWRSAYDGELDDIYRMNHCQSPPGQQHSVSVSSSFRKNHTVAPPPPPPPPPALPPSSLCIPPNLVRRGRQSSGPSSSAYYCATDSDDRSVHLTSTSRSLHPTAWKPGGVAICPANREMIQSMNKPSCIPKFHDDDSKETTYLPGDGILRFYIRGRPVNVYMPTQIMQNYDLSIPLKAPDTTLKLEWIYGYRGRDCRNNLHYLPTGELIYFVAAVVVLYNIEEQCQRHYLEHTDDVKCIAIHPDRITVATGQSAGHDKQFGKPHVRIWSSVDLKTLKIIGLGEFERSVCCLSFSKTDSGVKLCAVDEATDHVISIWDWQKSRKITETKCSTEPITAVEFHPLDDATLVSGGKGHLAFWTFDGCTLSKKMGIFENGKQPIEKPKFILCLTFAENGDLLTGDSAGNIIAWKRGTNTVNQICQGVHEGGIFSLCLTNNGHLISGGGKDRRLVFFDAALNPTGRTEELTELYGSVRTITQGPGELLIIGTTKNMILQAGPGMEISPLMFGHFEEFWSLAKHPQAHQFITGGRDHLVILWDSLSKQAIWSKEFTDAIHCAAFYPPQSVLITNGTMSPVNNHNNDSNINGNNVIDETNNLDFNVSMMNSHDLLVVLGTSTGRWLVFNCLKQEIIAAHSDGLGEQIECVAYSPDGNYLALGSRDNVIYVYNVLERGYKYNRVGRCCGHTSFILHIDWSVDGRFIRSVSGDYEILFWTAFDCRQVVSPSTLRDLEWASQTCTLGWEVAGIWPSDSDGTDVNACDRSPTADILATGDDYGKVKLFKYPTNKPKAEFRAYNGHSSHVTNVTFLYDGSRLISTGGKDTAVLQWEVCI
					

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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	49.5	Very low	67.1	Low	171 Å²	171	116.8 Å²	116.8	84%	0.842	60%	0.603	S	S	*	*				0	-93.8	0	-69.1	-167.1	-86.2	0	0	111.3	L3 E4 N5	M1-L3 PolarHBondContact O-N 2.76Å; M1-L3 VanDerWaalsContact O-N 3.12Å; M1-E4 PolarHBondContact N-OE2 2.65Å; M1-E4 WeakPolarHBondContact O-CB 3.37Å; M1-E4 PolarHBondContact O-N 2.73Å; M1-N5 PolarHBondContact O-N 3.24Å
2	N	57.5	Low	68.5	Low	144 Å²	144	113.3 Å²	113.3	77%	0.77	59%	0.59	S	S	*	*	H	α-helix	trans	-55.6	-39.4	-167	-66.9	27.3	0	0	0	116	A6	N2-A6 PolarHBondContact O-N 3.49Å
3	L	54.6	Low	69.5	Low	163 Å²	163	112.5 Å²	112.5	85%	0.853	59%	0.585	S	S	*	*	H	α-helix	trans	-68.7	-34.4	174.8	-105.7	74.9	0	0	0	113.6	M1 G7	M1-L3 PolarHBondContact O-N 2.76Å; M1-L3 VanDerWaalsContact O-N 3.12Å; L3-G7 PolarHBondContact O-N 3.22Å
4	E	59.5	Low	70.3	Confident	134 Å²	134	109.2 Å²	109.2	63%	0.626	57%	0.569	S	S	*	*	H	α-helix	trans	-72.8	-35	179	-68.5	161	112.2	0	0	111.2	M1 G7 L8	M1-E4 PolarHBondContact N-OE2 2.65Å; M1-E4 WeakPolarHBondContact O-CB 3.37Å; M1-E4 PolarHBondContact O-N 2.73Å; E4-G7 PolarHBondContact O-N 2.81Å; E4-L8 WeakPolarHBondContact O-CG 3.43Å; E4-L8 PolarHBondContact O-N 3.03Å
5	N	67.5	Low	70.9	Confident	93 Å²	93	109.3 Å²	109.3	50%	0.497	57%	0.57	S	S	.	*	H	α-helix	trans	-64	-41.3	175.7	-72.6	13.1	0	0	0	111.8	M1 L8 Q9	M1-N5 PolarHBondContact O-N 3.24Å; N5-L8 WeakPolarHBondContact O-CB 3.32Å; N5-L8 PolarHBondContact O-N 2.98Å; N5-Q9 WeakPolarHBondContact O-CG 3.38Å; N5-Q9 PolarHBondContact O-N 2.91Å
6	A	67.7	Low	71.5	Confident	45 Å²	45	109.9 Å²	109.9	37%	0.372	57%	0.568	S	S	.	*	H	α-helix	trans	-60.5	-50.8	175.3	0	0	0	0	0	111.4	N2 L8 Q9 D10	N2-A6 PolarHBondContact O-N 3.49Å; A6-L8 PolarHBondContact O-N 2.79Å; A6-L8 VanDerWaalsContact O-N 3.11Å; A6-Q9 PolarHBondContact O-N 3.39Å; A6-D10 PolarHBondContact O-N 2.9Å; A6-D10 VanDerWaalsContact O-N 3.08Å
7	G	76.6	Confident	71.9	Confident	33 Å²	33	110.9 Å²	110.9	34%	0.34	57%	0.567	S	S	.	*	H	α-helix	trans	-66.6	-10.3	176.5	0	0	0	0	0	115.1	L3 E4 R11	L3-G7 PolarHBondContact O-N 3.22Å; E4-G7 PolarHBondContact O-N 2.81Å; G7-R11 WeakPolarHBondContact O-CD 3.34Å; G7-R11 VanDerWaalsContact O-CG 3.27Å; G7-R11 WeakPolarHBondContact O-CG 3.27Å
8	L	74.8	Confident	72.3	Confident	93 Å²	93	112 Å²	112	49%	0.487	56%	0.563	S	S	.	*	H	α-helix	trans	-86.5	-41.1	167	-75.8	167.5	0	0	0	111.6	E4 N5 A6 R11 V12	E4-L8 WeakPolarHBondContact O-CG 3.43Å; E4-L8 PolarHBondContact O-N 3.03Å; N5-L8 WeakPolarHBondContact O-CB 3.32Å; N5-L8 PolarHBondContact O-N 2.98Å; A6-L8 PolarHBondContact O-N 2.79Å; A6-L8 VanDerWaalsContact O-N 3.11Å; L8-R11 PolarHBondContact O-N 2.9Å; L8-V12 WeakPolarHBondContact O-CG2 3.4Å; L8-V12 PolarHBondContact O-N 3.2Å
9	Q	72.1	Confident	72.6	Confident	133 Å²	133	110.1 Å²	110.1	62%	0.621	56%	0.561	S	S	*	*	H	α-helix	trans	-61.1	-47.7	176.8	-70.7	179.2	-73	0	0	111.8	N5 A6 R11 V12 I13	N5-Q9 WeakPolarHBondContact O-CG 3.38Å; N5-Q9 PolarHBondContact O-N 2.91Å; A6-Q9 PolarHBondContact O-N 3.39Å; Q9-R11 PolarHBondContact O-N 2.64Å; Q9-V12 PolarHBondContact O-N 2.88Å; Q9-I13 WeakPolarHBondContact O-CG1 3.41Å; Q9-I13 PolarHBondContact O-N 2.83Å
10	D	77.2	Confident	72.4	Confident	112 Å²	112	107.1 Å²	107.1	60%	0.599	55%	0.554	S	S	*	*	H	α-helix	trans	-56	-37	177	-64.7	-28.6	0	0	0	112.3	A6 D14	A6-D10 PolarHBondContact O-N 2.9Å; A6-D10 VanDerWaalsContact O-N 3.08Å; D10-D14 WeakPolarHBondContact O-CB 3.25Å; D10-D14 PolarHBondContact O-N 2.83Å; D10-D14 VanDerWaalsContact O-N 3.1Å
11	R	81.1	Confident	72.3	Confident	164 Å²	164	106.7 Å²	106.7	62%	0.619	55%	0.55	S	S	*	.	H	α-helix	trans	-77.4	-27	179.3	-72.1	177.2	62.4	-162.3	-4.2	113.5	G7 L8 Q9 L15	G7-R11 WeakPolarHBondContact O-CD 3.34Å; G7-R11 VanDerWaalsContact O-CG 3.27Å; G7-R11 WeakPolarHBondContact O-CG 3.27Å; L8-R11 PolarHBondContact O-N 2.9Å; Q9-R11 PolarHBondContact O-N 2.64Å; R11-L15 WeakPolarHBondContact O-CB 3.23Å; R11-L15 WeakPolarHBondContact O-CD1 3.48Å; R11-L15 VanDerWaalsContact O-CG 3.25Å; R11-L15 WeakPolarHBondContact O-CG 3.46Å; R11-L15 PolarHBondContact O-N 2.8Å
12	V	83.5	Confident	73.6	Confident	74 Å²	74	104.5 Å²	104.5	45%	0.448	54%	0.537	S	S	.	.	H	α-helix	trans	-70.2	-47	171.4	169.9	0	0	0	0	109.3	L8 Q9 D14 L15 E16	L8-V12 WeakPolarHBondContact O-CG2 3.4Å; L8-V12 PolarHBondContact O-N 3.2Å; Q9-V12 PolarHBondContact O-N 2.88Å; V12-D14 PolarHBondContact O-N 2.84Å; V12-L15 WeakPolarHBondContact O-CB 3.43Å; V12-L15 PolarHBondContact O-N 2.89Å; V12-E16 HydrophobicContact CG1-CG 4.23Å; V12-E16 WeakPolarHBondContact CG1-OE1 3.49Å; V12-E16 WeakPolarHBondContact O-CG 3.39Å; V12-E16 PolarHBondContact O-N 2.96Å
13	I	82.3	Confident	74.2	Confident	103 Å²	103	100 Å²	100	53%	0.528	52%	0.521	S	S	.	.	H	α-helix	trans	-60.7	-42.3	178.9	-64.2	164.6	0	0	0	111.6	Q9 L15 E16 K17	Q9-I13 WeakPolarHBondContact O-CG1 3.41Å; Q9-I13 PolarHBondContact O-N 2.83Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 2.88Å; I13-E16 PolarHBondContact O-N 2.82Å; I13-K17 WeakPolarHBondContact O-CB 3.37Å; I13-K17 PolarHBondContact O-N 3.09Å
14	D	81	Confident	74.5	Confident	67 Å²	67	96 Å²	96	36%	0.358	50%	0.5	S	S	.	.	H	α-helix	trans	-64.8	-34	174.3	176.4	52.2	0	0	0	112.8	D10 V12 R18	D10-D14 WeakPolarHBondContact O-CB 3.25Å; D10-D14 PolarHBondContact O-N 2.83Å; D10-D14 VanDerWaalsContact O-N 3.1Å; V12-D14 PolarHBondContact O-N 2.84Å; D14-R18 VanDerWaalsContact CG-NE 3.29Å; D14-R18 WeakPolarHBondContact O-CD 3.32Å; D14-R18 WeakPolarHBondContact O-CG 3.4Å; D14-R18 PolarHBondContact O-N 2.84Å; D14-R18 VanDerWaalsContact O-N 3.16Å; D14-R18 IonicContact OD1-CZ 2.8Å; D14-R18 VanDerWaalsContact OD1-CZ 3.29Å; D14-R18 IonicContact OD1-NE 3.43Å; D14-R18 PolarHBondContact OD1-NE 2.77Å; D14-R18 IonicContact OD1-NH2 3.52Å; D14-R18 PolarHBondContact OD1-NH2 2.7Å; D14-R18 IonicContact OD2-CZ 3.04Å; D14-R18 IonicContact OD2-NE 2.67Å; D14-R18 PolarHBondContact OD2-NE 2.62Å; D14-R18 IonicContact OD2-NH2 2.83Å; D14-R18 PolarHBondContact OD2-NH2 3.42Å
15	L	79.3	Confident	75.1	Confident	111 Å²	111	95.8 Å²	95.8	58%	0.581	50%	0.499	S	S	*	.	H	α-helix	trans	-73.9	-42.1	174.7	-76	169.6	0	0	0	112.6	R11 V12 I13 R18 S19	R11-L15 WeakPolarHBondContact O-CB 3.23Å; R11-L15 WeakPolarHBondContact O-CD1 3.48Å; R11-L15 VanDerWaalsContact O-CG 3.25Å; R11-L15 WeakPolarHBondContact O-CG 3.46Å; R11-L15 PolarHBondContact O-N 2.8Å; V12-L15 WeakPolarHBondContact O-CB 3.43Å; V12-L15 PolarHBondContact O-N 2.89Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 2.88Å; L15-R18 PolarHBondContact O-N 3.42Å; L15-S19 WeakPolarHBondContact O-CB 3.38Å; L15-S19 PolarHBondContact O-N 2.64Å
16	E	80.3	Confident	75.1	Confident	118 Å²	118	95.5 Å²	95.5	55%	0.551	50%	0.497	S	S	*	.	H	α-helix	trans	-61.2	-45.4	175.8	-73	169.6	161.7	0	0	110.8	V12 I13 S19 A20	V12-E16 HydrophobicContact CG1-CG 4.23Å; V12-E16 WeakPolarHBondContact CG1-OE1 3.49Å; V12-E16 WeakPolarHBondContact O-CG 3.39Å; V12-E16 PolarHBondContact O-N 2.96Å; I13-E16 PolarHBondContact O-N 2.82Å; E16-S19 WeakPolarHBondContact O-CB 3.32Å; E16-S19 PolarHBondContact O-N 2.69Å; E16-A20 PolarHBondContact O-N 2.94Å
17	K	77.7	Confident	74.6	Confident	127 Å²	127	94.7 Å²	94.7	55%	0.552	49%	0.49	S	S	*	.	H	α-helix	trans	-59	-48.7	174.6	-178.1	179.2	170.9	-175.7	0	112.3	I13 S19 A20 E21	I13-K17 WeakPolarHBondContact O-CB 3.37Å; I13-K17 PolarHBondContact O-N 3.09Å; K17-S19 VanDerWaalsContact C-N 3.28Å; K17-S19 PolarHBondContact O-N 3.34Å; K17-A20 PolarHBondContact O-N 2.94Å; K17-E21 WeakPolarHBondContact CE-OE1 3.49Å; K17-E21 IonicContact NZ-OE1 2.74Å; K17-E21 WeakPolarHBondContact O-CG 3.43Å; K17-E21 PolarHBondContact O-N 3.4Å
18	R	79.1	Confident	74	Confident	131 Å²	131	97.2 Å²	97.2	49%	0.494	50%	0.502	S	S	.	.	H	α-helix	trans	-64.4	-33.5	177.7	-70.4	168.8	-162.8	-142.7	8.9	112.4	D14 L15 E21 Q22	D14-R18 VanDerWaalsContact CG-NE 3.29Å; D14-R18 WeakPolarHBondContact O-CD 3.32Å; D14-R18 WeakPolarHBondContact O-CG 3.4Å; D14-R18 PolarHBondContact O-N 2.84Å; D14-R18 VanDerWaalsContact O-N 3.16Å; D14-R18 IonicContact OD1-CZ 2.8Å; D14-R18 VanDerWaalsContact OD1-CZ 3.29Å; D14-R18 IonicContact OD1-NE 3.43Å; D14-R18 PolarHBondContact OD1-NE 2.77Å; D14-R18 IonicContact OD1-NH2 3.52Å; D14-R18 PolarHBondContact OD1-NH2 2.7Å; D14-R18 IonicContact OD2-CZ 3.04Å; D14-R18 IonicContact OD2-NE 2.67Å; D14-R18 PolarHBondContact OD2-NE 2.62Å; D14-R18 IonicContact OD2-NH2 2.83Å; D14-R18 PolarHBondContact OD2-NH2 3.42Å; L15-R18 PolarHBondContact O-N 3.42Å; R18-E21 PolarHBondContact O-N 2.71Å; R18-Q22 WeakPolarHBondContact O-CB 3.19Å; R18-Q22 WeakPolarHBondContact O-CG 3.37Å; R18-Q22 PolarHBondContact O-N 2.6Å
19	S	77.6	Confident	73.9	Confident	75 Å²	75	98.1 Å²	98.1	52%	0.524	51%	0.507	S	S	.	.	H	α-helix	trans	-63.3	-44.3	173.4	-169.3	0	0	0	0	111.1	L15 E16 K17 Q22 A23	L15-S19 WeakPolarHBondContact O-CB 3.38Å; L15-S19 PolarHBondContact O-N 2.64Å; E16-S19 WeakPolarHBondContact O-CB 3.32Å; E16-S19 PolarHBondContact O-N 2.69Å; K17-S19 VanDerWaalsContact C-N 3.28Å; K17-S19 PolarHBondContact O-N 3.34Å; S19-Q22 PolarHBondContact O-N 3.01Å; S19-A23 WeakPolarHBondContact O-CB 3.25Å; S19-A23 PolarHBondContact O-N 3.14Å
20	A	68.8	Low	73.4	Confident	51 Å²	51	97.5 Å²	97.5	42%	0.421	50%	0.498	S	S	.	.	H	α-helix	trans	-65.3	-41.3	174.5	0	0	0	0	0	112.7	E16 K17 A23 N24	E16-A20 PolarHBondContact O-N 2.94Å; K17-A20 PolarHBondContact O-N 2.94Å; A20-A23 PolarHBondContact O-N 2.88Å; A20-N24 PolarHBondContact O-N 3.36Å; A20-N24 PolarHBondContact O-ND2 2.81Å
21	E	70.8	Confident	72.6	Confident	98 Å²	98	94.3 Å²	94.3	46%	0.458	49%	0.485	S	S	.	.	H	α-helix	trans	-59.5	-46.8	173.9	-71.8	171.5	167.6	0	0	111.3	K17 R18 N24 E25	K17-E21 WeakPolarHBondContact CE-OE1 3.49Å; K17-E21 IonicContact NZ-OE1 2.74Å; K17-E21 WeakPolarHBondContact O-CG 3.43Å; K17-E21 PolarHBondContact O-N 3.4Å; R18-E21 PolarHBondContact O-N 2.71Å; E21-N24 PolarHBondContact O-N 2.9Å; E21-E25 PolarHBondContact O-N 3.37Å
22	Q	75.9	Confident	72.1	Confident	125 Å²	125	89.7 Å²	89.7	58%	0.584	48%	0.478	S	S	*	.	H	α-helix	trans	-67.3	-34.4	175.6	-73.4	-177.6	-12.2	0	0	113.5	R18 S19 N24 E25 L26	R18-Q22 WeakPolarHBondContact O-CB 3.19Å; R18-Q22 WeakPolarHBondContact O-CG 3.37Å; R18-Q22 PolarHBondContact O-N 2.6Å; S19-Q22 PolarHBondContact O-N 3.01Å; Q22-N24 VanDerWaalsContact C-N 3.3Å; Q22-N24 PolarHBondContact O-N 3.09Å; Q22-E25 PolarHBondContact O-N 3.35Å; Q22-L26 WeakPolarHBondContact O-CB 3.17Å; Q22-L26 WeakPolarHBondContact O-CG 3.47Å; Q22-L26 PolarHBondContact O-N 3.1Å
23	A	70	Confident	71.7	Confident	50 Å²	50	91 Å²	91	41%	0.413	48%	0.482	S	S	.	.	H	α-helix	trans	-63.8	-37.8	174.7	0	0	0	0	0	111.5	S19 A20 L26 A27	S19-A23 WeakPolarHBondContact O-CB 3.25Å; S19-A23 PolarHBondContact O-N 3.14Å; A20-A23 PolarHBondContact O-N 2.88Å; A23-L26 PolarHBondContact O-N 3Å; A23-A27 WeakPolarHBondContact O-CB 3.36Å; A23-A27 PolarHBondContact O-N 3.35Å
24	N	62.1	Low	70.9	Confident	78 Å²	78	87.1 Å²	87.1	42%	0.417	47%	0.465	S	S	.	.	H	α-helix	trans	-69.5	-43.2	175.2	-72.2	-25.7	0	0	0	112.2	A20 E21 Q22 L26 A27 C28	A20-N24 PolarHBondContact O-N 3.36Å; A20-N24 PolarHBondContact O-ND2 2.81Å; E21-N24 PolarHBondContact O-N 2.9Å; Q22-N24 VanDerWaalsContact C-N 3.3Å; Q22-N24 PolarHBondContact O-N 3.09Å; N24-L26 VanDerWaalsContact C-N 3.32Å; N24-L26 PolarHBondContact O-N 2.87Å; N24-A27 PolarHBondContact O-N 3.45Å; N24-A27 VanDerWaalsContact O-N 3.17Å; N24-C28 PolarHBondContact O-N 2.88Å
25	E	71.4	Confident	69.9	Low	131 Å²	131	85.2 Å²	85.2	61%	0.612	46%	0.455	S	S	*	.	H	α-helix	trans	-58.3	-44.4	171.5	-71	-173.2	160.6	0	0	111.7	E21 Q22 A27 C28 L29	E21-E25 PolarHBondContact O-N 3.37Å; Q22-E25 PolarHBondContact O-N 3.35Å; E25-A27 VanDerWaalsContact C-N 3.34Å; E25-A27 PolarHBondContact O-N 3.47Å; E25-C28 PolarHBondContact O-N 2.85Å; E25-L29 WeakPolarHBondContact O-CB 3.41Å; E25-L29 WeakPolarHBondContact O-CG 3.42Å; E25-L29 PolarHBondContact O-N 2.98Å
26	L	68	Low	69.6	Low	87 Å²	87	83.1 Å²	83.1	46%	0.455	45%	0.449	S	S	.	.	H	α-helix	trans	-63.7	-34.9	175.1	-80.9	164.8	0	0	0	113	Q22 A23 N24 R30	Q22-L26 WeakPolarHBondContact O-CB 3.17Å; Q22-L26 WeakPolarHBondContact O-CG 3.47Å; Q22-L26 PolarHBondContact O-N 3.1Å; A23-L26 PolarHBondContact O-N 3Å; N24-L26 VanDerWaalsContact C-N 3.32Å; N24-L26 PolarHBondContact O-N 2.87Å; L26-R30 WeakPolarHBondContact O-CB 3.37Å; L26-R30 WeakPolarHBondContact O-CD 3.35Å; L26-R30 WeakPolarHBondContact O-CG 3.2Å; L26-R30 PolarHBondContact O-N 2.76Å
27	A	58.1	Low	69.3	Low	28 Å²	28	80.5 Å²	80.5	23%	0.231	44%	0.438	C	S	.	.	H	α-helix	trans	-66.7	-43	175.3	0	0	0	0	0	111.7	A23 N24 E25 S31	A23-A27 WeakPolarHBondContact O-CB 3.36Å; A23-A27 PolarHBondContact O-N 3.35Å; N24-A27 PolarHBondContact O-N 3.45Å; N24-A27 VanDerWaalsContact O-N 3.17Å; E25-A27 VanDerWaalsContact C-N 3.34Å; E25-A27 PolarHBondContact O-N 3.47Å; A27-S31 PolarHBondContact O-N 3.43Å
28	C	63.6	Low	68.9	Low	85 Å²	85	76.6 Å²	76.6	57%	0.574	42%	0.42	S	S	*	.	H	α-helix	trans	-62	-49.4	172.9	-70.2	0	0	0	0	111.4	N24 E25 R30 S31 S32	N24-C28 PolarHBondContact O-N 2.88Å; E25-C28 PolarHBondContact O-N 2.85Å; C28-R30 VanDerWaalsContact C-N 3.34Å; C28-R30 PolarHBondContact O-N 3.13Å; C28-S31 WeakPolarHBondContact O-CB 3.32Å; C28-S31 PolarHBondContact O-N 3.4Å; C28-S31 VanDerWaalsContact O-N 3.12Å; C28-S32 PolarHBondContact O-N 2.91Å; C28-S32 PolarHBondContact O-OG 2.76Å
29	L	72.2	Confident	68.5	Low	113 Å²	113	76.8 Å²	76.8	59%	0.592	42%	0.421	S	S	*	.	H	α-helix	trans	-61	-39	178.6	-72.3	170.1	0	0	0	112.7	E25 S32 L33	E25-L29 WeakPolarHBondContact O-CB 3.41Å; E25-L29 WeakPolarHBondContact O-CG 3.42Å; E25-L29 PolarHBondContact O-N 2.98Å; L29-S32 PolarHBondContact O-N 3.5Å; L29-L33 VanDerWaalsContact O-CB 3.3Å; L29-L33 WeakPolarHBondContact O-CB 3.49Å; L29-L33 PolarHBondContact O-N 2.86Å
30	R	61.6	Low	68.3	Low	120 Å²	120	77.5 Å²	77.5	45%	0.453	42%	0.418	S	S	.	.	H	α-helix	trans	-62.1	-45	172.5	-77.1	165.8	175.1	146.3	-6.5	111.7	L26 C28 L33 A34	L26-R30 WeakPolarHBondContact O-CB 3.37Å; L26-R30 WeakPolarHBondContact O-CD 3.35Å; L26-R30 WeakPolarHBondContact O-CG 3.2Å; L26-R30 PolarHBondContact O-N 2.76Å; C28-R30 VanDerWaalsContact C-N 3.34Å; C28-R30 PolarHBondContact O-N 3.13Å; R30-L33 PolarHBondContact O-N 3.36Å; R30-A34 WeakPolarHBondContact O-CB 3.44Å; R30-A34 PolarHBondContact O-N 2.99Å
31	S	61	Low	68.3	Low	44 Å²	44	79.1 Å²	79.1	31%	0.308	42%	0.42	S	S	.	.	H	α-helix	trans	-59.7	-46.7	176.4	-123.1	0	0	0	0	111.6	A27 C28 A34 D35 K1023	A27-S31 PolarHBondContact O-N 3.43Å; C28-S31 WeakPolarHBondContact O-CB 3.32Å; C28-S31 PolarHBondContact O-N 3.4Å; C28-S31 VanDerWaalsContact O-N 3.12Å; S31-A34 PolarHBondContact O-N 3.34Å; S31-D35 PolarHBondContact O-N 2.83Å; S31-D35 VanDerWaalsContact O-N 3.09Å; S31-K1023 PolarHBondContact OG-NZ 2.81Å; S31-K1023 VanDerWaalsContact OG-NZ 3.11Å
32	S	69.7	Low	68.2	Low	68 Å²	68	79.7 Å²	79.7	48%	0.476	43%	0.425	S	S	.	.	H	α-helix	trans	-65.6	-38	177	-57	0	0	0	0	112.8	C28 L29 C36	C28-S32 PolarHBondContact O-N 2.91Å; C28-S32 PolarHBondContact O-OG 2.76Å; L29-S32 PolarHBondContact O-N 3.5Å; S32-C36 WeakPolarHBondContact O-CB 3.33Å; S32-C36 PolarHBondContact O-N 3.3Å; S32-C36 PolarHBondContact O-SG 3.38Å
33	L	75.2	Confident	67.9	Low	101 Å²	101	79 Å²	79	53%	0.529	43%	0.425	S	S	.	.	H	α-helix	trans	-68	-40.9	176.6	-178.3	61	0	0	0	111.8	L29 R30 C36 L37	L29-L33 VanDerWaalsContact O-CB 3.3Å; L29-L33 WeakPolarHBondContact O-CB 3.49Å; L29-L33 PolarHBondContact O-N 2.86Å; R30-L33 PolarHBondContact O-N 3.36Å; L33-C36 PolarHBondContact O-N 2.94Å; L33-L37 HydrophobicContact CD1-CD1 4.45Å; L33-L37 HydrophobicContact CD1-CG 4.42Å; L33-L37 HydrophobicContact CG-CD1 4.17Å; L33-L37 WeakPolarHBondContact O-CB 2.93Å; L33-L37 VanDerWaalsContact O-CG 3.31Å; L33-L37 WeakPolarHBondContact O-CG 3.43Å; L33-L37 PolarHBondContact O-N 3.38Å
34	A	66	Low	67.9	Low	21 Å²	21	82.6 Å²	82.6	17%	0.174	43%	0.433	C	S	.	.	H	α-helix	trans	-61.8	-43.8	175.3	0	0	0	0	0	111.7	R30 S31 L37 R38	R30-A34 WeakPolarHBondContact O-CB 3.44Å; R30-A34 PolarHBondContact O-N 2.99Å; S31-A34 PolarHBondContact O-N 3.34Å; A34-L37 PolarHBondContact O-N 2.78Å; A34-R38 WeakPolarHBondContact O-CG 3.37Å; A34-R38 PolarHBondContact O-N 2.78Å
35	D	59.9	Low	68	Low	27 Å²	27	82.5 Å²	82.5	14%	0.144	44%	0.439	C	S	.	.	H	α-helix	trans	-61.4	-46.3	172.6	177.7	36.9	0	0	0	112.2	S31 L37 R38 R39 H464	S31-D35 PolarHBondContact O-N 2.83Å; S31-D35 VanDerWaalsContact O-N 3.09Å; D35-L37 VanDerWaalsContact C-N 3.31Å; D35-L37 PolarHBondContact O-N 2.67Å; D35-R38 PolarHBondContact O-N 2.69Å; D35-R39 WeakPolarHBondContact O-CB 3.43Å; D35-R39 VanDerWaalsContact O-CG 3.29Å; D35-R39 WeakPolarHBondContact O-CG 3.32Å; D35-R39 PolarHBondContact O-N 3.21Å; D35-R39 IonicContact OD1-CZ 2.69Å; D35-R39 IonicContact OD1-NE 2.83Å; D35-R39 PolarHBondContact OD1-NE 3.05Å; D35-R39 IonicContact OD1-NH2 2.69Å; D35-R39 PolarHBondContact OD1-NH2 3.02Å; D35-R39 IonicContact OD2-CZ 2.7Å; D35-R39 IonicContact OD2-NE 2.67Å; D35-R39 PolarHBondContact OD2-NE 3.06Å; D35-R39 IonicContact OD2-NH2 2.67Å; D35-R39 PolarHBondContact OD2-NH2 3.3Å; D35-H464 VanDerWaalsContact CB-CE1 3.45Å; D35-H464 WeakPolarHBondContact CB-CE1 3.35Å; D35-H464 IonicContact OD1-CE1 3.53Å; D35-H464 PolarHBondContact OD1-CE1 3.05Å; D35-H464 IonicContact OD1-ND1 3.08Å; D35-H464 IonicContact OD2-CE1 2.74Å
36	C	72.9	Confident	67.5	Low	68 Å²	68	78.8 Å²	78.8	46%	0.459	43%	0.43	S	S	.	.	H	α-helix	trans	-58.1	-39.9	174.1	-75	0	0	0	0	113.1	S32 L33 L40	S32-C36 WeakPolarHBondContact O-CB 3.33Å; S32-C36 PolarHBondContact O-N 3.3Å; S32-C36 PolarHBondContact O-SG 3.38Å; L33-C36 PolarHBondContact O-N 2.94Å; C36-L40 PolarHBondContact O-N 3.16Å
37	L	74.4	Confident	66.9	Low	63 Å²	63	84 Å²	84	33%	0.33	44%	0.444	S	S	.	.	H	α-helix	trans	-69.1	-41.6	175.8	-71.4	169.6	0	0	0	112	L33 A34 D35 R39 L40 N41 P310	L33-L37 HydrophobicContact CD1-CD1 4.45Å; L33-L37 HydrophobicContact CD1-CG 4.42Å; L33-L37 HydrophobicContact CG-CD1 4.17Å; L33-L37 WeakPolarHBondContact O-CB 2.93Å; L33-L37 VanDerWaalsContact O-CG 3.31Å; L33-L37 WeakPolarHBondContact O-CG 3.43Å; L33-L37 PolarHBondContact O-N 3.38Å; A34-L37 PolarHBondContact O-N 2.78Å; D35-L37 VanDerWaalsContact C-N 3.31Å; D35-L37 PolarHBondContact O-N 2.67Å; L37-R39 PolarHBondContact O-N 2.84Å; L37-L40 WeakPolarHBondContact O-CB 3.32Å; L37-L40 PolarHBondContact O-N 3.39Å; L37-N41 PolarHBondContact O-N 3.34Å; L37-P310 HydrophobicContact CD1-CB 4.32Å
38	R	68	Low	66.4	Low	44 Å²	44	85.5 Å²	85.5	17%	0.166	46%	0.462	C	S	.	.	H	α-helix	trans	-60.5	-43.7	173	-74.8	-169.2	-76.3	-124.2	7.9	111.5	A34 D35 L40 N41 L42 H464 D977	A34-R38 WeakPolarHBondContact O-CG 3.37Å; A34-R38 PolarHBondContact O-N 2.78Å; D35-R38 PolarHBondContact O-N 2.69Å; R38-L40 PolarHBondContact O-N 2.67Å; R38-N41 PolarHBondContact O-N 2.83Å; R38-L42 WeakPolarHBondContact O-CG 3.29Å; R38-L42 PolarHBondContact O-N 3.47Å; R38-H464 PolarHBondContact NH2-NE2 3.03Å; R38-D977 IonicContact CZ-OD2 2.72Å; R38-D977 IonicContact NH1-OD2 3.54Å; R38-D977 PolarHBondContact NH1-OD2 3.4Å
39	R	71.7	Confident	65.5	Low	135 Å²	135	86.9 Å²	86.9	51%	0.509	47%	0.468	S	S	.	.	H	α-helix	trans	-62.1	-38.7	174.7	-68.7	173.2	-168.2	-149.9	6.5	112.6	D35 L37 L43	D35-R39 WeakPolarHBondContact O-CB 3.43Å; D35-R39 VanDerWaalsContact O-CG 3.29Å; D35-R39 WeakPolarHBondContact O-CG 3.32Å; D35-R39 PolarHBondContact O-N 3.21Å; D35-R39 IonicContact OD1-CZ 2.69Å; D35-R39 IonicContact OD1-NE 2.83Å; D35-R39 PolarHBondContact OD1-NE 3.05Å; D35-R39 IonicContact OD1-NH2 2.69Å; D35-R39 PolarHBondContact OD1-NH2 3.02Å; D35-R39 IonicContact OD2-CZ 2.7Å; D35-R39 IonicContact OD2-NE 2.67Å; D35-R39 PolarHBondContact OD2-NE 3.06Å; D35-R39 IonicContact OD2-NH2 2.67Å; D35-R39 PolarHBondContact OD2-NH2 3.3Å; L37-R39 PolarHBondContact O-N 2.84Å; R39-L43 VanDerWaalsContact O-CG 3.3Å; R39-L43 WeakPolarHBondContact O-CG 3.47Å; R39-L43 PolarHBondContact O-N 3.29Å
40	L	73	Confident	64	Low	91 Å²	91	88.1 Å²	88.1	48%	0.476	48%	0.476	S	S	.	.	H	α-helix	trans	-63.5	-49.2	173	-84	163.1	0	0	0	111.8	C36 L37 R38 L42 L43 E44	C36-L40 PolarHBondContact O-N 3.16Å; L37-L40 WeakPolarHBondContact O-CB 3.32Å; L37-L40 PolarHBondContact O-N 3.39Å; R38-L40 PolarHBondContact O-N 2.67Å; L40-L42 VanDerWaalsContact C-N 3.28Å; L40-L42 PolarHBondContact O-N 3.24Å; L40-L43 WeakPolarHBondContact O-CB 3.49Å; L40-L43 PolarHBondContact O-N 3.44Å; L40-E44 PolarHBondContact O-N 3.36Å
41	N	68.4	Low	62.9	Low	84 Å²	84	88.1 Å²	88.1	45%	0.449	49%	0.488	S	S	.	.	H	α-helix	trans	-59.1	-38.1	178	-70.9	-6.5	0	0	0	112.3	L37 R38 S45	L37-N41 PolarHBondContact O-N 3.34Å; R38-N41 PolarHBondContact O-N 2.83Å; N41-S45 WeakPolarHBondContact O-CB 3.33Å; N41-S45 PolarHBondContact O-N 3.13Å; N41-S45 PolarHBondContact O-OG 3.22Å
42	L	69.3	Low	61.5	Low	110 Å²	110	92.6 Å²	92.6	58%	0.576	51%	0.514	S	S	*	.	H	α-helix	trans	-65.5	-41.2	174	-72.2	169.8	0	0	0	112.2	R38 L40 A46	R38-L42 WeakPolarHBondContact O-CG 3.29Å; R38-L42 PolarHBondContact O-N 3.47Å; L40-L42 VanDerWaalsContact C-N 3.28Å; L40-L42 PolarHBondContact O-N 3.24Å; L42-A46 WeakPolarHBondContact O-CB 3.28Å; L42-A46 PolarHBondContact O-N 3.26Å
43	L	68.4	Low	59.6	Low	110 Å²	110	99.2 Å²	99.2	58%	0.576	53%	0.534	S	S	*	.	H	α-helix	trans	-68.1	-36.2	176.3	-73.7	168.6	0	0	0	112.7	R39 L40 R47	R39-L43 VanDerWaalsContact O-CG 3.3Å; R39-L43 WeakPolarHBondContact O-CG 3.47Å; R39-L43 PolarHBondContact O-N 3.29Å; L40-L43 WeakPolarHBondContact O-CB 3.49Å; L40-L43 PolarHBondContact O-N 3.44Å; L43-R47 WeakPolarHBondContact O-CG 3.27Å; L43-R47 PolarHBondContact O-N 3.12Å; L43-R47 VanDerWaalsContact O-N 3.16Å
44	E	72	Confident	57.7	Low	126 Å²	126	101 Å²	101	59%	0.589	55%	0.55	S	S	*	.	H	α-helix	trans	-70.3	-41.6	174.9	-69.1	-172.1	171.8	0	0	111.4	L40 A46 R47 G48	L40-E44 PolarHBondContact O-N 3.36Å; E44-A46 VanDerWaalsContact C-N 3.33Å; E44-A46 PolarHBondContact O-N 2.92Å; E44-R47 WeakPolarHBondContact O-CB 3.12Å; E44-R47 PolarHBondContact O-N 2.95Å; E44-G48 PolarHBondContact O-N 3.12Å
45	S	62.6	Low	56.1	Low	77 Å²	77	108 Å²	108	54%	0.538	58%	0.584	S	S	.	*	H	α-helix	trans	-62.1	-37.8	173.7	-58.6	0	0	0	0	112.6	N41 R47 G48 T49	N41-S45 WeakPolarHBondContact O-CB 3.33Å; N41-S45 PolarHBondContact O-N 3.13Å; N41-S45 PolarHBondContact O-OG 3.22Å; S45-R47 VanDerWaalsContact C-N 3.3Å; S45-R47 PolarHBondContact O-N 3.21Å; S45-G48 PolarHBondContact O-N 2.54Å; S45-T49 PolarHBondContact O-N 2.97Å; S45-T49 PolarHBondContact O-OG1 3Å
46	A	60.9	Low	54.7	Low	52 Å²	52	112.3 Å²	112.3	43%	0.43	62%	0.617	S	S	.	*	H	α-helix	trans	-69.5	-23.3	173.6	0	0	0	0	0	113.7	L42 E44 T49 N50	L42-A46 WeakPolarHBondContact O-CB 3.28Å; L42-A46 PolarHBondContact O-N 3.26Å; E44-A46 VanDerWaalsContact C-N 3.33Å; E44-A46 PolarHBondContact O-N 2.92Å; A46-T49 PolarHBondContact O-OG1 2.82Å; A46-N50 PolarHBondContact O-ND2 3.06Å; A46-N50 VanDerWaalsContact O-ND2 3.13Å
47	R	56.7	Low	52.8	Low	197 Å²	197	120.5 Å²	120.5	74%	0.743	64%	0.638	S	S	*	*	H	α-helix	trans	-80.7	-41.4	172.8	-75.4	173.6	175.1	-170.4	-0.9	112	L43 E44 S45 T49 N50	L43-R47 WeakPolarHBondContact O-CG 3.27Å; L43-R47 PolarHBondContact O-N 3.12Å; L43-R47 VanDerWaalsContact O-N 3.16Å; E44-R47 WeakPolarHBondContact O-CB 3.12Å; E44-R47 PolarHBondContact O-N 2.95Å; S45-R47 VanDerWaalsContact C-N 3.3Å; S45-R47 PolarHBondContact O-N 3.21Å; R47-T49 PolarHBondContact O-N 3.11Å; R47-N50 PolarHBondContact O-N 3.22Å
48	G	47.9	Very low	51	Low	60 Å²	60	124.3 Å²	124.3	62%	0.619	66%	0.664	S	S	*	*	H	α-helix	trans	-60.2	-27.4	178.5	0	0	0	0	0	114.2	E44 S45 N50	E44-G48 PolarHBondContact O-N 3.12Å; S45-G48 PolarHBondContact O-N 2.54Å; G48-N50 PolarHBondContact O-N 3.45Å
49	T	44.8	Very low	49.2	Very low	113 Å²	113	130.1 Å²	130.1	69%	0.693	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	1.1	-176	39.8	0	0	0	0	115.4	S45 A46 R47	S45-T49 PolarHBondContact O-N 2.97Å; S45-T49 PolarHBondContact O-OG1 3Å; A46-T49 PolarHBondContact O-OG1 2.82Å; R47-T49 PolarHBondContact O-N 3.11Å
50	N	39.6	Very low	47.4	Very low	140 Å²	140	129 Å²	129	75%	0.749	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	7.6	-176.7	-83.4	-72.7	0	0	0	115.7	A46 R47 G48	A46-N50 PolarHBondContact O-ND2 3.06Å; A46-N50 VanDerWaalsContact O-ND2 3.13Å; R47-N50 PolarHBondContact O-N 3.22Å; G48-N50 PolarHBondContact O-N 3.45Å
51	V	37.7	Very low	45.5	Very low	119 Å²	119	129.5 Å²	129.5	72%	0.721	72%	0.722	S	S	*	*			trans	-123.5	72.6	-175	-169.7	0	0	0	0	112.4
52	T	31.7	Very low	43.9	Very low	139 Å²	139	136.1 Å²	136.1	85%	0.853	74%	0.743	S	S	*	*			trans	-168.2	46	162.3	10.2	0	0	0	0	114.5
53	K	30.6	Very low	42.3	Very low	206 Å²	206	135.2 Å²	135.2	90%	0.896	75%	0.746	S	S	*	*			trans	-139.3	60.6	172.6	-75.7	-169.6	178.6	165.2	0	114.9
54	T	34.4	Very low	40.9	Very low	140 Å²	140	134.8 Å²	134.8	86%	0.859	75%	0.751	S	S	*	*	S	Bend	trans	-135.9	131.2	165.4	28.5	0	0	0	0	111.1
55	N	32.7	Very low	39.2	Very low	167 Å²	167	138.6 Å²	138.6	89%	0.893	76%	0.76	S	S	*	*			trans	-58.7	131.5	-164.5	-57.6	-43	0	0	0	115.3
56	S	31.7	Very low	38	Very low	118 Å²	118	144 Å²	144	83%	0.825	77%	0.769	S	S	*	*			trans	-102.4	95	153.8	47.9	0	0	0	0	110.3
57	R	31.7	Very low	37	Very low	239 Å²	239	148.3 Å²	148.3	90%	0.902	78%	0.78	S	S	*	*			trans	-143.6	108.5	161.8	-77.4	-164.3	174.6	179.1	-2.1	110
58	T	37.5	Very low	36.2	Very low	144 Å²	144	144 Å²	144	88%	0.883	78%	0.776	S	S	*	*			trans	-90.1	145.2	163.7	36.9	0	0	0	0	109.7
59	D	29.5	Very low	35.8	Very low	165 Å²	165	148 Å²	148	88%	0.882	78%	0.783	S	S	*	*			trans	-76.2	149.7	-175.1	-78.4	-61.8	0	0	0	114.4
60	S	35	Very low	35.4	Very low	112 Å²	112	146.5 Å²	146.5	78%	0.783	78%	0.777	S	S	*	*			trans	-149.8	88.1	148.2	41.7	0	0	0	0	111.6
61	S	33	Very low	35.3	Very low	101 Å²	101	150.3 Å²	150.3	71%	0.706	78%	0.781	S	S	*	*			trans	26.6	122.9	147.6	62.1	0	0	0	0	121.1
62	Y	34.5	Very low	35.2	Very low	224 Å²	224	152.1 Å²	152.1	88%	0.878	79%	0.786	S	S	*	*				-164.9	143.5	110.4	-133.6	-116.9	0	0	0	115.8
63	S	35.7	Very low	35.8	Very low	91 Å²	91	150.5 Å²	150.5	64%	0.636	78%	0.778	S	S	*	*			trans	55	110.9	149.8	-166.3	0	0	0	0	123.2
64	S	38	Very low	36	Very low	100 Å²	100	147 Å²	147	70%	0.699	77%	0.774	S	S	*	*				113	106.6	121.7	68.8	0	0	0	0	123.1
65	R	36.8	Very low	36.1	Very low	206 Å²	206	144.7 Å²	144.7	78%	0.777	76%	0.764	S	S	*	*				73.7	111.4	128.2	-70.2	-176.6	175.1	-175.1	0.8	121.9
66	R	38.2	Very low	36.4	Very low	190 Å²	190	143.6 Å²	143.6	72%	0.717	76%	0.764	S	S	*	*				77.1	144.2	125.9	-63.6	178.4	167.3	-174.8	-2.7	117.9
67	H	40.1	Very low	36.6	Very low	144 Å²	144	141.4 Å²	141.4	67%	0.667	76%	0.76	S	S	*	*			cis	-154.7	149.9	-6.3	-118.4	-60.4	0	0	0	111.4
68	T	39.5	Very low	37	Very low	106 Å²	106	139.5 Å²	139.5	65%	0.65	76%	0.761	S	S	*	*			trans	-3.5	151.3	143.2	53.5	0	0	0	0	118.7
69	N	38.9	Very low	36.8	Very low	143 Å²	143	141.6 Å²	141.6	77%	0.765	76%	0.761	S	S	*	*			cis	-176.4	177.6	31.5	-125.9	-16.3	0	0	0	109.2
70	S	37.6	Very low	37.2	Very low	82 Å²	82	138.8 Å²	138.8	57%	0.573	75%	0.754	S	S	*	*			cis	-170.1	168.4	-14.2	-134.9	0	0	0	0	112.5
71	R	36.6	Very low	37.3	Very low	220 Å²	220	141.6 Å²	141.6	83%	0.83	75%	0.752	S	S	*	*			trans	60.1	113.1	144.6	-77.9	175.2	-178.6	178	1.3	124.8
72	N	35.1	Very low	37.4	Very low	157 Å²	157	144.2 Å²	144.2	84%	0.84	76%	0.758	S	S	*	*				76.2	161.3	115.8	-82.1	30.3	0	0	0	123.5
73	P	43.9	Very low	37.6	Very low	105 Å²	105	138 Å²	138	68%	0.682	75%	0.748	S	S	*	*			trans	-125.5	-178.6	-145.1	45.8	-35.2	0	0	0	116.1
74	T	36	Very low	37.8	Very low	132 Å²	132	144 Å²	144	81%	0.81	76%	0.756	S	S	*	*			trans	-177.2	157.8	132.8	30.8	0	0	0	0	115.6
75	S	36.9	Very low	37.8	Very low	93 Å²	93	145.2 Å²	145.2	65%	0.65	76%	0.755	S	S	*	*			trans	71.4	123.2	138.2	62.6	0	0	0	0	125.7
76	T	37.9	Very low	37.7	Very low	144 Å²	144	140.8 Å²	140.8	88%	0.883	76%	0.755	S	S	*	*			trans	69.6	137.9	133.6	55	0	0	0	0	123.2
77	G	36.3	Very low	37.5	Very low	72 Å²	72	136.3 Å²	136.3	74%	0.742	75%	0.753	S	S	*	*			trans	174.8	59.3	169.7	0	0	0	0	0	120.7
78	H	40.1	Very low	37.1	Very low	198 Å²	198	137.6 Å²	137.6	92%	0.917	76%	0.764	S	S	*	*			trans	67	167.7	157.2	-75.4	-80.9	0	0	0	123
79	Q	32.5	Very low	36.8	Very low	189 Å²	189	138.7 Å²	138.7	88%	0.883	77%	0.77	S	S	*	*			trans	-132	158.3	-169	-52.7	165.2	-18.8	0	0	110.6
80	S	38.4	Very low	36.7	Very low	105 Å²	105	138.3 Å²	138.3	73%	0.734	77%	0.773	S	S	*	*			trans	-170.6	113.6	142.4	-177.2	0	0	0	0	115.1
81	K	37.2	Very low	36.8	Very low	172 Å²	172	139 Å²	139	75%	0.748	78%	0.776	S	S	*	*			trans	40.9	119	136.4	-60.1	172.2	-177.5	174.5	0	119.8
82	N	35.4	Very low	36.7	Very low	155 Å²	155	137 Å²	137	83%	0.829	78%	0.775	S	S	*	*				73.9	147.2	96.6	-55.3	-4.8	0	0	0	114
83	S	38.9	Very low	36.7	Very low	95 Å²	95	133.7 Å²	133.7	66%	0.664	76%	0.764	S	S	*	*			cis	-166.7	143.8	33.2	66.9	0	0	0	0	115.3
84	R	39.2	Very low	36.2	Very low	217 Å²	217	134.5 Å²	134.5	82%	0.819	77%	0.768	S	S	*	*			trans	66.1	158.5	144.3	-62.8	-174.4	176.7	148.2	-2.8	120.9
85	D	37.4	Very low	36.2	Very low	125 Å²	125	134.4 Å²	134.4	67%	0.668	77%	0.767	S	S	*	*			cis	-168.6	153.5	-24.3	-94.8	-19.1	0	0	0	109.4
86	S	35.1	Very low	36.1	Very low	112 Å²	112	133.9 Å²	133.9	78%	0.783	77%	0.768	S	S	*	*			trans	54.9	154.9	148.5	63.9	0	0	0	0	121.3
87	S	35.2	Very low	36	Very low	97 Å²	97	132.1 Å²	132.1	68%	0.678	76%	0.762	S	S	*	*			cis	-167.5	130.1	-14.8	44	0	0	0	0	106.9
88	L	30.8	Very low	35.9	Very low	170 Å²	170	134.7 Å²	134.7	89%	0.89	76%	0.763	S	S	*	*				47.4	98	83.5	-79.8	174.3	0	0	0	116.1
89	V	33.6	Very low	35.6	Very low	129 Å²	129	131.7 Å²	131.7	78%	0.782	76%	0.759	S	S	*	*			trans	-148.8	130.2	142.7	176.2	0	0	0	0	109.7
90	V	35.6	Very low	35.7	Very low	135 Å²	135	127.4 Å²	127.4	82%	0.818	76%	0.756	S	S	*	*			trans	-144	130.8	161.3	175.8	0	0	0	0	108.8
91	P	40	Very low	35.3	Very low	98 Å²	98	134.3 Å²	134.3	64%	0.636	77%	0.766	S	S	*	*			trans	-120.2	147.5	144.6	3.4	19.8	0	0	0	109.6
92	H	34.8	Very low	35.2	Very low	177 Å²	177	133 Å²	133	82%	0.819	77%	0.773	S	S	*	*				58.4	134.7	65.8	-66.2	-29.6	0	0	0	113.6
93	S	35.3	Very low	34.9	Very low	87 Å²	87	137 Å²	137	61%	0.608	78%	0.776	S	S	*	*			cis	-173.9	166.7	-4.4	51.6	0	0	0	0	111.3
94	T	34.2	Very low	34.7	Very low	123 Å²	123	140.2 Å²	140.2	76%	0.755	79%	0.785	S	S	*	*			trans	64.1	151.3	149.3	47.4	0	0	0	0	118.3
95	T	34.6	Very low	34.3	Very low	129 Å²	129	139 Å²	139	79%	0.791	79%	0.785	S	S	*	*			cis	-160	175	5.9	-4.2	0	0	0	0	111.9
96	A	36.2	Very low	33.8	Very low	83 Å²	83	137.1 Å²	137.1	69%	0.686	78%	0.782	S	S	*	*			trans	89.9	113.5	147.4	0	0	0	0	0	121.2
97	S	34.5	Very low	33.9	Very low	107 Å²	107	138.2 Å²	138.2	75%	0.748	79%	0.787	S	S	*	*			trans	35.3	136.1	133.9	61.5	0	0	0	0	120.9
98	T	34.9	Very low	33.8	Very low	126 Å²	126	141.4 Å²	141.4	77%	0.773	79%	0.791	S	S	*	*				-155.9	154.6	50.8	-56.9	0	0	0	0	113.4
99	T	32.8	Very low	33.7	Very low	135 Å²	135	138.7 Å²	138.7	83%	0.828	79%	0.786	S	S	*	*			trans	-68.9	136.8	176.8	46.9	0	0	0	0	115.1
100	A	35.1	Very low	33.5	Very low	99 Å²	99	138.5 Å²	138.5	82%	0.818	79%	0.785	S	S	*	*			trans	-142.2	130.8	148.4	0	0	0	0	0	109.8
101	R	31	Very low	33.2	Very low	250 Å²	250	143.1 Å²	143.1	94%	0.943	79%	0.788	S	S	*	*			trans	-107.1	126.2	175.9	-78.7	177	169.4	169.2	-3.7	109.9
102	T	35.2	Very low	32.7	Very low	144 Å²	144	146.4 Å²	146.4	88%	0.883	80%	0.799	S	S	*	*			trans	-126.1	106.7	169.2	29	0	0	0	0	110.8
103	R	29	Very low	32.4	Very low	240 Å²	240	143.3 Å²	143.3	91%	0.906	80%	0.797	S	S	*	*			trans	-94.7	115.6	168.6	-87.9	-178.6	164	-170.6	-4.1	109.8
104	L	33.5	Very low	32.3	Very low	162 Å²	162	144.4 Å²	144.4	85%	0.848	81%	0.805	S	S	*	*			trans	-133.6	96.2	157.1	-73.8	171.7	0	0	0	106.7
105	K	31.8	Very low	32.1	Very low	190 Å²	190	143.5 Å²	143.5	83%	0.826	80%	0.803	S	S	*	*				83.1	107.6	74.9	-82.9	-167.2	177	-176.2	0	112.4
106	S	26.9	Very low	31.8	Very low	86 Å²	86	142.3 Å²	142.3	60%	0.601	80%	0.8	S	S	*	*			trans	-67.2	153.7	162.1	52.1	0	0	0	0	112.3	Q108	S106-Q108 PolarHBondContact O-N 3.16Å; S106-Q108 VanDerWaalsContact O-N 3.09Å
107	P	37.7	Very low	31.7	Very low	135 Å²	135	145.1 Å²	145.1	88%	0.877	81%	0.81	S	S	*	*			trans	-74.8	87.8	156.5	32.3	-31.2	0	0	0	109.5
108	Q	31.9	Very low	31.5	Very low	165 Å²	165	145.4 Å²	145.4	77%	0.771	81%	0.807	S	S	*	*			trans	-75.1	157	164.4	-94.1	-173.4	-25.5	0	0	110.7	S106	S106-Q108 PolarHBondContact O-N 3.16Å; S106-Q108 VanDerWaalsContact O-N 3.09Å
109	S	28.5	Very low	31.4	Very low	113 Å²	113	146 Å²	146	79%	0.79	81%	0.805	S	S	*	*			trans	-55.7	133.6	-178.5	57.5	0	0	0	0	113.7
110	V	30.9	Very low	31.4	Very low	125 Å²	125	146.1 Å²	146.1	76%	0.758	80%	0.8	S	S	*	*			trans	-98.6	103.4	159.9	-179.8	0	0	0	0	108.7	L112	V110-L112 HydrophobicContact CG1-CD1 4.28Å; V110-L112 HydrophobicContact CG1-CG 4.07Å
111	R	27.4	Very low	31.3	Very low	232 Å²	232	147.1 Å²	147.1	88%	0.875	79%	0.792	S	S	*	*			trans	-82.8	120.2	153.8	-81.1	-177.3	173.3	176.1	-2.4	107.5
112	L	31.4	Very low	31.4	Very low	166 Å²	166	143.8 Å²	143.8	87%	0.869	79%	0.787	S	S	*	*			trans	-133.4	124.3	155.7	-80.4	177.8	0	0	0	108.8	V110	V110-L112 HydrophobicContact CG1-CD1 4.28Å; V110-L112 HydrophobicContact CG1-CG 4.07Å
113	S	27.8	Very low	31.2	Very low	113 Å²	113	139.8 Å²	139.8	79%	0.79	77%	0.774	S	S	*	*			trans	-131.1	116.7	-175	54.1	0	0	0	0	109.5
114	S	32.2	Very low	31.4	Very low	110 Å²	110	135.6 Å²	135.6	77%	0.769	78%	0.775	S	S	*	*			trans	-162.4	105.1	166.2	54.6	0	0	0	0	112.3
115	S	31	Very low	31.4	Very low	103 Å²	103	130.9 Å²	130.9	72%	0.72	77%	0.765	S	S	*	*			trans	36	108.3	138.7	56.7	0	0	0	0	119.9
116	S	28	Very low	31.5	Very low	104 Å²	104	128.7 Å²	128.7	73%	0.727	77%	0.768	S	S	*	*				10.8	133.2	123.9	57.1	0	0	0	0	119.3
117	T	33.7	Very low	31.7	Very low	143 Å²	143	130.2 Å²	130.2	88%	0.877	78%	0.779	S	S	*	*				-151.5	134.3	125	-69.8	0	0	0	0	111.1
118	T	30.4	Very low	31.5	Very low	113 Å²	113	127.7 Å²	127.7	69%	0.693	78%	0.777	S	S	*	*			trans	-66.9	144.6	-179.5	-23.8	0	0	0	0	114.3
119	L	32.6	Very low	31.5	Very low	138 Å²	138	124 Å²	124	72%	0.723	78%	0.775	S	S	*	*				157.5	136.1	113.3	-89.7	154.6	0	0	0	115.6
120	N	34	Very low	31.6	Very low	138 Å²	138	124.4 Å²	124.4	74%	0.738	77%	0.773	S	S	*	*			trans	61.8	164.3	144.9	-72	-9.6	0	0	0	122.3
121	N	33	Very low	31.6	Very low	119 Å²	119	125 Å²	125	64%	0.636	77%	0.772	S	S	*	*				-171.2	144.4	-50.4	-150.9	-11.9	0	0	0	108
122	Q	32.2	Very low	31.7	Very low	180 Å²	180	122.1 Å²	122.1	84%	0.841	77%	0.768	S	S	*	*			trans	62.1	151.2	169.3	-58	162.8	16.3	0	0	115.6
123	G	32.2	Very low	31.6	Very low	60 Å²	60	120.1 Å²	120.1	62%	0.619	76%	0.763	S	S	*	*			cis	162.7	159.1	-9	0	0	0	0	0	111.7
124	V	32.8	Very low	31.7	Very low	152 Å²	152	124.8 Å²	124.8	92%	0.921	76%	0.763	S	S	*	*			trans	67.7	138.7	174.8	-165	0	0	0	0	114.3
125	G	32.3	Very low	31.6	Very low	63 Å²	63	129.8 Å²	129.8	65%	0.649	77%	0.765	S	S	*	*			cis	152.6	-164.3	-5.1	0	0	0	0	0	111.8
126	V	34.5	Very low	31.7	Very low	145 Å²	145	131.4 Å²	131.4	88%	0.879	77%	0.766	S	S	*	*			trans	79.8	133	174.4	-169.4	0	0	0	0	116.6
127	S	31.7	Very low	31.9	Very low	118 Å²	118	136.5 Å²	136.5	83%	0.825	77%	0.769	S	S	*	*			trans	-99.1	156.9	-177.6	52.2	0	0	0	0	113.3
128	G	33.8	Very low	32.1	Very low	81 Å²	81	136.8 Å²	136.8	84%	0.835	76%	0.764	S	S	*	*			trans	-153	140.2	166.6	0	0	0	0	0	111.1
129	A	31.2	Very low	32.3	Very low	89 Å²	89	136.7 Å²	136.7	74%	0.736	76%	0.763	S	S	*	*			trans	-118.5	173.4	-164.1	0	0	0	0	0	114.9
130	T	30.5	Very low	32.5	Very low	121 Å²	121	136 Å²	136	74%	0.742	77%	0.77	S	S	*	*			trans	73.5	117	155.1	43.3	0	0	0	0	121.9
131	N	31	Very low	32.6	Very low	138 Å²	138	134 Å²	134	74%	0.738	77%	0.772	S	S	*	*				80.3	126.1	125.5	-69.9	-11.8	0	0	0	123.6
132	Q	29.4	Very low	32.8	Very low	170 Å²	170	133.7 Å²	133.7	79%	0.794	78%	0.779	S	S	*	*				82.7	102.8	129.3	-80.4	-169.8	4.4	0	0	122.7
133	T	29.2	Very low	32.9	Very low	124 Å²	124	129.5 Å²	129.5	76%	0.761	77%	0.77	S	S	*	*			trans	87	152.4	132.3	-14.1	0	0	0	0	121
134	R	29.6	Very low	33.1	Very low	212 Å²	212	134.5 Å²	134.5	80%	0.8	78%	0.777	S	S	*	*			trans	78.4	96.8	157.4	-76.6	-172.9	169.5	-167.9	-1.2	119.9
135	R	31.1	Very low	33.2	Very low	214 Å²	214	134.1 Å²	134.1	81%	0.808	77%	0.77	S	S	*	*				64.6	149.3	116.1	-86	-174.2	174.7	167.9	-1.2	120.5
136	N	33.2	Very low	33.2	Very low	138 Å²	138	141.4 Å²	141.4	74%	0.738	78%	0.778	S	S	*	*			trans	75.6	142.3	156.7	-67.1	-4.5	0	0	0	115.6
137	R	32.5	Very low	33.2	Very low	211 Å²	211	142.2 Å²	142.2	80%	0.796	77%	0.772	S	S	*	*			cis	-168.8	-179.1	-6.8	-179.7	-174.2	-122.3	-175.1	-1.3	107.6
138	I	37.8	Very low	33.2	Very low	149 Å²	149	145.9 Å²	145.9	76%	0.764	77%	0.773	S	S	*	*			trans	92.9	130.6	160.2	-54.5	173.6	0	0	0	113.8
139	T	34.1	Very low	33	Very low	110 Å²	110	148.3 Å²	148.3	68%	0.675	77%	0.767	S	S	*	*			cis	162.2	131	-44.1	41	0	0	0	0	108.6
140	S	37	Very low	32.8	Very low	125 Å²	125	150 Å²	150	87%	0.874	76%	0.764	S	S	*	*			trans	172.6	162.1	141.8	38.4	0	0	0	0	111.9
141	A	35.6	Very low	32.8	Very low	95 Å²	95	154.4 Å²	154.4	79%	0.785	77%	0.773	S	S	*	*				-169.4	125.7	-78	0	0	0	0	0	113.2
142	S	36.3	Very low	32.6	Very low	112 Å²	112	154 Å²	154	78%	0.783	77%	0.771	S	S	*	*			trans	167.2	133.6	154.7	28.6	0	0	0	0	106.5
143	S	34.8	Very low	32.4	Very low	92 Å²	92	152.6 Å²	152.6	64%	0.643	77%	0.769	S	S	*	*			cis	79	133.5	26.2	95.1	0	0	0	0	113.8
144	E	36.3	Very low	32.4	Very low	166 Å²	166	154.5 Å²	154.5	78%	0.776	77%	0.774	S	S	*	*			cis	-123.2	-178.6	0.6	-89.3	99.5	-134.9	0	0	110.6
145	D	35.8	Very low	32.2	Very low	143 Å²	143	153.1 Å²	153.1	77%	0.765	77%	0.774	S	S	*	*			cis	-147.9	-168.9	11.8	-145.6	-28.3	0	0	0	113.4
146	R	31.9	Very low	32.1	Very low	217 Å²	217	150.8 Å²	150.8	82%	0.819	77%	0.772	S	S	*	*			trans	-130.1	176.1	-163.3	-76.3	177.4	163.9	176.8	-3.6	116.2
147	Q	34.2	Very low	31.8	Very low	161 Å²	161	151.8 Å²	151.8	75%	0.752	77%	0.772	S	S	*	*			trans	100	143.3	158.8	-53.2	176.9	43.8	0	0	114.5
148	F	31.5	Very low	31.5	Very low	195 Å²	195	152.3 Å²	152.3	86%	0.855	77%	0.774	S	S	*	*			cis	-119.3	-178.9	8.4	-120.7	-86	0	0	0	113.7
149	N	29.4	Very low	30.9	Very low	132 Å²	132	151.9 Å²	151.9	71%	0.706	77%	0.774	S	S	*	*			trans	-129.1	157	-162.2	-138.6	8.5	0	0	0	113.6
150	N	28.4	Very low	30.6	Very low	126 Å²	126	153.9 Å²	153.9	67%	0.674	78%	0.78	S	S	*	*			trans	62.4	123.2	161.4	-59.5	-16.9	0	0	0	120.2
151	F	29.2	Very low	30	Very low	213 Å²	213	155.9 Å²	155.9	93%	0.934	77%	0.773	S	S	*	*				-143.6	154.7	108.1	-125	-85.1	0	0	0	111.3
152	N	27.1	Very low	29.6	Very low	130 Å²	130	157.3 Å²	157.3	70%	0.695	77%	0.772	S	S	*	*			trans	-96.5	159.2	-168.3	-100	-24.5	0	0	0	113.7
153	N	26.6	Very low	29.3	Very low	140 Å²	140	158.3 Å²	158.3	75%	0.749	77%	0.768	S	S	*	*			trans	54.6	105	153.2	-61.2	-17.3	0	0	0	118.2
154	N	28.8	Very low	29.1	Very low	163 Å²	163	156.1 Å²	156.1	87%	0.872	75%	0.753	S	S	*	*				-148.8	133.4	113.5	-102.8	-32.3	0	0	0	110.9
155	K	25.8	Very low	28.9	Very low	183 Å²	183	152.9 Å²	152.9	80%	0.796	74%	0.739	S	S	*	*			trans	-74.5	124	165.5	-81.9	-171.6	170.1	-164.2	0	108.1
156	H	28.1	Very low	28.8	Very low	165 Å²	165	153.7 Å²	153.7	76%	0.764	73%	0.732	S	S	*	*			trans	-140.1	110	148.7	-104	-70	0	0	0	107.8	R158	H156-R158 PolarHBondContact O-N 3.3Å
157	E	26	Very low	29	Very low	159 Å²	159	147.1 Å²	147.1	74%	0.743	71%	0.711	S	S	*	*			trans	-56.2	123	155.3	-74.8	130	140.7	0	0	107.6
158	R	27.1	Very low	29.1	Very low	222 Å²	222	145.4 Å²	145.4	84%	0.838	70%	0.699	S	S	*	*			trans	-112.4	107.4	159.1	-69.7	-168.9	-172.9	-175.3	4.2	105.7	H156 N160	H156-R158 PolarHBondContact O-N 3.3Å; R158-N160 PolarHBondContact O-N 2.92Å
159	D	25.8	Very low	29.4	Very low	140 Å²	140	137.4 Å²	137.4	75%	0.749	66%	0.664	S	S	*	*			trans	-64.5	102.7	171.5	-62.7	-49.3	0	0	0	108.2	K161	D159-K161 HydrophobicContact CB-CG 4.48Å; D159-K161 PolarHBondContact O-N 3.34Å
160	N	26.5	Very low	29.7	Very low	152 Å²	152	136.5 Å²	136.5	81%	0.813	66%	0.66	S	S	*	*			trans	-67.7	80.3	159.7	-85	7.6	0	0	0	107.3	R158 T162	R158-N160 PolarHBondContact O-N 2.92Å; N160-T162 PolarHBondContact O-N 2.89Å
161	K	25.6	Very low	29.8	Very low	168 Å²	168	135.3 Å²	135.3	73%	0.73	65%	0.651	S	S	*	*			trans	-60.5	88.7	166.2	-83.3	-163.3	167.5	-157.2	0	108.3	D159 L163	D159-K161 HydrophobicContact CB-CG 4.48Å; D159-K161 PolarHBondContact O-N 3.34Å; K161-L163 PolarHBondContact O-N 2.89Å
162	T	26.6	Very low	30.1	Very low	125 Å²	125	128.2 Å²	128.2	77%	0.767	62%	0.622	S	S	*	*			trans	-61.8	107.7	158.7	-52.3	0	0	0	0	105.2	N160 S164	N160-T162 PolarHBondContact O-N 2.89Å; T162-S164 PolarHBondContact O-N 3.13Å
163	L	29.1	Very low	30.5	Very low	132 Å²	132	125.8 Å²	125.8	69%	0.691	61%	0.608	S	S	*	*			trans	-52.2	117.6	173.4	-88.1	162.9	0	0	0	107.5	K161 E167	K161-L163 PolarHBondContact O-N 2.89Å; L163-E167 HydrophobicContact CD2-CB 3.71Å; L163-E167 HydrophobicContact CD2-CG 4.33Å
164	S	30.8	Very low	30.8	Very low	46 Å²	46	122.9 Å²	122.9	32%	0.322	60%	0.599	S	S	.	*			trans	-67.5	150.6	178.3	65.4	0	0	0	0	108.9	T162 Y166 E167	T162-S164 PolarHBondContact O-N 3.13Å; S164-Y166 PolarHBondContact O-N 2.89Å; S164-E167 WeakPolarHBondContact CB-OE2 3.29Å; S164-E167 PolarHBondContact N-OE2 2.82Å; S164-E167 PolarHBondContact O-N 2.95Å; S164-E167 PolarHBondContact OG-OE2 3.09Å
165	M	32.4	Very low	30.9	Very low	98 Å²	98	124 Å²	124	48%	0.483	59%	0.59	S	S	.	*	H	α-helix	trans	-60.9	-17.2	178.6	-164.6	154.7	62.1	0	0	112.3	N169	M165-N169 WeakPolarHBondContact O-CB 3.38Å; M165-N169 PolarHBondContact O-N 2.94Å; M165-N169 PolarHBondContact O-ND2 3.44Å; M165-N169 VanDerWaalsContact O-ND2 3.11Å
166	Y	33.2	Very low	31.1	Very low	161 Å²	161	121.8 Å²	121.8	63%	0.631	58%	0.583	S	S	*	*	H	α-helix	trans	-66.9	-45.4	169.1	-61.8	-80.8	0	0	0	113	S164 Y168 N169 D170	S164-Y166 PolarHBondContact O-N 2.89Å; Y166-Y168 VanDerWaalsContact C-N 3.28Å; Y166-Y168 PolarHBondContact O-N 3.22Å; Y166-N169 PolarHBondContact O-N 2.76Å; Y166-N169 VanDerWaalsContact O-N 3.11Å; Y166-D170 PolarHBondContact O-N 2.85Å
167	E	37.4	Very low	31.2	Very low	79 Å²	79	118.4 Å²	118.4	37%	0.369	58%	0.578	S	S	.	*	H	α-helix	trans	-66.9	-27.9	-178.5	-72.1	158.3	113.1	0	0	112.6	L163 S164	L163-E167 HydrophobicContact CD2-CB 3.71Å; L163-E167 HydrophobicContact CD2-CG 4.33Å; S164-E167 WeakPolarHBondContact CB-OE2 3.29Å; S164-E167 PolarHBondContact N-OE2 2.82Å; S164-E167 PolarHBondContact O-N 2.95Å; S164-E167 PolarHBondContact OG-OE2 3.09Å
168	Y	36.3	Very low	31.3	Very low	125 Å²	125	118.2 Å²	118.2	49%	0.49	58%	0.577	S	S	.	*	H	α-helix	trans	-73.8	-42	170.2	-170.3	-100.6	0	0	0	111.9	Y166 M171 I172	Y166-Y168 VanDerWaalsContact C-N 3.28Å; Y166-Y168 PolarHBondContact O-N 3.22Å; Y168-M171 PolarHBondContact O-N 3.23Å; Y168-I172 HydrophobicContact CD1-CD1 3.99Å; Y168-I172 HydrophobicContact CE1-CD1 3.43Å; Y168-I172 VanDerWaalsContact CE1-CD1 3.43Å; Y168-I172 HydrophobicContact CE1-CG1 4.47Å; Y168-I172 PolarHBondContact O-N 3.11Å
169	N	37.4	Very low	31.2	Very low	26 Å²	26	113.3 Å²	113.3	14%	0.139	57%	0.574	C	S	.	*	H	α-helix	trans	-64.9	-39.5	177.6	-71.4	-19	0	0	0	112.2	M165 Y166 M171 I172 M173	M165-N169 WeakPolarHBondContact O-CB 3.38Å; M165-N169 PolarHBondContact O-N 2.94Å; M165-N169 PolarHBondContact O-ND2 3.44Å; M165-N169 VanDerWaalsContact O-ND2 3.11Å; Y166-N169 PolarHBondContact O-N 2.76Å; Y166-N169 VanDerWaalsContact O-N 3.11Å; N169-M171 VanDerWaalsContact C-N 3.26Å; N169-M171 PolarHBondContact O-N 3.45Å; N169-I172 PolarHBondContact O-N 3.36Å; N169-I172 VanDerWaalsContact O-N 3.14Å; N169-M173 WeakPolarHBondContact O-CB 3.42Å; N169-M173 VanDerWaalsContact O-CG 3.3Å; N169-M173 WeakPolarHBondContact O-CG 3.38Å; N169-M173 PolarHBondContact O-N 2.88Å
170	D	34.6	Very low	31.4	Very low	113 Å²	113	112 Å²	112	60%	0.604	57%	0.566	S	S	*	*	H	α-helix	trans	-58.4	-38.4	174.1	-80.4	-20.4	0	0	0	111.6	Y166 I172 S174	Y166-D170 PolarHBondContact O-N 2.85Å; D170-I172 VanDerWaalsContact C-N 3.32Å; D170-I172 PolarHBondContact O-N 2.93Å; D170-S174 WeakPolarHBondContact O-CB 3.47Å; D170-S174 PolarHBondContact O-N 3.05Å; D170-S174 PolarHBondContact O-OG 2.92Å
171	M	31.8	Very low	31.3	Very low	102 Å²	102	110.8 Å²	110.8	50%	0.502	56%	0.564	S	S	.	*	H	α-helix	trans	-71.9	-21.9	178.8	-165.2	179.2	66.6	0	0	113.9	Y168 N169	Y168-M171 PolarHBondContact O-N 3.23Å; N169-M171 VanDerWaalsContact C-N 3.26Å; N169-M171 PolarHBondContact O-N 3.45Å
172	I	35.1	Very low	31.5	Very low	63 Å²	63	112.2 Å²	112.2	32%	0.323	57%	0.566	S	S	.	*	H	α-helix	trans	-91.3	-45.4	175.3	-67.4	-178.2	0	0	0	110.9	Y168 N169 D170 R175	Y168-I172 HydrophobicContact CD1-CD1 3.99Å; Y168-I172 HydrophobicContact CE1-CD1 3.43Å; Y168-I172 VanDerWaalsContact CE1-CD1 3.43Å; Y168-I172 HydrophobicContact CE1-CG1 4.47Å; Y168-I172 PolarHBondContact O-N 3.11Å; N169-I172 PolarHBondContact O-N 3.36Å; N169-I172 VanDerWaalsContact O-N 3.14Å; D170-I172 VanDerWaalsContact C-N 3.32Å; D170-I172 PolarHBondContact O-N 2.93Å; I172-R175 PolarHBondContact O-N 2.84Å
173	M	34.8	Very low	31.5	Very low	80 Å²	80	115.1 Å²	115.1	39%	0.394	57%	0.571	S	S	.	*	H	α-helix	trans	-66.9	-37.5	-179.6	-66.5	-65.8	176.7	0	0	112.2	N169 R175 Q176 I751	N169-M173 WeakPolarHBondContact O-CB 3.42Å; N169-M173 VanDerWaalsContact O-CG 3.3Å; N169-M173 WeakPolarHBondContact O-CG 3.38Å; N169-M173 PolarHBondContact O-N 2.88Å; M173-R175 PolarHBondContact O-N 3.16Å; M173-R175 VanDerWaalsContact O-N 3.07Å; M173-Q176 PolarHBondContact O-N 2.83Å; M173-Q176 VanDerWaalsContact O-N 3.08Å; M173-I751 HydrophobicContact CE-CG2 3.75Å
174	S	32.8	Very low	31.4	Very low	79 Å²	79	117.6 Å²	117.6	55%	0.552	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-9	174.8	58.4	0	0	0	0	114.6	D170	D170-S174 WeakPolarHBondContact O-CB 3.47Å; D170-S174 PolarHBondContact O-N 3.05Å; D170-S174 PolarHBondContact O-OG 2.92Å
175	R	31.7	Very low	31.4	Very low	185 Å²	185	125.4 Å²	125.4	70%	0.698	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-1.2	173.9	-66	-176.8	178.3	-139.1	0.8	114.1	I172 M173	I172-R175 PolarHBondContact O-N 2.84Å; M173-R175 PolarHBondContact O-N 3.16Å; M173-R175 VanDerWaalsContact O-N 3.07Å
176	Q	31.1	Very low	31.2	Very low	137 Å²	137	126 Å²	126	64%	0.64	62%	0.621	S	S	*	*	S	Bend	trans	-102.5	9	-178.4	-63.3	-165.7	-13.1	0	0	114.3	M173	M173-Q176 PolarHBondContact O-N 2.83Å; M173-Q176 VanDerWaalsContact O-N 3.08Å
177	S	30.1	Very low	31.2	Very low	94 Å²	94	124 Å²	124	66%	0.657	63%	0.631	S	S	*	*	S	Bend	trans	-124.1	5.4	-171.6	62.6	0	0	0	0	117.1
178	E	26.7	Very low	30.7	Very low	155 Å²	155	126.1 Å²	126.1	72%	0.724	65%	0.649	S	S	*	*	S	Bend	trans	-136.8	140.7	173.5	-73	-163.6	169.3	0	0	113.4	I180	E178-I180 PolarHBondContact O-N 3.47Å; E178-I180 VanDerWaalsContact O-N 3.13Å
179	P	26.5	Very low	30.5	Very low	120 Å²	120	128.8 Å²	128.8	78%	0.779	67%	0.671	S	S	*	*			trans	-75.2	96.7	167.8	31.2	-32.1	0	0	0	109.7	T181	P179-T181 PolarHBondContact O-N 2.81Å; P179-T181 PolarHBondContact O-OG1 3Å
180	I	28.7	Very low	30	Very low	112 Å²	112	136.8 Å²	136.8	57%	0.574	71%	0.705	S	S	*	*			trans	-64.9	92.9	-170.3	-51.4	-179.5	0	0	0	112	E178 Y182	E178-I180 PolarHBondContact O-N 3.47Å; E178-I180 VanDerWaalsContact O-N 3.13Å; I180-Y182 HydrophobicContact CG2-CD2 3.62Å; I180-Y182 HydrophobicContact CG2-CE2 3.63Å; I180-Y182 HydrophobicContact CG2-CG 4.42Å; I180-Y182 PolarHBondContact O-N 2.73Å; I180-Y182 VanDerWaalsContact O-N 3.14Å
181	T	25.7	Very low	30	Very low	126 Å²	126	137.2 Å²	137.2	77%	0.773	72%	0.716	S	S	*	*			trans	-77.9	94.5	171.8	-58.1	0	0	0	0	109.2	P179 Q183	P179-T181 PolarHBondContact O-N 2.81Å; P179-T181 PolarHBondContact O-OG1 3Å; T181-Q183 PolarHBondContact O-N 2.96Å
182	Y	28.3	Very low	29.8	Very low	199 Å²	199	139 Å²	139	78%	0.78	73%	0.728	S	S	*	*			trans	-66.6	89.9	-176.9	-101	-85.1	0	0	0	113.2	I180 Q184	I180-Y182 HydrophobicContact CG2-CD2 3.62Å; I180-Y182 HydrophobicContact CG2-CE2 3.63Å; I180-Y182 HydrophobicContact CG2-CG 4.42Å; I180-Y182 PolarHBondContact O-N 2.73Å; I180-Y182 VanDerWaalsContact O-N 3.14Å; Y182-Q184 PolarHBondContact O-N 2.88Å; Y182-Q184 VanDerWaalsContact O-N 3.09Å
183	Q	26.8	Very low	29.6	Very low	186 Å²	186	143.2 Å²	143.2	87%	0.869	76%	0.757	S	S	*	*			trans	-73.2	96.2	160.7	-78.6	-153.6	-2.5	0	0	110.5	T181 K185	T181-Q183 PolarHBondContact O-N 2.96Å; Q183-K185 PolarHBondContact O-N 3.02Å; Q183-K185 VanDerWaalsContact O-N 3.12Å
184	Q	28.2	Very low	29.2	Very low	184 Å²	184	145.1 Å²	145.1	86%	0.86	78%	0.778	S	S	*	*			trans	-71.4	100.6	-178.8	-169.2	179.1	46.2	0	0	111.8	Y182	Y182-Q184 PolarHBondContact O-N 2.88Å; Y182-Q184 VanDerWaalsContact O-N 3.09Å
185	K	29.8	Very low	29	Very low	209 Å²	209	145.6 Å²	145.6	91%	0.909	78%	0.782	S	S	*	*			trans	-78.7	128.6	161.3	-92.3	-178.5	176.1	173.3	0	109.8	Q183	Q183-K185 PolarHBondContact O-N 3.02Å; Q183-K185 VanDerWaalsContact O-N 3.12Å
186	S	27.7	Very low	28.9	Very low	110 Å²	110	146.9 Å²	146.9	77%	0.769	79%	0.786	S	S	*	*			trans	-85.5	131.6	-167.3	50.7	0	0	0	0	114.3
187	S	33.3	Very low	28.6	Very low	119 Å²	119	150 Å²	150	83%	0.832	79%	0.794	S	S	*	*			trans	-135.3	141.4	140.7	61.7	0	0	0	0	107.8
188	T	28.2	Very low	28.5	Very low	124 Å²	124	154.9 Å²	154.9	76%	0.761	80%	0.799	S	S	*	*			trans	-108.4	123.5	-158.1	51.3	0	0	0	0	114.1
189	L	32.1	Very low	28.4	Very low	182 Å²	182	156.8 Å²	156.8	95%	0.953	81%	0.808	S	S	*	*			trans	-142.1	144.4	150.7	-100.9	160.3	0	0	0	108.2
190	K	27.1	Very low	28.5	Very low	193 Å²	193	155.9 Å²	155.9	84%	0.839	81%	0.811	S	S	*	*			trans	-121.8	129.6	-165.9	-66.5	177	173.5	178.7	0	112.4
191	S	34	Very low	28.6	Very low	122 Å²	122	156.2 Å²	156.2	85%	0.853	82%	0.823	S	S	*	*			trans	-158.9	159.4	139.1	56.8	0	0	0	0	109.6
192	N	26.7	Very low	28.8	Very low	141 Å²	141	157.4 Å²	157.4	75%	0.754	83%	0.83	S	S	*	*			trans	-108.3	135.7	-165.2	-56	-16.9	0	0	0	112.4
193	T	31.9	Very low	29.1	Very low	151 Å²	151	151 Å²	151	93%	0.926	83%	0.825	S	S	*	*			trans	-151.5	153.5	143.8	16.7	0	0	0	0	108.7
194	S	26.2	Very low	29.2	Very low	119 Å²	119	148 Å²	148	83%	0.832	82%	0.822	S	S	*	*			trans	-103.2	112.6	-164.5	57.2	0	0	0	0	113.9
195	S	29	Very low	29.4	Very low	90 Å²	90	145 Å²	145	63%	0.629	82%	0.821	S	S	*	*			trans	-88.9	124.5	160.6	48.5	0	0	0	0	110.5
196	R	28	Very low	29.3	Very low	211 Å²	211	138.3 Å²	138.3	80%	0.796	81%	0.812	S	S	*	*			trans	-86.2	114.1	167.3	-74.2	-172.4	-177.8	176.2	3.6	108.7	Y198	R196-Y198 HydrophobicContact CB-CE2 4.36Å
197	Y	26	Very low	29.3	Very low	204 Å²	204	143.8 Å²	143.8	80%	0.8	82%	0.817	S	S	*	*			trans	-73.8	148.1	165.1	-69.5	-98.6	0	0	0	110
198	Y	27.8	Very low	28.9	Very low	196 Å²	196	143.7 Å²	143.7	77%	0.769	81%	0.812	S	S	*	*			trans	-131	120.8	162.8	-82.4	-81	0	0	0	108.6	R196	R196-Y198 HydrophobicContact CB-CE2 4.36Å
199	E	24.8	Very low	28.8	Very low	194 Å²	194	143.1 Å²	143.1	91%	0.907	81%	0.808	S	S	*	*			trans	-81.2	138.9	169.4	-63.7	173.5	120.7	0	0	109.4
200	A	28.5	Very low	28.4	Very low	102 Å²	102	143.3 Å²	143.3	84%	0.843	80%	0.801	S	S	*	*			trans	-109.3	96.6	172.8	0	0	0	0	0	109.4
201	S	30.6	Very low	28.4	Very low	119 Å²	119	145.7 Å²	145.7	83%	0.832	81%	0.805	S	S	*	*			trans	-74.2	138	174.9	55.1	0	0	0	0	111.5
202	T	30.1	Very low	27.9	Very low	150 Å²	150	151.1 Å²	151.1	92%	0.92	81%	0.807	S	S	*	*			trans	-75.2	138.7	-179.6	42.7	0	0	0	0	112.8
203	G	33.3	Very low	27.9	Very low	66 Å²	66	149.3 Å²	149.3	68%	0.68	81%	0.805	S	S	*	*			trans	-162.4	138.5	174.6	0	0	0	0	0	111.7
204	P	30.9	Very low	27.8	Very low	122 Å²	122	146.8 Å²	146.8	79%	0.792	80%	0.799	S	S	*	*	S	Bend	trans	-85.1	164	179	35.1	-35.5	0	0	0	112.5
205	S	32.2	Very low	28	Very low	120 Å²	120	150.7 Å²	150.7	84%	0.839	80%	0.798	S	S	*	*	S	Bend	trans	66.6	124.2	-171.8	75	0	0	0	0	113.9
206	G	26.5	Very low	28.1	Very low	70 Å²	70	152.9 Å²	152.9	72%	0.722	80%	0.802	S	S	*	*			trans	-101.5	160.6	-168.9	0	0	0	0	0	114.4
207	Y	28.4	Very low	28.2	Very low	225 Å²	225	146.4 Å²	146.4	88%	0.882	80%	0.801	S	S	*	*			trans	-141.6	151.1	164.8	-90.8	-78.2	0	0	0	111.3
208	T	24	Very low	28.5	Very low	116 Å²	116	146.5 Å²	146.5	71%	0.712	81%	0.809	S	S	*	*			trans	-65	135.3	177.7	-45.2	0	0	0	0	111.8	F210	T208-F210 HydrophobicContact CG2-CE2 4.49Å
209	V	26.6	Very low	28.6	Very low	112 Å²	112	144.6 Å²	144.6	68%	0.679	81%	0.811	S	S	*	*			trans	-118.6	122.7	167.8	180	0	0	0	0	109.2
210	F	23.8	Very low	28.8	Very low	187 Å²	187	142.4 Å²	142.4	82%	0.82	81%	0.806	S	S	*	*			trans	-80.9	126.8	176.6	-67	-99.3	0	0	0	110.3	T208	T208-F210 HydrophobicContact CG2-CE2 4.49Å
211	W	26.2	Very low	28.8	Very low	242 Å²	242	144.7 Å²	144.7	92%	0.917	80%	0.804	S	S	*	*			trans	-93.7	130.3	161.9	-71.8	101.7	0	0	0	109.8
212	R	24.7	Very low	28.8	Very low	237 Å²	237	147.2 Å²	147.2	89%	0.894	81%	0.806	S	S	*	*			trans	-108.9	107.2	178.8	-167	-177.2	-162.3	-176	5.3	108.4	A214	R212-A214 PolarHBondContact O-N 2.8Å
213	S	26.7	Very low	28.7	Very low	103 Å²	103	150.8 Å²	150.8	72%	0.72	80%	0.804	S	S	*	*			trans	-56.8	134.8	171.9	-177.4	0	0	0	0	110.5
214	A	29.5	Very low	28.4	Very low	97 Å²	97	159 Å²	159	80%	0.802	82%	0.815	S	S	*	*			trans	-138.8	96.2	174.8	0	0	0	0	0	108.2	R212	R212-A214 PolarHBondContact O-N 2.8Å
215	Y	30.2	Very low	28.3	Very low	202 Å²	202	161.7 Å²	161.7	79%	0.792	82%	0.819	S	S	*	*			trans	-90.7	165.6	165.4	-109.8	-98.1	0	0	0	110.1
216	D	30.9	Very low	28.3	Very low	135 Å²	135	161.4 Å²	161.4	72%	0.722	81%	0.808	S	S	*	*			trans	68.7	114.6	172.9	-52.1	-22	0	0	0	116.2
217	G	30.7	Very low	28.4	Very low	76 Å²	76	167.5 Å²	167.5	78%	0.784	82%	0.817	S	S	*	*			trans	176.7	54.5	-177.4	0	0	0	0	0	118.4
218	E	31.9	Very low	28.6	Very low	206 Å²	206	162.2 Å²	162.2	96%	0.963	81%	0.812	S	S	*	*			trans	64.9	-178.4	159.1	-59.2	-166.3	127.5	0	0	119.8
219	L	29.8	Very low	28.8	Very low	155 Å²	155	166 Å²	166	81%	0.812	82%	0.822	S	S	*	*			trans	-126.9	176.2	-158.7	-101.6	136.1	0	0	0	112
220	D	28.7	Very low	29.3	Very low	148 Å²	148	165.9 Å²	165.9	79%	0.791	83%	0.826	S	S	*	*			trans	79	154.1	163.6	-62.1	-29	0	0	0	119.5
221	D	28.8	Very low	30	Very low	151 Å²	151	162.6 Å²	162.6	81%	0.807	82%	0.823	S	S	*	*			trans	53	89.2	177.8	-75.1	-23.3	0	0	0	119.4
222	I	30.5	Very low	30.3	Very low	171 Å²	171	157.6 Å²	157.6	88%	0.877	82%	0.822	S	S	*	*				-151.3	94.8	116.9	-87.9	137.1	0	0	0	108
223	Y	29.4	Very low	30.8	Very low	225 Å²	225	149.7 Å²	149.7	88%	0.882	81%	0.814	S	S	*	*	S	Bend	trans	-150.7	37.2	167.4	-127.3	-71.4	0	0	0	113.5
224	R	26.6	Very low	31.2	Very low	240 Å²	240	153.3 Å²	153.3	91%	0.906	82%	0.82	S	S	*	*			trans	-164.6	96.2	172.1	-111.3	166.3	-169.9	-176.5	4.5	113.7
225	M	29	Very low	31.2	Very low	177 Å²	177	156.8 Å²	156.8	87%	0.872	82%	0.819	S	S	*	*			trans	-176	137	149.8	-103.5	169.5	-152.9	0	0	107.5
226	N	31.5	Very low	31.5	Very low	114 Å²	114	155.4 Å²	155.4	61%	0.61	82%	0.82	S	S	*	*			cis	-132.9	136	17.6	-72	-76.5	0	0	0	113	C228	N226-C228 PolarHBondContact O-N 3.33Å
227	H	28.9	Very low	31.6	Very low	198 Å²	198	153.4 Å²	153.4	92%	0.917	82%	0.816	S	S	*	*			trans	-74.5	103.3	149.1	-100.2	-58.1	0	0	0	108
228	C	31.4	Very low	31.9	Very low	114 Å²	114	156.3 Å²	156.3	77%	0.77	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-81.5	125.8	164	-75.5	0	0	0	0	109.5	N226	N226-C228 PolarHBondContact O-N 3.33Å
229	Q	28.5	Very low	31.9	Very low	196 Å²	196	151 Å²	151	92%	0.916	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-73.1	133.5	178.6	-64.2	169.7	-13	0	0	110.5
230	S	37.3	Very low	32.3	Very low	110 Å²	110	149.6 Å²	149.6	77%	0.769	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-99	138.2	167.9	46.3	0	0	0	0	110.7
231	P	39.1	Very low	32.5	Very low	118 Å²	118	146.8 Å²	146.8	77%	0.766	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-77	156.3	176.8	32	-34.9	0	0	0	112
232	P	32.6	Very low	33	Very low	137 Å²	137	145 Å²	145	89%	0.89	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-85.7	145.5	-175.2	33.9	-35.5	0	0	0	113.6
233	G	34.1	Very low	33.3	Very low	71 Å²	71	141.4 Å²	141.4	73%	0.732	78%	0.783	S	S	*	*			trans	-178.1	111.7	170.1	0	0	0	0	0	114.7
234	Q	34.9	Very low	33.5	Very low	179 Å²	179	138.5 Å²	138.5	84%	0.836	78%	0.775	S	S	*	*			trans	37.7	103.4	156.9	-68.7	169.8	-11.8	0	0	118.4
235	Q	30	Very low	34	Very low	169 Å²	169	136.3 Å²	136.3	79%	0.79	77%	0.767	S	S	*	*				69.3	102.7	83.5	-74.8	-175.5	-15.7	0	0	115.1
236	H	36.8	Very low	34.3	Very low	174 Å²	174	136.9 Å²	136.9	81%	0.806	77%	0.765	S	S	*	*				-168	123.8	112.5	-103.4	-72.5	0	0	0	112
237	S	33	Very low	34.5	Very low	93 Å²	93	137.6 Å²	137.6	65%	0.65	77%	0.768	S	S	*	*			trans	7.3	144.6	136.3	55.9	0	0	0	0	119
238	V	36.5	Very low	35.1	Very low	136 Å²	136	137.6 Å²	137.6	82%	0.824	77%	0.768	S	S	*	*			cis	-138.2	159.3	43.6	-172.5	0	0	0	0	113.4
239	S	32.9	Very low	35.3	Very low	94 Å²	94	137.9 Å²	137.9	66%	0.657	77%	0.767	S	S	*	*			trans	-72	172.1	173.3	51.8	0	0	0	0	113.4
240	V	37.2	Very low	36	Very low	126 Å²	126	135.4 Å²	135.4	76%	0.764	77%	0.765	S	S	*	*				-161	105.3	76.7	160.3	0	0	0	0	107.9
241	S	33.9	Very low	36.6	Very low	90 Å²	90	134.1 Å²	134.1	63%	0.629	76%	0.761	S	S	*	*				50.8	115.5	87.8	69.3	0	0	0	0	115.6
242	S	38.8	Very low	37.4	Very low	114 Å²	114	134 Å²	134	80%	0.797	76%	0.76	S	S	*	*				164.4	167.4	77.8	49	0	0	0	0	108.8
243	S	37.5	Very low	38.8	Very low	94 Å²	94	133 Å²	133	66%	0.657	75%	0.754	S	S	*	*			cis	-166.5	133.7	-10.1	37.5	0	0	0	0	108.2
244	F	33.7	Very low	40.4	Very low	165 Å²	165	135 Å²	135	72%	0.724	75%	0.754	S	S	*	*				49.5	149.1	101.6	-71.2	-47.9	0	0	0	117.2
245	R	35.5	Very low	41.9	Very low	193 Å²	193	132 Å²	132	73%	0.728	75%	0.75	S	S	*	*			cis	-165.5	171.8	-2	-123.4	155.6	-177.3	157	-1.2	106.5
246	K	36.2	Very low	43.7	Very low	190 Å²	190	129.4 Å²	129.4	83%	0.826	75%	0.748	S	S	*	*			cis	-134	158.1	14.5	-72.5	-179.1	-179.6	172.4	0	107.9
247	N	36	Very low	45.1	Very low	128 Å²	128	126.7 Å²	126.7	68%	0.684	75%	0.745	S	S	*	*				63.7	104.6	58.8	-71.7	40.8	0	0	0	117.2
248	H	40.8	Very low	46.7	Very low	198 Å²	198	127.7 Å²	127.7	92%	0.917	75%	0.75	S	S	*	*			trans	-123.6	134.7	135.2	-107.4	-85.5	0	0	0	108
249	T	35.5	Very low	47.6	Very low	121 Å²	121	126.8 Å²	126.8	74%	0.742	75%	0.746	S	S	*	*			trans	-102.7	128.9	-174.5	45.7	0	0	0	0	111.7
250	V	44.1	Very low	48.7	Very low	143 Å²	143	127.8 Å²	127.8	87%	0.867	75%	0.751	S	S	*	*			trans	-122.8	137	164.9	-178.7	0	0	0	0	107.1
251	A	48.6	Very low	48.9	Very low	83 Å²	83	126.7 Å²	126.7	69%	0.686	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-74.5	146.5	-179.9	0	0	0	0	0	111.2
252	P	56.3	Low	49	Very low	117 Å²	117	129.8 Å²	129.8	76%	0.76	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-65.6	146.9	170.6	29.6	-34.6	0	0	0	110.5
253	P	62.6	Low	48.9	Very low	115 Å²	115	128.9 Å²	128.9	75%	0.747	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-67.1	157.3	172.6	30.3	-35.1	0	0	0	111.2
254	P	66.5	Low	48.7	Very low	113 Å²	113	130 Å²	130	73%	0.734	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-64.6	154.7	172.6	29.5	-35.6	0	0	0	111.3
255	P	68.1	Low	48.6	Very low	117 Å²	117	126.6 Å²	126.6	76%	0.76	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-62.6	149.2	173.3	28.1	-35	0	0	0	111.2
256	P	66.2	Low	48.3	Very low	114 Å²	114	122 Å²	122	74%	0.74	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-66.2	153	172.8	30.2	-35	0	0	0	110.9
257	P	67.4	Low	48	Very low	116 Å²	116	120.9 Å²	120.9	75%	0.753	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-64.2	151.4	172.8	29.2	-35.2	0	0	0	111
258	P	66.1	Low	47.6	Very low	115 Å²	115	120.3 Å²	120.3	75%	0.747	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-61.7	147.2	176.5	26.6	-34.6	0	0	0	111.1
259	P	54.6	Low	47	Very low	116 Å²	116	117.8 Å²	117.8	75%	0.753	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-65.4	147.4	175.3	29.1	-34.6	0	0	0	110.6
260	P	56.7	Low	46.8	Very low	116 Å²	116	116.1 Å²	116.1	75%	0.753	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-63.2	139.3	174.1	28	-34.4	0	0	0	110.3	L262	P260-L262 PolarHBondContact O-N 2.88Å
261	A	41.3	Very low	46.5	Very low	103 Å²	103	115.8 Å²	115.8	85%	0.851	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-56.8	121.9	-179.4	0	0	0	0	0	111.4
262	L	37.3	Very low	45.7	Very low	155 Å²	155	118.1 Å²	118.1	81%	0.812	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-82.4	139.8	172.8	-74.3	166.3	0	0	0	109.5	P260	P260-L262 PolarHBondContact O-N 2.88Å
263	P	36.7	Very low	44.5	Very low	95 Å²	95	119.6 Å²	119.6	62%	0.617	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-67.5	158.1	172	31.1	-35.5	0	0	0	110.6	S265	P263-S265 PolarHBondContact O-N 2.85Å
264	P	31.7	Very low	42.9	Very low	118 Å²	118	120 Å²	120	77%	0.766	75%	0.747	S	S	*	*			trans	-64.8	101.3	-179.9	25.7	-34.6	0	0	0	111.4
265	S	32.8	Very low	41.2	Very low	93 Å²	93	126.4 Å²	126.4	65%	0.65	76%	0.756	S	S	*	*			trans	-124	96.9	178.3	60.2	0	0	0	0	110.1	P263	P263-S265 PolarHBondContact O-N 2.85Å
266	S	28.8	Very low	39.5	Very low	96 Å²	96	132.6 Å²	132.6	67%	0.671	76%	0.764	S	S	*	*				86.8	86.9	64	73.9	0	0	0	0	113.7
267	L	29.5	Very low	37.8	Very low	167 Å²	167	130.6 Å²	130.6	87%	0.874	77%	0.765	S	S	*	*			trans	-157.3	139.2	162.9	-95	157.7	0	0	0	106
268	C	27.2	Very low	36.1	Very low	116 Å²	116	135.9 Å²	135.9	78%	0.784	77%	0.77	S	S	*	*			cis	-112.9	136.9	0.5	-65.8	0	0	0	0	111.6
269	I	29.8	Very low	34.3	Very low	145 Å²	145	138.7 Å²	138.7	74%	0.744	77%	0.773	S	S	*	*			trans	-113.3	135.3	167.8	-63.1	175.4	0	0	0	106.9
270	P	31.2	Very low	33.3	Very low	85 Å²	85	139 Å²	139	55%	0.552	78%	0.778	S	S	*	*			trans	-67.8	133.7	-176.3	26.6	-34.7	0	0	0	112	N272	P270-N272 PolarHBondContact O-N 3.33Å
271	P	36.5	Very low	32.2	Very low	137 Å²	137	139.6 Å²	139.6	89%	0.89	79%	0.785	S	S	*	*			trans	-79	104.3	-179.5	30.7	-33.6	0	0	0	111.2
272	N	32.6	Very low	31.6	Very low	132 Å²	132	138.1 Å²	138.1	71%	0.706	78%	0.78	S	S	*	*			trans	-115.1	139.2	176.5	-134.3	-23.3	0	0	0	111.4	P270	P270-N272 PolarHBondContact O-N 3.33Å
273	L	31.5	Very low	31.3	Very low	148 Å²	148	137.2 Å²	137.2	78%	0.775	78%	0.783	S	S	*	*			trans	61.7	105.6	164.8	-66.4	158.5	0	0	0	120.9
274	V	29	Very low	31	Very low	124 Å²	124	138.2 Å²	138.2	75%	0.752	79%	0.793	S	S	*	*				64.5	114.1	128.5	-178.1	0	0	0	0	120
275	R	31.1	Very low	30.7	Very low	246 Å²	246	138.6 Å²	138.6	93%	0.928	80%	0.798	S	S	*	*				-161.9	160.6	119.8	-110.5	168.7	-164.2	-155.3	3.7	115.6
276	R	32.5	Very low	30.6	Very low	247 Å²	247	139.1 Å²	139.1	93%	0.932	80%	0.802	S	S	*	*			trans	-67.3	154.9	173.8	-50.9	159.5	-177.5	169.3	-2	110
277	G	30.5	Very low	30.6	Very low	73 Å²	73	138.5 Å²	138.5	75%	0.753	80%	0.802	S	S	*	*			cis	134.5	107.6	-3.4	0	0	0	0	0	113.9
278	R	30.3	Very low	30.4	Very low	226 Å²	226	140.8 Å²	140.8	85%	0.853	80%	0.801	S	S	*	*			trans	-168.8	115.9	159	-105.8	-173.9	166.3	170	-1.4	108.2
279	Q	29.5	Very low	30.4	Very low	174 Å²	174	146.4 Å²	146.4	81%	0.813	81%	0.807	S	S	*	*				70.9	85.2	89.2	-72.5	-175.5	-32.6	0	0	115.6
280	S	32.8	Very low	30.2	Very low	124 Å²	124	144.2 Å²	144.2	87%	0.867	80%	0.804	S	S	*	*			trans	-126.1	156.5	130.7	62.6	0	0	0	0	107.6
281	S	32.8	Very low	30.1	Very low	127 Å²	127	145.3 Å²	145.3	89%	0.888	82%	0.82	S	S	*	*			trans	-144.8	127.7	-164.5	56.6	0	0	0	0	113.4
282	G	29.6	Very low	29.8	Very low	73 Å²	73	144.2 Å²	144.2	75%	0.753	81%	0.811	S	S	*	*			trans	-164.3	120	170.5	0	0	0	0	0	109.8
283	P	30.3	Very low	29.8	Very low	136 Å²	136	145.7 Å²	145.7	88%	0.883	82%	0.818	S	S	*	*			trans	-93.6	140.4	-175.5	34.6	-32.5	0	0	0	112.4
284	S	31.1	Very low	29.9	Very low	116 Å²	116	142.9 Å²	142.9	81%	0.811	81%	0.812	S	S	*	*			trans	-145.2	115.1	169.5	58.7	0	0	0	0	111.5
285	S	25	Very low	30.2	Very low	126 Å²	126	144.1 Å²	144.1	88%	0.881	81%	0.814	S	S	*	*			trans	-92.2	124.7	169.8	53.4	0	0	0	0	110.6
286	S	31.4	Very low	30.2	Very low	104 Å²	104	139 Å²	139	73%	0.727	81%	0.805	S	S	*	*			trans	-142.8	114.7	169.5	52.3	0	0	0	0	107.8
287	A	29.1	Very low	30.1	Very low	83 Å²	83	138.6 Å²	138.6	69%	0.686	80%	0.803	S	S	*	*				65.2	103.2	98.2	0	0	0	0	0	111.8
288	Y	25.6	Very low	30	Very low	214 Å²	214	140.1 Å²	140.1	84%	0.839	80%	0.802	S	S	*	*				53.9	111.3	82.7	-82.6	-80.4	0	0	0	113.1
289	Y	26.7	Very low	30	Very low	235 Å²	235	136.1 Å²	136.1	92%	0.922	80%	0.803	S	S	*	*				-150.4	116.1	126.7	-103.4	-70.9	0	0	0	109.9
290	C	24.9	Very low	29.9	Very low	99 Å²	99	136.6 Å²	136.6	67%	0.669	80%	0.804	S	S	*	*			trans	-92.4	149.9	152.2	-68.3	0	0	0	0	107.5	T292	C290-T292 HydrophobicContact CB-CG2 4.19Å
291	A	30.1	Very low	29.8	Very low	107 Å²	107	138.5 Å²	138.5	88%	0.884	80%	0.804	S	S	*	*			trans	-104.5	133.8	152.8	0	0	0	0	0	107.2
292	T	29.2	Very low	29.7	Very low	115 Å²	115	138.5 Å²	138.5	71%	0.706	80%	0.799	S	S	*	*			trans	-129	143.4	-172.1	51.1	0	0	0	0	110.6	C290	C290-T292 HydrophobicContact CB-CG2 4.19Å
293	D	32.8	Very low	29.5	Very low	162 Å²	162	140.6 Å²	140.6	87%	0.866	80%	0.802	S	S	*	*			trans	-176.1	147.3	141.7	-95.7	-15.9	0	0	0	108.8
294	S	34.6	Very low	29.5	Very low	90 Å²	90	140.8 Å²	140.8	63%	0.629	80%	0.801	S	S	*	*			cis	-159.5	-176.3	-12	62.3	0	0	0	0	111
295	D	34.4	Very low	29.3	Very low	150 Å²	150	141.1 Å²	141.1	80%	0.802	80%	0.803	S	S	*	*			trans	69.8	62	158.9	-63.5	7.4	0	0	0	120.3
296	D	30.8	Very low	29.4	Very low	138 Å²	138	146.5 Å²	146.5	74%	0.738	80%	0.804	S	S	*	*				15.7	121	122.4	-178.9	37	0	0	0	119.8
297	R	31.5	Very low	29.3	Very low	239 Å²	239	147.6 Å²	147.6	90%	0.902	81%	0.812	S	S	*	*				-164.9	135.8	124.5	-107.3	164.4	-164.8	-146.6	0.4	114.6
298	S	26.5	Very low	29.2	Very low	104 Å²	104	150 Å²	150	73%	0.727	81%	0.812	S	S	*	*			trans	-86.1	141.2	-173.5	60.4	0	0	0	0	115.6
299	V	31.5	Very low	29.5	Very low	142 Å²	142	142.4 Å²	142.4	86%	0.861	78%	0.784	S	S	*	*			trans	-138.3	123	153.3	-177.2	0	0	0	0	109.1
300	H	28.1	Very low	29.5	Very low	184 Å²	184	133.6 Å²	133.6	85%	0.852	76%	0.756	S	S	*	*			trans	-73	139.5	170.1	-89.6	-81.4	0	0	0	111.1
301	L	30.4	Very low	29.9	Very low	164 Å²	164	132.4 Å²	132.4	86%	0.859	75%	0.746	S	S	*	*			trans	-155.8	155.5	145.2	-110.4	161.6	0	0	0	111.4
302	T	30.8	Very low	29.9	Very low	128 Å²	128	129.8 Å²	129.8	79%	0.785	72%	0.724	S	S	*	*			trans	-72.1	152	-160.7	45.3	0	0	0	0	115.8
303	S	25.3	Very low	29.9	Very low	116 Å²	116	133.7 Å²	133.7	81%	0.811	73%	0.726	S	S	*	*			trans	-73	131.4	-178.7	56.4	0	0	0	0	115.1
304	T	29.7	Very low	29.8	Very low	141 Å²	141	133.3 Å²	133.3	87%	0.865	72%	0.717	S	S	*	*			trans	-133.7	115.5	148.1	49.6	0	0	0	0	109
305	S	26.1	Very low	29.6	Very low	122 Å²	122	134.8 Å²	134.8	85%	0.853	72%	0.724	S	S	*	*			trans	-78.2	121.6	-173.9	51.4	0	0	0	0	112.9
306	R	27.7	Very low	29.2	Very low	239 Å²	239	132 Å²	132	90%	0.902	73%	0.73	S	S	*	*			trans	-134.3	134.3	153.8	-75.3	-170.7	172.4	-163.2	-3.8	108.2
307	S	29.4	Very low	29.2	Very low	127 Å²	127	128.9 Å²	128.9	89%	0.888	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-66.7	139.3	175.4	39.4	0	0	0	0	110.6
308	L	28.1	Very low	29	Very low	134 Å²	134	123.7 Å²	123.7	70%	0.702	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-100.7	126.5	174	-82.5	162.7	0	0	0	109.5	W313	L308-W313 HydrophobicContact CD2-CZ2 4.38Å
309	H	30.7	Very low	29.1	Very low	54 Å²	54	123.7 Å²	123.7	25%	0.25	73%	0.732	C	S	.	*	P	Polyproline II helix	trans	-83.9	130.5	-174.6	-153.1	-113.7	0	0	0	111.1	T311 A312 R362	H309-T311 PolarHBondContact CE1-OG1 3.47Å; H309-T311 PolarHBondContact ND1-OG1 3.13Å; H309-T311 PolarHBondContact O-N 2.86Å; H309-T311 VanDerWaalsContact O-N 3.12Å; H309-A312 HydrophobicContact CB-CB 4.28Å; H309-A312 PolarHBondContact O-N 2.99Å; H309-R362 PolarHBondContact CD2-NH1 3.01Å; H309-R362 VanDerWaalsContact CD2-NH1 3.3Å; H309-R362 PolarHBondContact NE2-NH1 3.42Å
310	P	27.2	Very low	28.8	Very low	51 Å²	51	123.6 Å²	123.6	33%	0.331	73%	0.725	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.8	7.1	178.1	29.3	-33.5	0	0	0	114.7	L37	L37-P310 HydrophobicContact CD1-CB 4.32Å
311	T	33	Very low	28.9	Very low	73 Å²	73	121 Å²	121	45%	0.448	73%	0.727	S	S	.	*	T	Hydrogen-bonded Turn	trans	-126.3	46.8	167.3	50.5	0	0	0	0	112.6	H309	H309-T311 PolarHBondContact CE1-OG1 3.47Å; H309-T311 PolarHBondContact ND1-OG1 3.13Å; H309-T311 PolarHBondContact O-N 2.86Å; H309-T311 VanDerWaalsContact O-N 3.12Å
312	A	31.2	Very low	28.8	Very low	52 Å²	52	118.8 Å²	118.8	43%	0.43	72%	0.722	S	S	.	*			trans	-137.1	149.6	170.5	0	0	0	0	0	111.8	H309	H309-A312 HydrophobicContact CB-CB 4.28Å; H309-A312 PolarHBondContact O-N 2.99Å
313	W	29.2	Very low	28.8	Very low	197 Å²	197	117 Å²	117	75%	0.746	72%	0.72	S	S	*	*			trans	158.5	126.8	135.7	-98.3	72.8	0	0	0	110.1	L308	L308-W313 HydrophobicContact CD2-CZ2 4.38Å
314	K	30.2	Very low	29.1	Very low	154 Å²	154	119.8 Å²	119.8	67%	0.67	73%	0.725	S	S	*	*			trans	-80.9	144.7	-175.5	-58.6	-167.9	172.2	-128.4	0	112.5	E845	K314-E845 IonicContact NZ-OE1 2.78Å; K314-E845 PolarHBondContact NZ-OE1 3.34Å
315	P	30.2	Very low	29.1	Very low	122 Å²	122	123.5 Å²	123.5	79%	0.792	72%	0.724	S	S	*	*			trans	-64.1	146.6	150.2	-11.8	28.3	0	0	0	109.9	G317	P315-G317 PolarHBondContact O-N 2.89Å
316	G	26.3	Very low	29.4	Very low	90 Å²	90	126.8 Å²	126.8	93%	0.928	73%	0.726	S	S	*	*			trans	-77.5	107.9	-177	0	0	0	0	0	113.5
317	G	30.2	Very low	29.5	Very low	73 Å²	73	123 Å²	123	75%	0.753	72%	0.72	S	S	*	*			trans	-111.3	131	168.6	0	0	0	0	0	111.8	P315	P315-G317 PolarHBondContact O-N 2.89Å
318	V	26.4	Very low	29.5	Very low	131 Å²	131	124.3 Å²	124.3	79%	0.794	72%	0.716	S	S	*	*			trans	-89.6	109.7	-175.4	175.9	0	0	0	0	111	I320	V318-I320 HydrophobicContact CG1-CD1 3.81Å; V318-I320 HydrophobicContact CG1-CG1 3.84Å
319	A	29.2	Very low	29.6	Very low	103 Å²	103	126.6 Å²	126.6	85%	0.851	72%	0.723	S	S	*	*			trans	-91.2	105.7	170.9	0	0	0	0	0	111
320	I	26.1	Very low	29.5	Very low	141 Å²	141	129.1 Å²	129.1	72%	0.723	75%	0.746	S	S	*	*			trans	-114.7	110.8	167.8	-66.1	164.2	0	0	0	108.6	V318	V318-I320 HydrophobicContact CG1-CD1 3.81Å; V318-I320 HydrophobicContact CG1-CG1 3.84Å
321	C	29.6	Very low	29.6	Very low	130 Å²	130	135 Å²	135	88%	0.878	77%	0.772	S	S	*	*			trans	-141.5	122	157.1	-92.5	0	0	0	0	107.6
322	P	29.2	Very low	29.7	Very low	117 Å²	117	138.7 Å²	138.7	76%	0.76	79%	0.788	S	S	*	*			trans	-93.6	157.3	-168.2	35.7	-36	0	0	0	114.4
323	A	29.4	Very low	29.4	Very low	89 Å²	89	146 Å²	146	74%	0.736	81%	0.81	S	S	*	*			trans	55.9	113.5	149.4	0	0	0	0	0	119.9
324	N	32.5	Very low	29.5	Very low	175 Å²	175	141.9 Å²	141.9	94%	0.936	81%	0.809	S	S	*	*				-135.1	143.2	108.3	-126.1	-19.5	0	0	0	109.3
325	R	28.7	Very low	29.6	Very low	219 Å²	219	139.3 Å²	139.3	83%	0.826	81%	0.811	S	S	*	*			trans	-149.5	92	-162.6	-174.7	-159.8	-174.7	-169.3	2.7	113.6
326	E	32.8	Very low	29.5	Very low	192 Å²	192	139.6 Å²	139.6	90%	0.897	81%	0.814	S	S	*	*			trans	-167.5	144.6	163	-108.4	157.5	-139.8	0	0	107.4
327	M	31.1	Very low	29.7	Very low	158 Å²	158	143 Å²	143	78%	0.778	81%	0.81	S	S	*	*			cis	-125.9	160.7	-3.3	-65.6	168.9	62.8	0	0	110
328	I	28.1	Very low	29.6	Very low	156 Å²	156	143.9 Å²	143.9	80%	0.8	80%	0.802	S	S	*	*			trans	-106.9	123.2	167.7	-63.6	172.5	0	0	0	109.2
329	Q	31	Very low	29.8	Very low	181 Å²	181	147.4 Å²	147.4	85%	0.846	81%	0.806	S	S	*	*			trans	-134.6	147.2	151	-71.6	-164.3	-4.5	0	0	110
330	S	27.3	Very low	29.9	Very low	107 Å²	107	151 Å²	151	75%	0.748	80%	0.803	S	S	*	*			trans	-107.6	132	-162.5	54.6	0	0	0	0	113.5
331	M	30.7	Very low	30.1	Very low	176 Å²	176	152.9 Å²	152.9	87%	0.867	81%	0.808	S	S	*	*			trans	-142.9	130.5	155	-71.7	-159.2	-179.5	0	0	113.3
332	N	33.7	Very low	30.2	Very low	149 Å²	149	154.6 Å²	154.6	80%	0.797	81%	0.809	S	S	*	*			trans	52	119.1	145.2	-56.1	-16.5	0	0	0	121.7
333	K	25	Very low	30.4	Very low	205 Å²	205	156.5 Å²	156.5	89%	0.891	81%	0.813	S	S	*	*			trans	-86.1	136.8	153	-70.3	178.9	176	178.4	0	110.9
334	P	32.6	Very low	31	Very low	112 Å²	112	160 Å²	160	73%	0.727	82%	0.819	S	S	*	*			trans	-100.9	120.5	139.5	32.2	-23.7	0	0	0	108.6
335	S	31.2	Very low	31.9	Very low	99 Å²	99	155.5 Å²	155.5	69%	0.692	80%	0.801	S	S	*	*				70.7	100.3	66	77	0	0	0	0	114.2
336	C	28.6	Very low	33.9	Very low	129 Å²	129	153.1 Å²	153.1	87%	0.872	80%	0.797	S	S	*	*			trans	62.2	94.1	152.8	-50.2	0	0	0	0	118.6
337	I	30.6	Very low	36.1	Very low	162 Å²	162	149.3 Å²	149.3	83%	0.831	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-81.1	130.9	151.8	-58.1	174.1	0	0	0	107.3
338	P	28.2	Very low	38.8	Very low	90 Å²	90	143.5 Å²	143.5	58%	0.584	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-70.1	150.1	178.9	29.2	-35.1	0	0	0	111.9	F340	P338-F340 HydrophobicContact CG-CE2 4.24Å; P338-F340 PolarHBondContact O-N 2.82Å
339	K	29.8	Very low	41.8	Very low	205 Å²	205	138.4 Å²	138.4	89%	0.891	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-71.2	120.1	163	-69.6	-176.5	176.6	-173.6	0	108.3
340	F	31.2	Very low	44.7	Very low	180 Å²	180	131.7 Å²	131.7	79%	0.789	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-72.8	152.5	165.8	-77.7	-95.3	0	0	0	110	P338	P338-F340 HydrophobicContact CG-CE2 4.24Å; P338-F340 PolarHBondContact O-N 2.82Å
341	H	30.8	Very low	47.8	Very low	179 Å²	179	129 Å²	129	83%	0.829	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-79.4	133.9	175.3	-97.1	-110.8	0	0	0	110.5	D343	H341-D343 PolarHBondContact O-N 3.35Å
342	D	32.1	Very low	50.5	Low	167 Å²	167	124.8 Å²	124.8	89%	0.893	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	94.2	166	-69.9	-66.9	0	0	0	110
343	D	32.6	Very low	53	Low	157 Å²	157	121.2 Å²	121.2	84%	0.84	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-159.5	-2.8	158.4	-140.5	10.3	0	0	0	115.4	H341	H341-D343 PolarHBondContact O-N 3.35Å
344	D	42	Very low	56	Low	162 Å²	162	116.1 Å²	116.1	87%	0.866	64%	0.64	S	S	*	*	S	Bend	trans	-73.8	136.2	176.4	-88.5	-36.8	0	0	0	112.2	K346	D344-K346 PolarHBondContact O-N 2.87Å
345	S	51.7	Low	58.8	Low	80 Å²	80	110.8 Å²	110.8	56%	0.559	61%	0.605	S	S	*	*			trans	-67.1	128.2	-171.9	56.1	0	0	0	0	113.3	E347	S345-E347 PolarHBondContact O-N 3.02Å
346	K	70.6	Confident	61.8	Low	170 Å²	170	106.9 Å²	106.9	74%	0.739	58%	0.576	S	S	*	*			trans	-72.2	25.9	176.3	-57.9	-178.8	-178.8	178.3	0	114.4	D344	D344-K346 PolarHBondContact O-N 2.87Å
347	E	79.4	Confident	64.9	Low	112 Å²	112	100.8 Å²	100.8	52%	0.523	54%	0.535	S	S	.	.	S	Bend	trans	-85.3	155.4	177	-64.7	-149.2	114.9	0	0	111.2	S345 T349 Y360 K992	S345-E347 PolarHBondContact O-N 3.02Å; E347-T349 PolarHBondContact O-N 3.06Å; E347-Y360 VanDerWaalsContact O-CE2 3.28Å; E347-Y360 WeakPolarHBondContact O-CE2 3.46Å; E347-K992 IonicContact OE1-NZ 3.63Å; E347-K992 PolarHBondContact OE1-NZ 3.01Å
348	T	88.1	Confident	67.9	Low	35 Å²	35	96.4 Å²	96.4	22%	0.215	51%	0.508	C	S	.	.			trans	-61.8	135.9	174.8	-61	0	0	0	0	109.8	L357 R358 F359 L380 P991	T348-L357 HydrophobicContact CG2-CD1 3.62Å; T348-L357 HydrophobicContact CG2-CD2 4.41Å; T348-L357 HydrophobicContact CG2-CG 3.98Å; T348-R358 CarbonylContact C-O 3.57Å; T348-R358 VanDerWaalsContact CA-O 3.31Å; T348-R358 WeakPolarHBondContact CA-O 3.17Å; T348-R358 WeakPolarHBondContact CG2-O 3.36Å; T348-F359 HydrophobicContact CG2-CB 4.14Å; T348-L380 HydrophobicContact CG2-CD1 4.23Å; T348-L380 WeakPolarHBondContact O-CD2 3.34Å; T348-P991 HydrophobicContact CG2-CB 4.42Å; T348-P991 HydrophobicContact CG2-CG 4.41Å
349	T	91.3	Very high	70.8	Confident	50 Å²	50	92.4 Å²	92.4	31%	0.307	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.7	-179.7	48.8	0	0	0	0	110.8	E347 R358	E347-T349 PolarHBondContact O-N 3.06Å; T349-R358 PolarHBondContact N-O 2.94Å; T349-R358 PolarHBondContact O-N 3.39Å
350	Y	91.9	Very high	73.6	Confident	39 Å²	39	86.2 Å²	86.2	15%	0.153	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	134.7	170.7	175.3	-136.9	0	0	0	109.3	P352 I356 M370 M375 Y378	Y350-P352 HydrophobicContact CD1-CG 3.93Å; Y350-P352 HydrophobicContact CE1-CB 3.97Å; Y350-P352 HydrophobicContact CE1-CG 3.78Å; Y350-P352 WeakPolarHBondContact O-CD 3.44Å; Y350-I356 WeakPolarHBondContact CD2-O 3.25Å; Y350-M370 HydrophobicContact CD2-CE 3.79Å; Y350-M370 HydrophobicContact CE1-CE 4.3Å; Y350-M370 HydrophobicContact CE2-CE 3.18Å; Y350-M370 VanDerWaalsContact CZ-CE 3.47Å; Y350-M375 WeakPolarHBondContact OH-CA 3.5Å; Y350-M375 PolarHBondContact OH-O 3.35Å; Y350-Y378 AromaticContact CD1-CD1 3.78Å; Y350-Y378 HydrophobicContact CD1-CD1 3.78Å; Y350-Y378 HydrophobicContact CD1-CE1 4.41Å; Y350-Y378 HydrophobicContact CD2-CD1 4.29Å; Y350-Y378 HydrophobicContact CE1-CD1 4Å; Y350-Y378 AromaticContact CG-CD1 3.94Å; Y350-Y378 HydrophobicContact CG-CD1 3.94Å; Y350-Y378 HydrophobicContact CG-CE1 4.19Å
351	L	91.9	Very high	76.1	Confident	52 Å²	52	77.7 Å²	77.7	27%	0.272	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	94	178.2	-58.5	176.7	0	0	0	108.4	G353 D354 G355 I356	L351-G353 PolarHBondContact O-N 3.25Å; L351-D354 PolarHBondContact O-N 3.32Å; L351-G355 PolarHBondContact O-N 3.46Å; L351-I356 HydrophobicContact CB-CB 4.26Å; L351-I356 HydrophobicContact CD1-CB 4.34Å; L351-I356 HydrophobicContact CD1-CG2 4.27Å; L351-I356 PolarHBondContact N-O 2.85Å; L351-I356 PolarHBondContact O-N 3.11Å
352	P	87.5	Confident	78.5	Confident	86 Å²	86	74.1 Å²	74.1	56%	0.558	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-32.5	-168.5	-23.2	33.6	0	0	0	114.6	Y350 D354 G355 M375	Y350-P352 HydrophobicContact CD1-CG 3.93Å; Y350-P352 HydrophobicContact CE1-CB 3.97Å; Y350-P352 HydrophobicContact CE1-CG 3.78Å; Y350-P352 WeakPolarHBondContact O-CD 3.44Å; P352-D354 PolarHBondContact O-N 2.8Å; P352-G355 PolarHBondContact O-N 3.08Å; P352-M375 WeakPolarHBondContact O-CE 3.43Å
353	G	86.2	Confident	80.8	Confident	75 Å²	75	68 Å²	68	77%	0.773	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-39.9	-177.5	0	0	0	0	0	113.6	L351	L351-G353 PolarHBondContact O-N 3.25Å
354	D	87.7	Confident	83.3	Confident	98 Å²	98	65.2 Å²	65.2	52%	0.524	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-12.7	178.5	-56.2	-59.4	0	0	0	112.8	L351 P352 I356 R932	L351-D354 PolarHBondContact O-N 3.32Å; P352-D354 PolarHBondContact O-N 2.8Å; D354-I356 HydrophobicContact CB-CB 4.39Å; D354-I356 HydrophobicContact CB-CD1 3.58Å; D354-I356 HydrophobicContact CB-CG1 3.72Å; D354-R932 PolarHBondContact O-NH1 3.22Å; D354-R932 PolarHBondContact O-NH2 3.3Å
355	G	92.3	Very high	85.6	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	38.1	-169.1	0	0	0	0	0	112.7	L351 P352 M370 M375	L351-G355 PolarHBondContact O-N 3.46Å; P352-G355 PolarHBondContact O-N 3.08Å; G355-M370 WeakPolarHBondContact O-CB 3.3Å; G355-M370 PolarHBondContact O-N 2.77Å; G355-M375 VanDerWaalsContact CA-CE 3.5Å
356	I	94	Very high	87.5	Confident	16 Å²	16	57.1 Å²	57.1	8%	0.082	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	128.1	-178.6	-67	170.8	0	0	0	109.9	Y350 L351 D354 N367 V368 Y369	Y350-I356 WeakPolarHBondContact CD2-O 3.25Å; L351-I356 HydrophobicContact CB-CB 4.26Å; L351-I356 HydrophobicContact CD1-CB 4.34Å; L351-I356 HydrophobicContact CD1-CG2 4.27Å; L351-I356 PolarHBondContact N-O 2.85Å; L351-I356 PolarHBondContact O-N 3.11Å; D354-I356 HydrophobicContact CB-CB 4.39Å; D354-I356 HydrophobicContact CB-CD1 3.58Å; D354-I356 HydrophobicContact CB-CG1 3.72Å; I356-N367 HydrophobicContact CG2-CB 3.74Å; I356-V368 WeakPolarHBondContact CA-O 3.46Å; I356-Y369 HydrophobicContact CD1-CD1 4.28Å; I356-Y369 HydrophobicContact CD1-CE1 3.69Å; I356-Y369 HydrophobicContact CG1-CD1 3.74Å; I356-Y369 HydrophobicContact CG1-CE1 3.67Å
357	L	93.5	Very high	88.6	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	126.6	161.1	-174.5	75.6	0	0	0	108.4	T348 V368 Y378 L380 W945 A948	T348-L357 HydrophobicContact CG2-CD1 3.62Å; T348-L357 HydrophobicContact CG2-CD2 4.41Å; T348-L357 HydrophobicContact CG2-CG 3.98Å; L357-V368 HydrophobicContact CB-CG2 3.94Å; L357-V368 HydrophobicContact CD2-CG2 4.34Å; L357-V368 PolarHBondContact N-O 2.88Å; L357-V368 PolarHBondContact O-N 2.95Å; L357-Y378 HydrophobicContact CD1-CE1 4.14Å; L357-L380 HydrophobicContact CD1-CD1 3.85Å; L357-W945 HydrophobicContact CB-CE3 4.02Å; L357-W945 HydrophobicContact CB-CZ3 3.85Å; L357-W945 HydrophobicContact CD2-CE3 4.08Å; L357-W945 HydrophobicContact CD2-CZ3 3.83Å; L357-W945 HydrophobicContact CG-CZ3 4.32Å; L357-A948 HydrophobicContact CD2-CB 3.79Å
358	R	92.7	Very high	89.3	Confident	70 Å²	70	46.8 Å²	46.8	26%	0.264	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	113.9	175.6	173.7	177.5	-63.6	155.5	11	109.6	T348 T349 Y360 P365 V366 N367	T348-R358 CarbonylContact C-O 3.57Å; T348-R358 VanDerWaalsContact CA-O 3.31Å; T348-R358 WeakPolarHBondContact CA-O 3.17Å; T348-R358 WeakPolarHBondContact CG2-O 3.36Å; T349-R358 PolarHBondContact N-O 2.94Å; T349-R358 PolarHBondContact O-N 3.39Å; R358-Y360 WeakPolarHBondContact CD-OH 3.35Å; R358-Y360 HydrophobicContact CG-CE2 4.02Å; R358-P365 HydrophobicContact CG-CB 3.93Å; R358-V366 WeakPolarHBondContact CA-O 3.37Å; R358-N367 PolarHBondContact NE-OD1 3.44Å; R358-N367 PolarHBondContact NH2-OD1 2.95Å; R358-N367 VanDerWaalsContact NH2-OD1 3.1Å
359	F	89.4	Confident	89.5	Confident	7 Å²	7	48.1 Å²	48.1	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	174.8	167.6	63.5	-78.9	0	0	0	109.9	T348 I361 P365 V366 V368 L943 A948	T348-F359 HydrophobicContact CG2-CB 4.14Å; F359-I361 HydrophobicContact CD2-CG1 4.29Å; F359-I361 HydrophobicContact CE2-CD1 3.86Å; F359-I361 HydrophobicContact CE2-CG1 4.12Å; F359-P365 WeakPolarHBondContact O-CA 3.32Å; F359-V366 HydrophobicContact CD1-CB 4.34Å; F359-V366 HydrophobicContact CD2-CB 4.38Å; F359-V366 HydrophobicContact CE1-CB 4.01Å; F359-V366 HydrophobicContact CE1-CG1 3.8Å; F359-V366 HydrophobicContact CE2-CB 4.05Å; F359-V366 HydrophobicContact CE2-CG1 4.24Å; F359-V366 HydrophobicContact CE2-CG2 4.41Å; F359-V366 HydrophobicContact CZ-CB 3.85Å; F359-V366 HydrophobicContact CZ-CG1 3.6Å; F359-V366 PolarHBondContact N-O 3.26Å; F359-V366 VanDerWaalsContact N-O 3.1Å; F359-V366 PolarHBondContact O-N 3.47Å; F359-V368 HydrophobicContact CD1-CG2 4.29Å; F359-V368 HydrophobicContact CE1-CG1 3.85Å; F359-V368 HydrophobicContact CE1-CG2 3.91Å; F359-L943 HydrophobicContact CE2-CD2 4.11Å; F359-L943 HydrophobicContact CZ-CD2 4.07Å; F359-A948 HydrophobicContact CD1-CB 3.88Å; F359-A948 HydrophobicContact CE1-CB 3.78Å; F359-A948 HydrophobicContact CZ-CB 4.35Å
360	Y	88.1	Confident	89.6	Confident	75 Å²	75	45.7 Å²	45.7	29%	0.294	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	125.2	-172.1	-66.7	-98.2	0	0	0	110.6	E347 R358 R364 P365	E347-Y360 VanDerWaalsContact O-CE2 3.28Å; E347-Y360 WeakPolarHBondContact O-CE2 3.46Å; R358-Y360 WeakPolarHBondContact CD-OH 3.35Å; R358-Y360 HydrophobicContact CG-CE2 4.02Å; Y360-R364 WeakPolarHBondContact CA-O 3.45Å; Y360-P365 HydrophobicContact CD1-CB 4.1Å; Y360-P365 HydrophobicContact CE1-CB 3.8Å
361	I	85.4	Confident	89.8	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.1	172.8	-73.9	180	0	0	0	108	F359 G363 R364 Y912 L943 W951 G957	F359-I361 HydrophobicContact CD2-CG1 4.29Å; F359-I361 HydrophobicContact CE2-CD1 3.86Å; F359-I361 HydrophobicContact CE2-CG1 4.12Å; I361-G363 PolarHBondContact O-N 2.87Å; I361-R364 PolarHBondContact N-O 3.13Å; I361-R364 WeakPolarHBondContact O-CB 3.33Å; I361-R364 PolarHBondContact O-N 3.37Å; I361-Y912 HydrophobicContact CB-CG 4.46Å; I361-Y912 HydrophobicContact CG2-CD1 3.93Å; I361-Y912 HydrophobicContact CG2-CD2 3.69Å; I361-Y912 HydrophobicContact CG2-CE1 4.05Å; I361-Y912 HydrophobicContact CG2-CE2 3.81Å; I361-Y912 HydrophobicContact CG2-CG 3.76Å; I361-L943 HydrophobicContact CD1-CD2 3.5Å; I361-L943 VanDerWaalsContact CD1-CD2 3.5Å; I361-W951 HydrophobicContact CD1-CD2 4.14Å; I361-W951 HydrophobicContact CD1-CG 4.45Å; I361-W951 HydrophobicContact CD1-CZ2 4.41Å; I361-G957 VanDerWaalsContact CG2-CA 3.45Å
362	R	79.4	Confident	89.8	Confident	104 Å²	104	46.4 Å²	46.4	39%	0.392	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	23	-169.6	-65.1	-177.3	172.4	156.2	4	114.2	H309 R364 Y912 D956	H309-R362 PolarHBondContact CD2-NH1 3.01Å; H309-R362 VanDerWaalsContact CD2-NH1 3.3Å; H309-R362 PolarHBondContact NE2-NH1 3.42Å; R362-R364 VanDerWaalsContact C-N 3.35Å; R362-Y912 PolarHBondContact NH1-OH 2.97Å; R362-D956 VanDerWaalsContact CD-O 3.29Å; R362-D956 WeakPolarHBondContact CD-O 3.36Å; R362-D956 HydrophobicContact CG-CB 4.1Å; R362-D956 VanDerWaalsContact CG-O 3.27Å; R362-D956 WeakPolarHBondContact CG-O 3.38Å; R362-D956 VanDerWaalsContact CZ-O 3.24Å; R362-D956 IonicContact CZ-OD2 2.95Å; R362-D956 PolarHBondContact NE-O 2.88Å; R362-D956 IonicContact NE-OD2 3.57Å; R362-D956 IonicContact NH2-OD1 3.47Å; R362-D956 IonicContact NH2-OD2 2.75Å; R362-D956 PolarHBondContact NH2-OD2 3.32Å
363	G	81.1	Confident	90	Very high	38 Å²	38	50.5 Å²	50.5	39%	0.392	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	-4.8	-173.1	0	0	0	0	0	116.2	I361	I361-G363 PolarHBondContact O-N 2.87Å
364	R	85	Confident	90.3	Very high	99 Å²	99	49.8 Å²	49.8	37%	0.374	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	125.3	167	-177.3	178.6	-179.1	159.5	6.6	108.6	Y360 I361 R362 V366 D911 E913	Y360-R364 WeakPolarHBondContact CA-O 3.45Å; I361-R364 PolarHBondContact N-O 3.13Å; I361-R364 WeakPolarHBondContact O-CB 3.33Å; I361-R364 PolarHBondContact O-N 3.37Å; R362-R364 VanDerWaalsContact C-N 3.35Å; R364-V366 PolarHBondContact O-N 3.28Å; R364-D911 PolarHBondContact NH1-O 3.28Å; R364-E913 IonicContact CZ-OE1 3Å; R364-E913 IonicContact NH1-OE1 3.75Å; R364-E913 PolarHBondContact NH1-OE1 3.09Å; R364-E913 IonicContact NH2-OE1 2.74Å; R364-E913 PolarHBondContact NH2-OE1 2.82Å
365	P	90.2	Very high	90.4	Very high	64 Å²	64	47.2 Å²	47.2	42%	0.416	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	127	174	28.1	-32.7	0	0	0	110.6	R358 F359 Y360	R358-P365 HydrophobicContact CG-CB 3.93Å; F359-P365 WeakPolarHBondContact O-CA 3.32Å; Y360-P365 HydrophobicContact CD1-CB 4.1Å; Y360-P365 HydrophobicContact CE1-CB 3.8Å
366	V	91.3	Very high	90.2	Very high	7 Å²	7	55.9 Å²	55.9	4%	0.042	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	117.5	172.4	-176.9	0	0	0	0	107.6	R358 F359 R364 V368 I914	R358-V366 WeakPolarHBondContact CA-O 3.37Å; F359-V366 HydrophobicContact CD1-CB 4.34Å; F359-V366 HydrophobicContact CD2-CB 4.38Å; F359-V366 HydrophobicContact CE1-CB 4.01Å; F359-V366 HydrophobicContact CE1-CG1 3.8Å; F359-V366 HydrophobicContact CE2-CB 4.05Å; F359-V366 HydrophobicContact CE2-CG1 4.24Å; F359-V366 HydrophobicContact CE2-CG2 4.41Å; F359-V366 HydrophobicContact CZ-CB 3.85Å; F359-V366 HydrophobicContact CZ-CG1 3.6Å; F359-V366 PolarHBondContact N-O 3.26Å; F359-V366 VanDerWaalsContact N-O 3.1Å; F359-V366 PolarHBondContact O-N 3.47Å; R364-V366 PolarHBondContact O-N 3.28Å; V366-V368 HydrophobicContact CG1-CG1 4.43Å; V366-I914 HydrophobicContact CG1-CD1 3.97Å
367	N	93.5	Very high	90	Very high	60 Å²	60	61.8 Å²	61.8	32%	0.321	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.5	178	-63.6	-43.3	0	0	0	109.3	I356 R358	I356-N367 HydrophobicContact CG2-CB 3.74Å; R358-N367 PolarHBondContact NE-OD1 3.44Å; R358-N367 PolarHBondContact NH2-OD1 2.95Å; R358-N367 VanDerWaalsContact NH2-OD1 3.1Å
368	V	94.3	Very high	89.9	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.03	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	146.8	172	-67.3	0	0	0	0	110.7	I356 L357 F359 V366 I914 W945 A948	I356-V368 WeakPolarHBondContact CA-O 3.46Å; L357-V368 HydrophobicContact CB-CG2 3.94Å; L357-V368 HydrophobicContact CD2-CG2 4.34Å; L357-V368 PolarHBondContact N-O 2.88Å; L357-V368 PolarHBondContact O-N 2.95Å; F359-V368 HydrophobicContact CD1-CG2 4.29Å; F359-V368 HydrophobicContact CE1-CG1 3.85Å; F359-V368 HydrophobicContact CE1-CG2 3.91Å; V366-V368 HydrophobicContact CG1-CG1 4.43Å; V368-I914 HydrophobicContact CG1-CD1 3.45Å; V368-I914 VanDerWaalsContact CG1-CD1 3.45Å; V368-W945 HydrophobicContact CB-CB 4.3Å; V368-W945 HydrophobicContact CG2-CB 4.34Å; V368-A948 HydrophobicContact CG2-CB 4.42Å
369	Y	93.9	Very high	89.9	Confident	63 Å²	63	62.8 Å²	62.8	25%	0.247	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	125.5	-169.1	-60.5	-94.7	0	0	0	110.4	I356 P928 W945	I356-Y369 HydrophobicContact CD1-CD1 4.28Å; I356-Y369 HydrophobicContact CD1-CE1 3.69Å; I356-Y369 HydrophobicContact CG1-CD1 3.74Å; I356-Y369 HydrophobicContact CG1-CE1 3.67Å; Y369-P928 HydrophobicContact CD2-CB 3.88Å; Y369-P928 HydrophobicContact CE2-CB 3.64Å; Y369-P928 HydrophobicContact CE2-CG 4.25Å; Y369-W945 WeakPolarHBondContact O-CB 3.48Å
370	M	93.2	Very high	89.9	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-82.5	139.6	-179.9	-173.5	-172.8	-41.9	0	0	111.2	Y350 G355 I374 M375 Y378 R932 W945	Y350-M370 HydrophobicContact CD2-CE 3.79Å; Y350-M370 HydrophobicContact CE1-CE 4.3Å; Y350-M370 HydrophobicContact CE2-CE 3.18Å; Y350-M370 VanDerWaalsContact CZ-CE 3.47Å; G355-M370 WeakPolarHBondContact O-CB 3.3Å; G355-M370 PolarHBondContact O-N 2.77Å; M370-I374 HydrophobicContact CG-CB 3.98Å; M370-I374 HydrophobicContact CG-CG2 4.28Å; M370-I374 VanDerWaalsContact SD-C 3.58Å; M370-I374 HydrophobicContact SD-CB 3.75Å; M370-I374 HydrophobicContact SD-CG2 3.68Å; M370-M375 HydrophobicContact CB-CG 4.27Å; M370-M375 HydrophobicContact CG-CG 4.22Å; M370-M375 WeakPolarHBondContact SD-CA 3.45Å; M370-M375 HydrophobicContact SD-CB 4.3Å; M370-M375 HydrophobicContact SD-CG 3.88Å; M370-M375 PolarHBondContact SD-N 2.79Å; M370-Y378 HydrophobicContact CE-CD1 3.59Å; M370-Y378 HydrophobicContact CE-CD2 4.2Å; M370-Y378 HydrophobicContact CE-CE1 4.25Å; M370-Y378 HydrophobicContact CE-CG 3.55Å; M370-Y378 HydrophobicContact SD-CG 4.16Å; M370-R932 WeakPolarHBondContact O-CD 3.45Å; M370-R932 PolarHBondContact O-NH1 2.87Å; M370-W945 HydrophobicContact CB-CD2 4.15Å; M370-W945 HydrophobicContact CB-CE3 4.12Å; M370-W945 HydrophobicContact CB-CH2 4.26Å; M370-W945 HydrophobicContact CB-CZ2 4.33Å; M370-W945 HydrophobicContact CB-CZ3 4.17Å; M370-W945 HydrophobicContact CE-CH2 3.48Å; M370-W945 VanDerWaalsContact CE-CH2 3.48Å; M370-W945 HydrophobicContact CE-CZ2 4.24Å; M370-W945 HydrophobicContact CE-CZ3 3.76Å; M370-W945 HydrophobicContact CG-CD2 4.16Å; M370-W945 HydrophobicContact CG-CE3 4.34Å; M370-W945 HydrophobicContact CG-CH2 3.71Å; M370-W945 HydrophobicContact CG-CZ2 3.52Å; M370-W945 HydrophobicContact CG-CZ3 4.13Å; M370-W945 HydrophobicContact SD-CH2 3.89Å; M370-W945 HydrophobicContact SD-CZ2 4.05Å
371	P	94.5	Very high	90	Very high	30 Å²	30	65.4 Å²	65.4	20%	0.195	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-52.7	137.6	167.3	-24.3	31.5	0	0	0	112.2	Q373 I374 R932 D933 W945	P371-Q373 PolarHBondContact O-N 3.06Å; P371-Q373 VanDerWaalsContact O-N 3.12Å; P371-I374 HydrophobicContact CB-CD1 4.23Å; P371-I374 HydrophobicContact CB-CG1 4.39Å; P371-I374 HydrophobicContact CG-CD1 4.12Å; P371-I374 PolarHBondContact O-N 3Å; P371-R932 WeakPolarHBondContact CA-O 3.5Å; P371-R932 WeakPolarHBondContact CG-O 3.42Å; P371-D933 WeakPolarHBondContact CA-OD1 3.11Å; P371-W945 VanDerWaalsContact CD-NE1 3.32Å
372	T	93.8	Very high	90.3	Very high	75 Å²	75	70 Å²	70	46%	0.46	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-36.2	-174.1	-58.2	0	0	0	0	112.1	I374 M375 R932 D933	T372-I374 VanDerWaalsContact C-N 3.25Å; T372-I374 PolarHBondContact O-N 3.3Å; T372-M375 PolarHBondContact O-N 2.88Å; T372-R932 VanDerWaalsContact OG1-CD 3.26Å; T372-R932 WeakPolarHBondContact OG1-CD 3.31Å; T372-D933 WeakPolarHBondContact CB-OD2 3.24Å; T372-D933 PolarHBondContact N-OD1 3.06Å; T372-D933 PolarHBondContact OG1-OD2 2.81Å
373	Q	91.4	Very high	90.9	Very high	173 Å²	173	69 Å²	69	81%	0.808	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.8	-178.7	-56.3	178.7	14.6	0	0	113.7	P371	P371-Q373 PolarHBondContact O-N 3.06Å; P371-Q373 VanDerWaalsContact O-N 3.12Å
374	I	91.1	Very high	91.5	Very high	60 Å²	60	68.8 Å²	68.8	31%	0.308	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-25.3	-173.4	-54.1	177	0	0	0	111.3	M370 P371 T372 Q376 N377 Y378 W945	M370-I374 HydrophobicContact CG-CB 3.98Å; M370-I374 HydrophobicContact CG-CG2 4.28Å; M370-I374 VanDerWaalsContact SD-C 3.58Å; M370-I374 HydrophobicContact SD-CB 3.75Å; M370-I374 HydrophobicContact SD-CG2 3.68Å; P371-I374 HydrophobicContact CB-CD1 4.23Å; P371-I374 HydrophobicContact CB-CG1 4.39Å; P371-I374 HydrophobicContact CG-CD1 4.12Å; P371-I374 PolarHBondContact O-N 3Å; T372-I374 VanDerWaalsContact C-N 3.25Å; T372-I374 PolarHBondContact O-N 3.3Å; I374-Q376 VanDerWaalsContact C-N 3.29Å; I374-Q376 PolarHBondContact O-N 2.88Å; I374-Q376 VanDerWaalsContact O-N 3.09Å; I374-N377 PolarHBondContact O-N 3.24Å; I374-Y378 HydrophobicContact CG2-CD2 4.5Å; I374-Y378 PolarHBondContact O-N 3.08Å; I374-W945 HydrophobicContact CG2-CZ2 4.33Å
375	M	91.2	Very high	92.1	Very high	43 Å²	43	70.9 Å²	70.9	21%	0.212	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-37	-169.4	-73.1	175.8	53	0	0	115.4	Y350 P352 G355 M370 T372 N377	Y350-M375 WeakPolarHBondContact OH-CA 3.5Å; Y350-M375 PolarHBondContact OH-O 3.35Å; P352-M375 WeakPolarHBondContact O-CE 3.43Å; G355-M375 VanDerWaalsContact CA-CE 3.5Å; M370-M375 HydrophobicContact CB-CG 4.27Å; M370-M375 HydrophobicContact CG-CG 4.22Å; M370-M375 WeakPolarHBondContact SD-CA 3.45Å; M370-M375 HydrophobicContact SD-CB 4.3Å; M370-M375 HydrophobicContact SD-CG 3.88Å; M370-M375 PolarHBondContact SD-N 2.79Å; T372-M375 PolarHBondContact O-N 2.88Å; M375-N377 VanDerWaalsContact C-N 3.34Å
376	Q	87.5	Confident	92.4	Very high	182 Å²	182	69.1 Å²	69.1	85%	0.85	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-22.9	-177.1	-62.3	-177.7	4.5	0	0	113.4	I374	I374-Q376 VanDerWaalsContact C-N 3.29Å; I374-Q376 PolarHBondContact O-N 2.88Å; I374-Q376 VanDerWaalsContact O-N 3.09Å
377	N	89.4	Confident	92.6	Very high	141 Å²	141	68.9 Å²	68.9	75%	0.754	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	4.7	-170.2	-63.1	-46.5	0	0	0	113.3	I374 M375 D379	I374-N377 PolarHBondContact O-N 3.24Å; M375-N377 VanDerWaalsContact C-N 3.34Å; N377-D379 PolarHBondContact O-N 3.1Å
378	Y	92.2	Very high	92.7	Very high	18 Å²	18	71.4 Å²	71.4	7%	0.071	38%	0.375	C	S	.	.			trans	-84.2	100.6	-177.4	-176.4	-96.8	0	0	0	112.7	Y350 L357 M370 I374 L380 W945 N989 K990	Y350-Y378 AromaticContact CD1-CD1 3.78Å; Y350-Y378 HydrophobicContact CD1-CD1 3.78Å; Y350-Y378 HydrophobicContact CD1-CE1 4.41Å; Y350-Y378 HydrophobicContact CD2-CD1 4.29Å; Y350-Y378 HydrophobicContact CE1-CD1 4Å; Y350-Y378 AromaticContact CG-CD1 3.94Å; Y350-Y378 HydrophobicContact CG-CD1 3.94Å; Y350-Y378 HydrophobicContact CG-CE1 4.19Å; L357-Y378 HydrophobicContact CD1-CE1 4.14Å; M370-Y378 HydrophobicContact CE-CD1 3.59Å; M370-Y378 HydrophobicContact CE-CD2 4.2Å; M370-Y378 HydrophobicContact CE-CE1 4.25Å; M370-Y378 HydrophobicContact CE-CG 3.55Å; M370-Y378 HydrophobicContact SD-CG 4.16Å; I374-Y378 HydrophobicContact CG2-CD2 4.5Å; I374-Y378 PolarHBondContact O-N 3.08Å; Y378-L380 HydrophobicContact CE1-CB 4.12Å; Y378-L380 HydrophobicContact CE1-CD1 3.92Å; Y378-L380 VanDerWaalsContact OH-CD1 3.32Å; Y378-L380 WeakPolarHBondContact OH-CD1 3.33Å; Y378-W945 AromaticContact CD2-CH2 3.58Å; Y378-W945 HydrophobicContact CD2-CH2 3.58Å; Y378-W945 HydrophobicContact CD2-CZ2 4.22Å; Y378-W945 HydrophobicContact CE1-CH2 4.33Å; Y378-W945 AromaticContact CE2-CH2 3.33Å; Y378-W945 HydrophobicContact CE2-CH2 3.33Å; Y378-W945 HydrophobicContact CE2-CZ2 4.16Å; Y378-W945 HydrophobicContact CE2-CZ3 4.15Å; Y378-W945 HydrophobicContact CG-CH2 4.15Å; Y378-W945 AromaticContact CZ-CH2 3.74Å; Y378-N989 PolarHBondContact OH-O 2.84Å; Y378-K990 VanDerWaalsContact CD2-NZ 3.28Å; Y378-K990 HydrophobicContact CE2-CD 3.77Å
379	D	91.3	Very high	92.9	Very high	73 Å²	73	72 Å²	72	39%	0.39	38%	0.379	S	S	.	.			trans	-92.8	115.7	168.4	-178.5	-3.8	0	0	0	110.9	N377 S381 I382 K990	N377-D379 PolarHBondContact O-N 3.1Å; D379-S381 PolarHBondContact O-N 3.24Å; D379-S381 VanDerWaalsContact OD1-CB 3.27Å; D379-S381 WeakPolarHBondContact OD1-CB 3.41Å; D379-S381 PolarHBondContact OD1-N 2.99Å; D379-S381 PolarHBondContact OD1-OG 3.48Å; D379-S381 PolarHBondContact OD2-OG 2.87Å; D379-I382 HydrophobicContact CB-CD1 3.88Å; D379-I382 HydrophobicContact CB-CG1 4.01Å; D379-K990 PolarHBondContact O-NZ 2.94Å
380	L	90.9	Very high	93	Very high	43 Å²	43	71 Å²	71	23%	0.225	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.6	179.1	-172.4	64.4	0	0	0	113.2	T348 L357 Y378 P991	T348-L380 HydrophobicContact CG2-CD1 4.23Å; T348-L380 WeakPolarHBondContact O-CD2 3.34Å; L357-L380 HydrophobicContact CD1-CD1 3.85Å; Y378-L380 HydrophobicContact CE1-CB 4.12Å; Y378-L380 HydrophobicContact CE1-CD1 3.92Å; Y378-L380 VanDerWaalsContact OH-CD1 3.32Å; Y378-L380 WeakPolarHBondContact OH-CD1 3.33Å; L380-P991 VanDerWaalsContact CD1-CD 3.45Å; L380-P991 HydrophobicContact CD1-CG 3.83Å; L380-P991 HydrophobicContact CG-CG 4.4Å
381	S	88.8	Confident	93.3	Very high	95 Å²	95	71.5 Å²	71.5	66%	0.664	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-16.4	-177.4	77.4	0	0	0	0	114.1	D379 P383	D379-S381 PolarHBondContact O-N 3.24Å; D379-S381 VanDerWaalsContact OD1-CB 3.27Å; D379-S381 WeakPolarHBondContact OD1-CB 3.41Å; D379-S381 PolarHBondContact OD1-N 2.99Å; D379-S381 PolarHBondContact OD1-OG 3.48Å; D379-S381 PolarHBondContact OD2-OG 2.87Å; S381-P383 WeakPolarHBondContact O-CD 3.22Å
382	I	92.1	Very high	93.4	Very high	96 Å²	96	75.5 Å²	75.5	49%	0.492	40%	0.397	S	S	.	.	S	Bend	trans	-78.6	114.7	178.3	-57.8	177.7	0	0	0	109.5	D379 K990	D379-I382 HydrophobicContact CB-CD1 3.88Å; D379-I382 HydrophobicContact CB-CG1 4.01Å; I382-K990 WeakPolarHBondContact O-CD 3.4Å
383	P	91.6	Very high	93.6	Very high	83 Å²	83	72.8 Å²	72.8	54%	0.539	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-71	139	178.7	30	-34.7	0	0	0	111.1	S381 K385	S381-P383 WeakPolarHBondContact O-CD 3.22Å; P383-K385 PolarHBondContact O-N 3.22Å
384	L	94.6	Very high	93.9	Very high	34 Å²	34	66.4 Å²	66.4	18%	0.178	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-81.2	117.1	170.9	-175.5	61.8	0	0	0	109.3	K985 T988 K990 A993 E994	L384-K985 HydrophobicContact CD1-CB 4.09Å; L384-K985 HydrophobicContact CD2-CB 4.46Å; L384-K985 HydrophobicContact CG-CB 4.4Å; L384-T988 HydrophobicContact CD2-CG2 4.17Å; L384-K990 HydrophobicContact CB-CB 3.84Å; L384-K990 HydrophobicContact CB-CG 3.74Å; L384-A993 HydrophobicContact CB-CB 4.11Å; L384-A993 HydrophobicContact CD2-CB 4.2Å; L384-E994 WeakPolarHBondContact O-CB 3.43Å; L384-E994 PolarHBondContact O-N 3.34Å
385	K	96.7	Very high	94.2	Very high	144 Å²	144	63.7 Å²	63.7	63%	0.626	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-75.1	154.4	177.5	-67	-174.2	177.6	-177.1	0	112.4	P383 E994	P383-K385 PolarHBondContact O-N 3.22Å; K385-E994 WeakPolarHBondContact CA-OE2 3.22Å
386	A	96.8	Very high	94.6	Very high	26 Å²	26	61.7 Å²	61.7	22%	0.215	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-56.9	151.8	173.3	0	0	0	0	0	112	K985 E994 R996	A386-K985 VanDerWaalsContact O-CE 3.26Å; A386-K985 WeakPolarHBondContact O-CE 3.46Å; A386-E994 WeakPolarHBondContact CA-O 3.46Å; A386-E994 HydrophobicContact CB-CB 4.07Å; A386-R996 HydrophobicContact CB-CG 4.44Å
387	P	96.8	Very high	95	Very high	2 Å²	2	53 Å²	53	1%	0.013	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-63.8	142.2	176.6	27	-34	0	0	0	111.5	T389 I971 L983 K985 R996	P387-T389 VanDerWaalsContact C-N 3.35Å; P387-I971 HydrophobicContact CB-CG2 4Å; P387-L983 HydrophobicContact CB-CD2 4.36Å; P387-L983 VanDerWaalsContact CD-O 3.24Å; P387-L983 WeakPolarHBondContact CD-O 3.44Å; P387-L983 HydrophobicContact CG-CB 4.16Å; P387-L983 HydrophobicContact CG-CD2 3.79Å; P387-L983 HydrophobicContact CG-CG 3.84Å; P387-L983 WeakPolarHBondContact CG-O 3.33Å; P387-K985 HydrophobicContact CB-CG 3.99Å; P387-R996 HydrophobicContact CG-CG 4.43Å; P387-R996 PolarHBondContact O-NE 2.67Å; P387-R996 PolarHBondContact O-NH2 3.43Å
388	D	95.9	Very high	95.3	Very high	113 Å²	113	46.3 Å²	46.3	60%	0.604	25%	0.249	S	C	*	.	S	Bend	trans	-67.9	-41.9	173.9	-56.2	-82	0	0	0	109.5	K985 R996	D388-K985 WeakPolarHBondContact OD2-CE 3.34Å; D388-K985 IonicContact OD2-NZ 3.34Å; D388-K985 PolarHBondContact OD2-NZ 3.04Å; D388-R996 PolarHBondContact O-NH2 3.24Å
389	T	96.6	Very high	95.6	Very high	18 Å²	18	45.5 Å²	45.5	11%	0.11	25%	0.246	C	C	.	.	S	Bend	trans	-49.5	147.2	165.3	-45.4	0	0	0	0	112.8	P387 I971 R996 V1032 C1033 I1034	P387-T389 VanDerWaalsContact C-N 3.35Å; T389-I971 HydrophobicContact CG2-CD1 4.13Å; T389-R996 WeakPolarHBondContact O-CD 3.37Å; T389-R996 PolarHBondContact O-NE 3.4Å; T389-V1032 HydrophobicContact CG2-CG1 3.67Å; T389-C1033 WeakPolarHBondContact CA-O 3.42Å; T389-C1033 WeakPolarHBondContact CG2-O 3.44Å; T389-I1034 HydrophobicContact CG2-CG1 4.11Å
390	T	97.7	Very high	95.9	Very high	43 Å²	43	43 Å²	43	26%	0.264	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	159	-179.6	51.9	0	0	0	0	111.6	Y998 C1033	T390-Y998 WeakPolarHBondContact CA-OH 3.32Å; T390-C1033 PolarHBondContact N-O 2.8Å; T390-C1033 PolarHBondContact O-N 3.49Å; T390-C1033 WeakPolarHBondContact OG1-CB 3.49Å; T390-C1033 PolarHBondContact OG1-O 2.57Å
391	L	98.1	Very high	96.1	Very high	9 Å²	9	41 Å²	41	5%	0.047	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	144.2	159.9	-57.5	-177.9	0	0	0	109.8	V981 L983 Y998 L1017 W1030 E1031 V1032	L391-V981 HydrophobicContact CD1-CG1 3.83Å; L391-L983 HydrophobicContact CD2-CD1 4.32Å; L391-L983 HydrophobicContact CD2-CD2 4.42Å; L391-L983 HydrophobicContact CG-CD1 4.41Å; L391-L983 HydrophobicContact CG-CD2 4.28Å; L391-Y998 HydrophobicContact CB-CD1 4.24Å; L391-Y998 HydrophobicContact CB-CD2 4.13Å; L391-Y998 HydrophobicContact CB-CE1 3.92Å; L391-Y998 HydrophobicContact CB-CE2 3.78Å; L391-Y998 HydrophobicContact CB-CG 4.35Å; L391-Y998 HydrophobicContact CD1-CD2 3.86Å; L391-Y998 HydrophobicContact CD1-CE2 3.93Å; L391-Y998 HydrophobicContact CG-CD2 4.26Å; L391-Y998 HydrophobicContact CG-CE2 3.86Å; L391-Y998 PolarHBondContact N-OH 2.78Å; L391-Y998 WeakPolarHBondContact O-CE1 3.41Å; L391-L1017 HydrophobicContact CD1-CD2 3.61Å; L391-L1017 HydrophobicContact CD2-CB 4.39Å; L391-W1030 HydrophobicContact CB-CB 4.12Å; L391-W1030 HydrophobicContact CB-CE3 4.36Å; L391-W1030 HydrophobicContact CD1-CB 4.33Å; L391-W1030 HydrophobicContact CD1-CG 4.3Å; L391-W1030 HydrophobicContact CD2-CB 4.35Å; L391-E1031 WeakPolarHBondContact CA-O 3.2Å; L391-V1032 HydrophobicContact CD2-CG2 3.9Å
392	K	97.3	Very high	96.5	Very high	114 Å²	114	40.9 Å²	40.9	50%	0.496	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.1	169.5	168.9	-171.3	154.6	-146.3	0	107.6	E394 W1030 E1031	K392-E394 PolarHBondContact O-N 3.19Å; K392-W1030 CarbonylContact O-C 3.52Å; K392-W1030 VanDerWaalsContact O-CA 3.28Å; K392-W1030 WeakPolarHBondContact O-CA 3.47Å; K392-E1031 HydrophobicContact CB-CB 4.48Å; K392-E1031 PolarHBondContact N-O 3.47Å; K392-E1031 IonicContact NZ-OE2 2.96Å; K392-E1031 PolarHBondContact NZ-OE2 2.81Å; K392-E1031 PolarHBondContact O-N 2.8Å
393	L	98.2	Very high	96.5	Very high	18 Å²	18	39.1 Å²	39.1	9%	0.094	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	128.4	174.3	-173.9	69.4	0	0	0	109.2	I396 H436 L438 L1028 W1030	L393-I396 HydrophobicContact CD1-CG1 4.27Å; L393-I396 HydrophobicContact CD2-CD1 3.97Å; L393-I396 HydrophobicContact CD2-CG1 4.07Å; L393-H436 HydrophobicContact CD2-CB 3.85Å; L393-H436 VanDerWaalsContact CD2-CG 3.46Å; L393-L438 HydrophobicContact CB-CD1 4.41Å; L393-L438 HydrophobicContact CD2-CD1 4.17Å; L393-L438 HydrophobicContact CD2-CD2 3.69Å; L393-L438 HydrophobicContact CD2-CG 4.49Å; L393-L1028 HydrophobicContact CD1-CB 4.04Å; L393-L1028 HydrophobicContact CD1-CD2 4.38Å; L393-L1028 HydrophobicContact CD1-CG 3.95Å; L393-W1030 HydrophobicContact CB-CE3 3.9Å; L393-W1030 HydrophobicContact CB-CZ3 3.9Å; L393-W1030 HydrophobicContact CD1-CD2 4.1Å; L393-W1030 HydrophobicContact CD1-CE3 3.94Å; L393-W1030 HydrophobicContact CD1-CH2 4.26Å; L393-W1030 HydrophobicContact CD1-CZ2 4.42Å; L393-W1030 HydrophobicContact CD1-CZ3 4.02Å; L393-W1030 HydrophobicContact CG-CZ3 4.48Å
394	E	97.3	Very high	96.7	Very high	39 Å²	39	35.3 Å²	35.3	18%	0.182	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-41.7	-179.9	-176.7	-168.3	-167.8	0	0	111	K392 K748 R1016 Q1029 E1031	K392-E394 PolarHBondContact O-N 3.19Å; E394-K748 WeakPolarHBondContact OE1-CE 3.41Å; E394-K748 IonicContact OE1-NZ 3.58Å; E394-K748 PolarHBondContact OE1-NZ 3.04Å; E394-K748 IonicContact OE2-NZ 3.32Å; E394-R1016 IonicContact OE1-CZ 3.86Å; E394-R1016 IonicContact OE1-NE 2.71Å; E394-R1016 PolarHBondContact OE1-NE 3.36Å; E394-R1016 IonicContact OE1-NH2 2.81Å; E394-R1016 PolarHBondContact OE1-NH2 3.12Å; E394-R1016 IonicContact OE2-CZ 2.72Å; E394-R1016 IonicContact OE2-NE 3.27Å; E394-R1016 PolarHBondContact OE2-NE 3.38Å; E394-R1016 IonicContact OE2-NH2 3.24Å; E394-R1016 PolarHBondContact OE2-NH2 3.15Å; E394-Q1029 PolarHBondContact N-O 3.45Å; E394-Q1029 PolarHBondContact OE2-NE2 2.96Å; E394-E1031 HydrophobicContact CB-CB 4.38Å
395	W	98.2	Very high	96.7	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.015	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	152	-174.7	-158.9	-98.6	0	0	0	112.7	Y397 Y427 Q432 Q434 M712 K748 Q1029	W395-Y397 AromaticContact CD1-CD2 3.8Å; W395-Y397 AromaticContact CD1-CE2 3.75Å; W395-Y397 AromaticContact CD1-CG 3.94Å; W395-Y397 AromaticContact CD1-CZ 3.9Å; W395-Y427 AromaticContact CH2-CD2 3.97Å; W395-Y427 HydrophobicContact CH2-CD2 3.97Å; W395-Y427 AromaticContact CH2-CE2 3.69Å; W395-Y427 HydrophobicContact CH2-CE2 3.69Å; W395-Y427 HydrophobicContact CZ2-CE2 4.19Å; W395-Q432 WeakPolarHBondContact CZ3-O 3.45Å; W395-Q434 VanDerWaalsContact CD2-CD 3.48Å; W395-Q434 HydrophobicContact CD2-CG 3.97Å; W395-Q434 HydrophobicContact CE3-CB 3.85Å; W395-Q434 HydrophobicContact CE3-CG 3.61Å; W395-Q434 HydrophobicContact CH2-CG 3.89Å; W395-Q434 HydrophobicContact CZ2-CG 4.19Å; W395-Q434 HydrophobicContact CZ3-CB 4.03Å; W395-Q434 HydrophobicContact CZ3-CG 3.59Å; W395-M712 HydrophobicContact CZ2-CE 4.47Å; W395-K748 HydrophobicContact CB-CD 3.81Å; W395-K748 HydrophobicContact CD2-CB 3.73Å; W395-K748 HydrophobicContact CD2-CD 3.87Å; W395-K748 HydrophobicContact CD2-CG 3.67Å; W395-K748 VanDerWaalsContact CE2-CB 3.47Å; W395-K748 HydrophobicContact CE3-CB 4.2Å; W395-K748 HydrophobicContact CE3-CD 4.17Å; W395-K748 HydrophobicContact CE3-CG 3.76Å; W395-K748 HydrophobicContact CG-CB 4.13Å; W395-K748 HydrophobicContact CG-CD 3.72Å; W395-K748 HydrophobicContact CG-CG 4.06Å; W395-K748 HydrophobicContact CH2-CB 4.16Å; W395-K748 HydrophobicContact CH2-CG 4.36Å; W395-K748 HydrophobicContact CZ2-CB 3.72Å; W395-K748 HydrophobicContact CZ2-CG 4.32Å; W395-K748 HydrophobicContact CZ3-CB 4.38Å; W395-K748 HydrophobicContact CZ3-CG 4.09Å; W395-Q1029 HydrophobicContact CB-CB 4.22Å; W395-Q1029 PolarHBondContact N-O 2.83Å; W395-Q1029 PolarHBondContact O-N 2.96Å
396	I	98.3	Very high	96.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.2	167.4	-62.8	-169.1	0	0	0	108.9	L393 V420 V423 V425 Q434 A1026 V1027 L1028	L393-I396 HydrophobicContact CD1-CG1 4.27Å; L393-I396 HydrophobicContact CD2-CD1 3.97Å; L393-I396 HydrophobicContact CD2-CG1 4.07Å; I396-V420 HydrophobicContact CG2-CG1 3.43Å; I396-V420 VanDerWaalsContact CG2-CG1 3.43Å; I396-V423 HydrophobicContact CD1-CB 3.64Å; I396-V423 HydrophobicContact CD1-CG1 3.54Å; I396-V423 HydrophobicContact CD1-CG2 3.75Å; I396-V425 HydrophobicContact CB-CG2 4.23Å; I396-V425 HydrophobicContact CD1-CG2 4.23Å; I396-V425 HydrophobicContact CG2-CG2 4.48Å; I396-Q434 PolarHBondContact O-NE2 2.91Å; I396-A1026 HydrophobicContact CG2-CB 4.47Å; I396-V1027 WeakPolarHBondContact CA-O 3.49Å; I396-L1028 HydrophobicContact CB-CD1 4.46Å; I396-L1028 HydrophobicContact CD1-CD1 3.89Å; I396-L1028 HydrophobicContact CD1-CG 4.04Å; I396-L1028 HydrophobicContact CG1-CD1 3.88Å; I396-L1028 HydrophobicContact CG1-CG 3.93Å; I396-L1028 HydrophobicContact CG2-CD1 4.02Å
397	Y	97.4	Very high	96.6	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	135.6	168.6	-53	-101.6	0	0	0	109.5	W395 M712 F731 W743 D744 K748 V1027 Q1029	W395-Y397 AromaticContact CD1-CD2 3.8Å; W395-Y397 AromaticContact CD1-CE2 3.75Å; W395-Y397 AromaticContact CD1-CG 3.94Å; W395-Y397 AromaticContact CD1-CZ 3.9Å; Y397-M712 HydrophobicContact CD1-CE 4.37Å; Y397-F731 HydrophobicContact CD2-CZ 4.32Å; Y397-F731 HydrophobicContact CE2-CE1 4.3Å; Y397-F731 AromaticContact CE2-CZ 3.71Å; Y397-F731 HydrophobicContact CE2-CZ 3.71Å; Y397-F731 AromaticContact CZ-CZ 3.88Å; Y397-W743 HydrophobicContact CD1-CD2 4.18Å; Y397-W743 AromaticContact CD1-CE3 3.36Å; Y397-W743 HydrophobicContact CD1-CE3 3.36Å; Y397-W743 HydrophobicContact CD1-CH2 4.22Å; Y397-W743 AromaticContact CD1-CZ3 3.39Å; Y397-W743 HydrophobicContact CD1-CZ3 3.39Å; Y397-W743 HydrophobicContact CE1-CD2 4.31Å; Y397-W743 AromaticContact CE1-CE3 3.59Å; Y397-W743 HydrophobicContact CE1-CE3 3.59Å; Y397-W743 HydrophobicContact CE1-CZ3 4.1Å; Y397-W743 HydrophobicContact CG-CE3 4.17Å; Y397-W743 HydrophobicContact CG-CH2 4.48Å; Y397-W743 HydrophobicContact CG-CZ3 4.07Å; Y397-D744 PolarHBondContact OH-O 2.89Å; Y397-D744 VanDerWaalsContact OH-O 3.07Å; Y397-K748 VanDerWaalsContact CE1-O 3.25Å; Y397-K748 WeakPolarHBondContact CE1-O 3.34Å; Y397-V1027 HydrophobicContact CD2-CB 4.15Å; Y397-V1027 HydrophobicContact CD2-CG1 4.31Å; Y397-V1027 PolarHBondContact N-O 2.91Å; Y397-V1027 PolarHBondContact O-N 2.92Å; Y397-Q1029 HydrophobicContact CE2-CB 4.19Å; Y397-Q1029 PolarHBondContact OH-OE1 3.31Å
398	G	95.4	Very high	96.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.153	C	C	.	.			trans	106.6	156.2	179.7	0	0	0	0	0	114.8	F713	G398-F713 WeakPolarHBondContact CA-O 3.38Å; G398-F713 PolarHBondContact N-O 2.9Å; G398-F713 VanDerWaalsContact N-O 3.08Å
399	Y	97.7	Very high	96.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.136	C	C	.	.			trans	-140.5	136.4	178.3	148.6	-102.7	0	0	0	109.5	G401 N407 L408 Y418 T681 N697 M698 I699	Y399-G401 PolarHBondContact O-N 2.94Å; Y399-N407 PolarHBondContact OH-OD1 2.98Å; Y399-L408 HydrophobicContact CE2-CB 4.31Å; Y399-Y418 AromaticContact CD2-CD2 3.91Å; Y399-Y418 HydrophobicContact CD2-CD2 3.91Å; Y399-Y418 HydrophobicContact CD2-CG 4.21Å; Y399-Y418 HydrophobicContact CG-CD2 4.49Å; Y399-T681 VanDerWaalsContact OH-CG2 3.23Å; Y399-T681 WeakPolarHBondContact OH-CG2 3.45Å; Y399-N697 PolarHBondContact N-O 3.29Å; Y399-N697 CarbonylContact O-C 3.53Å; Y399-N697 WeakPolarHBondContact O-CA 3.45Å; Y399-N697 WeakPolarHBondContact O-CB 3.43Å; Y399-N697 PolarHBondContact O-OD1 3.32Å; Y399-N697 VanDerWaalsContact O-OD1 3.08Å; Y399-M698 WeakPolarHBondContact CD1-O 3.46Å; Y399-I699 HydrophobicContact CD1-CG1 3.85Å; Y399-I699 HydrophobicContact CD2-CD1 4.22Å; Y399-I699 HydrophobicContact CD2-CG1 4.26Å; Y399-I699 HydrophobicContact CG-CD1 3.95Å; Y399-I699 HydrophobicContact CG-CG1 3.65Å
400	R	97.7	Very high	96.6	Very high	21 Å²	21	30.9 Å²	30.9	8%	0.079	14%	0.14	C	C	.	.			trans	-82.1	76.8	-176	-167	172.2	-175	148.7	2.1	113.3	D403 C404 N407 F419 V420 D443	R400-D403 VanDerWaalsContact CG-OD1 3.23Å; R400-D403 WeakPolarHBondContact CG-OD1 3.41Å; R400-D403 IonicContact CZ-OD1 3.03Å; R400-D403 IonicContact CZ-OD2 2.97Å; R400-D403 IonicContact NE-OD1 3.85Å; R400-D403 PolarHBondContact NE-OD1 3.31Å; R400-D403 IonicContact NE-OD2 2.67Å; R400-D403 PolarHBondContact NE-OD2 2.89Å; R400-D403 IonicContact NH2-OD1 3.9Å; R400-D403 IonicContact NH2-OD2 3.65Å; R400-D403 PolarHBondContact NH2-OD2 3.2Å; R400-C404 HydrophobicContact CG-CB 4.21Å; R400-N407 PolarHBondContact O-ND2 3.18Å; R400-F419 HydrophobicContact CB-CD2 4.27Å; R400-F419 HydrophobicContact CB-CE2 4.39Å; R400-F419 WeakPolarHBondContact CB-O 3.08Å; R400-F419 PolarHBondContact N-O 2.83Å; R400-V420 HydrophobicContact CB-CB 4.43Å; R400-V420 HydrophobicContact CB-CG2 4.33Å; R400-D443 IonicContact CZ-OD1 2.69Å; R400-D443 IonicContact CZ-OD2 2.67Å; R400-D443 VanDerWaalsContact CZ-OD2 3.29Å; R400-D443 IonicContact NH1-OD1 2.96Å; R400-D443 PolarHBondContact NH1-OD1 3.21Å; R400-D443 IonicContact NH1-OD2 3.6Å; R400-D443 PolarHBondContact NH1-OD2 3.23Å; R400-D443 IonicContact NH2-OD1 2.87Å; R400-D443 IonicContact NH2-OD2 3.08Å; R400-D443 PolarHBondContact NH2-OD2 3.33Å
401	G	96.2	Very high	96.5	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.128	C	C	.	.			trans	-97.2	-18.9	177.8	0	0	0	0	0	115.5	Y399 R680 T694 N697	Y399-G401 PolarHBondContact O-N 2.94Å; G401-R680 VanDerWaalsContact O-CG 3.31Å; G401-R680 WeakPolarHBondContact O-CG 3.47Å; G401-R680 PolarHBondContact O-NE 3.16Å; G401-T694 CarbonylContact C-O 3.55Å; G401-T694 WeakPolarHBondContact CA-O 3.31Å; G401-N697 PolarHBondContact N-OD1 2.87Å
402	R	95.2	Very high	96.2	Very high	93 Å²	93	33.4 Å²	33.4	35%	0.351	16%	0.157	S	C	.	.	S	Bend	trans	-60.8	-58.1	-178.1	177.5	173.1	170.9	127.1	-4.5	113.3	R680 N697 F716 E717	R402-R680 PolarHBondContact O-NH2 3.09Å; R402-N697 WeakPolarHBondContact CB-OD1 3.47Å; R402-N697 PolarHBondContact N-OD1 2.67Å; R402-F716 WeakPolarHBondContact CD-O 3.45Å; R402-F716 PolarHBondContact NH1-O 3.15Å; R402-E717 VanDerWaalsContact CZ-CD 3.48Å; R402-E717 IonicContact CZ-OE1 3.29Å; R402-E717 IonicContact CZ-OE2 3.21Å; R402-E717 IonicContact NH1-OE1 3.91Å; R402-E717 PolarHBondContact NH1-OE1 3.37Å; R402-E717 IonicContact NH1-OE2 3.77Å; R402-E717 VanDerWaalsContact NH2-CD 3.28Å; R402-E717 IonicContact NH2-OE1 2.82Å; R402-E717 PolarHBondContact NH2-OE1 3.39Å; R402-E717 IonicContact NH2-OE2 3.23Å; R402-E717 PolarHBondContact NH2-OE2 2.89Å
403	D	93	Very high	95.9	Very high	60 Å²	60	31.6 Å²	31.6	32%	0.321	16%	0.156	S	C	.	.	S	Bend	trans	-107.5	-22.8	-171.9	70.2	-37	0	0	0	114.5	R400 R405 K445	R400-D403 VanDerWaalsContact CG-OD1 3.23Å; R400-D403 WeakPolarHBondContact CG-OD1 3.41Å; R400-D403 IonicContact CZ-OD1 3.03Å; R400-D403 IonicContact CZ-OD2 2.97Å; R400-D403 IonicContact NE-OD1 3.85Å; R400-D403 PolarHBondContact NE-OD1 3.31Å; R400-D403 IonicContact NE-OD2 2.67Å; R400-D403 PolarHBondContact NE-OD2 2.89Å; R400-D403 IonicContact NH2-OD1 3.9Å; R400-D403 IonicContact NH2-OD2 3.65Å; R400-D403 PolarHBondContact NH2-OD2 3.2Å; D403-R405 PolarHBondContact O-NH2 3.43Å; D403-K445 IonicContact OD2-NZ 3.53Å; D403-K445 PolarHBondContact OD2-NZ 2.98Å
404	C	95.9	Very high	95.6	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.014	16%	0.159	C	C	.	.			trans	-96	169.4	178.1	-67.3	0	0	0	0	112.8	R400 F419 K445 R680	R400-C404 HydrophobicContact CG-CB 4.21Å; C404-F419 HydrophobicContact CB-CE2 3.89Å; C404-F419 HydrophobicContact CB-CZ 4.09Å; C404-K445 PolarHBondContact SG-NZ 2.82Å; C404-R680 WeakPolarHBondContact O-CD 3.26Å; C404-R680 WeakPolarHBondContact O-CG 3.24Å; C404-R680 PolarHBondContact O-NE 3.2Å; C404-R680 VanDerWaalsContact O-NE 3.13Å
405	R	94.9	Very high	95.6	Very high	81 Å²	81	30.1 Å²	30.1	31%	0.306	15%	0.153	S	C	.	.			trans	-154.7	165.6	-178.1	70.3	-157.7	77.2	95.4	4.4	111.4	D403 N407 T543	D403-R405 PolarHBondContact O-NH2 3.43Å; R405-N407 VanDerWaalsContact C-OD1 3.24Å; R405-N407 WeakPolarHBondContact CA-OD1 3.35Å; R405-N407 PolarHBondContact N-OD1 2.92Å; R405-N407 PolarHBondContact O-N 2.97Å; R405-T543 WeakPolarHBondContact CD-O 3.09Å; R405-T543 PolarHBondContact NH1-O 3.01Å
406	N	92.4	Very high	95.6	Very high	59 Å²	59	29.9 Å²	29.9	32%	0.316	15%	0.152	S	C	.	.	S	Bend	trans	51.5	33.9	-177.7	-62	2.1	0	0	0	113.2	H409	N406-H409 PolarHBondContact O-NE2 3.34Å
407	N	97.8	Very high	95.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.			trans	-123.5	28.9	-166.2	63	-42.1	0	0	0	114.1	Y399 R400 R405 Y418 F419 I447	Y399-N407 PolarHBondContact OH-OD1 2.98Å; R400-N407 PolarHBondContact O-ND2 3.18Å; R405-N407 VanDerWaalsContact C-OD1 3.24Å; R405-N407 WeakPolarHBondContact CA-OD1 3.35Å; R405-N407 PolarHBondContact N-OD1 2.92Å; R405-N407 PolarHBondContact O-N 2.97Å; N407-Y418 VanDerWaalsContact O-CA 3.32Å; N407-Y418 WeakPolarHBondContact O-CA 3.36Å; N407-Y418 VanDerWaalsContact O-CB 3.27Å; N407-Y418 WeakPolarHBondContact O-CB 3.28Å; N407-F419 HydrophobicContact CB-CD1 4.09Å; N407-F419 HydrophobicContact CB-CE1 3.35Å; N407-F419 HydrophobicContact CB-CE2 4.14Å; N407-F419 HydrophobicContact CB-CZ 3.37Å; N407-F419 WeakPolarHBondContact ND2-CE2 3.5Å; N407-I447 HydrophobicContact CB-CG2 4.13Å
408	L	97.9	Very high	95.6	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.016	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	114.9	173.9	-179.1	60.3	0	0	0	107.8	Y399 L416 I417 Y418 T681 T683 I691 I699	Y399-L408 HydrophobicContact CE2-CB 4.31Å; L408-L416 HydrophobicContact CD1-CB 4.5Å; L408-L416 HydrophobicContact CD1-CD2 4.12Å; L408-I417 WeakPolarHBondContact CA-O 3.43Å; L408-Y418 HydrophobicContact CD1-CD1 3.96Å; L408-Y418 HydrophobicContact CD1-CG 4.18Å; L408-T681 HydrophobicContact CB-CG2 3.67Å; L408-T681 HydrophobicContact CD2-CG2 4.04Å; L408-T681 HydrophobicContact CG-CG2 4.49Å; L408-T683 HydrophobicContact CG-CG2 4.3Å; L408-I691 HydrophobicContact CD2-CG2 3.91Å; L408-I691 HydrophobicContact CG-CG2 4.35Å; L408-I699 HydrophobicContact CD1-CD1 3.87Å; L408-I699 HydrophobicContact CD1-CG1 4.48Å; L408-I699 HydrophobicContact CD2-CD1 4.45Å; L408-I699 HydrophobicContact CD2-CG1 4.17Å; L408-I699 HydrophobicContact CD2-CG2 4.13Å
409	H	97.1	Very high	95.8	Very high	52 Å²	52	29.9 Å²	29.9	24%	0.241	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	149.1	-176.6	-56.6	-102.1	0	0	0	109.8	N406 I417 I449	N406-H409 PolarHBondContact O-NE2 3.34Å; H409-I417 HydrophobicContact CB-CG2 3.8Å; H409-I417 PolarHBondContact N-O 2.79Å; H409-I417 PolarHBondContact O-N 3.45Å; H409-I449 HydrophobicContact CB-CG1 4.2Å
410	Y	95.1	Very high	95.8	Very high	49 Å²	49	29.9 Å²	29.9	19%	0.192	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.2	171	-164.9	-95.9	0	0	0	110.6	G414 L416	Y410-G414 WeakPolarHBondContact OH-CA 3.33Å; Y410-L416 HydrophobicContact CD2-CD2 3.82Å; Y410-L416 HydrophobicContact CD2-CG 4.27Å
411	L	95.3	Very high	95.8	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.016	15%	0.148	C	C	.	.			trans	-94.8	151.2	178.2	-64.5	-178.8	0	0	0	111.6	T413 G414 E415 I417 L426 I449	L411-T413 WeakPolarHBondContact CB-OG1 3.49Å; L411-T413 PolarHBondContact O-N 3Å; L411-G414 PolarHBondContact O-N 3.41Å; L411-E415 WeakPolarHBondContact CB-O 3.36Å; L411-E415 HydrophobicContact CD1-CB 4.41Å; L411-E415 PolarHBondContact N-O 2.99Å; L411-I417 HydrophobicContact CD1-CB 4.04Å; L411-I417 HydrophobicContact CD1-CD1 4.35Å; L411-I417 HydrophobicContact CD1-CG2 4.08Å; L411-I417 HydrophobicContact CD2-CG2 3.9Å; L411-I417 HydrophobicContact CG-CB 4.21Å; L411-I417 HydrophobicContact CG-CG2 3.78Å; L411-L426 HydrophobicContact CD1-CD2 4.21Å; L411-I449 HydrophobicContact CD2-CD1 4.38Å; L411-I449 HydrophobicContact CD2-CG2 4.31Å
412	P	91.6	Very high	95.9	Very high	102 Å²	102	29 Å²	29	66%	0.662	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-9.6	174.5	-23.2	34.8	0	0	0	115.2	G414 R453	P412-G414 VanDerWaalsContact C-N 3.29Å; P412-R453 HydrophobicContact CG-CB 3.7Å; P412-R453 HydrophobicContact CG-CG 3.99Å
413	T	91.9	Very high	96.1	Very high	77 Å²	77	24.6 Å²	24.6	47%	0.472	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-10	173	49.4	0	0	0	0	113.8	L411 E415	L411-T413 WeakPolarHBondContact CB-OG1 3.49Å; L411-T413 PolarHBondContact O-N 3Å; T413-E415 WeakPolarHBondContact CB-OE2 3.22Å; T413-E415 PolarHBondContact OG1-OE2 2.85Å
414	G	91.8	Very high	96.4	Very high	15 Å²	15	21.7 Å²	21.7	16%	0.155	12%	0.117	C	C	.	.	S	Bend	trans	94	-5.9	-170.3	0	0	0	0	0	113.9	Y410 L411 P412	Y410-G414 WeakPolarHBondContact OH-CA 3.33Å; L411-G414 PolarHBondContact O-N 3.41Å; P412-G414 VanDerWaalsContact C-N 3.29Å
415	E	96.5	Very high	96.5	Very high	10 Å²	10	21.6 Å²	21.6	5%	0.047	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	133.4	-176	-61.6	168.5	111	0	0	112.2	L411 T413 L426 Y427 N428 R435	L411-E415 WeakPolarHBondContact CB-O 3.36Å; L411-E415 HydrophobicContact CD1-CB 4.41Å; L411-E415 PolarHBondContact N-O 2.99Å; T413-E415 WeakPolarHBondContact CB-OE2 3.22Å; T413-E415 PolarHBondContact OG1-OE2 2.85Å; E415-L426 HydrophobicContact CB-CB 4.39Å; E415-L426 WeakPolarHBondContact OE1-CB 3.33Å; E415-Y427 CarbonylContact C-O 3.45Å; E415-Y427 WeakPolarHBondContact CA-O 3.16Å; E415-N428 HydrophobicContact CG-CB 4.28Å; E415-R435 VanDerWaalsContact CD-NH2 3.28Å; E415-R435 IonicContact OE1-CZ 3.88Å; E415-R435 IonicContact OE1-NE 3.71Å; E415-R435 PolarHBondContact OE1-NE 2.91Å; E415-R435 IonicContact OE1-NH2 3.38Å; E415-R435 PolarHBondContact OE1-NH2 2.88Å; E415-R435 IonicContact OE2-NH2 3.24Å; E415-R435 PolarHBondContact OE2-NH2 2.93Å
416	L	97.6	Very high	96.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	126.9	158.6	-77	175.2	0	0	0	109.7	L408 Y410 Y418 L426 Y427 I429 T683 I691 I699 L711	L408-L416 HydrophobicContact CD1-CB 4.5Å; L408-L416 HydrophobicContact CD1-CD2 4.12Å; Y410-L416 HydrophobicContact CD2-CD2 3.82Å; Y410-L416 HydrophobicContact CD2-CG 4.27Å; L416-Y418 HydrophobicContact CB-CD1 4.38Å; L416-L426 CarbonylContact O-C 3.58Å; L416-L426 WeakPolarHBondContact O-CA 3.45Å; L416-Y427 PolarHBondContact N-O 2.76Å; L416-Y427 PolarHBondContact O-N 2.99Å; L416-I429 HydrophobicContact CD1-CD1 3.77Å; L416-I429 HydrophobicContact CD1-CG1 4.09Å; L416-I429 HydrophobicContact CG-CD1 4.06Å; L416-I429 HydrophobicContact CG-CG1 4.42Å; L416-T683 HydrophobicContact CD2-CG2 4.49Å; L416-I691 HydrophobicContact CD1-CG2 3.88Å; L416-I691 HydrophobicContact CD2-CB 4.29Å; L416-I691 HydrophobicContact CD2-CG1 4.18Å; L416-I691 HydrophobicContact CD2-CG2 3.81Å; L416-I699 HydrophobicContact CD1-CG2 4.42Å; L416-L711 HydrophobicContact CD1-CD1 4.18Å
417	I	98.4	Very high	96.9	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.9	172.7	-170.7	171.3	0	0	0	111	L408 H409 L411 V424 V425 L426 I447 I449 V456 W476	L408-I417 WeakPolarHBondContact CA-O 3.43Å; H409-I417 HydrophobicContact CB-CG2 3.8Å; H409-I417 PolarHBondContact N-O 2.79Å; H409-I417 PolarHBondContact O-N 3.45Å; L411-I417 HydrophobicContact CD1-CB 4.04Å; L411-I417 HydrophobicContact CD1-CD1 4.35Å; L411-I417 HydrophobicContact CD1-CG2 4.08Å; L411-I417 HydrophobicContact CD2-CG2 3.9Å; L411-I417 HydrophobicContact CG-CB 4.21Å; L411-I417 HydrophobicContact CG-CG2 3.78Å; I417-V424 HydrophobicContact CD1-CG1 4.09Å; I417-V424 HydrophobicContact CG1-CG1 3.76Å; I417-V425 WeakPolarHBondContact CA-O 3.48Å; I417-L426 HydrophobicContact CD1-CD2 4.47Å; I417-L426 HydrophobicContact CD1-CG 4.31Å; I417-L426 HydrophobicContact CG1-CG 4.29Å; I417-I447 HydrophobicContact CD1-CD1 3.81Å; I417-I447 HydrophobicContact CG1-CD1 3.82Å; I417-I449 HydrophobicContact CD1-CD1 4.36Å; I417-I449 HydrophobicContact CG2-CD1 3.92Å; I417-V456 HydrophobicContact CD1-CG1 4.09Å; I417-V456 HydrophobicContact CD1-CG2 3.99Å; I417-W476 HydrophobicContact CD1-CH2 3.69Å; I417-W476 HydrophobicContact CD1-CZ2 4.14Å
418	Y	98.6	Very high	96.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	179.8	178.9	62.8	-86.9	0	0	0	110.9	Y399 N407 L408 L416 V424 V425 Y427 I699	Y399-Y418 AromaticContact CD2-CD2 3.91Å; Y399-Y418 HydrophobicContact CD2-CD2 3.91Å; Y399-Y418 HydrophobicContact CD2-CG 4.21Å; Y399-Y418 HydrophobicContact CG-CD2 4.49Å; N407-Y418 VanDerWaalsContact O-CA 3.32Å; N407-Y418 WeakPolarHBondContact O-CA 3.36Å; N407-Y418 VanDerWaalsContact O-CB 3.27Å; N407-Y418 WeakPolarHBondContact O-CB 3.28Å; L408-Y418 HydrophobicContact CD1-CD1 3.96Å; L408-Y418 HydrophobicContact CD1-CG 4.18Å; L416-Y418 HydrophobicContact CB-CD1 4.38Å; Y418-V424 CarbonylContact O-C 3.48Å; Y418-V424 WeakPolarHBondContact O-CA 3.44Å; Y418-V424 WeakPolarHBondContact O-CG1 3.41Å; Y418-V425 HydrophobicContact CD1-CB 4.49Å; Y418-V425 HydrophobicContact CD2-CB 4.25Å; Y418-V425 HydrophobicContact CD2-CG2 4.48Å; Y418-V425 HydrophobicContact CE1-CB 4.13Å; Y418-V425 HydrophobicContact CE1-CG1 4.07Å; Y418-V425 HydrophobicContact CE2-CB 3.88Å; Y418-V425 HydrophobicContact CE2-CG1 4.29Å; Y418-V425 HydrophobicContact CE2-CG2 3.99Å; Y418-V425 PolarHBondContact N-O 2.86Å; Y418-V425 VanDerWaalsContact N-O 3.07Å; Y418-V425 PolarHBondContact O-N 3.32Å; Y418-Y427 HydrophobicContact CE1-CD1 4.32Å; Y418-I699 HydrophobicContact CD1-CD1 3.79Å; Y418-I699 HydrophobicContact CD2-CD1 4.17Å; Y418-I699 HydrophobicContact CE1-CD1 3.71Å; Y418-I699 HydrophobicContact CE2-CD1 4.09Å; Y418-I699 HydrophobicContact CG-CD1 4.02Å
419	F	98.6	Very high	96.4	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	157.2	176.5	57.5	-109.8	0	0	0	113.5	R400 C404 N407 V423 V444 K445 I447	R400-F419 HydrophobicContact CB-CD2 4.27Å; R400-F419 HydrophobicContact CB-CE2 4.39Å; R400-F419 WeakPolarHBondContact CB-O 3.08Å; R400-F419 PolarHBondContact N-O 2.83Å; C404-F419 HydrophobicContact CB-CE2 3.89Å; C404-F419 HydrophobicContact CB-CZ 4.09Å; N407-F419 HydrophobicContact CB-CD1 4.09Å; N407-F419 HydrophobicContact CB-CE1 3.35Å; N407-F419 HydrophobicContact CB-CE2 4.14Å; N407-F419 HydrophobicContact CB-CZ 3.37Å; N407-F419 WeakPolarHBondContact ND2-CE2 3.5Å; F419-V423 VanDerWaalsContact CA-O 3.24Å; F419-V423 WeakPolarHBondContact CA-O 3.46Å; F419-V423 WeakPolarHBondContact CB-O 3.45Å; F419-V444 HydrophobicContact CB-CB 4.01Å; F419-V444 HydrophobicContact CB-CG1 3.95Å; F419-V444 HydrophobicContact CD1-CB 4.33Å; F419-V444 HydrophobicContact CD1-CG1 3.52Å; F419-V444 HydrophobicContact CD2-CB 4.02Å; F419-V444 HydrophobicContact CD2-CG1 4.06Å; F419-V444 WeakPolarHBondContact CD2-O 3.25Å; F419-V444 HydrophobicContact CE1-CG1 3.92Å; F419-V444 HydrophobicContact CE2-CG1 4.45Å; F419-V444 WeakPolarHBondContact CE2-O 3.31Å; F419-V444 HydrophobicContact CG-CB 3.88Å; F419-V444 HydrophobicContact CG-CG1 3.59Å; F419-V444 HydrophobicContact CZ-CG1 4.38Å; F419-K445 WeakPolarHBondContact CZ-O 3.29Å; F419-I447 HydrophobicContact CD1-CB 4.12Å; F419-I447 HydrophobicContact CD1-CG2 4.14Å; F419-I447 HydrophobicContact CE1-CB 3.95Å; F419-I447 HydrophobicContact CE1-CG2 3.8Å
420	V	98.3	Very high	96	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	149.6	168.4	69.1	0	0	0	0	108.1	I396 R400 A422 V423 A1026	I396-V420 HydrophobicContact CG2-CG1 3.43Å; I396-V420 VanDerWaalsContact CG2-CG1 3.43Å; R400-V420 HydrophobicContact CB-CB 4.43Å; R400-V420 HydrophobicContact CB-CG2 4.33Å; V420-A422 PolarHBondContact O-N 3.35Å; V420-V423 PolarHBondContact N-O 3.04Å; V420-V423 VanDerWaalsContact N-O 3.1Å; V420-V423 PolarHBondContact O-N 2.93Å; V420-V423 VanDerWaalsContact O-O 3.07Å; V420-A1026 HydrophobicContact CG1-CB 4.14Å; V420-A1026 HydrophobicContact CG2-CB 4.07Å
421	A	98.3	Very high	95.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.008	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	-131.4	-171	0	0	0	0	0	112.9	V444 G1000 S1002 D1024 A1026	A421-V444 PolarHBondContact O-N 3.12Å; A421-G1000 VanDerWaalsContact CB-O 3.22Å; A421-G1000 WeakPolarHBondContact CB-O 3.29Å; A421-S1002 WeakPolarHBondContact CA-OG 3.49Å; A421-D1024 HydrophobicContact CB-CB 3.69Å; A421-D1024 WeakPolarHBondContact CB-OD2 3.33Å; A421-A1026 HydrophobicContact CB-CB 4.07Å
422	A	98.2	Very high	95.6	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.017	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	16.9	174.9	0	0	0	0	0	113.5	V420 H440 D442 G1000	V420-A422 PolarHBondContact O-N 3.35Å; A422-H440 WeakPolarHBondContact O-CB 3.33Å; A422-D442 WeakPolarHBondContact CA-O 3.35Å; A422-D442 WeakPolarHBondContact CB-O 3.42Å; A422-G1000 WeakPolarHBondContact CB-O 3.42Å; A422-G1000 PolarHBondContact N-O 2.92Å
423	V	98.7	Very high	95.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137	-171.8	-174.8	0	0	0	0	112.3	I396 F419 V420 V425 H436 L438 G1000	I396-V423 HydrophobicContact CD1-CB 3.64Å; I396-V423 HydrophobicContact CD1-CG1 3.54Å; I396-V423 HydrophobicContact CD1-CG2 3.75Å; F419-V423 VanDerWaalsContact CA-O 3.24Å; F419-V423 WeakPolarHBondContact CA-O 3.46Å; F419-V423 WeakPolarHBondContact CB-O 3.45Å; V420-V423 PolarHBondContact N-O 3.04Å; V420-V423 VanDerWaalsContact N-O 3.1Å; V420-V423 PolarHBondContact O-N 2.93Å; V420-V423 VanDerWaalsContact O-O 3.07Å; V423-V425 HydrophobicContact CG1-CG2 4.33Å; V423-H436 HydrophobicContact CG1-CB 3.9Å; V423-L438 HydrophobicContact CB-CD2 4.18Å; V423-L438 HydrophobicContact CG1-CD2 3.63Å; V423-L438 HydrophobicContact CG2-CD2 3.49Å; V423-L438 VanDerWaalsContact CG2-CD2 3.49Å; V423-G1000 VanDerWaalsContact CG2-CA 3.44Å; V423-G1000 WeakPolarHBondContact CG2-O 3.41Å
424	V	98.8	Very high	96.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.1	161.4	-159.5	0	0	0	0	108.5	I417 Y418 H436 Y437 V444 I447 T458 W476	I417-V424 HydrophobicContact CD1-CG1 4.09Å; I417-V424 HydrophobicContact CG1-CG1 3.76Å; Y418-V424 CarbonylContact O-C 3.48Å; Y418-V424 WeakPolarHBondContact O-CA 3.44Å; Y418-V424 WeakPolarHBondContact O-CG1 3.41Å; V424-H436 WeakPolarHBondContact O-CA 3.36Å; V424-Y437 HydrophobicContact CG2-CD1 3.99Å; V424-Y437 PolarHBondContact N-O 3Å; V424-Y437 PolarHBondContact O-N 3.13Å; V424-V444 HydrophobicContact CG2-CG2 4.49Å; V424-I447 HydrophobicContact CG1-CD1 3.91Å; V424-T458 HydrophobicContact CG2-CG2 3.84Å; V424-W476 HydrophobicContact CB-CH2 4.14Å; V424-W476 HydrophobicContact CB-CZ2 3.9Å; V424-W476 HydrophobicContact CG1-CH2 4Å; V424-W476 HydrophobicContact CG1-CZ2 3.82Å; V424-W476 HydrophobicContact CG2-CZ2 3.87Å
425	V	98.7	Very high	96.4	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	-99.8	133.2	179	-173.5	0	0	0	0	108.6	I396 I417 Y418 V423 Q434	I396-V425 HydrophobicContact CB-CG2 4.23Å; I396-V425 HydrophobicContact CD1-CG2 4.23Å; I396-V425 HydrophobicContact CG2-CG2 4.48Å; I417-V425 WeakPolarHBondContact CA-O 3.48Å; Y418-V425 HydrophobicContact CD1-CB 4.49Å; Y418-V425 HydrophobicContact CD2-CB 4.25Å; Y418-V425 HydrophobicContact CD2-CG2 4.48Å; Y418-V425 HydrophobicContact CE1-CB 4.13Å; Y418-V425 HydrophobicContact CE1-CG1 4.07Å; Y418-V425 HydrophobicContact CE2-CB 3.88Å; Y418-V425 HydrophobicContact CE2-CG1 4.29Å; Y418-V425 HydrophobicContact CE2-CG2 3.99Å; Y418-V425 PolarHBondContact N-O 2.86Å; Y418-V425 VanDerWaalsContact N-O 3.07Å; Y418-V425 PolarHBondContact O-N 3.32Å; V423-V425 HydrophobicContact CG1-CG2 4.33Å; V425-Q434 HydrophobicContact CG1-CB 4.34Å; V425-Q434 HydrophobicContact CG1-CG 3.76Å
426	L	98.5	Very high	96.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	111.9	165.3	-58	85.6	0	0	0	106.5	L411 E415 L416 I417 Q434 R435 W476 L481	L411-L426 HydrophobicContact CD1-CD2 4.21Å; E415-L426 HydrophobicContact CB-CB 4.39Å; E415-L426 WeakPolarHBondContact OE1-CB 3.33Å; L416-L426 CarbonylContact O-C 3.58Å; L416-L426 WeakPolarHBondContact O-CA 3.45Å; I417-L426 HydrophobicContact CD1-CD2 4.47Å; I417-L426 HydrophobicContact CD1-CG 4.31Å; I417-L426 HydrophobicContact CG1-CG 4.29Å; L426-Q434 CarbonylContact O-C 3.55Å; L426-Q434 VanDerWaalsContact O-CA 3.3Å; L426-Q434 WeakPolarHBondContact O-CA 3.47Å; L426-R435 HydrophobicContact CB-CB 4.4Å; L426-R435 PolarHBondContact N-O 2.88Å; L426-R435 PolarHBondContact O-N 3.14Å; L426-W476 HydrophobicContact CD1-CH2 4.01Å; L426-W476 HydrophobicContact CD1-CZ3 4.16Å; L426-L481 HydrophobicContact CD1-CD2 3.86Å; L426-L481 HydrophobicContact CD2-CD2 4.19Å
427	Y	97.7	Very high	96.5	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	111.6	-173.6	170.7	-155.7	0	0	0	109.8	W395 E415 L416 Y418 I429 Q432 Q434	W395-Y427 AromaticContact CH2-CD2 3.97Å; W395-Y427 HydrophobicContact CH2-CD2 3.97Å; W395-Y427 AromaticContact CH2-CE2 3.69Å; W395-Y427 HydrophobicContact CH2-CE2 3.69Å; W395-Y427 HydrophobicContact CZ2-CE2 4.19Å; E415-Y427 CarbonylContact C-O 3.45Å; E415-Y427 WeakPolarHBondContact CA-O 3.16Å; L416-Y427 PolarHBondContact N-O 2.76Å; L416-Y427 PolarHBondContact O-N 2.99Å; Y418-Y427 HydrophobicContact CE1-CD1 4.32Å; Y427-I429 PolarHBondContact O-N 3.16Å; Y427-Q432 PolarHBondContact OH-NE2 2.76Å; Y427-Q434 HydrophobicContact CD2-CG 4.28Å; Y427-Q434 HydrophobicContact CG-CG 4.37Å
428	N	95.5	Very high	96.5	Very high	16 Å²	16	31 Å²	31	9%	0.086	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	113.6	169.3	-172.3	-19	0	0	0	109.2	E415 E430 E431 Q432 C433	E415-N428 HydrophobicContact CG-CB 4.28Å; N428-E430 PolarHBondContact OD1-N 2.83Å; N428-E431 HydrophobicContact CB-CB 4.13Å; N428-E431 VanDerWaalsContact ND2-CG 3.26Å; N428-E431 WeakPolarHBondContact ND2-CG 3.26Å; N428-E431 PolarHBondContact ND2-OE2 2.86Å; N428-E431 PolarHBondContact OD1-N 3.03Å; N428-Q432 WeakPolarHBondContact O-CA 3.48Å; N428-Q432 PolarHBondContact O-N 2.97Å; N428-Q432 VanDerWaalsContact O-N 3.11Å; N428-C433 PolarHBondContact N-O 2.86Å; N428-C433 PolarHBondContact O-N 3.34Å
429	I	88.7	Confident	96.4	Very high	28 Å²	28	35.3 Å²	35.3	14%	0.144	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-40	-178.1	-54.4	166.9	0	0	0	110.6	L416 Y427 Q432 I691 L711	L416-I429 HydrophobicContact CD1-CD1 3.77Å; L416-I429 HydrophobicContact CD1-CG1 4.09Å; L416-I429 HydrophobicContact CG-CD1 4.06Å; L416-I429 HydrophobicContact CG-CG1 4.42Å; Y427-I429 PolarHBondContact O-N 3.16Å; I429-Q432 PolarHBondContact O-NE2 2.87Å; I429-I691 HydrophobicContact CD1-CD1 4.34Å; I429-L711 HydrophobicContact CD1-CD1 3.86Å; I429-L711 HydrophobicContact CG1-CD1 4.3Å; I429-L711 HydrophobicContact CG2-CD2 3.93Å
430	E	89.1	Confident	96.4	Very high	170 Å²	170	35.4 Å²	35.4	79%	0.794	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-38.5	-174.8	-61.9	-172.7	178.7	0	0	112.1	N428	N428-E430 PolarHBondContact OD1-N 2.83Å
431	E	91.4	Very high	96.3	Very high	138 Å²	138	36.1 Å²	36.1	65%	0.645	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-9.2	177.1	-68.9	176.5	168.3	0	0	113.7	N428 C433	N428-E431 HydrophobicContact CB-CB 4.13Å; N428-E431 VanDerWaalsContact ND2-CG 3.26Å; N428-E431 WeakPolarHBondContact ND2-CG 3.26Å; N428-E431 PolarHBondContact ND2-OE2 2.86Å; N428-E431 PolarHBondContact OD1-N 3.03Å; E431-C433 HydrophobicContact CB-CB 4.08Å; E431-C433 PolarHBondContact O-N 2.76Å; E431-C433 PolarHBondContact OE2-SG 3.02Å
432	Q	91.3	Very high	96.3	Very high	79 Å²	79	37.1 Å²	37.1	37%	0.369	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	42.4	-169	-69.8	-68.1	-76.9	0	0	112.3	W395 Y427 N428 I429	W395-Q432 WeakPolarHBondContact CZ3-O 3.45Å; Y427-Q432 PolarHBondContact OH-NE2 2.76Å; N428-Q432 WeakPolarHBondContact O-CA 3.48Å; N428-Q432 PolarHBondContact O-N 2.97Å; N428-Q432 VanDerWaalsContact O-N 3.11Å; I429-Q432 PolarHBondContact O-NE2 2.87Å
433	C	95	Very high	96.2	Very high	41 Å²	41	38.5 Å²	38.5	28%	0.277	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	148.4	-176	90.5	0	0	0	0	111.4	N428 E431	N428-C433 PolarHBondContact N-O 2.86Å; N428-C433 PolarHBondContact O-N 3.34Å; E431-C433 HydrophobicContact CB-CB 4.08Å; E431-C433 PolarHBondContact O-N 2.76Å; E431-C433 PolarHBondContact OE2-SG 3.02Å
434	Q	97.6	Very high	96.2	Very high	21 Å²	21	38.5 Å²	38.5	10%	0.098	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	147.6	172.3	-79.4	-177.2	9.4	0	0	111.3	W395 I396 V425 L426 Y427 H436	W395-Q434 VanDerWaalsContact CD2-CD 3.48Å; W395-Q434 HydrophobicContact CD2-CG 3.97Å; W395-Q434 HydrophobicContact CE3-CB 3.85Å; W395-Q434 HydrophobicContact CE3-CG 3.61Å; W395-Q434 HydrophobicContact CH2-CG 3.89Å; W395-Q434 HydrophobicContact CZ2-CG 4.19Å; W395-Q434 HydrophobicContact CZ3-CB 4.03Å; W395-Q434 HydrophobicContact CZ3-CG 3.59Å; I396-Q434 PolarHBondContact O-NE2 2.91Å; V425-Q434 HydrophobicContact CG1-CB 4.34Å; V425-Q434 HydrophobicContact CG1-CG 3.76Å; L426-Q434 CarbonylContact O-C 3.55Å; L426-Q434 VanDerWaalsContact O-CA 3.3Å; L426-Q434 WeakPolarHBondContact O-CA 3.47Å; Y427-Q434 HydrophobicContact CD2-CG 4.28Å; Y427-Q434 HydrophobicContact CG-CG 4.37Å; Q434-H436 PolarHBondContact OE1-NE2 2.94Å
435	R	98	Very high	96.2	Very high	70 Å²	70	40 Å²	40	26%	0.264	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	150.1	166.1	-47.3	-172.4	-63.8	132.8	-2.6	109	E415 L426 S478 V479 L481	E415-R435 VanDerWaalsContact CD-NH2 3.28Å; E415-R435 IonicContact OE1-CZ 3.88Å; E415-R435 IonicContact OE1-NE 3.71Å; E415-R435 PolarHBondContact OE1-NE 2.91Å; E415-R435 IonicContact OE1-NH2 3.38Å; E415-R435 PolarHBondContact OE1-NH2 2.88Å; E415-R435 IonicContact OE2-NH2 3.24Å; E415-R435 PolarHBondContact OE2-NH2 2.93Å; L426-R435 HydrophobicContact CB-CB 4.4Å; L426-R435 PolarHBondContact N-O 2.88Å; L426-R435 PolarHBondContact O-N 3.14Å; R435-S478 PolarHBondContact NH1-O 3.29Å; R435-S478 PolarHBondContact NH2-O 3.42Å; R435-V479 PolarHBondContact NH1-O 2.84Å; R435-L481 HydrophobicContact CB-CD1 4.12Å
436	H	98.5	Very high	96.2	Very high	26 Å²	26	40.3 Å²	40.3	12%	0.12	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	131.1	-166.8	-48.4	93.7	0	0	0	112.6	L393 V423 V424 Q434 L438	L393-H436 HydrophobicContact CD2-CB 3.85Å; L393-H436 VanDerWaalsContact CD2-CG 3.46Å; V423-H436 HydrophobicContact CG1-CB 3.9Å; V424-H436 WeakPolarHBondContact O-CA 3.36Å; Q434-H436 PolarHBondContact OE1-NE2 2.94Å; H436-L438 HydrophobicContact CB-CD1 4.46Å; H436-L438 HydrophobicContact CB-CD2 3.84Å; H436-L438 HydrophobicContact CB-CG 3.98Å
437	Y	98.6	Very high	96.2	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	106.9	168.5	-176.3	-111	0	0	0	109.2	V424 E439 H440 R474 W476 L481 T483	V424-Y437 HydrophobicContact CG2-CD1 3.99Å; V424-Y437 PolarHBondContact N-O 3Å; V424-Y437 PolarHBondContact O-N 3.13Å; Y437-E439 HydrophobicContact CD1-CB 4.39Å; Y437-E439 HydrophobicContact CD2-CB 4.35Å; Y437-E439 HydrophobicContact CD2-CG 4.32Å; Y437-E439 HydrophobicContact CE1-CB 3.83Å; Y437-E439 HydrophobicContact CE2-CB 3.76Å; Y437-E439 HydrophobicContact CE2-CG 3.71Å; Y437-E439 VanDerWaalsContact CZ-CB 3.47Å; Y437-H440 AromaticContact CE1-CD2 3.98Å; Y437-R474 HydrophobicContact CE1-CB 4.32Å; Y437-R474 WeakPolarHBondContact OH-CD 3.45Å; Y437-W476 AromaticContact CD1-CD2 4Å; Y437-W476 HydrophobicContact CD1-CD2 4Å; Y437-W476 AromaticContact CD1-CE2 3.68Å; Y437-W476 HydrophobicContact CD1-CG 4.24Å; Y437-W476 HydrophobicContact CD1-CZ2 4.08Å; Y437-W476 AromaticContact CD1-NE1 3.71Å; Y437-W476 HydrophobicContact CD2-CB 4.41Å; Y437-W476 AromaticContact CD2-CD2 3.87Å; Y437-W476 HydrophobicContact CD2-CD2 3.87Å; Y437-W476 AromaticContact CD2-CE3 3.92Å; Y437-W476 HydrophobicContact CD2-CE3 3.92Å; Y437-W476 HydrophobicContact CD2-CG 4.11Å; Y437-W476 HydrophobicContact CD2-CZ3 4.47Å; Y437-W476 AromaticContact CE1-CD1 3.46Å; Y437-W476 VanDerWaalsContact CE1-CD1 3.46Å; Y437-W476 HydrophobicContact CE1-CD2 4.08Å; Y437-W476 AromaticContact CE1-CE2 3.93Å; Y437-W476 AromaticContact CE1-CG 3.82Å; Y437-W476 HydrophobicContact CE1-CG 3.82Å; Y437-W476 AromaticContact CE1-NE1 3.52Å; Y437-W476 HydrophobicContact CE2-CB 3.69Å; Y437-W476 AromaticContact CE2-CD2 3.97Å; Y437-W476 HydrophobicContact CE2-CD2 3.97Å; Y437-W476 HydrophobicContact CE2-CE3 4.36Å; Y437-W476 AromaticContact CE2-CG 3.69Å; Y437-W476 HydrophobicContact CE2-CG 3.69Å; Y437-W476 AromaticContact CG-CD2 3.89Å; Y437-W476 HydrophobicContact CG-CD2 3.89Å; Y437-W476 AromaticContact CG-CE2 3.93Å; Y437-W476 HydrophobicContact CG-CE3 4.07Å; Y437-W476 HydrophobicContact CG-CG 4.37Å; Y437-W476 HydrophobicContact CG-CH2 4.34Å; Y437-W476 HydrophobicContact CG-CZ2 4.18Å; Y437-W476 HydrophobicContact CG-CZ3 4.29Å; Y437-W476 AromaticContact CZ-CD1 3.52Å; Y437-W476 AromaticContact CZ-CG 3.52Å; Y437-L481 WeakPolarHBondContact CD2-O 3.48Å; Y437-L481 WeakPolarHBondContact CE2-O 3.44Å; Y437-T483 PolarHBondContact OH-OG1 2.73Å
438	L	97.6	Very high	96.2	Very high	57 Å²	57	41.2 Å²	41.2	30%	0.298	20%	0.201	S	C	.	.			trans	-106.2	18.3	-167.5	-59	177.7	0	0	0	114.2	L393 V423 H436	L393-L438 HydrophobicContact CB-CD1 4.41Å; L393-L438 HydrophobicContact CD2-CD1 4.17Å; L393-L438 HydrophobicContact CD2-CD2 3.69Å; L393-L438 HydrophobicContact CD2-CG 4.49Å; V423-L438 HydrophobicContact CB-CD2 4.18Å; V423-L438 HydrophobicContact CG1-CD2 3.63Å; V423-L438 HydrophobicContact CG2-CD2 3.49Å; V423-L438 VanDerWaalsContact CG2-CD2 3.49Å; H436-L438 HydrophobicContact CB-CD1 4.46Å; H436-L438 HydrophobicContact CB-CD2 3.84Å; H436-L438 HydrophobicContact CB-CG 3.98Å
439	E	97.3	Very high	96.4	Very high	90 Å²	90	41.4 Å²	41.4	42%	0.421	20%	0.202	S	C	.	.			trans	-87.1	-15.9	-170.9	-83.5	-82.3	114	0	0	113.8	Y437 R474 T483	Y437-E439 HydrophobicContact CD1-CB 4.39Å; Y437-E439 HydrophobicContact CD2-CB 4.35Å; Y437-E439 HydrophobicContact CD2-CG 4.32Å; Y437-E439 HydrophobicContact CE1-CB 3.83Å; Y437-E439 HydrophobicContact CE2-CB 3.76Å; Y437-E439 HydrophobicContact CE2-CG 3.71Å; Y437-E439 VanDerWaalsContact CZ-CB 3.47Å; E439-R474 PolarHBondContact O-NE 3.33Å; E439-R474 VanDerWaalsContact O-NE 3.14Å; E439-R474 PolarHBondContact O-NH2 3.45Å; E439-R474 IonicContact OE2-CZ 3.17Å; E439-R474 IonicContact OE2-NH1 3.03Å; E439-R474 PolarHBondContact OE2-NH1 3.34Å; E439-R474 IonicContact OE2-NH2 2.76Å; E439-T483 PolarHBondContact OE2-OG1 3.11Å
440	H	98	Very high	96.8	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.198	C	C	.	.			trans	-76.3	147	171.4	-77.5	-71.3	0	0	0	110.9	A422 Y437 V444 T458 Q460 H472	A422-H440 WeakPolarHBondContact O-CB 3.33Å; Y437-H440 AromaticContact CE1-CD2 3.98Å; H440-V444 HydrophobicContact CB-CG2 4.04Å; H440-T458 WeakPolarHBondContact NE2-CB 3.05Å; H440-T458 PolarHBondContact NE2-OG1 2.91Å; H440-Q460 HydrophobicContact CB-CG 4.38Å; H440-Q460 PolarHBondContact ND1-OE1 3.32Å; H440-H472 AromaticContact ND1-NE2 3.97Å
441	T	96.5	Very high	97.2	Very high	16 Å²	16	34.9 Å²	34.9	10%	0.098	18%	0.175	C	C	.	.	S	Bend	trans	-106.4	-5.6	-176.6	59.7	0	0	0	0	113.7	Q460 D465 F468	T441-Q460 PolarHBondContact OG1-NE2 3.27Å; T441-D465 HydrophobicContact CG2-CB 4.05Å; T441-F468 HydrophobicContact CG2-CB 3.89Å; T441-F468 PolarHBondContact OG1-O 3.21Å
442	D	97.6	Very high	97.4	Very high	21 Å²	21	31.7 Å²	31.7	11%	0.112	16%	0.162	C	C	.	.	S	Bend	trans	-155.9	-177.3	-178.2	-152	-80	0	0	0	108.7	A422 V444 Q460 G463	A422-D442 WeakPolarHBondContact CA-O 3.35Å; A422-D442 WeakPolarHBondContact CB-O 3.42Å; D442-V444 PolarHBondContact O-N 3.03Å; D442-Q460 HydrophobicContact CB-CG 4.2Å; D442-Q460 WeakPolarHBondContact O-CG 3.47Å; D442-G463 WeakPolarHBondContact OD2-CA 3.32Å
443	D	98	Very high	97.6	Very high	31 Å²	31	34.9 Å²	34.9	17%	0.166	17%	0.171	C	C	.	.			trans	-42.3	121	-177.4	-92.1	-4.1	0	0	0	114.1	R400 K445 Q460 S461 S1002	R400-D443 IonicContact CZ-OD1 2.69Å; R400-D443 IonicContact CZ-OD2 2.67Å; R400-D443 VanDerWaalsContact CZ-OD2 3.29Å; R400-D443 IonicContact NH1-OD1 2.96Å; R400-D443 PolarHBondContact NH1-OD1 3.21Å; R400-D443 IonicContact NH1-OD2 3.6Å; R400-D443 PolarHBondContact NH1-OD2 3.23Å; R400-D443 IonicContact NH2-OD1 2.87Å; R400-D443 IonicContact NH2-OD2 3.08Å; R400-D443 PolarHBondContact NH2-OD2 3.33Å; D443-K445 HydrophobicContact CB-CD 4.29Å; D443-K445 HydrophobicContact CB-CG 4.26Å; D443-Q460 CarbonylContact O-C 3.58Å; D443-Q460 WeakPolarHBondContact O-CA 3.28Å; D443-Q460 WeakPolarHBondContact O-CG 3.5Å; D443-S461 PolarHBondContact O-N 2.85Å; D443-S1002 VanDerWaalsContact OD1-CB 3.25Å; D443-S1002 WeakPolarHBondContact OD1-CB 3.35Å; D443-S1002 PolarHBondContact OD1-OG 3.39Å
444	V	98.7	Very high	97.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126.5	162	-173.8	0	0	0	0	108.5	F419 A421 V424 H440 D442 T458	F419-V444 HydrophobicContact CB-CB 4.01Å; F419-V444 HydrophobicContact CB-CG1 3.95Å; F419-V444 HydrophobicContact CD1-CB 4.33Å; F419-V444 HydrophobicContact CD1-CG1 3.52Å; F419-V444 HydrophobicContact CD2-CB 4.02Å; F419-V444 HydrophobicContact CD2-CG1 4.06Å; F419-V444 WeakPolarHBondContact CD2-O 3.25Å; F419-V444 HydrophobicContact CE1-CG1 3.92Å; F419-V444 HydrophobicContact CE2-CG1 4.45Å; F419-V444 WeakPolarHBondContact CE2-O 3.31Å; F419-V444 HydrophobicContact CG-CB 3.88Å; F419-V444 HydrophobicContact CG-CG1 3.59Å; F419-V444 HydrophobicContact CZ-CG1 4.38Å; A421-V444 PolarHBondContact O-N 3.12Å; V424-V444 HydrophobicContact CG2-CG2 4.49Å; H440-V444 HydrophobicContact CB-CG2 4.04Å; D442-V444 PolarHBondContact O-N 3.03Å; V444-T458 HydrophobicContact CG1-CG2 4.25Å
445	K	98	Very high	97.8	Very high	31 Å²	31	36.3 Å²	36.3	14%	0.135	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-23.2	-173.6	-70	-65.9	-67.2	166.5	0	114.6	D403 C404 F419 D443 G459 S461 S495	D403-K445 IonicContact OD2-NZ 3.53Å; D403-K445 PolarHBondContact OD2-NZ 2.98Å; C404-K445 PolarHBondContact SG-NZ 2.82Å; F419-K445 WeakPolarHBondContact CZ-O 3.29Å; D443-K445 HydrophobicContact CB-CD 4.29Å; D443-K445 HydrophobicContact CB-CG 4.26Å; K445-G459 PolarHBondContact N-O 3.47Å; K445-S461 VanDerWaalsContact CG-OG 3.31Å; K445-S461 WeakPolarHBondContact CG-OG 3.41Å; K445-S495 WeakPolarHBondContact CG-OG 3.38Å
446	C	98.4	Very high	97.8	Very high	8 Å²	8	33 Å²	33	5%	0.054	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	158.2	173.1	60.8	0	0	0	0	112.7	T458 G459 V496 C497 L499	C446-T458 WeakPolarHBondContact O-CA 3.5Å; C446-G459 PolarHBondContact O-N 3.43Å; C446-V496 PolarHBondContact SG-O 3.22Å; C446-C497 WeakPolarHBondContact CB-O 3.43Å; C446-L499 VanDerWaalsContact SG-CG 3.58Å
447	I	98.7	Very high	97.8	Very high	11 Å²	11	31.7 Å²	31.7	6%	0.056	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	145	179.6	-172.8	164.2	0	0	0	109.9	N407 I417 F419 V424 I449 V456 A457 T458	N407-I447 HydrophobicContact CB-CG2 4.13Å; I417-I447 HydrophobicContact CD1-CD1 3.81Å; I417-I447 HydrophobicContact CG1-CD1 3.82Å; F419-I447 HydrophobicContact CD1-CB 4.12Å; F419-I447 HydrophobicContact CD1-CG2 4.14Å; F419-I447 HydrophobicContact CE1-CB 3.95Å; F419-I447 HydrophobicContact CE1-CG2 3.8Å; V424-I447 HydrophobicContact CG1-CD1 3.91Å; I447-I449 HydrophobicContact CD1-CD1 4.39Å; I447-I449 HydrophobicContact CG1-CD1 4.32Å; I447-V456 HydrophobicContact CD1-CG1 3.83Å; I447-V456 HydrophobicContact CG1-CG1 3.78Å; I447-A457 CarbonylContact C-O 3.58Å; I447-A457 VanDerWaalsContact CA-O 3.32Å; I447-A457 WeakPolarHBondContact CA-O 3.28Å; I447-T458 HydrophobicContact CB-CG2 3.88Å; I447-T458 HydrophobicContact CD1-CG2 3.87Å; I447-T458 HydrophobicContact CG1-CG2 3.63Å
448	A	98.5	Very high	97.8	Very high	9 Å²	9	31.6 Å²	31.6	7%	0.074	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	134.3	171.5	0	0	0	0	0	110.7	A457 L499 F501	A448-A457 PolarHBondContact N-O 3.09Å; A448-A457 PolarHBondContact O-N 3.44Å; A448-L499 HydrophobicContact CB-CB 3.73Å; A448-F501 HydrophobicContact CB-CD2 4.08Å; A448-F501 HydrophobicContact CB-CE2 4.4Å; A448-F501 WeakPolarHBondContact O-CE2 3.37Å
449	I	97.9	Very high	97.9	Very high	20 Å²	20	28.9 Å²	28.9	10%	0.103	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	132	174.8	-46	-55	0	0	0	109.2	H409 L411 I417 I447 V456	H409-I449 HydrophobicContact CB-CG1 4.2Å; L411-I449 HydrophobicContact CD2-CD1 4.38Å; L411-I449 HydrophobicContact CD2-CG2 4.31Å; I417-I449 HydrophobicContact CD1-CD1 4.36Å; I417-I449 HydrophobicContact CG2-CD1 3.92Å; I447-I449 HydrophobicContact CD1-CD1 4.39Å; I447-I449 HydrophobicContact CG1-CD1 4.32Å; I449-V456 HydrophobicContact CD1-CG1 4.11Å; I449-V456 HydrophobicContact CD1-CG2 4.1Å
450	H	98.4	Very high	97.9	Very high	13 Å²	13	24.6 Å²	24.6	6%	0.06	12%	0.123	C	C	.	.			trans	-75.5	157.4	178.2	-175.1	-109.1	0	0	0	111.2	D452 R453 T455 F501 S506 G507 W526	H450-D452 WeakPolarHBondContact CB-OD1 3.44Å; H450-D452 IonicContact CE1-OD2 2.71Å; H450-D452 IonicContact CG-OD1 3.21Å; H450-D452 IonicContact ND1-OD1 2.78Å; H450-D452 PolarHBondContact ND1-OD1 2.84Å; H450-D452 IonicContact ND1-OD2 3.65Å; H450-D452 PolarHBondContact ND1-OD2 3.3Å; H450-D452 PolarHBondContact O-N 2.94Å; H450-D452 VanDerWaalsContact O-N 3.13Å; H450-R453 PolarHBondContact O-N 2.85Å; H450-T455 HydrophobicContact CB-CG2 4.16Å; H450-T455 WeakPolarHBondContact CB-O 3.29Å; H450-T455 PolarHBondContact N-O 2.67Å; H450-F501 HydrophobicContact CB-CD2 3.8Å; H450-F501 HydrophobicContact CB-CE2 3.76Å; H450-F501 HydrophobicContact CB-CG 4.21Å; H450-F501 HydrophobicContact CB-CZ 4.15Å; H450-F501 AromaticContact CD2-CD1 3.57Å; H450-F501 AromaticContact CD2-CE1 3.75Å; H450-F501 AromaticContact CD2-CG 3.82Å; H450-S506 PolarHBondContact CE1-O 2.97Å; H450-S506 VanDerWaalsContact CE1-O 3.3Å; H450-S506 PolarHBondContact NE2-O 3.26Å; H450-G507 WeakPolarHBondContact NE2-CA 3.43Å; H450-G507 PolarHBondContact NE2-O 3.31Å; H450-W526 AromaticContact NE2-CZ2 3.75Å
451	P	96.9	Very high	97.9	Very high	48 Å²	48	25.4 Å²	25.4	31%	0.312	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.3	-178.4	-27.7	37.4	0	0	0	115.4	R453 S502 K503	P451-R453 PolarHBondContact O-N 3.46Å; P451-S502 VanDerWaalsContact CG-O 3.26Å; P451-S502 WeakPolarHBondContact CG-O 3.27Å; P451-K503 HydrophobicContact CG-CD 4.07Å
452	D	96.4	Very high	97.9	Very high	70 Å²	70	26.8 Å²	26.8	37%	0.374	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-10.2	174.9	68	1.7	0	0	0	114.5	H450 I454 T455	H450-D452 WeakPolarHBondContact CB-OD1 3.44Å; H450-D452 IonicContact CE1-OD2 2.71Å; H450-D452 IonicContact CG-OD1 3.21Å; H450-D452 IonicContact ND1-OD1 2.78Å; H450-D452 PolarHBondContact ND1-OD1 2.84Å; H450-D452 IonicContact ND1-OD2 3.65Å; H450-D452 PolarHBondContact ND1-OD2 3.3Å; H450-D452 PolarHBondContact O-N 2.94Å; H450-D452 VanDerWaalsContact O-N 3.13Å; D452-I454 PolarHBondContact O-N 2.93Å; D452-I454 PolarHBondContact OD1-N 2.89Å; D452-T455 PolarHBondContact OD1-N 3.32Å; D452-T455 WeakPolarHBondContact OD2-CB 3.48Å; D452-T455 PolarHBondContact OD2-OG1 3.18Å
453	R	95.9	Very high	97.7	Very high	147 Å²	147	26.7 Å²	26.7	56%	0.555	15%	0.146	S	C	*	.	S	Bend	trans	60.7	15	-174.6	-48.6	-58.7	-171.9	141.3	3	115.4	P412 H450 P451	P412-R453 HydrophobicContact CG-CB 3.7Å; P412-R453 HydrophobicContact CG-CG 3.99Å; H450-R453 PolarHBondContact O-N 2.85Å; P451-R453 PolarHBondContact O-N 3.46Å
454	I	97	Very high	97.2	Very high	80 Å²	80	29.7 Å²	29.7	41%	0.41	16%	0.158	S	C	.	.	S	Bend	trans	-120.3	-41.5	-180	-66.6	168.9	0	0	0	110.9	D452 S478 V479	D452-I454 PolarHBondContact O-N 2.93Å; D452-I454 PolarHBondContact OD1-N 2.89Å; I454-S478 WeakPolarHBondContact O-CB 3.49Å; I454-S478 PolarHBondContact O-N 3.09Å; I454-S478 PolarHBondContact O-OG 3.23Å; I454-S478 VanDerWaalsContact O-OG 3.1Å; I454-V479 HydrophobicContact CG2-CG2 4.01Å
455	T	98.5	Very high	96.8	Very high	11 Å²	11	32.7 Å²	32.7	7%	0.067	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	133.2	179.9	-56.3	0	0	0	0	109.9	H450 D452 I475 L484 F501 W526	H450-T455 HydrophobicContact CB-CG2 4.16Å; H450-T455 WeakPolarHBondContact CB-O 3.29Å; H450-T455 PolarHBondContact N-O 2.67Å; D452-T455 PolarHBondContact OD1-N 3.32Å; D452-T455 WeakPolarHBondContact OD2-CB 3.48Å; D452-T455 PolarHBondContact OD2-OG1 3.18Å; T455-I475 HydrophobicContact CG2-CG2 3.49Å; T455-I475 VanDerWaalsContact CG2-CG2 3.49Å; T455-L484 HydrophobicContact CG2-CD1 4.29Å; T455-F501 HydrophobicContact CG2-CZ 4.31Å; T455-W526 HydrophobicContact CG2-CH2 3.92Å; T455-W526 HydrophobicContact CG2-CZ2 4.23Å; T455-W526 HydrophobicContact CG2-CZ3 4.43Å
456	V	98.8	Very high	96.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.7	-178.6	-175.7	0	0	0	0	109.2	I417 I447 I449 T458 I475 W476	I417-V456 HydrophobicContact CD1-CG1 4.09Å; I417-V456 HydrophobicContact CD1-CG2 3.99Å; I447-V456 HydrophobicContact CD1-CG1 3.83Å; I447-V456 HydrophobicContact CG1-CG1 3.78Å; I449-V456 HydrophobicContact CD1-CG1 4.11Å; I449-V456 HydrophobicContact CD1-CG2 4.1Å; V456-T458 HydrophobicContact CG1-CG2 4.34Å; V456-I475 CarbonylContact O-C 3.58Å; V456-I475 VanDerWaalsContact O-CA 3.28Å; V456-I475 WeakPolarHBondContact O-CA 3.31Å; V456-W476 HydrophobicContact CB-CD2 4.04Å; V456-W476 HydrophobicContact CB-CE3 4.45Å; V456-W476 HydrophobicContact CB-CH2 4.31Å; V456-W476 HydrophobicContact CB-CZ2 3.87Å; V456-W476 HydrophobicContact CG1-CD2 4.48Å; V456-W476 HydrophobicContact CG1-CH2 4.21Å; V456-W476 HydrophobicContact CG1-CZ2 3.5Å; V456-W476 VanDerWaalsContact CG1-CZ2 3.5Å; V456-W476 HydrophobicContact CG2-CH2 4.38Å; V456-W476 HydrophobicContact CG2-CZ2 4.4Å; V456-W476 PolarHBondContact N-O 3.46Å; V456-W476 PolarHBondContact O-N 3.17Å
457	A	98.8	Very high	96.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.5	168.6	0	0	0	0	0	110.8	I447 A448 V473 R474 I475 L499 F501 L510	I447-A457 CarbonylContact C-O 3.58Å; I447-A457 VanDerWaalsContact CA-O 3.32Å; I447-A457 WeakPolarHBondContact CA-O 3.28Å; A448-A457 PolarHBondContact N-O 3.09Å; A448-A457 PolarHBondContact O-N 3.44Å; A457-V473 HydrophobicContact CB-CG1 4.23Å; A457-R474 CarbonylContact C-O 3.49Å; A457-R474 VanDerWaalsContact CA-O 3.29Å; A457-R474 WeakPolarHBondContact CA-O 3.44Å; A457-I475 HydrophobicContact CB-CG1 3.98Å; A457-L499 HydrophobicContact CB-CD1 4.2Å; A457-F501 HydrophobicContact CB-CE2 3.58Å; A457-F501 HydrophobicContact CB-CZ 3.55Å; A457-L510 HydrophobicContact CB-CD1 4.27Å; A457-L510 HydrophobicContact CB-CD2 3.8Å
458	T	98.9	Very high	95.9	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	137.1	178.1	42	0	0	0	0	112.4	V424 H440 V444 C446 I447 V456 V473 R474 W476	V424-T458 HydrophobicContact CG2-CG2 3.84Å; H440-T458 WeakPolarHBondContact NE2-CB 3.05Å; H440-T458 PolarHBondContact NE2-OG1 2.91Å; V444-T458 HydrophobicContact CG1-CG2 4.25Å; C446-T458 WeakPolarHBondContact O-CA 3.5Å; I447-T458 HydrophobicContact CB-CG2 3.88Å; I447-T458 HydrophobicContact CD1-CG2 3.87Å; I447-T458 HydrophobicContact CG1-CG2 3.63Å; V456-T458 HydrophobicContact CG1-CG2 4.34Å; T458-V473 WeakPolarHBondContact O-CA 3.42Å; T458-R474 PolarHBondContact N-O 2.91Å; T458-R474 PolarHBondContact O-N 3.47Å; T458-W476 HydrophobicContact CG2-CZ2 4.38Å; T458-W476 PolarHBondContact OG1-NE1 2.93Å
459	G	98.6	Very high	95.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	138.3	-176.5	0	0	0	0	0	112.7	K445 C446	K445-G459 PolarHBondContact N-O 3.47Å; C446-G459 PolarHBondContact O-N 3.43Å
460	Q	98.3	Very high	95.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	152.7	-174.3	-153.9	-168.5	-87.1	0	0	113.3	H440 T441 D442 D443 F468 H472 V496	H440-Q460 HydrophobicContact CB-CG 4.38Å; H440-Q460 PolarHBondContact ND1-OE1 3.32Å; T441-Q460 PolarHBondContact OG1-NE2 3.27Å; D442-Q460 HydrophobicContact CB-CG 4.2Å; D442-Q460 WeakPolarHBondContact O-CG 3.47Å; D443-Q460 CarbonylContact O-C 3.58Å; D443-Q460 WeakPolarHBondContact O-CA 3.28Å; D443-Q460 WeakPolarHBondContact O-CG 3.5Å; Q460-F468 PolarHBondContact NE2-O 2.85Å; Q460-H472 PolarHBondContact N-O 3.33Å; Q460-H472 VanDerWaalsContact N-O 3.09Å; Q460-H472 PolarHBondContact OE1-CE1 2.91Å; Q460-V496 PolarHBondContact O-N 2.92Å
461	S	97.5	Very high	95.6	Very high	17 Å²	17	53.9 Å²	53.9	12%	0.119	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-70.5	164.7	160.1	-65.9	0	0	0	0	114.4	D443 K445 S495	D443-S461 PolarHBondContact O-N 2.85Å; K445-S461 VanDerWaalsContact CG-OG 3.31Å; K445-S461 WeakPolarHBondContact CG-OG 3.41Å; S461-S495 WeakPolarHBondContact CA-OG 3.17Å; S461-S495 PolarHBondContact N-OG 2.87Å; S461-S495 PolarHBondContact OG-OG 3.1Å
462	A	96.5	Very high	95.6	Very high	46 Å²	46	51.6 Å²	51.6	38%	0.38	25%	0.253	S	S	.	.			trans	-70.6	140.2	162	0	0	0	0	0	110.4	G469 P471 R494	A462-G469 CarbonylContact C-O 2.96Å; A462-G469 WeakPolarHBondContact CA-O 3.35Å; A462-P471 HydrophobicContact CB-CG 3.81Å; A462-R494 WeakPolarHBondContact CB-O 3.35Å; A462-R494 PolarHBondContact N-O 3.45Å
463	G	93.1	Very high	95.7	Very high	19 Å²	19	48.3 Å²	48.3	20%	0.196	24%	0.235	C	C	.	.			trans	-149.2	-171.5	-173	0	0	0	0	0	113.6	D442 G469	D442-G463 WeakPolarHBondContact OD2-CA 3.32Å; G463-G469 PolarHBondContact N-O 3.05Å
464	H	87.3	Confident	95.9	Very high	93 Å²	93	41.5 Å²	41.5	43%	0.431	21%	0.21	S	C	.	.	S	Bend	trans	-89.5	-4.1	-173.3	-62	-38.9	0	0	0	115.2	D35 R38 Y978	D35-H464 VanDerWaalsContact CB-CE1 3.45Å; D35-H464 WeakPolarHBondContact CB-CE1 3.35Å; D35-H464 IonicContact OD1-CE1 3.53Å; D35-H464 PolarHBondContact OD1-CE1 3.05Å; D35-H464 IonicContact OD1-ND1 3.08Å; D35-H464 IonicContact OD2-CE1 2.74Å; R38-H464 PolarHBondContact NH2-NE2 3.03Å; H464-Y978 HydrophobicContact CB-CD1 4.36Å
465	D	91	Very high	96	Very high	64 Å²	64	37.7 Å²	37.7	34%	0.342	19%	0.19	S	C	.	.			trans	-69.3	139.1	-179.6	-178.5	-95.1	0	0	0	113.3	T441 Q467 F468 G469	T441-D465 HydrophobicContact CG2-CB 4.05Å; D465-Q467 VanDerWaalsContact C-N 3.32Å; D465-Q467 PolarHBondContact O-N 2.87Å; D465-Q467 PolarHBondContact OD1-N 2.85Å; D465-F468 PolarHBondContact OD1-N 3.11Å; D465-G469 VanDerWaalsContact O-CA 3.28Å; D465-G469 WeakPolarHBondContact O-CA 2.97Å; D465-G469 PolarHBondContact O-N 3Å; D465-G469 VanDerWaalsContact O-N 3.11Å
466	K	89.3	Confident	96	Very high	204 Å²	204	37.2 Å²	37.2	89%	0.887	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-17.2	-171.1	-66.4	175.9	-179.4	172.7	0	114.4
467	Q	92	Very high	96	Very high	142 Å²	142	37.8 Å²	37.8	66%	0.664	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120	-40.9	-176.5	-175.5	173.7	-15.5	0	0	112.8	D465	D465-Q467 VanDerWaalsContact C-N 3.32Å; D465-Q467 PolarHBondContact O-N 2.87Å; D465-Q467 PolarHBondContact OD1-N 2.85Å
468	F	93.9	Very high	95.9	Very high	46 Å²	46	37.9 Å²	37.9	20%	0.202	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	5.9	-175	-60.7	-71.6	0	0	0	113.8	T441 Q460 D465 K470 H472 I486 L489	T441-F468 HydrophobicContact CG2-CB 3.89Å; T441-F468 PolarHBondContact OG1-O 3.21Å; Q460-F468 PolarHBondContact NE2-O 2.85Å; D465-F468 PolarHBondContact OD1-N 3.11Å; F468-K470 PolarHBondContact O-N 3.39Å; F468-K470 VanDerWaalsContact O-N 3.13Å; F468-K470 VanDerWaalsContact O-O 3.12Å; F468-H472 PolarHBondContact O-CE1 3.12Å; F468-H472 PolarHBondContact O-ND1 3.02Å; F468-I486 HydrophobicContact CD1-CD1 4.36Å; F468-I486 HydrophobicContact CE1-CD1 3.74Å; F468-I486 HydrophobicContact CZ-CD1 4.37Å; F468-L489 HydrophobicContact CD1-CD1 4.33Å; F468-L489 HydrophobicContact CD1-CD2 4.02Å; F468-L489 HydrophobicContact CE1-CD2 4.11Å
469	G	92.8	Very high	95.8	Very high	7 Å²	7	42.1 Å²	42.1	7%	0.072	22%	0.217	C	C	.	.			trans	-69.8	2.3	173.5	0	0	0	0	0	115.1	A462 G463 D465	A462-G469 CarbonylContact C-O 2.96Å; A462-G469 WeakPolarHBondContact CA-O 3.35Å; G463-G469 PolarHBondContact N-O 3.05Å; D465-G469 VanDerWaalsContact O-CA 3.28Å; D465-G469 WeakPolarHBondContact O-CA 2.97Å; D465-G469 PolarHBondContact O-N 3Å; D465-G469 VanDerWaalsContact O-N 3.11Å
470	K	97	Very high	95.6	Very high	130 Å²	130	45.5 Å²	45.5	57%	0.565	24%	0.236	S	C	*	.	S	Bend	trans	-86.6	147.4	165.2	-68	-165.2	-178.7	-174.4	0	110.2	F468 H472 L489	F468-K470 PolarHBondContact O-N 3.39Å; F468-K470 VanDerWaalsContact O-N 3.13Å; F468-K470 VanDerWaalsContact O-O 3.12Å; K470-H472 PolarHBondContact O-N 2.92Å; K470-H472 PolarHBondContact O-ND1 2.91Å; K470-L489 HydrophobicContact CB-CD1 4.14Å
471	P	98.3	Very high	95.6	Very high	8 Å²	8	47.5 Å²	47.5	5%	0.052	25%	0.246	C	C	.	.			trans	-53.8	135.6	172.7	-22.3	33.1	0	0	0	110.7	A462 F492 R494 V496	A462-P471 HydrophobicContact CB-CG 3.81Å; P471-F492 HydrophobicContact CB-CB 3.92Å; P471-R494 WeakPolarHBondContact CG-O 3.43Å; P471-V496 HydrophobicContact CB-CG2 4.46Å
472	H	98.5	Very high	95.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.267	C	S	.	.			trans	-159	165	-179	64	-87.3	0	0	0	109.8	H440 Q460 F468 K470 R474 I486 L489	H440-H472 AromaticContact ND1-NE2 3.97Å; Q460-H472 PolarHBondContact N-O 3.33Å; Q460-H472 VanDerWaalsContact N-O 3.09Å; Q460-H472 PolarHBondContact OE1-CE1 2.91Å; F468-H472 PolarHBondContact O-CE1 3.12Å; F468-H472 PolarHBondContact O-ND1 3.02Å; K470-H472 PolarHBondContact O-N 2.92Å; K470-H472 PolarHBondContact O-ND1 2.91Å; H472-R474 PolarHBondContact NE2-NE 2.9Å; H472-I486 HydrophobicContact CB-CG2 4.29Å; H472-L489 HydrophobicContact CB-CB 4.17Å; H472-L489 HydrophobicContact CB-CD1 3.91Å
473	V	98.8	Very high	95.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.1	172	179	0	0	0	0	108.8	A457 T458 I475 I486 I487 F492 V496 L499 L510	A457-V473 HydrophobicContact CB-CG1 4.23Å; T458-V473 WeakPolarHBondContact O-CA 3.42Å; V473-I475 HydrophobicContact CG1-CD1 4.16Å; V473-I486 WeakPolarHBondContact O-CA 3.17Å; V473-I487 HydrophobicContact CB-CD1 4.25Å; V473-I487 HydrophobicContact CB-CG1 3.73Å; V473-I487 HydrophobicContact CG1-CD1 4.42Å; V473-I487 HydrophobicContact CG1-CG1 4.29Å; V473-I487 PolarHBondContact N-O 2.72Å; V473-I487 VanDerWaalsContact N-O 3.08Å; V473-I487 PolarHBondContact O-N 2.88Å; V473-F492 HydrophobicContact CB-CE2 4.47Å; V473-F492 HydrophobicContact CG2-CE2 3.73Å; V473-F492 HydrophobicContact CG2-CZ 4.08Å; V473-V496 HydrophobicContact CG2-CB 4.32Å; V473-V496 HydrophobicContact CG2-CG1 3.86Å; V473-V496 HydrophobicContact CG2-CG2 4.05Å; V473-L499 HydrophobicContact CG1-CD1 4Å; V473-L499 HydrophobicContact CG1-CD2 3.95Å; V473-L499 HydrophobicContact CG2-CD2 3.84Å; V473-L510 HydrophobicContact CG1-CD2 4.14Å
474	R	98.7	Very high	95.9	Very high	5 Å²	5	55.5 Å²	55.5	2%	0.019	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	136.7	171.5	-64.2	-174.9	163.6	-108.4	13.4	108.9	Y437 E439 A457 T458 H472 T483 I486	Y437-R474 HydrophobicContact CE1-CB 4.32Å; Y437-R474 WeakPolarHBondContact OH-CD 3.45Å; E439-R474 PolarHBondContact O-NE 3.33Å; E439-R474 VanDerWaalsContact O-NE 3.14Å; E439-R474 PolarHBondContact O-NH2 3.45Å; E439-R474 IonicContact OE2-CZ 3.17Å; E439-R474 IonicContact OE2-NH1 3.03Å; E439-R474 PolarHBondContact OE2-NH1 3.34Å; E439-R474 IonicContact OE2-NH2 2.76Å; A457-R474 CarbonylContact C-O 3.49Å; A457-R474 VanDerWaalsContact CA-O 3.29Å; A457-R474 WeakPolarHBondContact CA-O 3.44Å; T458-R474 PolarHBondContact N-O 2.91Å; T458-R474 PolarHBondContact O-N 3.47Å; H472-R474 PolarHBondContact NE2-NE 2.9Å; R474-T483 PolarHBondContact NH1-OG1 2.9Å; R474-I486 HydrophobicContact CG-CG1 4.42Å
475	I	98.8	Very high	96.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.8	171.2	-56.2	89.8	0	0	0	107.3	T455 V456 A457 V473 L484 K485 I487 F501 L510 W526	T455-I475 HydrophobicContact CG2-CG2 3.49Å; T455-I475 VanDerWaalsContact CG2-CG2 3.49Å; V456-I475 CarbonylContact O-C 3.58Å; V456-I475 VanDerWaalsContact O-CA 3.28Å; V456-I475 WeakPolarHBondContact O-CA 3.31Å; A457-I475 HydrophobicContact CB-CG1 3.98Å; V473-I475 HydrophobicContact CG1-CD1 4.16Å; I475-L484 WeakPolarHBondContact O-CA 3.48Å; I475-L484 WeakPolarHBondContact O-CB 3.34Å; I475-L484 PolarHBondContact O-N 3.2Å; I475-K485 HydrophobicContact CB-CB 4.23Å; I475-K485 HydrophobicContact CD1-CB 4.06Å; I475-K485 PolarHBondContact N-O 2.68Å; I475-K485 PolarHBondContact O-N 3.49Å; I475-I487 HydrophobicContact CD1-CD1 3.87Å; I475-I487 HydrophobicContact CD1-CG1 3.9Å; I475-I487 HydrophobicContact CD1-CG2 4.13Å; I475-F501 HydrophobicContact CG2-CZ 4.28Å; I475-L510 HydrophobicContact CD1-CD2 4.11Å; I475-L510 HydrophobicContact CG1-CD2 3.95Å; I475-W526 HydrophobicContact CB-CE3 4.33Å; I475-W526 HydrophobicContact CD1-CB 4.34Å; I475-W526 HydrophobicContact CG2-CD2 4.38Å; I475-W526 HydrophobicContact CG2-CE3 3.79Å; I475-W526 HydrophobicContact CG2-CH2 4.47Å; I475-W526 HydrophobicContact CG2-CZ3 3.85Å
476	W	98.7	Very high	96.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	166.7	-168.9	53.6	-81.7	0	0	0	111.7	I417 V424 L426 Y437 V456 T458 L481 K482	I417-W476 HydrophobicContact CD1-CH2 3.69Å; I417-W476 HydrophobicContact CD1-CZ2 4.14Å; V424-W476 HydrophobicContact CB-CH2 4.14Å; V424-W476 HydrophobicContact CB-CZ2 3.9Å; V424-W476 HydrophobicContact CG1-CH2 4Å; V424-W476 HydrophobicContact CG1-CZ2 3.82Å; V424-W476 HydrophobicContact CG2-CZ2 3.87Å; L426-W476 HydrophobicContact CD1-CH2 4.01Å; L426-W476 HydrophobicContact CD1-CZ3 4.16Å; Y437-W476 AromaticContact CD1-CD2 4Å; Y437-W476 HydrophobicContact CD1-CD2 4Å; Y437-W476 AromaticContact CD1-CE2 3.68Å; Y437-W476 HydrophobicContact CD1-CG 4.24Å; Y437-W476 HydrophobicContact CD1-CZ2 4.08Å; Y437-W476 AromaticContact CD1-NE1 3.71Å; Y437-W476 HydrophobicContact CD2-CB 4.41Å; Y437-W476 AromaticContact CD2-CD2 3.87Å; Y437-W476 HydrophobicContact CD2-CD2 3.87Å; Y437-W476 AromaticContact CD2-CE3 3.92Å; Y437-W476 HydrophobicContact CD2-CE3 3.92Å; Y437-W476 HydrophobicContact CD2-CG 4.11Å; Y437-W476 HydrophobicContact CD2-CZ3 4.47Å; Y437-W476 AromaticContact CE1-CD1 3.46Å; Y437-W476 VanDerWaalsContact CE1-CD1 3.46Å; Y437-W476 HydrophobicContact CE1-CD2 4.08Å; Y437-W476 AromaticContact CE1-CE2 3.93Å; Y437-W476 AromaticContact CE1-CG 3.82Å; Y437-W476 HydrophobicContact CE1-CG 3.82Å; Y437-W476 AromaticContact CE1-NE1 3.52Å; Y437-W476 HydrophobicContact CE2-CB 3.69Å; Y437-W476 AromaticContact CE2-CD2 3.97Å; Y437-W476 HydrophobicContact CE2-CD2 3.97Å; Y437-W476 HydrophobicContact CE2-CE3 4.36Å; Y437-W476 AromaticContact CE2-CG 3.69Å; Y437-W476 HydrophobicContact CE2-CG 3.69Å; Y437-W476 AromaticContact CG-CD2 3.89Å; Y437-W476 HydrophobicContact CG-CD2 3.89Å; Y437-W476 AromaticContact CG-CE2 3.93Å; Y437-W476 HydrophobicContact CG-CE3 4.07Å; Y437-W476 HydrophobicContact CG-CG 4.37Å; Y437-W476 HydrophobicContact CG-CH2 4.34Å; Y437-W476 HydrophobicContact CG-CZ2 4.18Å; Y437-W476 HydrophobicContact CG-CZ3 4.29Å; Y437-W476 AromaticContact CZ-CD1 3.52Å; Y437-W476 AromaticContact CZ-CG 3.52Å; V456-W476 HydrophobicContact CB-CD2 4.04Å; V456-W476 HydrophobicContact CB-CE3 4.45Å; V456-W476 HydrophobicContact CB-CH2 4.31Å; V456-W476 HydrophobicContact CB-CZ2 3.87Å; V456-W476 HydrophobicContact CG1-CD2 4.48Å; V456-W476 HydrophobicContact CG1-CH2 4.21Å; V456-W476 HydrophobicContact CG1-CZ2 3.5Å; V456-W476 VanDerWaalsContact CG1-CZ2 3.5Å; V456-W476 HydrophobicContact CG2-CH2 4.38Å; V456-W476 HydrophobicContact CG2-CZ2 4.4Å; V456-W476 PolarHBondContact N-O 3.46Å; V456-W476 PolarHBondContact O-N 3.17Å; T458-W476 HydrophobicContact CG2-CZ2 4.38Å; T458-W476 PolarHBondContact OG1-NE1 2.93Å; W476-L481 HydrophobicContact CE3-CD2 4.33Å; W476-L481 HydrophobicContact CZ3-CD2 3.8Å; W476-K482 VanDerWaalsContact CA-O 3.23Å; W476-K482 WeakPolarHBondContact CA-O 3.38Å; W476-K482 VanDerWaalsContact CB-O 3.26Å; W476-K482 WeakPolarHBondContact CB-O 3.43Å
477	S	98.1	Very high	97.2	Very high	13 Å²	13	44.7 Å²	44.7	9%	0.091	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.7	179.6	142.2	0	0	0	0	110.3	V479 D480 L481 K482	S477-V479 PolarHBondContact O-N 3.44Å; S477-V479 PolarHBondContact OG-N 3.43Å; S477-D480 WeakPolarHBondContact CB-OD1 3.31Å; S477-D480 PolarHBondContact OG-N 3.3Å; S477-D480 PolarHBondContact OG-OD1 2.94Å; S477-L481 WeakPolarHBondContact O-CA 3.45Å; S477-L481 PolarHBondContact O-N 3.07Å; S477-K482 PolarHBondContact N-O 3.23Å
478	S	97.5	Very high	97.4	Very high	2 Å²	2	38 Å²	38	1%	0.014	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.9	178.5	64.4	0	0	0	0	113.4	R435 I454	R435-S478 PolarHBondContact NH1-O 3.29Å; R435-S478 PolarHBondContact NH2-O 3.42Å; I454-S478 WeakPolarHBondContact O-CB 3.49Å; I454-S478 PolarHBondContact O-N 3.09Å; I454-S478 PolarHBondContact O-OG 3.23Å; I454-S478 VanDerWaalsContact O-OG 3.1Å
479	V	96.3	Very high	97.5	Very high	88 Å²	88	39.5 Å²	39.5	53%	0.533	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-59.2	-177.9	175.2	0	0	0	0	110.4	R435 I454 S477	R435-V479 PolarHBondContact NH1-O 2.84Å; I454-V479 HydrophobicContact CG2-CG2 4.01Å; S477-V479 PolarHBondContact O-N 3.44Å; S477-V479 PolarHBondContact OG-N 3.43Å
480	D	95.7	Very high	97.5	Very high	72 Å²	72	41 Å²	41	39%	0.385	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	5	-173.9	75.2	-23.3	0	0	0	114.5	S477 K482	S477-D480 WeakPolarHBondContact CB-OD1 3.31Å; S477-D480 PolarHBondContact OG-N 3.3Å; S477-D480 PolarHBondContact OG-OD1 2.94Å; D480-K482 PolarHBondContact O-N 3.45Å; D480-K482 PolarHBondContact OD1-N 3.41Å; D480-K482 VanDerWaalsContact OD2-CD 3.31Å; D480-K482 WeakPolarHBondContact OD2-CD 3.47Å; D480-K482 WeakPolarHBondContact OD2-CE 3.27Å; D480-K482 WeakPolarHBondContact OD2-CG 3.43Å; D480-K482 IonicContact OD2-NZ 2.9Å; D480-K482 PolarHBondContact OD2-NZ 2.82Å
481	L	97.7	Very high	97.5	Very high	42 Å²	42	39.5 Å²	39.5	22%	0.22	21%	0.212	C	C	.	.			trans	58.5	15.3	176	-51.9	-179.9	0	0	0	115.2	L426 R435 Y437 W476 S477	L426-L481 HydrophobicContact CD1-CD2 3.86Å; L426-L481 HydrophobicContact CD2-CD2 4.19Å; R435-L481 HydrophobicContact CB-CD1 4.12Å; Y437-L481 WeakPolarHBondContact CD2-O 3.48Å; Y437-L481 WeakPolarHBondContact CE2-O 3.44Å; W476-L481 HydrophobicContact CE3-CD2 4.33Å; W476-L481 HydrophobicContact CZ3-CD2 3.8Å; S477-L481 WeakPolarHBondContact O-CA 3.45Å; S477-L481 PolarHBondContact O-N 3.07Å
482	K	98	Very high	97.5	Very high	128 Å²	128	39.7 Å²	39.7	56%	0.557	21%	0.212	S	C	*	.			trans	-80.2	135	-178.9	-64	-166.2	-169.8	93.2	0	112.1	W476 S477 D480 L484	W476-K482 VanDerWaalsContact CA-O 3.23Å; W476-K482 WeakPolarHBondContact CA-O 3.38Å; W476-K482 VanDerWaalsContact CB-O 3.26Å; W476-K482 WeakPolarHBondContact CB-O 3.43Å; S477-K482 PolarHBondContact N-O 3.23Å; D480-K482 PolarHBondContact O-N 3.45Å; D480-K482 PolarHBondContact OD1-N 3.41Å; D480-K482 VanDerWaalsContact OD2-CD 3.31Å; D480-K482 WeakPolarHBondContact OD2-CD 3.47Å; D480-K482 WeakPolarHBondContact OD2-CE 3.27Å; D480-K482 WeakPolarHBondContact OD2-CG 3.43Å; D480-K482 IonicContact OD2-NZ 2.9Å; D480-K482 PolarHBondContact OD2-NZ 2.82Å; K482-L484 PolarHBondContact O-N 2.58Å; K482-L484 VanDerWaalsContact O-N 3.16Å
483	T	98.3	Very high	97.4	Very high	44 Å²	44	44.8 Å²	44.8	27%	0.27	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	109.9	166.5	-54.5	0	0	0	0	109.9	Y437 E439 R474 I486	Y437-T483 PolarHBondContact OH-OG1 2.73Å; E439-T483 PolarHBondContact OE2-OG1 3.11Å; R474-T483 PolarHBondContact NH1-OG1 2.9Å; T483-I486 HydrophobicContact CG2-CD1 4.38Å; T483-I486 HydrophobicContact CG2-CG1 3.82Å
484	L	98.1	Very high	97.3	Very high	78 Å²	78	51.3 Å²	51.3	41%	0.408	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-39.8	176.6	-59.1	174.2	0	0	0	111.3	T455 I475 K482	T455-L484 HydrophobicContact CG2-CD1 4.29Å; I475-L484 WeakPolarHBondContact O-CA 3.48Å; I475-L484 WeakPolarHBondContact O-CB 3.34Å; I475-L484 PolarHBondContact O-N 3.2Å; K482-L484 PolarHBondContact O-N 2.58Å; K482-L484 VanDerWaalsContact O-N 3.16Å
485	K	97.8	Very high	97.3	Very high	76 Å²	76	51.1 Å²	51.1	33%	0.33	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	152.9	-178.6	-59.5	-72.5	159.5	160.3	0	111.6	I475 W526 Q527 S529	I475-K485 HydrophobicContact CB-CB 4.23Å; I475-K485 HydrophobicContact CD1-CB 4.06Å; I475-K485 PolarHBondContact N-O 2.68Å; I475-K485 PolarHBondContact O-N 3.49Å; K485-W526 HydrophobicContact CG-CE3 4.1Å; K485-W526 HydrophobicContact CG-CZ3 4.43Å; K485-W526 WeakPolarHBondContact CG-O 3.3Å; K485-Q527 VanDerWaalsContact CE-O 3.29Å; K485-Q527 WeakPolarHBondContact CE-O 3.43Å; K485-Q527 PolarHBondContact NZ-O 2.9Å; K485-S529 WeakPolarHBondContact CD-OG 3.2Å
486	I	97.9	Very high	97.3	Very high	52 Å²	52	51.1 Å²	51.1	27%	0.267	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	135.7	162.2	-55.3	179.4	0	0	0	106.4	F468 H472 V473 R474 T483 L489	F468-I486 HydrophobicContact CD1-CD1 4.36Å; F468-I486 HydrophobicContact CE1-CD1 3.74Å; F468-I486 HydrophobicContact CZ-CD1 4.37Å; H472-I486 HydrophobicContact CB-CG2 4.29Å; V473-I486 WeakPolarHBondContact O-CA 3.17Å; R474-I486 HydrophobicContact CG-CG1 4.42Å; T483-I486 HydrophobicContact CG2-CD1 4.38Å; T483-I486 HydrophobicContact CG2-CG1 3.82Å; I486-L489 HydrophobicContact CG2-CB 4.42Å
487	I	98	Very high	97.2	Very high	5 Å²	5	51.8 Å²	51.8	3%	0.026	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	152.4	179.5	66.9	175	0	0	0	112	V473 I475 L489 L510 W524	V473-I487 HydrophobicContact CB-CD1 4.25Å; V473-I487 HydrophobicContact CB-CG1 3.73Å; V473-I487 HydrophobicContact CG1-CD1 4.42Å; V473-I487 HydrophobicContact CG1-CG1 4.29Å; V473-I487 PolarHBondContact N-O 2.72Å; V473-I487 VanDerWaalsContact N-O 3.08Å; V473-I487 PolarHBondContact O-N 2.88Å; I475-I487 HydrophobicContact CD1-CD1 3.87Å; I475-I487 HydrophobicContact CD1-CG1 3.9Å; I475-I487 HydrophobicContact CD1-CG2 4.13Å; I487-L489 VanDerWaalsContact C-N 3.26Å; I487-L489 PolarHBondContact O-N 3.46Å; I487-L510 HydrophobicContact CD1-CD2 3.98Å; I487-W524 HydrophobicContact CB-CD2 4.5Å; I487-W524 HydrophobicContact CB-CE3 3.92Å; I487-W524 HydrophobicContact CB-CZ3 4.1Å; I487-W524 HydrophobicContact CD1-CB 3.95Å; I487-W524 HydrophobicContact CD1-CD2 3.86Å; I487-W524 HydrophobicContact CD1-CE3 4.09Å; I487-W524 HydrophobicContact CD1-CG 3.79Å; I487-W524 HydrophobicContact CG1-CD2 4.48Å; I487-W524 HydrophobicContact CG1-CE3 4.39Å
488	G	96.3	Very high	97.2	Very high	3 Å²	3	51.5 Å²	51.5	3%	0.031	26%	0.262	C	S	.	.			trans	63.7	20.3	176.2	0	0	0	0	0	116.2	G490 E491 F492	G488-G490 PolarHBondContact O-N 3.18Å; G488-E491 PolarHBondContact O-N 3.06Å; G488-F492 WeakPolarHBondContact O-CD2 3.32Å; G488-F492 PolarHBondContact O-N 3.38Å
489	L	95.5	Very high	97.2	Very high	76 Å²	76	52.1 Å²	52.1	40%	0.398	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	100.3	179.2	-179.7	65.5	0	0	0	110.9	F468 K470 H472 I486 I487	F468-L489 HydrophobicContact CD1-CD1 4.33Å; F468-L489 HydrophobicContact CD1-CD2 4.02Å; F468-L489 HydrophobicContact CE1-CD2 4.11Å; K470-L489 HydrophobicContact CB-CD1 4.14Å; H472-L489 HydrophobicContact CB-CB 4.17Å; H472-L489 HydrophobicContact CB-CD1 3.91Å; I486-L489 HydrophobicContact CG2-CB 4.42Å; I487-L489 VanDerWaalsContact C-N 3.26Å; I487-L489 PolarHBondContact O-N 3.46Å
490	G	94.2	Very high	97.3	Very high	38 Å²	38	48.2 Å²	48.2	39%	0.392	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	14	-174.1	0	0	0	0	0	115.5	G488	G488-G490 PolarHBondContact O-N 3.18Å
491	E	96.7	Very high	97.5	Very high	99 Å²	99	44.8 Å²	44.8	46%	0.463	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-31.9	165.2	-62.8	-174.9	-113.3	0	0	112.2	G488 W524 K531	G488-E491 PolarHBondContact O-N 3.06Å; E491-W524 WeakPolarHBondContact OE1-CH2 3.49Å; E491-K531 WeakPolarHBondContact OE2-CE 3.45Å; E491-K531 IonicContact OE2-NZ 2.71Å; E491-K531 PolarHBondContact OE2-NZ 2.88Å
492	F	97.7	Very high	97.5	Very high	13 Å²	13	42.8 Å²	42.8	6%	0.057	21%	0.213	C	C	.	.	S	Bend	trans	-83.4	144.7	176.6	-62.7	-63.4	0	0	0	112.8	P471 V473 G488 V496 A512 D514 W524	P471-F492 HydrophobicContact CB-CB 3.92Å; V473-F492 HydrophobicContact CB-CE2 4.47Å; V473-F492 HydrophobicContact CG2-CE2 3.73Å; V473-F492 HydrophobicContact CG2-CZ 4.08Å; G488-F492 WeakPolarHBondContact O-CD2 3.32Å; G488-F492 PolarHBondContact O-N 3.38Å; F492-V496 HydrophobicContact CB-CG2 4.04Å; F492-V496 HydrophobicContact CD1-CG2 4.21Å; F492-V496 HydrophobicContact CD2-CG2 3.73Å; F492-V496 HydrophobicContact CE2-CG2 4.16Å; F492-V496 HydrophobicContact CG-CG2 3.75Å; F492-A512 HydrophobicContact CE1-CB 3.8Å; F492-A512 HydrophobicContact CZ-CB 3.7Å; F492-D514 HydrophobicContact CB-CB 4.26Å; F492-D514 HydrophobicContact CD1-CB 3.99Å; F492-W524 HydrophobicContact CE1-CZ2 4.02Å; F492-W524 HydrophobicContact CE2-CZ2 4.12Å; F492-W524 AromaticContact CZ-CE2 3.75Å; F492-W524 AromaticContact CZ-CZ2 3.58Å; F492-W524 HydrophobicContact CZ-CZ2 3.58Å; F492-W524 AromaticContact CZ-NE1 3.66Å
493	E	96.9	Very high	97.3	Very high	107 Å²	107	39.7 Å²	39.7	50%	0.5	20%	0.2	S	C	.	.			trans	-102.5	145.8	174.8	-66	-170.2	179	0	0	113.8	S495 D514 E515 A516	E493-S495 VanDerWaalsContact C-N 3.26Å; E493-S495 PolarHBondContact O-N 3.43Å; E493-D514 PolarHBondContact N-OD2 2.73Å; E493-E515 PolarHBondContact O-N 2.93Å; E493-A516 HydrophobicContact CB-CB 3.87Å; E493-A516 HydrophobicContact CG-CB 4.34Å
494	R	96.7	Very high	97.2	Very high	136 Å²	136	40.9 Å²	40.9	51%	0.513	21%	0.207	S	C	.	.	S	Bend	trans	56.2	-62.1	178.4	-54.7	-163	-172.1	106.1	0.8	116.8	A462 P471 E515 T517	A462-R494 WeakPolarHBondContact CB-O 3.35Å; A462-R494 PolarHBondContact N-O 3.45Å; P471-R494 WeakPolarHBondContact CG-O 3.43Å; R494-E515 HydrophobicContact CB-CB 4Å; R494-E515 VanDerWaalsContact CD-O 3.22Å; R494-E515 WeakPolarHBondContact CD-O 3.14Å; R494-E515 WeakPolarHBondContact CG-O 3.23Å; R494-E515 PolarHBondContact NH1-O 2.83Å; R494-T517 PolarHBondContact NH2-OG1 2.81Å
495	S	97.6	Very high	97	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.014	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-164	158	178.7	-164.3	0	0	0	0	110.6	K445 S461 E493 D514 E515	K445-S495 WeakPolarHBondContact CG-OG 3.38Å; S461-S495 WeakPolarHBondContact CA-OG 3.17Å; S461-S495 PolarHBondContact N-OG 2.87Å; S461-S495 PolarHBondContact OG-OG 3.1Å; E493-S495 VanDerWaalsContact C-N 3.26Å; E493-S495 PolarHBondContact O-N 3.43Å; S495-D514 CarbonylContact O-C 3.59Å; S495-D514 VanDerWaalsContact O-CA 3.24Å; S495-D514 WeakPolarHBondContact O-CA 3.35Å; S495-D514 WeakPolarHBondContact O-CB 3.17Å; S495-E515 PolarHBondContact O-N 3.34Å
496	V	98.4	Very high	96.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	112.9	170.8	-173.8	0	0	0	0	108.9	C446 Q460 P471 V473 F492 L499 A512 V513	C446-V496 PolarHBondContact SG-O 3.22Å; Q460-V496 PolarHBondContact O-N 2.92Å; P471-V496 HydrophobicContact CB-CG2 4.46Å; V473-V496 HydrophobicContact CG2-CB 4.32Å; V473-V496 HydrophobicContact CG2-CG1 3.86Å; V473-V496 HydrophobicContact CG2-CG2 4.05Å; F492-V496 HydrophobicContact CB-CG2 4.04Å; F492-V496 HydrophobicContact CD1-CG2 4.21Å; F492-V496 HydrophobicContact CD2-CG2 3.73Å; F492-V496 HydrophobicContact CE2-CG2 4.16Å; F492-V496 HydrophobicContact CG-CG2 3.75Å; V496-L499 HydrophobicContact CG1-CD2 4.27Å; V496-L499 HydrophobicContact CG1-CG 4.38Å; V496-A512 HydrophobicContact CG1-CB 4.29Å; V496-V513 WeakPolarHBondContact CG1-O 3.31Å
497	C	97.4	Very high	96.8	Very high	13 Å²	13	37 Å²	37	9%	0.088	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-21.3	-168.2	65.3	0	0	0	0	114.8	C446 V513 E515	C446-C497 WeakPolarHBondContact CB-O 3.43Å; C497-V513 PolarHBondContact N-O 2.82Å; C497-V513 PolarHBondContact SG-O 3.33Å; C497-E515 HydrophobicContact CB-CG 3.7Å; C497-E515 WeakPolarHBondContact CB-OE1 3.47Å
498	C	98.1	Very high	96.8	Very high	7 Å²	7	39.2 Å²	39.2	5%	0.047	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	141.9	176.3	-61.8	0	0	0	0	111.7	A512 V513 A544 V545	C498-A512 WeakPolarHBondContact O-CA 3.2Å; C498-V513 HydrophobicContact CB-CB 4.14Å; C498-V513 HydrophobicContact CB-CG2 4.38Å; C498-V513 PolarHBondContact N-O 2.58Å; C498-V513 PolarHBondContact O-N 3.38Å; C498-A544 VanDerWaalsContact SG-CA 3.58Å; C498-V545 HydrophobicContact CB-CB 4.13Å; C498-V545 HydrophobicContact CB-CG1 3.73Å
499	L	98.4	Very high	96.8	Very high	15 Å²	15	40.6 Å²	40.6	8%	0.079	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	145.7	175.4	-74.1	168.7	0	0	0	110.7	C446 A448 A457 V473 V496 L510 C511 A512	C446-L499 VanDerWaalsContact SG-CG 3.58Å; A448-L499 HydrophobicContact CB-CB 3.73Å; A457-L499 HydrophobicContact CB-CD1 4.2Å; V473-L499 HydrophobicContact CG1-CD1 4Å; V473-L499 HydrophobicContact CG1-CD2 3.95Å; V473-L499 HydrophobicContact CG2-CD2 3.84Å; V496-L499 HydrophobicContact CG1-CD2 4.27Å; V496-L499 HydrophobicContact CG1-CG 4.38Å; L499-L510 HydrophobicContact CB-CD1 4.47Å; L499-L510 HydrophobicContact CD2-CD1 4.08Å; L499-L510 HydrophobicContact CD2-CD2 4.45Å; L499-L510 HydrophobicContact CD2-CG 4.31Å; L499-C511 CarbonylContact C-O 3.56Å; L499-C511 WeakPolarHBondContact CA-O 3.18Å; L499-A512 HydrophobicContact CD2-CB 3.71Å
500	S	98.3	Very high	97	Very high	6 Å²	6	37 Å²	37	4%	0.042	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	126.9	167.8	-163.1	0	0	0	0	112	C511 F547	S500-C511 PolarHBondContact N-O 3.24Å; S500-C511 PolarHBondContact O-N 2.78Å; S500-F547 WeakPolarHBondContact O-CD2 3.42Å; S500-F547 WeakPolarHBondContact O-CE2 3.45Å; S500-F547 PolarHBondContact OG-N 3.01Å
501	F	98.5	Very high	97.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	141.7	166.4	-71.8	-74.7	0	0	0	111	A448 H450 T455 A457 I475 K503 K509 L510 W526	A448-F501 HydrophobicContact CB-CD2 4.08Å; A448-F501 HydrophobicContact CB-CE2 4.4Å; A448-F501 WeakPolarHBondContact O-CE2 3.37Å; H450-F501 HydrophobicContact CB-CD2 3.8Å; H450-F501 HydrophobicContact CB-CE2 3.76Å; H450-F501 HydrophobicContact CB-CG 4.21Å; H450-F501 HydrophobicContact CB-CZ 4.15Å; H450-F501 AromaticContact CD2-CD1 3.57Å; H450-F501 AromaticContact CD2-CE1 3.75Å; H450-F501 AromaticContact CD2-CG 3.82Å; T455-F501 HydrophobicContact CG2-CZ 4.31Å; A457-F501 HydrophobicContact CB-CE2 3.58Å; A457-F501 HydrophobicContact CB-CZ 3.55Å; I475-F501 HydrophobicContact CG2-CZ 4.28Å; F501-K503 WeakPolarHBondContact O-CD 3.17Å; F501-K503 VanDerWaalsContact O-CE 3.28Å; F501-K503 WeakPolarHBondContact O-CE 3.43Å; F501-K503 PolarHBondContact O-NZ 3.46Å; F501-K509 WeakPolarHBondContact CA-O 3.28Å; F501-L510 HydrophobicContact CD1-CB 4Å; F501-L510 HydrophobicContact CD1-CD1 3.83Å; F501-L510 HydrophobicContact CD1-CG 4.36Å; F501-L510 HydrophobicContact CD2-CD1 4.28Å; F501-L510 HydrophobicContact CE1-CB 4.06Å; F501-L510 HydrophobicContact CE1-CD1 3.97Å; F501-L510 HydrophobicContact CE1-CD2 4.04Å; F501-L510 HydrophobicContact CE1-CG 4.25Å; F501-L510 HydrophobicContact CE2-CD1 4.41Å; F501-L510 HydrophobicContact CG-CD1 4.02Å; F501-L510 HydrophobicContact CZ-CD1 4.28Å; F501-L510 HydrophobicContact CZ-CD2 4.28Å; F501-W526 AromaticContact CD1-NE1 3.97Å; F501-W526 AromaticContact CE1-CD1 3.71Å; F501-W526 HydrophobicContact CE1-CD2 4.34Å; F501-W526 HydrophobicContact CE1-CG 4.15Å; F501-W526 AromaticContact CE1-NE1 3.6Å
502	S	97.9	Very high	97.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.			trans	-60	161.1	166.7	53.5	0	0	0	0	111.6	P451 D505 G507 K509 F547	P451-S502 VanDerWaalsContact CG-O 3.26Å; P451-S502 WeakPolarHBondContact CG-O 3.27Å; S502-D505 WeakPolarHBondContact CB-OD1 3.37Å; S502-D505 PolarHBondContact OG-OD1 3.47Å; S502-D505 PolarHBondContact OG-OD2 3.05Å; S502-D505 VanDerWaalsContact OG-OD2 3.12Å; S502-G507 VanDerWaalsContact O-CA 3.24Å; S502-G507 WeakPolarHBondContact O-CA 3.45Å; S502-K509 PolarHBondContact N-O 2.62Å; S502-K509 WeakPolarHBondContact OG-CB 3.02Å; S502-K509 PolarHBondContact OG-N 2.93Å; S502-K509 VanDerWaalsContact OG-N 3.11Å; S502-K509 PolarHBondContact OG-O 2.7Å; S502-K509 VanDerWaalsContact OG-O 3.12Å; S502-F547 VanDerWaalsContact N-CD2 3.28Å
503	K	95.5	Very high	97.3	Very high	64 Å²	64	29.8 Å²	29.8	28%	0.278	16%	0.155	S	C	.	.	S	Bend	trans	-116.9	-49.5	-170.7	-52.2	-54.4	-177.6	-148.9	0	113.6	P451 F501 S506 P549	P451-K503 HydrophobicContact CG-CD 4.07Å; F501-K503 WeakPolarHBondContact O-CD 3.17Å; F501-K503 VanDerWaalsContact O-CE 3.28Å; F501-K503 WeakPolarHBondContact O-CE 3.43Å; F501-K503 PolarHBondContact O-NZ 3.46Å; K503-S506 PolarHBondContact O-N 2.94Å; K503-P549 HydrophobicContact CG-CB 4.49Å
504	T	95	Very high	97.4	Very high	68 Å²	68	24.9 Å²	24.9	42%	0.417	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-31.8	-175.6	38.1	0	0	0	0	114.6	S506 L550 D552	T504-S506 PolarHBondContact O-N 3.25Å; T504-L550 VanDerWaalsContact CG2-C 3.45Å; T504-D552 VanDerWaalsContact OG1-CB 3.25Å; T504-D552 WeakPolarHBondContact OG1-CB 3.44Å; T504-D552 PolarHBondContact OG1-N 2.86Å; T504-D552 PolarHBondContact OG1-OD1 3.4Å
505	D	95.1	Very high	97.4	Very high	34 Å²	34	21.6 Å²	21.6	18%	0.182	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	21	178.4	71.9	-15.9	0	0	0	113.4	S502 G507 V508 K509 D552	S502-D505 WeakPolarHBondContact CB-OD1 3.37Å; S502-D505 PolarHBondContact OG-OD1 3.47Å; S502-D505 PolarHBondContact OG-OD2 3.05Å; S502-D505 VanDerWaalsContact OG-OD2 3.12Å; D505-G507 PolarHBondContact O-N 2.59Å; D505-G507 PolarHBondContact OD1-N 3.3Å; D505-V508 WeakPolarHBondContact O-CG2 3.43Å; D505-V508 PolarHBondContact OD1-N 3.4Å; D505-K509 WeakPolarHBondContact OD2-CG 3.38Å; D505-K509 IonicContact OD2-NZ 3.34Å; D505-K509 PolarHBondContact OD2-NZ 2.84Å; D505-D552 HydrophobicContact CB-CB 4.38Å
506	S	94.4	Very high	97.4	Very high	92 Å²	92	21.7 Å²	21.7	64%	0.643	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	19.1	-171.8	-52.1	0	0	0	0	115.3	H450 K503 T504	H450-S506 PolarHBondContact CE1-O 2.97Å; H450-S506 VanDerWaalsContact CE1-O 3.3Å; H450-S506 PolarHBondContact NE2-O 3.26Å; K503-S506 PolarHBondContact O-N 2.94Å; T504-S506 PolarHBondContact O-N 3.25Å
507	G	96.7	Very high	97.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	18.4	171.7	0	0	0	0	0	115.6	H450 S502 D505 K509 W526	H450-G507 WeakPolarHBondContact NE2-CA 3.43Å; H450-G507 PolarHBondContact NE2-O 3.31Å; S502-G507 VanDerWaalsContact O-CA 3.24Å; S502-G507 WeakPolarHBondContact O-CA 3.45Å; D505-G507 PolarHBondContact O-N 2.59Å; D505-G507 PolarHBondContact OD1-N 3.3Å; G507-K509 PolarHBondContact O-N 3.34Å; G507-W526 PolarHBondContact O-NE1 2.85Å
508	V	97	Very high	97.2	Very high	50 Å²	50	27.8 Å²	27.8	30%	0.303	16%	0.158	S	C	.	.			trans	-60.4	-27.1	179.5	171.6	0	0	0	0	112.9	D505 W526	D505-V508 WeakPolarHBondContact O-CG2 3.43Å; D505-V508 PolarHBondContact OD1-N 3.4Å; V508-W526 VanDerWaalsContact O-CD1 3.26Å
509	K	97.9	Very high	97.2	Very high	32 Å²	32	28.5 Å²	28.5	14%	0.139	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	138.4	177.4	-54.1	174.2	-163.4	77.3	0	111.5	F501 S502 D505 G507 I523 W524 F547 D552 F568	F501-K509 WeakPolarHBondContact CA-O 3.28Å; S502-K509 PolarHBondContact N-O 2.62Å; S502-K509 WeakPolarHBondContact OG-CB 3.02Å; S502-K509 PolarHBondContact OG-N 2.93Å; S502-K509 VanDerWaalsContact OG-N 3.11Å; S502-K509 PolarHBondContact OG-O 2.7Å; S502-K509 VanDerWaalsContact OG-O 3.12Å; D505-K509 WeakPolarHBondContact OD2-CG 3.38Å; D505-K509 IonicContact OD2-NZ 3.34Å; D505-K509 PolarHBondContact OD2-NZ 2.84Å; G507-K509 PolarHBondContact O-N 3.34Å; K509-I523 HydrophobicContact CB-CG2 4.16Å; K509-I523 HydrophobicContact CD-CG2 4.42Å; K509-I523 HydrophobicContact CG-CG2 4.46Å; K509-W524 WeakPolarHBondContact CA-O 3.34Å; K509-F547 HydrophobicContact CB-CE2 4.4Å; K509-F547 HydrophobicContact CB-CZ 4Å; K509-D552 IonicContact NZ-OD2 3.57Å; K509-D552 PolarHBondContact NZ-OD2 2.89Å; K509-F568 HydrophobicContact CD-CD1 4.29Å; K509-F568 HydrophobicContact CD-CE1 3.88Å
510	L	98.5	Very high	97.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.9	169.8	178.7	56	0	0	0	109.2	A457 V473 I475 I487 L499 F501 W524 W526	A457-L510 HydrophobicContact CB-CD1 4.27Å; A457-L510 HydrophobicContact CB-CD2 3.8Å; V473-L510 HydrophobicContact CG1-CD2 4.14Å; I475-L510 HydrophobicContact CD1-CD2 4.11Å; I475-L510 HydrophobicContact CG1-CD2 3.95Å; I487-L510 HydrophobicContact CD1-CD2 3.98Å; L499-L510 HydrophobicContact CB-CD1 4.47Å; L499-L510 HydrophobicContact CD2-CD1 4.08Å; L499-L510 HydrophobicContact CD2-CD2 4.45Å; L499-L510 HydrophobicContact CD2-CG 4.31Å; F501-L510 HydrophobicContact CD1-CB 4Å; F501-L510 HydrophobicContact CD1-CD1 3.83Å; F501-L510 HydrophobicContact CD1-CG 4.36Å; F501-L510 HydrophobicContact CD2-CD1 4.28Å; F501-L510 HydrophobicContact CE1-CB 4.06Å; F501-L510 HydrophobicContact CE1-CD1 3.97Å; F501-L510 HydrophobicContact CE1-CD2 4.04Å; F501-L510 HydrophobicContact CE1-CG 4.25Å; F501-L510 HydrophobicContact CE2-CD1 4.41Å; F501-L510 HydrophobicContact CG-CD1 4.02Å; F501-L510 HydrophobicContact CZ-CD1 4.28Å; F501-L510 HydrophobicContact CZ-CD2 4.28Å; L510-W524 PolarHBondContact N-O 3.3Å; L510-W524 PolarHBondContact O-N 2.85Å; L510-W526 HydrophobicContact CB-CB 4.15Å; L510-W526 HydrophobicContact CB-CG 4.44Å; L510-W526 HydrophobicContact CD2-CB 4.35Å
511	C	98.5	Very high	97.2	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	135.6	171	-178.3	0	0	0	0	109.1	L499 S500 S522 F547 L555	L499-C511 CarbonylContact C-O 3.56Å; L499-C511 WeakPolarHBondContact CA-O 3.18Å; S500-C511 PolarHBondContact N-O 3.24Å; S500-C511 PolarHBondContact O-N 2.78Å; C511-S522 CarbonylContact C-O 3.58Å; C511-S522 WeakPolarHBondContact CA-O 3.25Å; C511-F547 HydrophobicContact CB-CD2 4.1Å; C511-F547 HydrophobicContact CB-CE2 3.47Å; C511-F547 VanDerWaalsContact CB-CE2 3.47Å; C511-F547 HydrophobicContact CB-CZ 4.09Å; C511-L555 HydrophobicContact CB-CD2 4.45Å
512	A	98.6	Very high	97.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.8	174.8	0	0	0	0	0	110.3	F492 V496 C498 L499 S522	F492-A512 HydrophobicContact CE1-CB 3.8Å; F492-A512 HydrophobicContact CZ-CB 3.7Å; V496-A512 HydrophobicContact CG1-CB 4.29Å; C498-A512 WeakPolarHBondContact O-CA 3.2Å; L499-A512 HydrophobicContact CD2-CB 3.71Å; A512-S522 PolarHBondContact N-O 3.03Å; A512-S522 PolarHBondContact O-N 2.84Å; A512-S522 PolarHBondContact O-OG 2.85Å; A512-S522 VanDerWaalsContact O-OG 3.13Å
513	V	98.6	Very high	97.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.8	170.5	-174	0	0	0	0	109.4	V496 C497 C498 H519 V520 I521 I542 V545	V496-V513 WeakPolarHBondContact CG1-O 3.31Å; C497-V513 PolarHBondContact N-O 2.82Å; C497-V513 PolarHBondContact SG-O 3.33Å; C498-V513 HydrophobicContact CB-CB 4.14Å; C498-V513 HydrophobicContact CB-CG2 4.38Å; C498-V513 PolarHBondContact N-O 2.58Å; C498-V513 PolarHBondContact O-N 3.38Å; V513-H519 HydrophobicContact CG1-CB 4.36Å; V513-V520 VanDerWaalsContact CA-O 3.32Å; V513-V520 WeakPolarHBondContact CA-O 3.33Å; V513-I521 HydrophobicContact CG2-CB 4.08Å; V513-I521 HydrophobicContact CG2-CD1 4.26Å; V513-I521 HydrophobicContact CG2-CG1 3.97Å; V513-I542 HydrophobicContact CG1-CB 4.19Å; V513-I542 HydrophobicContact CG1-CG1 4.05Å; V513-I542 HydrophobicContact CG1-CG2 4.18Å; V513-V545 HydrophobicContact CG2-CB 4.01Å; V513-V545 HydrophobicContact CG2-CG1 4.11Å; V513-V545 HydrophobicContact CG2-CG2 4.17Å
514	D	98.3	Very high	97.3	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.016	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	177.7	178.9	79.7	2.8	0	0	0	114	F492 E493 S495 A516 H519 V520	F492-D514 HydrophobicContact CB-CB 4.26Å; F492-D514 HydrophobicContact CD1-CB 3.99Å; E493-D514 PolarHBondContact N-OD2 2.73Å; S495-D514 CarbonylContact O-C 3.59Å; S495-D514 VanDerWaalsContact O-CA 3.24Å; S495-D514 WeakPolarHBondContact O-CA 3.35Å; S495-D514 WeakPolarHBondContact O-CB 3.17Å; D514-A516 WeakPolarHBondContact OD1-CB 3.26Å; D514-A516 PolarHBondContact OD1-N 2.74Å; D514-H519 PolarHBondContact O-ND1 2.88Å; D514-V520 PolarHBondContact N-O 2.84Å; D514-V520 VanDerWaalsContact N-O 3.14Å; D514-V520 PolarHBondContact OD1-N 3Å
515	E	96.9	Very high	97.4	Very high	67 Å²	67	23.3 Å²	23.3	31%	0.313	13%	0.134	S	C	.	.			trans	-103.1	32.3	176.9	-61.6	-171.2	164.9	0	0	112.2	E493 R494 S495 C497	E493-E515 PolarHBondContact O-N 2.93Å; R494-E515 HydrophobicContact CB-CB 4Å; R494-E515 VanDerWaalsContact CD-O 3.22Å; R494-E515 WeakPolarHBondContact CD-O 3.14Å; R494-E515 WeakPolarHBondContact CG-O 3.23Å; R494-E515 PolarHBondContact NH1-O 2.83Å; S495-E515 PolarHBondContact O-N 3.34Å; C497-E515 HydrophobicContact CB-CG 3.7Å; C497-E515 WeakPolarHBondContact CB-OE1 3.47Å
516	A	96.8	Very high	97.5	Very high	5 Å²	5	22.5 Å²	22.5	4%	0.041	13%	0.129	C	C	.	.	S	Bend	trans	-55.6	161.5	162.6	0	0	0	0	0	111.4	E493 D514 D518 H519 V520	E493-A516 HydrophobicContact CB-CB 3.87Å; E493-A516 HydrophobicContact CG-CB 4.34Å; D514-A516 WeakPolarHBondContact OD1-CB 3.26Å; D514-A516 PolarHBondContact OD1-N 2.74Å; A516-D518 PolarHBondContact O-N 3.17Å; A516-D518 VanDerWaalsContact O-N 3.1Å; A516-H519 PolarHBondContact O-N 3.24Å; A516-V520 HydrophobicContact CB-CG2 4.02Å
517	T	95.8	Very high	97.6	Very high	87 Å²	87	22.4 Å²	22.4	53%	0.534	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.9	179.5	-52.6	0	0	0	0	113.7	R494	R494-T517 PolarHBondContact NH2-OG1 2.81Å
518	D	96.2	Very high	97.6	Very high	53 Å²	53	28.6 Å²	28.6	28%	0.283	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	16.1	175.8	-65.2	-66.5	0	0	0	113.5	A516 K536 C537 S538	A516-D518 PolarHBondContact O-N 3.17Å; A516-D518 VanDerWaalsContact O-N 3.1Å; D518-K536 HydrophobicContact CB-CB 4.22Å; D518-K536 HydrophobicContact CB-CD 3.7Å; D518-K536 HydrophobicContact CB-CG 3.84Å; D518-K536 VanDerWaalsContact CG-NZ 3.32Å; D518-K536 IonicContact OD1-NZ 2.64Å; D518-K536 VanDerWaalsContact OD2-CE 3.23Å; D518-K536 WeakPolarHBondContact OD2-CE 3.46Å; D518-K536 IonicContact OD2-NZ 2.79Å; D518-K536 PolarHBondContact OD2-NZ 3.34Å; D518-C537 PolarHBondContact O-N 2.83Å; D518-S538 CarbonylContact C-O 3.57Å; D518-S538 PolarHBondContact O-N 2.93Å
519	H	97.4	Very high	97.5	Very high	22 Å²	22	28.8 Å²	28.8	10%	0.102	15%	0.148	C	C	.	.			trans	37.3	90.4	-173.7	-69.4	-75.2	0	0	0	113.5	V513 D514 A516 I521 C537 S538 P541 I542	V513-H519 HydrophobicContact CG1-CB 4.36Å; D514-H519 PolarHBondContact O-ND1 2.88Å; A516-H519 PolarHBondContact O-N 3.24Å; H519-I521 PolarHBondContact O-N 3.2Å; H519-C537 HydrophobicContact CB-CB 4.34Å; H519-C537 WeakPolarHBondContact O-CA 3.17Å; H519-C537 WeakPolarHBondContact O-CB 3.22Å; H519-C537 PolarHBondContact O-N 2.89Å; H519-S538 WeakPolarHBondContact CB-O 3.13Å; H519-S538 PolarHBondContact CD2-O 2.74Å; H519-S538 PolarHBondContact N-O 2.89Å; H519-P541 WeakPolarHBondContact NE2-CA 3.42Å; H519-I542 HydrophobicContact CB-CG1 4.03Å
520	V	98.3	Very high	97.4	Very high	33 Å²	33	33.6 Å²	33.6	20%	0.2	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	124.9	-175.7	-179.5	0	0	0	0	110	V513 D514 A516 E534	V513-V520 VanDerWaalsContact CA-O 3.32Å; V513-V520 WeakPolarHBondContact CA-O 3.33Å; D514-V520 PolarHBondContact N-O 2.84Å; D514-V520 VanDerWaalsContact N-O 3.14Å; D514-V520 PolarHBondContact OD1-N 3Å; A516-V520 HydrophobicContact CB-CG2 4.02Å; V520-E534 HydrophobicContact CG1-CB 3.91Å; V520-E534 HydrophobicContact CG1-CG 4.43Å
521	I	98.6	Very high	97.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	130.8	166.9	-177.4	167.5	0	0	0	109.1	V513 H519 E534 T535 C537 V545 L555 W566 L573	V513-I521 HydrophobicContact CG2-CB 4.08Å; V513-I521 HydrophobicContact CG2-CD1 4.26Å; V513-I521 HydrophobicContact CG2-CG1 3.97Å; H519-I521 PolarHBondContact O-N 3.2Å; I521-E534 CarbonylContact O-C 3.55Å; I521-E534 VanDerWaalsContact O-CA 3.27Å; I521-E534 WeakPolarHBondContact O-CA 3.48Å; I521-T535 HydrophobicContact CG2-CG2 3.7Å; I521-T535 WeakPolarHBondContact CG2-O 3.23Å; I521-T535 PolarHBondContact N-O 3.35Å; I521-T535 PolarHBondContact O-N 2.86Å; I521-C537 HydrophobicContact CB-CB 3.97Å; I521-C537 HydrophobicContact CG2-CB 3.84Å; I521-V545 HydrophobicContact CD1-CG2 3.95Å; I521-L555 HydrophobicContact CD1-CD1 3.67Å; I521-W566 HydrophobicContact CG2-CH2 3.74Å; I521-W566 HydrophobicContact CG2-CZ2 4.03Å; I521-W566 HydrophobicContact CG2-CZ3 4.13Å; I521-L573 HydrophobicContact CG1-CD1 4.32Å; I521-L573 HydrophobicContact CG2-CD1 4.3Å
522	S	98.4	Very high	97.4	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	144.5	-173.9	59.7	0	0	0	0	111.7	C511 A512 W524 T533	C511-S522 CarbonylContact C-O 3.58Å; C511-S522 WeakPolarHBondContact CA-O 3.25Å; A512-S522 PolarHBondContact N-O 3.03Å; A512-S522 PolarHBondContact O-N 2.84Å; A512-S522 PolarHBondContact O-OG 2.85Å; A512-S522 VanDerWaalsContact O-OG 3.13Å; S522-W524 PolarHBondContact OG-NE1 3.11Å; S522-T533 WeakPolarHBondContact CA-O 3.46Å
523	I	98.4	Very high	97.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.8	176.1	-64.9	173.6	0	0	0	109.3	K509 I532 T533 F547 L555 F568 L573	K509-I523 HydrophobicContact CB-CG2 4.16Å; K509-I523 HydrophobicContact CD-CG2 4.42Å; K509-I523 HydrophobicContact CG-CG2 4.46Å; I523-I532 HydrophobicContact CG2-CD1 4.1Å; I523-I532 PolarHBondContact O-N 3.43Å; I523-T533 HydrophobicContact CB-CG2 4.15Å; I523-T533 HydrophobicContact CD1-CG2 4.32Å; I523-T533 HydrophobicContact CG1-CG2 4.46Å; I523-T533 PolarHBondContact N-O 3.33Å; I523-T533 PolarHBondContact O-N 2.82Å; I523-F547 HydrophobicContact CD1-CZ 4.4Å; I523-F547 HydrophobicContact CG1-CZ 4.49Å; I523-L555 HydrophobicContact CD1-CD2 3.87Å; I523-L555 HydrophobicContact CG1-CD2 4.36Å; I523-F568 HydrophobicContact CD1-CB 4.06Å; I523-F568 HydrophobicContact CD1-CD1 4.13Å; I523-F568 HydrophobicContact CD1-CD2 3.62Å; I523-F568 HydrophobicContact CD1-CE2 4.07Å; I523-F568 HydrophobicContact CD1-CG 3.66Å; I523-F568 HydrophobicContact CD1-CZ 4.48Å; I523-F568 HydrophobicContact CG2-CZ 4.36Å; I523-L573 HydrophobicContact CD1-CD1 3.95Å; I523-L573 HydrophobicContact CD1-CD2 3.94Å; I523-L573 HydrophobicContact CD1-CG 4.03Å; I523-L573 HydrophobicContact CG1-CD1 4.19Å
524	W	98.3	Very high	97.3	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	136.4	-173	-60.3	77.5	0	0	0	111.8	I487 E491 F492 K509 L510 S522 W526 R530 K531	I487-W524 HydrophobicContact CB-CD2 4.5Å; I487-W524 HydrophobicContact CB-CE3 3.92Å; I487-W524 HydrophobicContact CB-CZ3 4.1Å; I487-W524 HydrophobicContact CD1-CB 3.95Å; I487-W524 HydrophobicContact CD1-CD2 3.86Å; I487-W524 HydrophobicContact CD1-CE3 4.09Å; I487-W524 HydrophobicContact CD1-CG 3.79Å; I487-W524 HydrophobicContact CG1-CD2 4.48Å; I487-W524 HydrophobicContact CG1-CE3 4.39Å; E491-W524 WeakPolarHBondContact OE1-CH2 3.49Å; F492-W524 HydrophobicContact CE1-CZ2 4.02Å; F492-W524 HydrophobicContact CE2-CZ2 4.12Å; F492-W524 AromaticContact CZ-CE2 3.75Å; F492-W524 AromaticContact CZ-CZ2 3.58Å; F492-W524 HydrophobicContact CZ-CZ2 3.58Å; F492-W524 AromaticContact CZ-NE1 3.66Å; K509-W524 WeakPolarHBondContact CA-O 3.34Å; L510-W524 PolarHBondContact N-O 3.3Å; L510-W524 PolarHBondContact O-N 2.85Å; S522-W524 PolarHBondContact OG-NE1 3.11Å; W524-W526 VanDerWaalsContact C-N 3.33Å; W524-W526 PolarHBondContact O-N 3.13Å; W524-R530 WeakPolarHBondContact CA-O 3.49Å; W524-K531 HydrophobicContact CD2-CB 4.09Å; W524-K531 HydrophobicContact CD2-CG 4.27Å; W524-K531 HydrophobicContact CE3-CB 3.83Å; W524-K531 HydrophobicContact CE3-CG 4.48Å; W524-K531 VanDerWaalsContact CE3-N 3.33Å; W524-K531 HydrophobicContact CH2-CB 3.82Å; W524-K531 HydrophobicContact CH2-CD 3.89Å; W524-K531 HydrophobicContact CH2-CG 4.15Å; W524-K531 HydrophobicContact CZ2-CB 4.11Å; W524-K531 HydrophobicContact CZ2-CD 3.64Å; W524-K531 HydrophobicContact CZ2-CG 3.94Å; W524-K531 HydrophobicContact CZ3-CB 3.69Å; W524-K531 HydrophobicContact CZ3-CG 4.42Å
525	D	97.3	Very high	97.2	Very high	10 Å²	10	46.6 Å²	46.6	5%	0.053	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	85.3	158.4	-172	-35.3	0	0	0	106.5	Q527 K528 S529 R530 I532	D525-Q527 VanDerWaalsContact C-N 3.29Å; D525-Q527 PolarHBondContact O-N 2.78Å; D525-K528 HydrophobicContact CB-CB 4.41Å; D525-K528 CarbonylContact O-C 3.43Å; D525-K528 PolarHBondContact O-N 3.09Å; D525-K528 VanDerWaalsContact O-N 3.16Å; D525-K528 WeakPolarHBondContact OD1-CB 3.46Å; D525-K528 VanDerWaalsContact OD1-CG 3.27Å; D525-K528 WeakPolarHBondContact OD1-CG 3.13Å; D525-K528 PolarHBondContact OD1-N 2.84Å; D525-K528 IonicContact OD1-NZ 2.62Å; D525-K528 PolarHBondContact OD1-NZ 2.94Å; D525-K528 WeakPolarHBondContact OD2-CD 3.35Å; D525-K528 WeakPolarHBondContact OD2-CE 3.49Å; D525-K528 IonicContact OD2-NZ 2.71Å; D525-K528 PolarHBondContact OD2-NZ 2.82Å; D525-S529 PolarHBondContact O-N 3.25Å; D525-R530 HydrophobicContact CB-CB 4.4Å; D525-R530 PolarHBondContact N-O 2.93Å; D525-R530 PolarHBondContact O-N 3.37Å; D525-R530 IonicContact OD2-NH2 3.66Å; D525-R530 PolarHBondContact OD2-NH2 2.71Å; D525-I532 HydrophobicContact CB-CD1 4.01Å; D525-I532 HydrophobicContact CB-CG1 4.07Å
526	W	97.3	Very high	97.3	Very high	16 Å²	16	49.2 Å²	49.2	6%	0.061	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-35.4	-167.3	67.7	-95.4	0	0	0	112	H450 T455 I475 K485 F501 G507 V508 L510 W524 K528 S529	H450-W526 AromaticContact NE2-CZ2 3.75Å; T455-W526 HydrophobicContact CG2-CH2 3.92Å; T455-W526 HydrophobicContact CG2-CZ2 4.23Å; T455-W526 HydrophobicContact CG2-CZ3 4.43Å; I475-W526 HydrophobicContact CB-CE3 4.33Å; I475-W526 HydrophobicContact CD1-CB 4.34Å; I475-W526 HydrophobicContact CG2-CD2 4.38Å; I475-W526 HydrophobicContact CG2-CE3 3.79Å; I475-W526 HydrophobicContact CG2-CH2 4.47Å; I475-W526 HydrophobicContact CG2-CZ3 3.85Å; K485-W526 HydrophobicContact CG-CE3 4.1Å; K485-W526 HydrophobicContact CG-CZ3 4.43Å; K485-W526 WeakPolarHBondContact CG-O 3.3Å; F501-W526 AromaticContact CD1-NE1 3.97Å; F501-W526 AromaticContact CE1-CD1 3.71Å; F501-W526 HydrophobicContact CE1-CD2 4.34Å; F501-W526 HydrophobicContact CE1-CG 4.15Å; F501-W526 AromaticContact CE1-NE1 3.6Å; G507-W526 PolarHBondContact O-NE1 2.85Å; V508-W526 VanDerWaalsContact O-CD1 3.26Å; L510-W526 HydrophobicContact CB-CB 4.15Å; L510-W526 HydrophobicContact CB-CG 4.44Å; L510-W526 HydrophobicContact CD2-CB 4.35Å; W524-W526 VanDerWaalsContact C-N 3.33Å; W524-W526 PolarHBondContact O-N 3.13Å; W526-K528 VanDerWaalsContact C-N 3.3Å; W526-K528 PolarHBondContact O-N 3.43Å; W526-S529 PolarHBondContact O-N 2.95Å
527	Q	96.6	Very high	97.3	Very high	90 Å²	90	49 Å²	49	42%	0.421	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-38.2	176.8	-64.3	-176.3	-12.9	0	0	112	K485 D525	K485-Q527 VanDerWaalsContact CE-O 3.29Å; K485-Q527 WeakPolarHBondContact CE-O 3.43Å; K485-Q527 PolarHBondContact NZ-O 2.9Å; D525-Q527 VanDerWaalsContact C-N 3.29Å; D525-Q527 PolarHBondContact O-N 2.78Å
528	K	96.5	Very high	97.4	Very high	130 Å²	130	45.7 Å²	45.7	57%	0.565	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	4.5	175.7	-60.2	178.7	-153.8	69.2	0	113.3	D525 W526 R530	D525-K528 HydrophobicContact CB-CB 4.41Å; D525-K528 CarbonylContact O-C 3.43Å; D525-K528 PolarHBondContact O-N 3.09Å; D525-K528 VanDerWaalsContact O-N 3.16Å; D525-K528 WeakPolarHBondContact OD1-CB 3.46Å; D525-K528 VanDerWaalsContact OD1-CG 3.27Å; D525-K528 WeakPolarHBondContact OD1-CG 3.13Å; D525-K528 PolarHBondContact OD1-N 2.84Å; D525-K528 IonicContact OD1-NZ 2.62Å; D525-K528 PolarHBondContact OD1-NZ 2.94Å; D525-K528 WeakPolarHBondContact OD2-CD 3.35Å; D525-K528 WeakPolarHBondContact OD2-CE 3.49Å; D525-K528 IonicContact OD2-NZ 2.71Å; D525-K528 PolarHBondContact OD2-NZ 2.82Å; W526-K528 VanDerWaalsContact C-N 3.3Å; W526-K528 PolarHBondContact O-N 3.43Å; K528-R530 HydrophobicContact CB-CB 4.32Å; K528-R530 PolarHBondContact O-N 3.12Å
529	S	94.9	Very high	97.4	Very high	54 Å²	54	48.2 Å²	48.2	38%	0.378	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	35.6	-174.3	-65.8	0	0	0	0	113.9	K485 D525 W526	K485-S529 WeakPolarHBondContact CD-OG 3.2Å; D525-S529 PolarHBondContact O-N 3.25Å; W526-S529 PolarHBondContact O-N 2.95Å
530	R	96.2	Very high	97.4	Very high	134 Å²	134	50.4 Å²	50.4	51%	0.506	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.6	-169.1	-178.4	-172.2	64.5	151.3	-0.5	111.9	W524 D525 K528 I532	W524-R530 WeakPolarHBondContact CA-O 3.49Å; D525-R530 HydrophobicContact CB-CB 4.4Å; D525-R530 PolarHBondContact N-O 2.93Å; D525-R530 PolarHBondContact O-N 3.37Å; D525-R530 IonicContact OD2-NH2 3.66Å; D525-R530 PolarHBondContact OD2-NH2 2.71Å; K528-R530 HydrophobicContact CB-CB 4.32Å; K528-R530 PolarHBondContact O-N 3.12Å; R530-I532 PolarHBondContact O-N 3.27Å
531	K	97.7	Very high	97.3	Very high	54 Å²	54	51.7 Å²	51.7	24%	0.235	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	126.5	166	-162.2	165.2	66.4	-173.3	0	109.5	E491 W524 E534	E491-K531 WeakPolarHBondContact OE2-CE 3.45Å; E491-K531 IonicContact OE2-NZ 2.71Å; E491-K531 PolarHBondContact OE2-NZ 2.88Å; W524-K531 HydrophobicContact CD2-CB 4.09Å; W524-K531 HydrophobicContact CD2-CG 4.27Å; W524-K531 HydrophobicContact CE3-CB 3.83Å; W524-K531 HydrophobicContact CE3-CG 4.48Å; W524-K531 VanDerWaalsContact CE3-N 3.33Å; W524-K531 HydrophobicContact CH2-CB 3.82Å; W524-K531 HydrophobicContact CH2-CD 3.89Å; W524-K531 HydrophobicContact CH2-CG 4.15Å; W524-K531 HydrophobicContact CZ2-CB 4.11Å; W524-K531 HydrophobicContact CZ2-CD 3.64Å; W524-K531 HydrophobicContact CZ2-CG 3.94Å; W524-K531 HydrophobicContact CZ3-CB 3.69Å; W524-K531 HydrophobicContact CZ3-CG 4.42Å; K531-E534 HydrophobicContact CD-CB 4.27Å; K531-E534 WeakPolarHBondContact CD-OE2 3.29Å; K531-E534 WeakPolarHBondContact CE-OE1 3.27Å; K531-E534 VanDerWaalsContact CE-OE2 3.25Å; K531-E534 WeakPolarHBondContact CE-OE2 3.32Å; K531-E534 IonicContact NZ-OE1 3.08Å; K531-E534 PolarHBondContact NZ-OE1 3.06Å; K531-E534 IonicContact NZ-OE2 3.36Å; K531-E534 PolarHBondContact NZ-OE2 3.32Å
532	I	97.6	Very high	97.3	Very high	50 Å²	50	52 Å²	52	26%	0.256	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-45.2	179.3	-44.9	-178.9	0	0	0	110.1	I523 D525 R530 F568 G570	I523-I532 HydrophobicContact CG2-CD1 4.1Å; I523-I532 PolarHBondContact O-N 3.43Å; D525-I532 HydrophobicContact CB-CD1 4.01Å; D525-I532 HydrophobicContact CB-CG1 4.07Å; R530-I532 PolarHBondContact O-N 3.27Å; I532-F568 HydrophobicContact CG2-CE2 4.45Å; I532-F568 HydrophobicContact CG2-CZ 4Å; I532-G570 WeakPolarHBondContact CG2-O 3.27Å
533	T	98	Very high	97.2	Very high	21 Å²	21	52.4 Å²	52.4	13%	0.129	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	157.6	177.3	-172.8	0	0	0	0	110.5	S522 I523 F568 C571 L573	S522-T533 WeakPolarHBondContact CA-O 3.46Å; I523-T533 HydrophobicContact CB-CG2 4.15Å; I523-T533 HydrophobicContact CD1-CG2 4.32Å; I523-T533 HydrophobicContact CG1-CG2 4.46Å; I523-T533 PolarHBondContact N-O 3.33Å; I523-T533 PolarHBondContact O-N 2.82Å; T533-F568 HydrophobicContact CG2-CD2 3.93Å; T533-F568 HydrophobicContact CG2-CE2 3.58Å; T533-C571 VanDerWaalsContact CB-O 3.32Å; T533-C571 WeakPolarHBondContact CB-O 3.48Å; T533-C571 PolarHBondContact OG1-O 2.91Å; T533-L573 HydrophobicContact CG2-CD1 4.06Å; T533-L573 HydrophobicContact CG2-CG 4.03Å
534	E	97.1	Very high	97.2	Very high	96 Å²	96	52.6 Å²	52.6	45%	0.449	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	155.2	169	71.9	-163	144.3	0	0	111.3	V520 I521 K531	V520-E534 HydrophobicContact CG1-CB 3.91Å; V520-E534 HydrophobicContact CG1-CG 4.43Å; I521-E534 CarbonylContact O-C 3.55Å; I521-E534 VanDerWaalsContact O-CA 3.27Å; I521-E534 WeakPolarHBondContact O-CA 3.48Å; K531-E534 HydrophobicContact CD-CB 4.27Å; K531-E534 WeakPolarHBondContact CD-OE2 3.29Å; K531-E534 WeakPolarHBondContact CE-OE1 3.27Å; K531-E534 VanDerWaalsContact CE-OE2 3.25Å; K531-E534 WeakPolarHBondContact CE-OE2 3.32Å; K531-E534 IonicContact NZ-OE1 3.08Å; K531-E534 PolarHBondContact NZ-OE1 3.06Å; K531-E534 IonicContact NZ-OE2 3.36Å; K531-E534 PolarHBondContact NZ-OE2 3.32Å
535	T	97.9	Very high	97.1	Very high	55 Å²	55	53.1 Å²	53.1	34%	0.337	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	168.3	175	-171.6	0	0	0	0	111.6	I521 C537 W566 L573	I521-T535 HydrophobicContact CG2-CG2 3.7Å; I521-T535 WeakPolarHBondContact CG2-O 3.23Å; I521-T535 PolarHBondContact N-O 3.35Å; I521-T535 PolarHBondContact O-N 2.86Å; T535-C537 PolarHBondContact O-N 2.89Å; T535-W566 HydrophobicContact CG2-CH2 4.03Å; T535-W566 HydrophobicContact CG2-CZ3 3.56Å; T535-L573 HydrophobicContact CG2-CB 3.75Å; T535-L573 HydrophobicContact CG2-CD1 4.15Å
536	K	97.5	Very high	97.2	Very high	122 Å²	122	55 Å²	55	53%	0.53	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	115.8	178.8	-63	-174.3	175.5	-157.8	0	110.9	D518 K575	D518-K536 HydrophobicContact CB-CB 4.22Å; D518-K536 HydrophobicContact CB-CD 3.7Å; D518-K536 HydrophobicContact CB-CG 3.84Å; D518-K536 VanDerWaalsContact CG-NZ 3.32Å; D518-K536 IonicContact OD1-NZ 2.64Å; D518-K536 VanDerWaalsContact OD2-CE 3.23Å; D518-K536 WeakPolarHBondContact OD2-CE 3.46Å; D518-K536 IonicContact OD2-NZ 2.79Å; D518-K536 PolarHBondContact OD2-NZ 3.34Å; K536-K575 PolarHBondContact O-NZ 2.79Å
537	C	97.6	Very high	97.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.272	C	S	.	.			trans	-72.8	-59.9	178.1	-162.4	0	0	0	0	110.3	D518 H519 I521 T535 I542 W566 K575	D518-C537 PolarHBondContact O-N 2.83Å; H519-C537 HydrophobicContact CB-CB 4.34Å; H519-C537 WeakPolarHBondContact O-CA 3.17Å; H519-C537 WeakPolarHBondContact O-CB 3.22Å; H519-C537 PolarHBondContact O-N 2.89Å; I521-C537 HydrophobicContact CB-CB 3.97Å; I521-C537 HydrophobicContact CG2-CB 3.84Å; T535-C537 PolarHBondContact O-N 2.89Å; C537-I542 HydrophobicContact CB-CD1 4.37Å; C537-I542 HydrophobicContact CB-CG1 4.39Å; C537-I542 VanDerWaalsContact SG-CD1 3.58Å; C537-W566 HydrophobicContact CB-CZ2 4.3Å; C537-K575 PolarHBondContact O-NZ 2.92Å
538	S	97.2	Very high	97.2	Very high	18 Å²	18	50.4 Å²	50.4	13%	0.126	25%	0.254	C	S	.	.			trans	-164.2	145.7	-168.3	179.3	0	0	0	0	111.2	D518 H519 E540	D518-S538 CarbonylContact C-O 3.57Å; D518-S538 PolarHBondContact O-N 2.93Å; H519-S538 WeakPolarHBondContact CB-O 3.13Å; H519-S538 PolarHBondContact CD2-O 2.74Å; H519-S538 PolarHBondContact N-O 2.89Å; S538-E540 WeakPolarHBondContact CB-O 3.23Å; S538-E540 PolarHBondContact O-N 3.49Å; S538-E540 PolarHBondContact OG-N 3.35Å; S538-E540 PolarHBondContact OG-O 3.03Å
539	T	96.8	Very high	97.2	Very high	105 Å²	105	46.2 Å²	46.2	64%	0.644	24%	0.24	S	C	*	.	S	Bend	trans	-81.4	7.2	167.8	59.6	0	0	0	0	112.8
540	E	97.4	Very high	97.3	Very high	69 Å²	69	47.2 Å²	47.2	32%	0.322	24%	0.241	S	C	.	.	S	Bend	trans	-135	142.7	-171.8	-75.4	-80.2	-145	0	0	110.2	S538 I542 K560	S538-E540 WeakPolarHBondContact CB-O 3.23Å; S538-E540 PolarHBondContact O-N 3.49Å; S538-E540 PolarHBondContact OG-N 3.35Å; S538-E540 PolarHBondContact OG-O 3.03Å; E540-I542 PolarHBondContact O-N 2.92Å; E540-K560 HydrophobicContact CB-CB 4.29Å; E540-K560 VanDerWaalsContact CD-CE 3.47Å; E540-K560 WeakPolarHBondContact OE1-CE 3.45Å; E540-K560 IonicContact OE1-NZ 3.53Å; E540-K560 PolarHBondContact OE1-NZ 2.67Å; E540-K560 WeakPolarHBondContact OE2-CD 3.45Å; E540-K560 VanDerWaalsContact OE2-CE 3.28Å; E540-K560 WeakPolarHBondContact OE2-CE 3.36Å; E540-K560 IonicContact OE2-NZ 3.39Å; E540-K560 PolarHBondContact OE2-NZ 3.26Å
541	P	96.5	Very high	97.2	Very high	59 Å²	59	43.3 Å²	43.3	38%	0.383	23%	0.23	S	C	.	.			trans	-49.5	124.2	-169	-33.6	36.7	0	0	0	116.3	H519 G559 K560	H519-P541 WeakPolarHBondContact NE2-CA 3.42Å; P541-G559 CarbonylContact O-C 3.58Å; P541-G559 WeakPolarHBondContact O-CA 2.99Å; P541-K560 PolarHBondContact O-N 3.35Å
542	I	97.9	Very high	97	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.031	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	136.7	170.5	-59	-56.2	0	0	0	109.7	V513 H519 C537 E540 G558 H562	V513-I542 HydrophobicContact CG1-CB 4.19Å; V513-I542 HydrophobicContact CG1-CG1 4.05Å; V513-I542 HydrophobicContact CG1-CG2 4.18Å; H519-I542 HydrophobicContact CB-CG1 4.03Å; C537-I542 HydrophobicContact CB-CD1 4.37Å; C537-I542 HydrophobicContact CB-CG1 4.39Å; C537-I542 VanDerWaalsContact SG-CD1 3.58Å; E540-I542 PolarHBondContact O-N 2.92Å; I542-G558 WeakPolarHBondContact CG2-O 3.44Å; I542-H562 WeakPolarHBondContact CD1-CD2 3.32Å
543	T	96.8	Very high	97	Very high	10 Å²	10	42.2 Å²	42.2	6%	0.061	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-36.5	179.9	49.2	0	0	0	0	112.8	R405 G558 G559 F592 I593	R405-T543 WeakPolarHBondContact CD-O 3.09Å; R405-T543 PolarHBondContact NH1-O 3.01Å; T543-G558 PolarHBondContact N-O 3.47Å; T543-G558 PolarHBondContact OG1-O 2.83Å; T543-G558 VanDerWaalsContact OG1-O 3.13Å; T543-G559 WeakPolarHBondContact OG1-CA 3.32Å; T543-G559 PolarHBondContact OG1-N 3.48Å; T543-F592 HydrophobicContact CG2-CD1 4.37Å; T543-I593 WeakPolarHBondContact CB-O 3.49Å; T543-I593 WeakPolarHBondContact CG2-O 3.47Å; T543-I593 PolarHBondContact OG1-O 3.38Å
544	A	97.4	Very high	96.9	Very high	5 Å²	5	42.8 Å²	42.8	4%	0.041	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	153.1	-179.9	0	0	0	0	0	111.8	C498 S557 G558 L596	C498-A544 VanDerWaalsContact SG-CA 3.58Å; A544-S557 WeakPolarHBondContact O-CA 3.47Å; A544-G558 PolarHBondContact N-O 3.11Å; A544-G558 PolarHBondContact O-N 2.95Å; A544-L596 HydrophobicContact CB-CD1 3.83Å; A544-L596 HydrophobicContact CB-CG 3.94Å
545	V	98	Very high	96.9	Very high	11 Å²	11	38.2 Å²	38.2	7%	0.067	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.8	164.8	80.8	0	0	0	0	109.1	C498 V513 I521 L555 V556	C498-V545 HydrophobicContact CB-CB 4.13Å; C498-V545 HydrophobicContact CB-CG1 3.73Å; V513-V545 HydrophobicContact CG2-CB 4.01Å; V513-V545 HydrophobicContact CG2-CG1 4.11Å; V513-V545 HydrophobicContact CG2-CG2 4.17Å; I521-V545 HydrophobicContact CD1-CG2 3.95Å; V545-L555 HydrophobicContact CG2-CD1 4.1Å; V545-V556 CarbonylContact C-O 3.56Å; V545-V556 WeakPolarHBondContact CA-O 3.31Å; V545-V556 WeakPolarHBondContact CG2-O 3.36Å
546	E	97.7	Very high	97	Very high	50 Å²	50	35.7 Å²	35.7	23%	0.234	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	131.4	180	-160.8	177.3	-176.6	0	0	112.1	L555 V556 L596 F598	E546-L555 CarbonylContact O-C 3.24Å; E546-L555 WeakPolarHBondContact O-CA 3.43Å; E546-L555 WeakPolarHBondContact O-CB 3.39Å; E546-V556 PolarHBondContact N-O 3.14Å; E546-V556 PolarHBondContact O-N 2.89Å; E546-L596 HydrophobicContact CB-CD1 4.45Å; E546-F598 HydrophobicContact CB-CE2 4.05Å; E546-F598 HydrophobicContact CG-CD2 4.28Å; E546-F598 HydrophobicContact CG-CE2 3.86Å
547	F	98	Very high	97	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	139.5	166.8	-86.6	-79.2	0	0	0	110.7	S500 S502 K509 C511 I523 L555	S500-F547 WeakPolarHBondContact O-CD2 3.42Å; S500-F547 WeakPolarHBondContact O-CE2 3.45Å; S500-F547 PolarHBondContact OG-N 3.01Å; S502-F547 VanDerWaalsContact N-CD2 3.28Å; K509-F547 HydrophobicContact CB-CE2 4.4Å; K509-F547 HydrophobicContact CB-CZ 4Å; C511-F547 HydrophobicContact CB-CD2 4.1Å; C511-F547 HydrophobicContact CB-CE2 3.47Å; C511-F547 VanDerWaalsContact CB-CE2 3.47Å; C511-F547 HydrophobicContact CB-CZ 4.09Å; I523-F547 HydrophobicContact CD1-CZ 4.4Å; I523-F547 HydrophobicContact CG1-CZ 4.49Å; F547-L555 HydrophobicContact CD1-CB 3.92Å; F547-L555 HydrophobicContact CD1-CD2 4.22Å; F547-L555 HydrophobicContact CE1-CB 4.35Å; F547-L555 HydrophobicContact CE1-CD2 3.8Å; F547-L555 HydrophobicContact CG-CB 4.26Å; F547-L555 HydrophobicContact CZ-CD2 4.01Å
548	H	97.7	Very high	97	Very high	10 Å²	10	29.9 Å²	29.9	5%	0.046	17%	0.173	C	C	.	.			trans	-65.2	130.9	177.4	175.6	-85.2	0	0	0	110.6	L550 D551 T554 F598 G602 R618	H548-L550 PolarHBondContact ND1-N 2.85Å; H548-L550 PolarHBondContact O-N 3.31Å; H548-L550 VanDerWaalsContact O-N 3.11Å; H548-D551 HydrophobicContact CB-CB 4.45Å; H548-D551 WeakPolarHBondContact ND1-CB 3.24Å; H548-D551 PolarHBondContact ND1-N 3.2Å; H548-D551 CarbonylContact O-C 3.47Å; H548-D551 PolarHBondContact O-N 2.96Å; H548-D551 VanDerWaalsContact O-O 3.09Å; H548-T554 HydrophobicContact CB-CG2 4.03Å; H548-T554 WeakPolarHBondContact CB-O 3.28Å; H548-T554 PolarHBondContact N-O 3.23Å; H548-F598 HydrophobicContact CB-CE1 4.31Å; H548-F598 HydrophobicContact CB-CZ 4.17Å; H548-F598 AromaticContact CD2-CD1 3.94Å; H548-F598 AromaticContact CD2-CE1 3.55Å; H548-G602 PolarHBondContact NE2-O 3.1Å; H548-G602 VanDerWaalsContact NE2-O 3.16Å; H548-R618 PolarHBondContact CE1-NE 2.88Å; H548-R618 VanDerWaalsContact CE1-NE 3.35Å
549	P	95.7	Very high	97.1	Very high	41 Å²	41	29 Å²	29	27%	0.266	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-20.9	-167.4	25.2	-35.7	0	0	0	114.3	K503 F598	K503-P549 HydrophobicContact CG-CB 4.49Å; P549-F598 HydrophobicContact CG-CB 3.62Å; P549-F598 HydrophobicContact CG-CD1 4.43Å; P549-F598 HydrophobicContact CG-CD2 4.29Å; P549-F598 HydrophobicContact CG-CG 3.9Å
550	L	95.9	Very high	97.1	Very high	76 Å²	76	27.2 Å²	27.2	40%	0.398	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	20.1	-178.4	-44.6	171.3	0	0	0	112.3	T504 H548 R618	T504-L550 VanDerWaalsContact CG2-C 3.45Å; H548-L550 PolarHBondContact ND1-N 2.85Å; H548-L550 PolarHBondContact O-N 3.31Å; H548-L550 VanDerWaalsContact O-N 3.11Å; L550-R618 VanDerWaalsContact CD1-NH1 3.34Å; L550-R618 PolarHBondContact O-NH2 3.42Å
551	D	95.1	Very high	97	Very high	52 Å²	52	27.1 Å²	27.1	28%	0.278	17%	0.168	S	C	.	.			trans	-165.2	113.1	176.8	179.1	14.8	0	0	0	112.2	H548 A553 T554	H548-D551 HydrophobicContact CB-CB 4.45Å; H548-D551 WeakPolarHBondContact ND1-CB 3.24Å; H548-D551 PolarHBondContact ND1-N 3.2Å; H548-D551 CarbonylContact O-C 3.47Å; H548-D551 PolarHBondContact O-N 2.96Å; H548-D551 VanDerWaalsContact O-O 3.09Å; D551-A553 VanDerWaalsContact C-N 3.34Å; D551-A553 WeakPolarHBondContact OD1-CB 3.09Å; D551-A553 PolarHBondContact OD1-N 3.06Å; D551-T554 PolarHBondContact O-N 3.27Å; D551-T554 WeakPolarHBondContact OD2-CB 3.4Å; D551-T554 PolarHBondContact OD2-OG1 2.92Å
552	D	94	Very high	97.1	Very high	45 Å²	45	24.8 Å²	24.8	24%	0.241	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-2.6	177.4	60.3	-74.8	0	0	0	114.7	T504 D505 K509	T504-D552 VanDerWaalsContact OG1-CB 3.25Å; T504-D552 WeakPolarHBondContact OG1-CB 3.44Å; T504-D552 PolarHBondContact OG1-N 2.86Å; T504-D552 PolarHBondContact OG1-OD1 3.4Å; D505-D552 HydrophobicContact CB-CB 4.38Å; K509-D552 IonicContact NZ-OD2 3.57Å; K509-D552 PolarHBondContact NZ-OD2 2.89Å
553	A	96.1	Very high	97.1	Very high	35 Å²	35	24.7 Å²	24.7	29%	0.289	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-9.1	166.8	0	0	0	0	0	112.8	D551 T567 F568	D551-A553 VanDerWaalsContact C-N 3.34Å; D551-A553 WeakPolarHBondContact OD1-CB 3.09Å; D551-A553 PolarHBondContact OD1-N 3.06Å; A553-T567 CarbonylContact O-C 3.37Å; A553-T567 WeakPolarHBondContact O-CA 3.41Å; A553-F568 PolarHBondContact O-N 3.43Å
554	T	97.1	Very high	97.2	Very high	33 Å²	33	24.2 Å²	24.2	20%	0.202	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134.7	179.8	-63.3	0	0	0	0	112.1	H548 D551 W566	H548-T554 HydrophobicContact CB-CG2 4.03Å; H548-T554 WeakPolarHBondContact CB-O 3.28Å; H548-T554 PolarHBondContact N-O 3.23Å; D551-T554 PolarHBondContact O-N 3.27Å; D551-T554 WeakPolarHBondContact OD2-CB 3.4Å; D551-T554 PolarHBondContact OD2-OG1 2.92Å; T554-W566 WeakPolarHBondContact CA-O 3.37Å
555	L	97.3	Very high	97.2	Very high	1 Å²	1	25 Å²	25	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	159.4	170.1	66.5	84.9	0	0	0	111.4	C511 I521 I523 V545 E546 F547 W566 L573	C511-L555 HydrophobicContact CB-CD2 4.45Å; I521-L555 HydrophobicContact CD1-CD1 3.67Å; I523-L555 HydrophobicContact CD1-CD2 3.87Å; I523-L555 HydrophobicContact CG1-CD2 4.36Å; V545-L555 HydrophobicContact CG2-CD1 4.1Å; E546-L555 CarbonylContact O-C 3.24Å; E546-L555 WeakPolarHBondContact O-CA 3.43Å; E546-L555 WeakPolarHBondContact O-CB 3.39Å; F547-L555 HydrophobicContact CD1-CB 3.92Å; F547-L555 HydrophobicContact CD1-CD2 4.22Å; F547-L555 HydrophobicContact CE1-CB 4.35Å; F547-L555 HydrophobicContact CE1-CD2 3.8Å; F547-L555 HydrophobicContact CG-CB 4.26Å; F547-L555 HydrophobicContact CZ-CD2 4.01Å; L555-W566 HydrophobicContact CD1-CB 3.62Å; L555-W566 HydrophobicContact CD1-CG 3.65Å; L555-W566 HydrophobicContact CG-CB 3.89Å; L555-W566 HydrophobicContact CG-CG 4.46Å; L555-W566 PolarHBondContact N-O 3.19Å; L555-W566 VanDerWaalsContact N-O 3.09Å; L555-W566 WeakPolarHBondContact O-CB 3.25Å; L555-W566 PolarHBondContact O-N 3.1Å; L555-L573 HydrophobicContact CD2-CD2 4.29Å
556	V	98.4	Very high	97.2	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.4	-177.9	179.6	0	0	0	0	109.8	V545 E546 L563 A564 F565 L596 F598 L604	V545-V556 CarbonylContact C-O 3.56Å; V545-V556 WeakPolarHBondContact CA-O 3.31Å; V545-V556 WeakPolarHBondContact CG2-O 3.36Å; E546-V556 PolarHBondContact N-O 3.14Å; E546-V556 PolarHBondContact O-N 2.89Å; V556-L563 HydrophobicContact CG1-CD1 3.77Å; V556-A564 WeakPolarHBondContact CA-O 3.43Å; V556-F565 HydrophobicContact CG2-CD1 3.87Å; V556-F565 HydrophobicContact CG2-CE1 4.14Å; V556-L596 HydrophobicContact CB-CD1 4.43Å; V556-L596 HydrophobicContact CG1-CD1 4.04Å; V556-L596 HydrophobicContact CG1-CD2 4.33Å; V556-F598 HydrophobicContact CB-CZ 4.47Å; V556-F598 HydrophobicContact CG2-CE1 4.5Å; V556-F598 HydrophobicContact CG2-CZ 3.95Å; V556-L604 HydrophobicContact CG1-CD1 4.29Å; V556-L604 HydrophobicContact CG1-CD2 3.76Å; V556-L604 HydrophobicContact CG2-CD1 4.45Å; V556-L604 HydrophobicContact CG2-CD2 4.21Å
557	S	98.4	Very high	97.2	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	130.3	169.9	64.3	0	0	0	0	111.2	A544 H562 L563 A564 W566	A544-S557 WeakPolarHBondContact O-CA 3.47Å; S557-H562 PolarHBondContact OG-NE2 3.16Å; S557-L563 WeakPolarHBondContact O-CA 3.44Å; S557-A564 PolarHBondContact N-O 3.05Å; S557-A564 PolarHBondContact O-N 3.36Å; S557-W566 PolarHBondContact OG-NE1 3.26Å
558	G	98	Very high	97.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	157.5	173.3	0	0	0	0	0	112	I542 T543 A544 H562	I542-G558 WeakPolarHBondContact CG2-O 3.44Å; T543-G558 PolarHBondContact N-O 3.47Å; T543-G558 PolarHBondContact OG1-O 2.83Å; T543-G558 VanDerWaalsContact OG1-O 3.13Å; A544-G558 PolarHBondContact N-O 3.11Å; A544-G558 PolarHBondContact O-N 2.95Å; G558-H562 CarbonylContact C-O 3.55Å; G558-H562 WeakPolarHBondContact CA-O 3.35Å
559	G	97.9	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	-167.8	178.4	0	0	0	0	0	114.2	P541 T543 G561 H562 F592 I593	P541-G559 CarbonylContact O-C 3.58Å; P541-G559 WeakPolarHBondContact O-CA 2.99Å; T543-G559 WeakPolarHBondContact OG1-CA 3.32Å; T543-G559 PolarHBondContact OG1-N 3.48Å; G559-G561 PolarHBondContact O-N 3.23Å; G559-H562 PolarHBondContact N-O 3.01Å; G559-H562 PolarHBondContact O-N 3.39Å; G559-F592 WeakPolarHBondContact O-CA 3.06Å; G559-I593 PolarHBondContact O-N 3.24Å
560	K	97.7	Very high	96.9	Very high	67 Å²	67	29.8 Å²	29.8	29%	0.291	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-65.2	117.7	171.9	-175.8	-179.9	153.6	-153.9	0	109.9	E540 P541 H562 K591 F592	E540-K560 HydrophobicContact CB-CB 4.29Å; E540-K560 VanDerWaalsContact CD-CE 3.47Å; E540-K560 WeakPolarHBondContact OE1-CE 3.45Å; E540-K560 IonicContact OE1-NZ 3.53Å; E540-K560 PolarHBondContact OE1-NZ 2.67Å; E540-K560 WeakPolarHBondContact OE2-CD 3.45Å; E540-K560 VanDerWaalsContact OE2-CE 3.28Å; E540-K560 WeakPolarHBondContact OE2-CE 3.36Å; E540-K560 IonicContact OE2-NZ 3.39Å; E540-K560 PolarHBondContact OE2-NZ 3.26Å; P541-K560 PolarHBondContact O-N 3.35Å; K560-H562 PolarHBondContact O-N 3.04Å; K560-K591 CarbonylContact C-O 3.48Å; K560-K591 WeakPolarHBondContact CA-O 3.34Å; K560-F592 HydrophobicContact CB-CD1 3.59Å; K560-F592 HydrophobicContact CB-CE1 3.48Å; K560-F592 VanDerWaalsContact CB-CE1 3.48Å; K560-F592 HydrophobicContact CB-CG 4.26Å; K560-F592 HydrophobicContact CB-CZ 4.07Å; K560-F592 HydrophobicContact CD-CE1 4.09Å; K560-F592 HydrophobicContact CD-CZ 3.88Å; K560-F592 HydrophobicContact CG-CD1 4.14Å; K560-F592 HydrophobicContact CG-CE1 3.81Å; K560-F592 HydrophobicContact CG-CE2 4.21Å; K560-F592 HydrophobicContact CG-CG 4.49Å; K560-F592 HydrophobicContact CG-CZ 3.84Å
561	G	96.2	Very high	96.8	Very high	67 Å²	67	30.6 Å²	30.6	69%	0.691	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	12.6	-175.1	0	0	0	0	0	114.9	G559 K591	G559-G561 PolarHBondContact O-N 3.23Å; G561-K591 PolarHBondContact N-O 2.55Å
562	H	97.5	Very high	96.8	Very high	11 Å²	11	31.5 Å²	31.5	5%	0.051	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.6	-163.9	-177.4	76.6	0	0	0	111.6	I542 S557 G558 G559 K560	I542-H562 WeakPolarHBondContact CD1-CD2 3.32Å; S557-H562 PolarHBondContact OG-NE2 3.16Å; G558-H562 CarbonylContact C-O 3.55Å; G558-H562 WeakPolarHBondContact CA-O 3.35Å; G559-H562 PolarHBondContact N-O 3.01Å; G559-H562 PolarHBondContact O-N 3.39Å; K560-H562 PolarHBondContact O-N 3.04Å
563	L	98	Very high	97	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.016	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	114.2	160.2	-177.1	63.6	0	0	0	107.1	V556 S557 F565 M577 G578 F580 I593 L596 L604 T606 W616	V556-L563 HydrophobicContact CG1-CD1 3.77Å; S557-L563 WeakPolarHBondContact O-CA 3.44Å; L563-F565 HydrophobicContact CD2-CE2 4.05Å; L563-F565 HydrophobicContact CD2-CZ 4.37Å; L563-F565 HydrophobicContact CG-CE2 4.1Å; L563-M577 WeakPolarHBondContact O-CA 3.48Å; L563-M577 WeakPolarHBondContact O-CE 3.42Å; L563-G578 PolarHBondContact O-N 2.91Å; L563-F580 HydrophobicContact CB-CZ 4.35Å; L563-F580 HydrophobicContact CD2-CZ 4.29Å; L563-I593 HydrophobicContact CB-CG1 4.09Å; L563-I593 HydrophobicContact CD1-CG1 4.39Å; L563-L596 HydrophobicContact CD1-CD2 4.25Å; L563-L604 HydrophobicContact CD1-CD2 4.45Å; L563-T606 HydrophobicContact CD1-CG2 4.23Å; L563-T606 HydrophobicContact CD2-CG2 4.39Å; L563-W616 HydrophobicContact CD2-CD2 4.03Å; L563-W616 VanDerWaalsContact CD2-CE2 3.43Å; L563-W616 HydrophobicContact CD2-CE3 4.36Å; L563-W616 HydrophobicContact CD2-CH2 3.69Å; L563-W616 HydrophobicContact CD2-CZ2 3.26Å; L563-W616 HydrophobicContact CD2-CZ3 4.21Å
564	A	98.1	Very high	97	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.4	-178.9	0	0	0	0	0	110.6	V556 S557 W566 M577	V556-A564 WeakPolarHBondContact CA-O 3.43Å; S557-A564 PolarHBondContact N-O 3.05Å; S557-A564 PolarHBondContact O-N 3.36Å; A564-W566 HydrophobicContact CB-CZ2 4.32Å; A564-W566 VanDerWaalsContact O-CD1 3.25Å; A564-M577 HydrophobicContact CB-CE 4.35Å; A564-M577 HydrophobicContact CB-SD 3.99Å
565	F	98.1	Very high	97	Very high	23 Å²	23	34.7 Å²	34.7	10%	0.101	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	122.2	168.7	-62.9	-99.2	0	0	0	107.1	V556 L563 K576 L604 W616 N621	V556-F565 HydrophobicContact CG2-CD1 3.87Å; V556-F565 HydrophobicContact CG2-CE1 4.14Å; L563-F565 HydrophobicContact CD2-CE2 4.05Å; L563-F565 HydrophobicContact CD2-CZ 4.37Å; L563-F565 HydrophobicContact CG-CE2 4.1Å; F565-K576 PolarHBondContact N-O 2.67Å; F565-K576 PolarHBondContact O-N 2.92Å; F565-L604 HydrophobicContact CE1-CD2 3.76Å; F565-L604 HydrophobicContact CZ-CD2 3.74Å; F565-W616 HydrophobicContact CE1-CB 4.32Å; F565-W616 HydrophobicContact CE2-CD2 4.39Å; F565-W616 HydrophobicContact CE2-CE3 4.01Å; F565-W616 HydrophobicContact CE2-CZ3 4.47Å; F565-W616 HydrophobicContact CZ-CB 3.87Å; F565-W616 AromaticContact CZ-CD2 3.92Å; F565-W616 HydrophobicContact CZ-CD2 3.92Å; F565-W616 AromaticContact CZ-CE3 3.88Å; F565-W616 HydrophobicContact CZ-CE3 3.88Å; F565-W616 AromaticContact CZ-CG 3.93Å; F565-W616 HydrophobicContact CZ-CG 3.93Å; F565-N621 HydrophobicContact CB-CB 4.35Å; F565-N621 HydrophobicContact CD2-CB 3.54Å; F565-N621 HydrophobicContact CE2-CB 3.97Å; F565-N621 HydrophobicContact CG-CB 3.95Å
566	W	98.2	Very high	97	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.011	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.6	-175.1	-59.4	82	0	0	0	110.5	I521 T535 C537 T554 L555 S557 A564 L573 S574 K575	I521-W566 HydrophobicContact CG2-CH2 3.74Å; I521-W566 HydrophobicContact CG2-CZ2 4.03Å; I521-W566 HydrophobicContact CG2-CZ3 4.13Å; T535-W566 HydrophobicContact CG2-CH2 4.03Å; T535-W566 HydrophobicContact CG2-CZ3 3.56Å; C537-W566 HydrophobicContact CB-CZ2 4.3Å; T554-W566 WeakPolarHBondContact CA-O 3.37Å; L555-W566 HydrophobicContact CD1-CB 3.62Å; L555-W566 HydrophobicContact CD1-CG 3.65Å; L555-W566 HydrophobicContact CG-CB 3.89Å; L555-W566 HydrophobicContact CG-CG 4.46Å; L555-W566 PolarHBondContact N-O 3.19Å; L555-W566 VanDerWaalsContact N-O 3.09Å; L555-W566 WeakPolarHBondContact O-CB 3.25Å; L555-W566 PolarHBondContact O-N 3.1Å; S557-W566 PolarHBondContact OG-NE1 3.26Å; A564-W566 HydrophobicContact CB-CZ2 4.32Å; A564-W566 VanDerWaalsContact O-CD1 3.25Å; W566-L573 HydrophobicContact CB-CD2 3.98Å; W566-L573 HydrophobicContact CE3-CB 3.96Å; W566-L573 HydrophobicContact CE3-CD2 4.13Å; W566-L573 HydrophobicContact CE3-CG 4.49Å; W566-L573 HydrophobicContact CZ3-CB 4.22Å; W566-S574 CarbonylContact C-O 3.53Å; W566-S574 VanDerWaalsContact CA-O 3.25Å; W566-S574 WeakPolarHBondContact CA-O 3.49Å; W566-K575 HydrophobicContact CD2-CB 3.83Å; W566-K575 HydrophobicContact CE3-CB 3.59Å; W566-K575 HydrophobicContact CE3-CD 4.46Å; W566-K575 HydrophobicContact CH2-CB 4.07Å; W566-K575 HydrophobicContact CH2-CD 3.41Å; W566-K575 VanDerWaalsContact CH2-CD 3.41Å; W566-K575 HydrophobicContact CH2-CG 4.36Å; W566-K575 HydrophobicContact CZ2-CB 4.25Å; W566-K575 HydrophobicContact CZ2-CD 3.8Å; W566-K575 HydrophobicContact CZ3-CB 3.71Å; W566-K575 HydrophobicContact CZ3-CD 3.77Å; W566-K575 HydrophobicContact CZ3-CG 4.27Å
567	T	97.9	Very high	96.9	Very high	56 Å²	56	44.6 Å²	44.6	34%	0.344	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123	169.9	-55.3	0	0	0	0	109	A553 S574	A553-T567 CarbonylContact O-C 3.37Å; A553-T567 WeakPolarHBondContact O-CA 3.41Å; T567-S574 PolarHBondContact N-O 3.33Å; T567-S574 PolarHBondContact O-N 3.19Å; T567-S574 PolarHBondContact O-OG 3.02Å
568	F	97.4	Very high	96.8	Very high	12 Å²	12	44.9 Å²	44.9	5%	0.053	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117.8	178.3	174.1	-119	0	0	0	109.7	K509 I523 I532 T533 A553 G570 T572 L573	K509-F568 HydrophobicContact CD-CD1 4.29Å; K509-F568 HydrophobicContact CD-CE1 3.88Å; I523-F568 HydrophobicContact CD1-CB 4.06Å; I523-F568 HydrophobicContact CD1-CD1 4.13Å; I523-F568 HydrophobicContact CD1-CD2 3.62Å; I523-F568 HydrophobicContact CD1-CE2 4.07Å; I523-F568 HydrophobicContact CD1-CG 3.66Å; I523-F568 HydrophobicContact CD1-CZ 4.48Å; I523-F568 HydrophobicContact CG2-CZ 4.36Å; I532-F568 HydrophobicContact CG2-CE2 4.45Å; I532-F568 HydrophobicContact CG2-CZ 4Å; T533-F568 HydrophobicContact CG2-CD2 3.93Å; T533-F568 HydrophobicContact CG2-CE2 3.58Å; A553-F568 PolarHBondContact O-N 3.43Å; F568-G570 VanDerWaalsContact C-N 3.34Å; F568-G570 VanDerWaalsContact CE2-C 3.49Å; F568-G570 WeakPolarHBondContact CZ-O 3.48Å; F568-T572 WeakPolarHBondContact CA-O 3.27Å; F568-T572 WeakPolarHBondContact CD2-O 3.33Å; F568-L573 HydrophobicContact CB-CD2 4Å; F568-L573 HydrophobicContact CD2-CG 4.37Å
569	D	95.5	Very high	96.7	Very high	105 Å²	105	47.9 Å²	47.9	56%	0.561	28%	0.279	S	S	*	.			trans	-88.8	2.5	-176.8	64	27.9	0	0	0	114.1	C571 T572	D569-C571 WeakPolarHBondContact OD1-CA 3.48Å; D569-C571 PolarHBondContact OD1-N 3.31Å; D569-T572 PolarHBondContact N-O 2.64Å; D569-T572 PolarHBondContact OD1-N 3.21Å; D569-T572 PolarHBondContact OD2-OG1 2.88Å
570	G	92.5	Very high	96.6	Very high	36 Å²	36	48.9 Å²	48.9	37%	0.371	28%	0.283	S	S	.	.	S	Bend	trans	101.6	-20.2	-171.5	0	0	0	0	0	114.1	I532 F568	I532-G570 WeakPolarHBondContact CG2-O 3.27Å; F568-G570 VanDerWaalsContact C-N 3.34Å; F568-G570 VanDerWaalsContact CE2-C 3.49Å; F568-G570 WeakPolarHBondContact CZ-O 3.48Å
571	C	93.2	Very high	96.3	Very high	93 Å²	93	50.8 Å²	50.8	63%	0.628	29%	0.293	S	S	*	.	S	Bend	trans	-131.1	-28.2	-178.3	-64.1	0	0	0	0	114	T533 D569	T533-C571 VanDerWaalsContact CB-O 3.32Å; T533-C571 WeakPolarHBondContact CB-O 3.48Å; T533-C571 PolarHBondContact OG1-O 2.91Å; D569-C571 WeakPolarHBondContact OD1-CA 3.48Å; D569-C571 PolarHBondContact OD1-N 3.31Å
572	T	96.1	Very high	95.7	Very high	70 Å²	70	50.5 Å²	50.5	43%	0.429	28%	0.276	S	S	.	.			trans	-137.4	159.9	-174.8	89.2	0	0	0	0	112.2	F568 D569	F568-T572 WeakPolarHBondContact CA-O 3.27Å; F568-T572 WeakPolarHBondContact CD2-O 3.33Å; D569-T572 PolarHBondContact N-O 2.64Å; D569-T572 PolarHBondContact OD1-N 3.21Å; D569-T572 PolarHBondContact OD2-OG1 2.88Å
573	L	97.4	Very high	94.8	Very high	18 Å²	18	53.4 Å²	53.4	9%	0.094	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	112.7	176.1	-90.6	170	0	0	0	110.5	I521 I523 T533 T535 L555 W566 F568	I521-L573 HydrophobicContact CG1-CD1 4.32Å; I521-L573 HydrophobicContact CG2-CD1 4.3Å; I523-L573 HydrophobicContact CD1-CD1 3.95Å; I523-L573 HydrophobicContact CD1-CD2 3.94Å; I523-L573 HydrophobicContact CD1-CG 4.03Å; I523-L573 HydrophobicContact CG1-CD1 4.19Å; T533-L573 HydrophobicContact CG2-CD1 4.06Å; T533-L573 HydrophobicContact CG2-CG 4.03Å; T535-L573 HydrophobicContact CG2-CB 3.75Å; T535-L573 HydrophobicContact CG2-CD1 4.15Å; L555-L573 HydrophobicContact CD2-CD2 4.29Å; W566-L573 HydrophobicContact CB-CD2 3.98Å; W566-L573 HydrophobicContact CE3-CB 3.96Å; W566-L573 HydrophobicContact CE3-CD2 4.13Å; W566-L573 HydrophobicContact CE3-CG 4.49Å; W566-L573 HydrophobicContact CZ3-CB 4.22Å; F568-L573 HydrophobicContact CB-CD2 4Å; F568-L573 HydrophobicContact CD2-CG 4.37Å
574	S	96.8	Very high	94	Very high	60 Å²	60	63 Å²	63	42%	0.42	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	140.8	173.6	66.4	0	0	0	0	110.6	W566 T567	W566-S574 CarbonylContact C-O 3.53Å; W566-S574 VanDerWaalsContact CA-O 3.25Å; W566-S574 WeakPolarHBondContact CA-O 3.49Å; T567-S574 PolarHBondContact N-O 3.33Å; T567-S574 PolarHBondContact O-N 3.19Å; T567-S574 PolarHBondContact O-OG 3.02Å
575	K	96	Very high	93.3	Very high	103 Å²	103	69.9 Å²	69.9	45%	0.448	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.5	-176.4	76	-170.6	-175	-174.3	0	114.5	K536 C537 W566	K536-K575 PolarHBondContact O-NZ 2.79Å; C537-K575 PolarHBondContact O-NZ 2.92Å; W566-K575 HydrophobicContact CD2-CB 3.83Å; W566-K575 HydrophobicContact CE3-CB 3.59Å; W566-K575 HydrophobicContact CE3-CD 4.46Å; W566-K575 HydrophobicContact CH2-CB 4.07Å; W566-K575 HydrophobicContact CH2-CD 3.41Å; W566-K575 VanDerWaalsContact CH2-CD 3.41Å; W566-K575 HydrophobicContact CH2-CG 4.36Å; W566-K575 HydrophobicContact CZ2-CB 4.25Å; W566-K575 HydrophobicContact CZ2-CD 3.8Å; W566-K575 HydrophobicContact CZ3-CB 3.71Å; W566-K575 HydrophobicContact CZ3-CD 3.77Å; W566-K575 HydrophobicContact CZ3-CG 4.27Å
576	K	97.5	Very high	92.9	Very high	121 Å²	121	74 Å²	74	53%	0.526	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125.7	169.9	-64.3	173	-175.7	167.4	0	108.3	F565 N621	F565-K576 PolarHBondContact N-O 2.67Å; F565-K576 PolarHBondContact O-N 2.92Å; K576-N621 HydrophobicContact CB-CB 4.4Å
577	M	97.1	Very high	92.5	Very high	88 Å²	88	75 Å²	75	43%	0.433	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	151	177.5	-58.2	-51.6	-64	0	0	111.1	L563 A564 I579 N621	L563-M577 WeakPolarHBondContact O-CA 3.48Å; L563-M577 WeakPolarHBondContact O-CE 3.42Å; A564-M577 HydrophobicContact CB-CE 4.35Å; A564-M577 HydrophobicContact CB-SD 3.99Å; M577-I579 PolarHBondContact O-N 3.01Å; M577-N621 PolarHBondContact O-ND2 3.47Å
578	G	96.5	Very high	92.2	Very high	7 Å²	7	81 Å²	81	7%	0.072	44%	0.441	C	S	.	.			trans	-60.3	128.2	171	0	0	0	0	0	112	L563 F580	L563-G578 PolarHBondContact O-N 2.91Å; G578-F580 VanDerWaalsContact O-CD2 3.32Å; G578-F580 WeakPolarHBondContact O-CD2 3.39Å
579	I	96	Very high	92	Very high	63 Å²	63	87.6 Å²	87.6	32%	0.323	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-94.1	103.8	174.4	-62.1	169.9	0	0	0	107.4	M577 E581 W616 N621 T622 V623	M577-I579 PolarHBondContact O-N 3.01Å; I579-E581 HydrophobicContact CG2-CB 3.96Å; I579-E581 HydrophobicContact CG2-CG 3.9Å; I579-E581 PolarHBondContact O-N 2.62Å; I579-W616 WeakPolarHBondContact O-CZ3 3.24Å; I579-N621 WeakPolarHBondContact CD1-ND2 3.33Å; I579-N621 PolarHBondContact N-O 2.72Å; I579-T622 HydrophobicContact CB-CG2 4.05Å; I579-T622 HydrophobicContact CD1-CG2 4.08Å; I579-T622 HydrophobicContact CG2-CG2 4.32Å; I579-V623 PolarHBondContact O-N 3.03Å
580	F	94.5	Very high	91.9	Very high	20 Å²	20	83.3 Å²	83.3	9%	0.088	45%	0.448	C	S	.	.			trans	-79.8	62.6	179.9	-68.2	-97.7	0	0	0	110.5	L563 G578 I587 K589 P590 I614 W616	L563-F580 HydrophobicContact CB-CZ 4.35Å; L563-F580 HydrophobicContact CD2-CZ 4.29Å; G578-F580 VanDerWaalsContact O-CD2 3.32Å; G578-F580 WeakPolarHBondContact O-CD2 3.39Å; F580-I587 HydrophobicContact CB-CB 4.3Å; F580-I587 PolarHBondContact O-N 2.8Å; F580-K589 HydrophobicContact CB-CG 3.95Å; F580-K589 HydrophobicContact CD2-CD 4.18Å; F580-K589 HydrophobicContact CD2-CG 3.87Å; F580-K589 HydrophobicContact CG-CG 3.86Å; F580-P590 HydrophobicContact CE1-CG 3.92Å; F580-P590 HydrophobicContact CZ-CG 4.42Å; F580-I614 HydrophobicContact CD1-CD1 4.33Å; F580-I614 HydrophobicContact CE1-CD1 4.01Å; F580-W616 AromaticContact CD1-CH2 3.78Å; F580-W616 HydrophobicContact CD1-CH2 3.78Å; F580-W616 HydrophobicContact CD1-CZ2 4.1Å; F580-W616 HydrophobicContact CD2-CH2 4.04Å; F580-W616 AromaticContact CE1-CH2 3.62Å; F580-W616 HydrophobicContact CE1-CH2 3.62Å; F580-W616 AromaticContact CE1-CZ2 3.62Å; F580-W616 HydrophobicContact CE1-CZ2 3.62Å; F580-W616 AromaticContact CE2-CH2 3.9Å; F580-W616 HydrophobicContact CE2-CH2 3.9Å; F580-W616 AromaticContact CG-CH2 3.99Å; F580-W616 HydrophobicContact CG-CH2 3.99Å; F580-W616 AromaticContact CZ-CH2 3.68Å; F580-W616 HydrophobicContact CZ-CH2 3.68Å; F580-W616 AromaticContact CZ-CZ2 3.86Å; F580-W616 HydrophobicContact CZ-CZ2 3.86Å
581	E	91.3	Very high	92.1	Very high	107 Å²	107	88.7 Å²	88.7	50%	0.5	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	130.6	177.7	-61.1	174.3	-168.9	0	0	108	I579 Q585	I579-E581 HydrophobicContact CG2-CB 3.96Å; I579-E581 HydrophobicContact CG2-CG 3.9Å; I579-E581 PolarHBondContact O-N 2.62Å; E581-Q585 CarbonylContact C-O 3.59Å; E581-Q585 WeakPolarHBondContact CA-O 3.42Å
582	N	83.3	Confident	92.3	Very high	61 Å²	61	87 Å²	87	33%	0.326	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	103.8	171.1	-172.3	-11.1	0	0	0	108.8	K584 Q585 I587 V623	N582-K584 PolarHBondContact O-N 3.38Å; N582-Q585 PolarHBondContact N-O 3.07Å; N582-Q585 PolarHBondContact O-N 3.3Å; N582-I587 HydrophobicContact CB-CD1 3.94Å; N582-V623 HydrophobicContact CB-CG1 4.4Å
583	G	80.5	Confident	92.4	Very high	72 Å²	72	83.8 Å²	83.8	74%	0.742	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	-83.6	-177	0	0	0	0	0	113.6
584	K	79.2	Confident	92.4	Very high	205 Å²	205	83.9 Å²	83.9	89%	0.891	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.9	2.8	175.5	-68.8	-173.2	178.1	-179.1	0	113.4	N582	N582-K584 PolarHBondContact O-N 3.38Å
585	Q	85.1	Confident	92.4	Very high	144 Å²	144	81.1 Å²	81.1	67%	0.673	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	120.4	-179.9	-67.1	-177.4	-8.1	0	0	109.4	E581 N582	E581-Q585 CarbonylContact C-O 3.59Å; E581-Q585 WeakPolarHBondContact CA-O 3.42Å; N582-Q585 PolarHBondContact N-O 3.07Å; N582-Q585 PolarHBondContact O-N 3.3Å
586	P	88.8	Confident	92.5	Very high	110 Å²	110	76.8 Å²	76.8	71%	0.714	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	141.8	173.1	30.4	-33.9	0	0	0	110.1
587	I	90.7	Very high	92.4	Very high	24 Å²	24	72.1 Å²	72.1	12%	0.123	37%	0.368	C	S	.	.			trans	-107	139	175.4	-67.5	169.6	0	0	0	108.1	F580 N582 K589 V623 I626	F580-I587 HydrophobicContact CB-CB 4.3Å; F580-I587 PolarHBondContact O-N 2.8Å; N582-I587 HydrophobicContact CB-CD1 3.94Å; I587-K589 PolarHBondContact O-N 2.88Å; I587-V623 HydrophobicContact CD1-CB 4.05Å; I587-V623 HydrophobicContact CD1-CG1 3.72Å; I587-V623 HydrophobicContact CD1-CG2 4.08Å; I587-I626 HydrophobicContact CD1-CB 4.47Å; I587-I626 HydrophobicContact CD1-CD1 4.31Å; I587-I626 HydrophobicContact CD1-CG2 4.1Å; I587-I626 HydrophobicContact CG2-CD1 3.86Å
588	E	91.2	Very high	92.4	Very high	181 Å²	181	69 Å²	69	85%	0.846	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-62.3	129.7	174.7	-173.6	173.2	177.5	0	0	110.2	P590	E588-P590 WeakPolarHBondContact O-CD 3.04Å
589	K	92.8	Very high	92.2	Very high	151 Å²	151	69.6 Å²	69.6	66%	0.657	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-76.3	120.4	-176.6	-66.9	-174.5	178.6	-178.2	0	109.9	F580 I587	F580-K589 HydrophobicContact CB-CG 3.95Å; F580-K589 HydrophobicContact CD2-CD 4.18Å; F580-K589 HydrophobicContact CD2-CG 3.87Å; F580-K589 HydrophobicContact CG-CG 3.86Å; I587-K589 PolarHBondContact O-N 2.88Å
590	P	94.1	Very high	91.9	Very high	15 Å²	15	74.2 Å²	74.2	10%	0.097	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-67.9	149	-179.4	28	-34.3	0	0	0	111.8	F580 E588 F592 I593 D608	F580-P590 HydrophobicContact CE1-CG 3.92Å; F580-P590 HydrophobicContact CZ-CG 4.42Å; E588-P590 WeakPolarHBondContact O-CD 3.04Å; P590-F592 VanDerWaalsContact C-N 3.3Å; P590-F592 PolarHBondContact O-N 2.8Å; P590-I593 HydrophobicContact CG-CD1 3.75Å; P590-D608 HydrophobicContact CB-CB 3.62Å; P590-D608 WeakPolarHBondContact CB-OD2 3.28Å; P590-D608 HydrophobicContact CG-CB 3.78Å
591	K	96.3	Very high	91.8	Very high	149 Å²	149	77.3 Å²	77.3	65%	0.648	39%	0.394	S	S	*	.	S	Bend	trans	-63.5	-34.5	179.8	-170.5	-176.8	179.1	-177.8	0	112.5	K560 G561 S609	K560-K591 CarbonylContact C-O 3.48Å; K560-K591 WeakPolarHBondContact CA-O 3.34Å; G561-K591 PolarHBondContact N-O 2.55Å; K591-S609 PolarHBondContact N-OG 2.86Å; K591-S609 VanDerWaalsContact N-OG 3.11Å
592	F	97.5	Very high	91.9	Very high	57 Å²	57	72.3 Å²	72.3	25%	0.25	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-138.7	143.6	169.6	-62.5	-111.1	0	0	0	110.1	T543 G559 K560 P590 L594 D608 S609	T543-F592 HydrophobicContact CG2-CD1 4.37Å; G559-F592 WeakPolarHBondContact O-CA 3.06Å; K560-F592 HydrophobicContact CB-CD1 3.59Å; K560-F592 HydrophobicContact CB-CE1 3.48Å; K560-F592 VanDerWaalsContact CB-CE1 3.48Å; K560-F592 HydrophobicContact CB-CG 4.26Å; K560-F592 HydrophobicContact CB-CZ 4.07Å; K560-F592 HydrophobicContact CD-CE1 4.09Å; K560-F592 HydrophobicContact CD-CZ 3.88Å; K560-F592 HydrophobicContact CG-CD1 4.14Å; K560-F592 HydrophobicContact CG-CE1 3.81Å; K560-F592 HydrophobicContact CG-CE2 4.21Å; K560-F592 HydrophobicContact CG-CG 4.49Å; K560-F592 HydrophobicContact CG-CZ 3.84Å; P590-F592 VanDerWaalsContact C-N 3.3Å; P590-F592 PolarHBondContact O-N 2.8Å; F592-L594 HydrophobicContact CB-CD2 3.7Å; F592-L594 HydrophobicContact CB-CG 4.09Å; F592-L594 HydrophobicContact CD1-CD2 4.47Å; F592-L594 HydrophobicContact CG-CD2 4.22Å; F592-D608 WeakPolarHBondContact O-CA 3.2Å; F592-S609 PolarHBondContact N-OG 3.09Å; F592-S609 PolarHBondContact O-N 2.89Å; F592-S609 PolarHBondContact O-OG 2.86Å
593	I	98.2	Very high	92.5	Very high	3 Å²	3	70.5 Å²	70.5	2%	0.015	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	131.3	146.8	-58.5	-55.6	0	0	0	107	T543 G559 L563 P590 L596 T606 D608	T543-I593 WeakPolarHBondContact CB-O 3.49Å; T543-I593 WeakPolarHBondContact CG2-O 3.47Å; T543-I593 PolarHBondContact OG1-O 3.38Å; G559-I593 PolarHBondContact O-N 3.24Å; L563-I593 HydrophobicContact CB-CG1 4.09Å; L563-I593 HydrophobicContact CD1-CG1 4.39Å; P590-I593 HydrophobicContact CG-CD1 3.75Å; I593-L596 HydrophobicContact CG2-CD2 3.75Å; I593-T606 HydrophobicContact CG2-CG2 4.16Å; I593-D608 HydrophobicContact CD1-CB 4.08Å
594	L	97.3	Very high	93.3	Very high	21 Å²	21	67.2 Å²	67.2	11%	0.11	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-35.4	-170.7	-69.6	176.5	0	0	0	112.8	F592 G607 I635 F636	F592-L594 HydrophobicContact CB-CD2 3.7Å; F592-L594 HydrophobicContact CB-CG 4.09Å; F592-L594 HydrophobicContact CD1-CD2 4.47Å; F592-L594 HydrophobicContact CG-CD2 4.22Å; L594-G607 PolarHBondContact N-O 2.94Å; L594-I635 WeakPolarHBondContact CB-O 3.46Å; L594-F636 HydrophobicContact CB-CD1 4.33Å; L594-F636 HydrophobicContact CD1-CD1 3.9Å; L594-F636 HydrophobicContact CD1-CE1 3.83Å; L594-F636 HydrophobicContact CD2-CD1 4.31Å; L594-F636 HydrophobicContact CD2-CE1 4.02Å; L594-F636 HydrophobicContact CG-CD1 4.42Å; L594-F636 HydrophobicContact CG-CE1 4.45Å
595	C	97.5	Very high	94.2	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.014	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	156.4	176.3	56.2	0	0	0	0	111.8	T606 G607 I635 F636	C595-T606 WeakPolarHBondContact O-CA 3.49Å; C595-G607 PolarHBondContact N-O 3.14Å; C595-G607 PolarHBondContact O-N 2.76Å; C595-G607 VanDerWaalsContact O-N 3.09Å; C595-I635 PolarHBondContact SG-O 2.9Å; C595-F636 WeakPolarHBondContact CB-O 3.29Å
596	L	97.4	Very high	94.8	Very high	11 Å²	11	50.6 Å²	50.6	6%	0.058	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148.7	177.9	-53.1	176.4	0	0	0	108.2	A544 E546 V556 L563 I593 L604 T606	A544-L596 HydrophobicContact CB-CD1 3.83Å; A544-L596 HydrophobicContact CB-CG 3.94Å; E546-L596 HydrophobicContact CB-CD1 4.45Å; V556-L596 HydrophobicContact CB-CD1 4.43Å; V556-L596 HydrophobicContact CG1-CD1 4.04Å; V556-L596 HydrophobicContact CG1-CD2 4.33Å; L563-L596 HydrophobicContact CD1-CD2 4.25Å; I593-L596 HydrophobicContact CG2-CD2 3.75Å; L596-L604 HydrophobicContact CB-CD1 4.23Å; L596-L604 HydrophobicContact CD2-CD1 4.3Å; L596-T606 HydrophobicContact CD2-CG2 3.49Å; L596-T606 VanDerWaalsContact CD2-CG2 3.49Å
597	T	96.2	Very high	95.2	Very high	24 Å²	24	45.4 Å²	45.4	15%	0.147	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	166.3	161.2	-167.2	0	0	0	0	109.3	L605 L638 L640	T597-L605 HydrophobicContact CG2-CB 3.92Å; T597-L605 HydrophobicContact CG2-CD1 4.31Å; T597-L605 HydrophobicContact CG2-CG 4.49Å; T597-L605 PolarHBondContact N-O 3.09Å; T597-L605 PolarHBondContact O-N 3.29Å; T597-L638 HydrophobicContact CG2-CB 3.66Å; T597-L638 HydrophobicContact CG2-CD1 4.17Å; T597-L640 HydrophobicContact CG2-CD1 3.94Å; T597-L640 HydrophobicContact CG2-CG 4.29Å
598	F	95.3	Very high	95.5	Very high	21 Å²	21	44.3 Å²	44.3	9%	0.092	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.2	179.7	-71.7	-86.3	0	0	0	111.6	E546 H548 P549 V556 D603 L604 L640	E546-F598 HydrophobicContact CB-CE2 4.05Å; E546-F598 HydrophobicContact CG-CD2 4.28Å; E546-F598 HydrophobicContact CG-CE2 3.86Å; H548-F598 HydrophobicContact CB-CE1 4.31Å; H548-F598 HydrophobicContact CB-CZ 4.17Å; H548-F598 AromaticContact CD2-CD1 3.94Å; H548-F598 AromaticContact CD2-CE1 3.55Å; P549-F598 HydrophobicContact CG-CB 3.62Å; P549-F598 HydrophobicContact CG-CD1 4.43Å; P549-F598 HydrophobicContact CG-CD2 4.29Å; P549-F598 HydrophobicContact CG-CG 3.9Å; V556-F598 HydrophobicContact CB-CZ 4.47Å; V556-F598 HydrophobicContact CG2-CE1 4.5Å; V556-F598 HydrophobicContact CG2-CZ 3.95Å; F598-D603 WeakPolarHBondContact CA-O 3.42Å; F598-L604 HydrophobicContact CD1-CB 4.01Å; F598-L604 HydrophobicContact CD1-CD1 4.22Å; F598-L604 HydrophobicContact CE1-CB 3.76Å; F598-L604 HydrophobicContact CE1-CD1 3.8Å; F598-L604 HydrophobicContact CE1-CG 4.39Å; F598-L604 HydrophobicContact CE2-CD1 4.14Å; F598-L604 HydrophobicContact CZ-CD1 3.76Å; F598-L640 VanDerWaalsContact C-CD1 3.46Å; F598-L640 WeakPolarHBondContact O-CD1 3.39Å
599	A	93.3	Very high	95.8	Very high	21 Å²	21	37.3 Å²	37.3	17%	0.174	18%	0.184	C	C	.	.			trans	-67.9	161.6	170.6	0	0	0	0	0	111.5	N601 G602 D603 L605	A599-N601 WeakPolarHBondContact CB-OD1 3.39Å; A599-N601 PolarHBondContact O-N 3Å; A599-N601 VanDerWaalsContact O-N 3.1Å; A599-G602 WeakPolarHBondContact O-CA 3.47Å; A599-G602 PolarHBondContact O-N 3.01Å; A599-D603 PolarHBondContact N-O 3.02Å; A599-L605 HydrophobicContact CB-CD1 4.42Å
600	E	90.2	Very high	96	Very high	159 Å²	159	32.8 Å²	32.8	74%	0.743	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-27	-175.9	-62.1	-177.9	-179.5	0	0	114	G602	E600-G602 VanDerWaalsContact C-N 3.27Å; E600-G602 PolarHBondContact O-N 3.39Å
601	N	91.4	Very high	96.1	Very high	86 Å²	86	32.1 Å²	32.1	46%	0.46	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-11.4	175	67.7	-8.5	0	0	0	113.7	A599 D603 R618	A599-N601 WeakPolarHBondContact CB-OD1 3.39Å; A599-N601 PolarHBondContact O-N 3Å; A599-N601 VanDerWaalsContact O-N 3.1Å; N601-D603 VanDerWaalsContact ND2-CG 3.27Å; N601-D603 PolarHBondContact ND2-OD2 2.83Å; N601-D603 WeakPolarHBondContact OD1-CB 3.39Å; N601-D603 PolarHBondContact OD1-N 3.19Å; N601-R618 WeakPolarHBondContact O-CD 3.48Å
602	G	94	Very high	96.1	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.01	15%	0.145	C	C	.	.	S	Bend	trans	87.3	10.7	-174.1	0	0	0	0	0	114.9	H548 A599 E600	H548-G602 PolarHBondContact NE2-O 3.1Å; H548-G602 VanDerWaalsContact NE2-O 3.16Å; A599-G602 WeakPolarHBondContact O-CA 3.47Å; A599-G602 PolarHBondContact O-N 3.01Å; E600-G602 VanDerWaalsContact C-N 3.27Å; E600-G602 PolarHBondContact O-N 3.39Å
603	D	95.2	Very high	96.1	Very high	23 Å²	23	23.7 Å²	23.7	12%	0.123	14%	0.135	C	C	.	.			trans	-68.5	135.2	166.7	-69.2	-18.1	0	0	0	109.4	F598 A599 N601 W616 K617 R618	F598-D603 WeakPolarHBondContact CA-O 3.42Å; A599-D603 PolarHBondContact N-O 3.02Å; N601-D603 VanDerWaalsContact ND2-CG 3.27Å; N601-D603 PolarHBondContact ND2-OD2 2.83Å; N601-D603 WeakPolarHBondContact OD1-CB 3.39Å; N601-D603 PolarHBondContact OD1-N 3.19Å; D603-W616 WeakPolarHBondContact CA-O 3.36Å; D603-K617 VanDerWaalsContact OD1-CA 3.32Å; D603-K617 WeakPolarHBondContact OD1-CA 3.35Å; D603-R618 PolarHBondContact OD1-N 2.87Å
604	L	97.7	Very high	96	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.016	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	133.6	176.2	170.6	80.4	0	0	0	109.2	V556 L563 F565 L596 F598 T606 A615 W616	V556-L604 HydrophobicContact CG1-CD1 4.29Å; V556-L604 HydrophobicContact CG1-CD2 3.76Å; V556-L604 HydrophobicContact CG2-CD1 4.45Å; V556-L604 HydrophobicContact CG2-CD2 4.21Å; L563-L604 HydrophobicContact CD1-CD2 4.45Å; F565-L604 HydrophobicContact CE1-CD2 3.76Å; F565-L604 HydrophobicContact CZ-CD2 3.74Å; L596-L604 HydrophobicContact CB-CD1 4.23Å; L596-L604 HydrophobicContact CD2-CD1 4.3Å; F598-L604 HydrophobicContact CD1-CB 4.01Å; F598-L604 HydrophobicContact CD1-CD1 4.22Å; F598-L604 HydrophobicContact CE1-CB 3.76Å; F598-L604 HydrophobicContact CE1-CD1 3.8Å; F598-L604 HydrophobicContact CE1-CG 4.39Å; F598-L604 HydrophobicContact CE2-CD1 4.14Å; F598-L604 HydrophobicContact CZ-CD1 3.76Å; L604-T606 HydrophobicContact CD1-CG2 4.34Å; L604-T606 HydrophobicContact CD2-CG2 3.65Å; L604-T606 HydrophobicContact CG-CG2 3.85Å; L604-A615 CarbonylContact O-C 3.29Å; L604-A615 WeakPolarHBondContact O-CA 3.42Å; L604-W616 HydrophobicContact CB-CB 4.2Å; L604-W616 HydrophobicContact CD2-CB 4.35Å; L604-W616 HydrophobicContact CD2-CG 4.14Å; L604-W616 PolarHBondContact N-O 3.34Å; L604-W616 PolarHBondContact O-N 3.2Å
605	L	97.4	Very high	95.9	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.3	169.8	-49.2	-177.9	0	0	0	109.1	T597 A599 I614 A615 L638 L640 L646 L663	T597-L605 HydrophobicContact CG2-CB 3.92Å; T597-L605 HydrophobicContact CG2-CD1 4.31Å; T597-L605 HydrophobicContact CG2-CG 4.49Å; T597-L605 PolarHBondContact N-O 3.09Å; T597-L605 PolarHBondContact O-N 3.29Å; A599-L605 HydrophobicContact CB-CD1 4.42Å; L605-I614 WeakPolarHBondContact CA-O 3.22Å; L605-A615 HydrophobicContact CD2-CB 3.61Å; L605-L638 HydrophobicContact CB-CD1 4.09Å; L605-L640 HydrophobicContact CD1-CD1 4.26Å; L605-L640 HydrophobicContact CD1-CD2 4.4Å; L605-L646 HydrophobicContact CD1-CD2 4.05Å; L605-L663 HydrophobicContact CD1-CD1 4.27Å; L605-L663 HydrophobicContact CD1-CD2 4Å; L605-L663 HydrophobicContact CD2-CD1 3.71Å
606	T	98.2	Very high	95.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.8	179.2	61.1	0	0	0	0	111.5	L563 I593 C595 L596 L604 I614 W616	L563-T606 HydrophobicContact CD1-CG2 4.23Å; L563-T606 HydrophobicContact CD2-CG2 4.39Å; I593-T606 HydrophobicContact CG2-CG2 4.16Å; C595-T606 WeakPolarHBondContact O-CA 3.49Å; L596-T606 HydrophobicContact CD2-CG2 3.49Å; L596-T606 VanDerWaalsContact CD2-CG2 3.49Å; L604-T606 HydrophobicContact CD1-CG2 4.34Å; L604-T606 HydrophobicContact CD2-CG2 3.65Å; L604-T606 HydrophobicContact CG-CG2 3.85Å; T606-I614 PolarHBondContact N-O 3.18Å; T606-I614 PolarHBondContact O-N 2.95Å; T606-I614 PolarHBondContact OG1-O 3.43Å; T606-W616 PolarHBondContact OG1-NE1 2.97Å
607	G	97.7	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	-91.5	132.4	168.7	0	0	0	0	0	110.6	L594 C595	L594-G607 PolarHBondContact N-O 2.94Å; C595-G607 PolarHBondContact N-O 3.14Å; C595-G607 PolarHBondContact O-N 2.76Å; C595-G607 VanDerWaalsContact O-N 3.09Å
608	D	97.6	Very high	95.7	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	172.5	-171.9	84.5	12	0	0	0	114.5	P590 F592 I593 A610 G611 N612 G634 I635	P590-D608 HydrophobicContact CB-CB 3.62Å; P590-D608 WeakPolarHBondContact CB-OD2 3.28Å; P590-D608 HydrophobicContact CG-CB 3.78Å; F592-D608 WeakPolarHBondContact O-CA 3.2Å; I593-D608 HydrophobicContact CD1-CB 4.08Å; D608-A610 PolarHBondContact O-N 3.47Å; D608-A610 WeakPolarHBondContact OD1-CA 3.23Å; D608-A610 PolarHBondContact OD1-N 3Å; D608-G611 PolarHBondContact OD1-N 3.49Å; D608-N612 PolarHBondContact N-O 3.04Å; D608-N612 PolarHBondContact OD1-N 2.97Å; D608-N612 PolarHBondContact OD1-ND2 2.8Å; D608-N612 WeakPolarHBondContact OD2-CB 3.24Å; D608-N612 PolarHBondContact OD2-ND2 3.31Å; D608-G634 VanDerWaalsContact O-CA 3.26Å; D608-G634 WeakPolarHBondContact O-CA 3.28Å; D608-I635 PolarHBondContact O-N 2.81Å
609	S	97	Very high	95.6	Very high	34 Å²	34	35 Å²	35	24%	0.238	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-14	179.3	58.3	0	0	0	0	116	K591 F592 G634	K591-S609 PolarHBondContact N-OG 2.86Å; K591-S609 VanDerWaalsContact N-OG 3.11Å; F592-S609 PolarHBondContact N-OG 3.09Å; F592-S609 PolarHBondContact O-N 2.89Å; F592-S609 PolarHBondContact O-OG 2.86Å; S609-G634 PolarHBondContact O-N 3.22Å
610	A	96.4	Very high	95.6	Very high	57 Å²	57	36.3 Å²	36.3	47%	0.471	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	2.6	-176.1	0	0	0	0	0	112.7	D608	D608-A610 PolarHBondContact O-N 3.47Å; D608-A610 WeakPolarHBondContact OD1-CA 3.23Å; D608-A610 PolarHBondContact OD1-N 3Å
611	G	96.6	Very high	95.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	88.3	17.8	177.4	0	0	0	0	0	114	D608 V630 H631 G633	D608-G611 PolarHBondContact OD1-N 3.49Å; G611-V630 WeakPolarHBondContact O-CB 3.47Å; G611-V630 PolarHBondContact O-N 3.12Å; G611-H631 PolarHBondContact O-N 2.71Å; G611-G633 WeakPolarHBondContact CA-O 3.02Å; G611-G633 PolarHBondContact N-O 3.34Å
612	N	96.7	Very high	96	Very high	23 Å²	23	28.7 Å²	28.7	12%	0.123	18%	0.175	C	C	.	.			trans	-99.4	148.5	178.8	-41.9	-64.3	0	0	0	111.8	D608 I614 I626 C627 Q628 G629 I635	D608-N612 PolarHBondContact N-O 3.04Å; D608-N612 PolarHBondContact OD1-N 2.97Å; D608-N612 PolarHBondContact OD1-ND2 2.8Å; D608-N612 WeakPolarHBondContact OD2-CB 3.24Å; D608-N612 PolarHBondContact OD2-ND2 3.31Å; N612-I614 HydrophobicContact CB-CG1 4.37Å; N612-I626 HydrophobicContact CB-CD1 4.2Å; N612-I626 HydrophobicContact CB-CG1 4.28Å; N612-C627 VanDerWaalsContact CA-O 3.31Å; N612-C627 WeakPolarHBondContact CA-O 3.19Å; N612-Q628 VanDerWaalsContact OD1-CA 3.25Å; N612-Q628 WeakPolarHBondContact OD1-CA 3.15Å; N612-G629 PolarHBondContact OD1-N 2.69Å; N612-I635 WeakPolarHBondContact O-CD1 3.25Å
613	I	96.8	Very high	96	Very high	6 Å²	6	29 Å²	29	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123.6	162.6	-54.9	176.2	0	0	0	107.2	I626 C627 V630 I635 L638 L646 F659	I613-I626 WeakPolarHBondContact O-CA 3.35Å; I613-C627 HydrophobicContact CB-CB 4.31Å; I613-C627 PolarHBondContact N-O 3.08Å; I613-C627 PolarHBondContact O-N 2.91Å; I613-V630 HydrophobicContact CD1-CG1 4.33Å; I613-V630 HydrophobicContact CD1-CG2 4.23Å; I613-V630 HydrophobicContact CG1-CG2 4.14Å; I613-I635 HydrophobicContact CD1-CD1 4.39Å; I613-I635 HydrophobicContact CG1-CD1 3.5Å; I613-I635 VanDerWaalsContact CG1-CD1 3.5Å; I613-L638 HydrophobicContact CD1-CD2 3.99Å; I613-L638 HydrophobicContact CG1-CD2 4.17Å; I613-L638 HydrophobicContact CG2-CD1 4.35Å; I613-L646 HydrophobicContact CD1-CD2 4.08Å; I613-L646 HydrophobicContact CG2-CD2 4.41Å; I613-F659 HydrophobicContact CD1-CD2 4.36Å; I613-F659 HydrophobicContact CD1-CE1 4.29Å; I613-F659 HydrophobicContact CD1-CE2 3.61Å; I613-F659 HydrophobicContact CD1-CZ 3.57Å
614	I	96.2	Very high	95.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.4	-180	-46.6	175.2	0	0	0	108.7	F580 L605 T606 N612 W616 V623 I626	F580-I614 HydrophobicContact CD1-CD1 4.33Å; F580-I614 HydrophobicContact CE1-CD1 4.01Å; L605-I614 WeakPolarHBondContact CA-O 3.22Å; T606-I614 PolarHBondContact N-O 3.18Å; T606-I614 PolarHBondContact O-N 2.95Å; T606-I614 PolarHBondContact OG1-O 3.43Å; N612-I614 HydrophobicContact CB-CG1 4.37Å; I614-W616 HydrophobicContact CB-CZ2 4.38Å; I614-W616 HydrophobicContact CD1-CZ2 4.4Å; I614-W616 HydrophobicContact CG2-CD2 4.42Å; I614-W616 HydrophobicContact CG2-CZ2 3.76Å; I614-W616 PolarHBondContact O-NE1 3.08Å; I614-V623 HydrophobicContact CG2-CB 4.23Å; I614-V623 HydrophobicContact CG2-CG1 3.62Å; I614-V623 HydrophobicContact CG2-CG2 3.63Å; I614-I626 HydrophobicContact CD1-CD1 4.39Å; I614-I626 HydrophobicContact CG1-CD1 4Å; I614-I626 HydrophobicContact CG1-CG1 4.09Å
615	A	95.5	Very high	95.6	Very high	6 Å²	6	34.6 Å²	34.6	5%	0.05	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	133.5	175.6	0	0	0	0	0	110.7	L604 L605 N624 Q625 L663	L604-A615 CarbonylContact O-C 3.29Å; L604-A615 WeakPolarHBondContact O-CA 3.42Å; L605-A615 HydrophobicContact CD2-CB 3.61Å; A615-N624 WeakPolarHBondContact O-CB 3.39Å; A615-N624 PolarHBondContact O-N 3.41Å; A615-Q625 HydrophobicContact CB-CB 4.21Å; A615-Q625 PolarHBondContact N-O 3.17Å; A615-Q625 PolarHBondContact O-N 2.91Å; A615-L663 HydrophobicContact CB-CD1 4.49Å
616	W	96.3	Very high	95.3	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.008	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.6	-175.3	-51.1	77.5	0	0	0	109.2	L563 F565 I579 F580 D603 L604 T606 I614 R618 V623	L563-W616 HydrophobicContact CD2-CD2 4.03Å; L563-W616 VanDerWaalsContact CD2-CE2 3.43Å; L563-W616 HydrophobicContact CD2-CE3 4.36Å; L563-W616 HydrophobicContact CD2-CH2 3.69Å; L563-W616 HydrophobicContact CD2-CZ2 3.26Å; L563-W616 HydrophobicContact CD2-CZ3 4.21Å; F565-W616 HydrophobicContact CE1-CB 4.32Å; F565-W616 HydrophobicContact CE2-CD2 4.39Å; F565-W616 HydrophobicContact CE2-CE3 4.01Å; F565-W616 HydrophobicContact CE2-CZ3 4.47Å; F565-W616 HydrophobicContact CZ-CB 3.87Å; F565-W616 AromaticContact CZ-CD2 3.92Å; F565-W616 HydrophobicContact CZ-CD2 3.92Å; F565-W616 AromaticContact CZ-CE3 3.88Å; F565-W616 HydrophobicContact CZ-CE3 3.88Å; F565-W616 AromaticContact CZ-CG 3.93Å; F565-W616 HydrophobicContact CZ-CG 3.93Å; I579-W616 WeakPolarHBondContact O-CZ3 3.24Å; F580-W616 AromaticContact CD1-CH2 3.78Å; F580-W616 HydrophobicContact CD1-CH2 3.78Å; F580-W616 HydrophobicContact CD1-CZ2 4.1Å; F580-W616 HydrophobicContact CD2-CH2 4.04Å; F580-W616 AromaticContact CE1-CH2 3.62Å; F580-W616 HydrophobicContact CE1-CH2 3.62Å; F580-W616 AromaticContact CE1-CZ2 3.62Å; F580-W616 HydrophobicContact CE1-CZ2 3.62Å; F580-W616 AromaticContact CE2-CH2 3.9Å; F580-W616 HydrophobicContact CE2-CH2 3.9Å; F580-W616 AromaticContact CG-CH2 3.99Å; F580-W616 HydrophobicContact CG-CH2 3.99Å; F580-W616 AromaticContact CZ-CH2 3.68Å; F580-W616 HydrophobicContact CZ-CH2 3.68Å; F580-W616 AromaticContact CZ-CZ2 3.86Å; F580-W616 HydrophobicContact CZ-CZ2 3.86Å; D603-W616 WeakPolarHBondContact CA-O 3.36Å; L604-W616 HydrophobicContact CB-CB 4.2Å; L604-W616 HydrophobicContact CD2-CB 4.35Å; L604-W616 HydrophobicContact CD2-CG 4.14Å; L604-W616 PolarHBondContact N-O 3.34Å; L604-W616 PolarHBondContact O-N 3.2Å; T606-W616 PolarHBondContact OG1-NE1 2.97Å; I614-W616 HydrophobicContact CB-CZ2 4.38Å; I614-W616 HydrophobicContact CD1-CZ2 4.4Å; I614-W616 HydrophobicContact CG2-CD2 4.42Å; I614-W616 HydrophobicContact CG2-CZ2 3.76Å; I614-W616 PolarHBondContact O-NE1 3.08Å; W616-R618 PolarHBondContact O-N 2.9Å; W616-V623 HydrophobicContact CD2-CG2 4.33Å; W616-V623 HydrophobicContact CE3-CG2 4Å; W616-V623 HydrophobicContact CH2-CG2 3.52Å; W616-V623 HydrophobicContact CZ2-CG2 3.89Å; W616-V623 HydrophobicContact CZ3-CG2 3.59Å
617	K	94.4	Very high	95.1	Very high	112 Å²	112	37.4 Å²	37.4	49%	0.487	22%	0.221	S	C	.	.			trans	-69.7	133.5	-170.4	-174.3	170.6	-170.3	170.8	0	111.7	D603 G619 T620 N624	D603-K617 VanDerWaalsContact OD1-CA 3.32Å; D603-K617 WeakPolarHBondContact OD1-CA 3.35Å; K617-G619 PolarHBondContact O-N 3.05Å; K617-T620 HydrophobicContact CB-CG2 4.18Å; K617-T620 HydrophobicContact CG-CG2 4.4Å; K617-T620 WeakPolarHBondContact O-CA 3.42Å; K617-T620 WeakPolarHBondContact O-CB 3.29Å; K617-T620 PolarHBondContact O-N 2.98Å; K617-T620 PolarHBondContact O-OG1 3.35Å; K617-N624 HydrophobicContact CB-CB 4.02Å
618	R	94.9	Very high	94.9	Very high	114 Å²	114	44.3 Å²	44.3	43%	0.43	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	130.4	176.7	-176	176.9	174.8	-177.4	2.2	111.7	H548 L550 N601 D603 W616 T620	H548-R618 PolarHBondContact CE1-NE 2.88Å; H548-R618 VanDerWaalsContact CE1-NE 3.35Å; L550-R618 VanDerWaalsContact CD1-NH1 3.34Å; L550-R618 PolarHBondContact O-NH2 3.42Å; N601-R618 WeakPolarHBondContact O-CD 3.48Å; D603-R618 PolarHBondContact OD1-N 2.87Å; W616-R618 PolarHBondContact O-N 2.9Å; R618-T620 PolarHBondContact O-N 2.84Å
619	G	93.1	Very high	94.6	Very high	87 Å²	87	47 Å²	47	90%	0.897	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	1.1	-178.7	0	0	0	0	0	115	K617	K617-G619 PolarHBondContact O-N 3.05Å
620	T	94.3	Very high	94.5	Very high	47 Å²	47	46.7 Å²	46.7	29%	0.288	28%	0.277	S	S	.	.			trans	-116.2	166.5	172.7	81.2	0	0	0	0	110.9	K617 R618 T622	K617-T620 HydrophobicContact CB-CG2 4.18Å; K617-T620 HydrophobicContact CG-CG2 4.4Å; K617-T620 WeakPolarHBondContact O-CA 3.42Å; K617-T620 WeakPolarHBondContact O-CB 3.29Å; K617-T620 PolarHBondContact O-N 2.98Å; K617-T620 PolarHBondContact O-OG1 3.35Å; R618-T620 PolarHBondContact O-N 2.84Å; T620-T622 WeakPolarHBondContact CB-OG1 3.37Å; T620-T622 PolarHBondContact OG1-N 3.4Å; T620-T622 PolarHBondContact OG1-OG1 3.27Å; T620-T622 VanDerWaalsContact OG1-OG1 3.13Å
621	N	95.3	Very high	94.5	Very high	35 Å²	35	44.3 Å²	44.3	19%	0.187	26%	0.256	C	S	.	.	S	Bend	trans	-115.5	26.5	169.3	62.5	-55.9	0	0	0	111.4	F565 K576 M577 I579	F565-N621 HydrophobicContact CB-CB 4.35Å; F565-N621 HydrophobicContact CD2-CB 3.54Å; F565-N621 HydrophobicContact CE2-CB 3.97Å; F565-N621 HydrophobicContact CG-CB 3.95Å; K576-N621 HydrophobicContact CB-CB 4.4Å; M577-N621 PolarHBondContact O-ND2 3.47Å; I579-N621 WeakPolarHBondContact CD1-ND2 3.33Å; I579-N621 PolarHBondContact N-O 2.72Å
622	T	94.8	Very high	94.4	Very high	51 Å²	51	49.6 Å²	49.6	31%	0.313	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-116.3	148.6	-174.9	50.9	0	0	0	0	111.2	I579 T620	I579-T622 HydrophobicContact CB-CG2 4.05Å; I579-T622 HydrophobicContact CD1-CG2 4.08Å; I579-T622 HydrophobicContact CG2-CG2 4.32Å; T620-T622 WeakPolarHBondContact CB-OG1 3.37Å; T620-T622 PolarHBondContact OG1-N 3.4Å; T620-T622 PolarHBondContact OG1-OG1 3.27Å; T620-T622 VanDerWaalsContact OG1-OG1 3.13Å
623	V	94.8	Very high	94.2	Very high	7 Å²	7	49 Å²	49	4%	0.042	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	134.4	174.6	-180	0	0	0	0	110.6	I579 N582 I587 I614 W616	I579-V623 PolarHBondContact O-N 3.03Å; N582-V623 HydrophobicContact CB-CG1 4.4Å; I587-V623 HydrophobicContact CD1-CB 4.05Å; I587-V623 HydrophobicContact CD1-CG1 3.72Å; I587-V623 HydrophobicContact CD1-CG2 4.08Å; I614-V623 HydrophobicContact CG2-CB 4.23Å; I614-V623 HydrophobicContact CG2-CG1 3.62Å; I614-V623 HydrophobicContact CG2-CG2 3.63Å; W616-V623 HydrophobicContact CD2-CG2 4.33Å; W616-V623 HydrophobicContact CE3-CG2 4Å; W616-V623 HydrophobicContact CH2-CG2 3.52Å; W616-V623 HydrophobicContact CZ2-CG2 3.89Å; W616-V623 HydrophobicContact CZ3-CG2 3.59Å
624	N	91.5	Very high	94.2	Very high	70 Å²	70	49.3 Å²	49.3	37%	0.374	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-43.5	175.2	-171	57.7	0	0	0	111.2	A615 K617	A615-N624 WeakPolarHBondContact O-CB 3.39Å; A615-N624 PolarHBondContact O-N 3.41Å; K617-N624 HydrophobicContact CB-CB 4.02Å
625	Q	91.4	Very high	94.3	Very high	73 Å²	73	49.3 Å²	49.3	34%	0.341	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	152.1	-178.7	177	176.3	-13.3	0	0	109.4	A615	A615-Q625 HydrophobicContact CB-CB 4.21Å; A615-Q625 PolarHBondContact N-O 3.17Å; A615-Q625 PolarHBondContact O-N 2.91Å
626	I	92.4	Very high	94.4	Very high	37 Å²	37	51.6 Å²	51.6	19%	0.19	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	130.5	174.3	-176.5	169.3	0	0	0	109.9	I587 N612 I613 I614 Q628	I587-I626 HydrophobicContact CD1-CB 4.47Å; I587-I626 HydrophobicContact CD1-CD1 4.31Å; I587-I626 HydrophobicContact CD1-CG2 4.1Å; I587-I626 HydrophobicContact CG2-CD1 3.86Å; N612-I626 HydrophobicContact CB-CD1 4.2Å; N612-I626 HydrophobicContact CB-CG1 4.28Å; I613-I626 WeakPolarHBondContact O-CA 3.35Å; I614-I626 HydrophobicContact CD1-CD1 4.39Å; I614-I626 HydrophobicContact CG1-CD1 4Å; I614-I626 HydrophobicContact CG1-CG1 4.09Å; I626-Q628 HydrophobicContact CD1-CG 3.79Å; I626-Q628 HydrophobicContact CG1-CG 3.77Å; I626-Q628 HydrophobicContact CG2-CG 4.29Å
627	C	93.3	Very high	94.4	Very high	23 Å²	23	51.7 Å²	51.7	16%	0.155	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	105	167.2	-59.4	0	0	0	0	106.6	N612 I613 V630	N612-C627 VanDerWaalsContact CA-O 3.31Å; N612-C627 WeakPolarHBondContact CA-O 3.19Å; I613-C627 HydrophobicContact CB-CB 4.31Å; I613-C627 PolarHBondContact N-O 3.08Å; I613-C627 PolarHBondContact O-N 2.91Å; C627-V630 HydrophobicContact CB-CG2 3.82Å
628	Q	92.6	Very high	94.6	Very high	146 Å²	146	47 Å²	47	68%	0.682	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	142.1	-174.8	-65.4	-174.7	-56.7	0	0	111.8	N612 I626 V630	N612-Q628 VanDerWaalsContact OD1-CA 3.25Å; N612-Q628 WeakPolarHBondContact OD1-CA 3.15Å; I626-Q628 HydrophobicContact CD1-CG 3.79Å; I626-Q628 HydrophobicContact CG1-CG 3.77Å; I626-Q628 HydrophobicContact CG2-CG 4.29Å; Q628-V630 VanDerWaalsContact C-N 3.32Å; Q628-V630 PolarHBondContact O-N 2.89Å
629	G	92	Very high	94.6	Very high	56 Å²	56	42 Å²	42	58%	0.577	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	35.9	171.5	0	0	0	0	0	115	N612 H631	N612-G629 PolarHBondContact OD1-N 2.69Å; G629-H631 PolarHBondContact O-N 3.39Å
630	V	95.6	Very high	94.7	Very high	29 Å²	29	40 Å²	40	18%	0.176	23%	0.226	C	C	.	.	S	Bend	trans	-62.2	-33.6	174.5	-179.6	0	0	0	0	111	G611 I613 C627 Q628 I635 V657 F659	G611-V630 WeakPolarHBondContact O-CB 3.47Å; G611-V630 PolarHBondContact O-N 3.12Å; I613-V630 HydrophobicContact CD1-CG1 4.33Å; I613-V630 HydrophobicContact CD1-CG2 4.23Å; I613-V630 HydrophobicContact CG1-CG2 4.14Å; C627-V630 HydrophobicContact CB-CG2 3.82Å; Q628-V630 VanDerWaalsContact C-N 3.32Å; Q628-V630 PolarHBondContact O-N 2.89Å; V630-I635 HydrophobicContact CB-CD1 4.45Å; V630-V657 HydrophobicContact CG1-CB 4.05Å; V630-V657 HydrophobicContact CG1-CG1 3.99Å; V630-V657 HydrophobicContact CG1-CG2 4.28Å; V630-F659 HydrophobicContact CB-CZ 4.42Å; V630-F659 HydrophobicContact CG1-CE2 3.88Å; V630-F659 HydrophobicContact CG1-CZ 3.57Å; V630-F659 HydrophobicContact CG2-CZ 3.9Å
631	H	96.6	Very high	94.6	Very high	7 Å²	7	38.7 Å²	38.7	3%	0.032	22%	0.218	C	C	.	.	S	Bend	trans	-130	155	179.2	-73.2	-77.9	0	0	0	111	G611 G629 G633 I635 S648 G650 D653 R655	G611-H631 PolarHBondContact O-N 2.71Å; G629-H631 PolarHBondContact O-N 3.39Å; H631-G633 WeakPolarHBondContact CB-O 3.37Å; H631-G633 PolarHBondContact O-N 2.77Å; H631-G633 VanDerWaalsContact O-N 3.09Å; H631-I635 HydrophobicContact CB-CG1 4.36Å; H631-S648 PolarHBondContact NE2-OG 3.01Å; H631-G650 VanDerWaalsContact CE1-CA 3.43Å; H631-G650 WeakPolarHBondContact CE1-CA 3.36Å; H631-G650 PolarHBondContact CE1-N 3Å; H631-G650 VanDerWaalsContact CE1-N 3.33Å; H631-G650 VanDerWaalsContact ND1-CA 3.28Å; H631-G650 WeakPolarHBondContact ND1-CA 3.14Å; H631-D653 WeakPolarHBondContact CA-OD2 3.23Å; H631-D653 VanDerWaalsContact CB-OD2 3.27Å; H631-D653 WeakPolarHBondContact CB-OD2 3.4Å; H631-D653 IonicContact CG-OD2 3.24Å; H631-D653 IonicContact ND1-OD1 2.85Å; H631-D653 PolarHBondContact ND1-OD1 3.02Å; H631-D653 VanDerWaalsContact ND1-OD1 3.14Å; H631-D653 IonicContact ND1-OD2 3.65Å; H631-D653 PolarHBondContact ND1-OD2 3.34Å; H631-R655 PolarHBondContact CE1-O 2.76Å; H631-R655 VanDerWaalsContact CE1-O 3.32Å
632	E	93.7	Very high	94.2	Very high	111 Å²	111	43.1 Å²	43.1	52%	0.519	24%	0.242	S	C	.	.	S	Bend	trans	-74.1	4.5	178	-61.3	-176.7	-153.7	0	0	114.2	K652 D653 R655	E632-K652 HydrophobicContact CB-CD 4.27Å; E632-K652 VanDerWaalsContact O-CD 3.28Å; E632-K652 WeakPolarHBondContact O-CD 3.15Å; E632-K652 IonicContact OE2-NZ 2.73Å; E632-K652 PolarHBondContact OE2-NZ 3.12Å; E632-D653 HydrophobicContact CB-CB 4.22Å; E632-D653 HydrophobicContact CG-CB 4.26Å; E632-D653 PolarHBondContact N-OD2 3.5Å; E632-R655 IonicContact OE1-CZ 2.75Å; E632-R655 IonicContact OE1-NH1 3.81Å; E632-R655 PolarHBondContact OE1-NH1 2.74Å
633	G	93.1	Very high	93.8	Very high	11 Å²	11	46 Å²	46	11%	0.113	26%	0.255	C	S	.	.	S	Bend	trans	-176.3	-166.5	-178.2	0	0	0	0	0	110.3	G611 H631 I635	G611-G633 WeakPolarHBondContact CA-O 3.02Å; G611-G633 PolarHBondContact N-O 3.34Å; H631-G633 WeakPolarHBondContact CB-O 3.37Å; H631-G633 PolarHBondContact O-N 2.77Å; H631-G633 VanDerWaalsContact O-N 3.09Å; G633-I635 PolarHBondContact O-N 3.26Å
634	G	96.4	Very high	93.5	Very high	11 Å²	11	46.3 Å²	46.3	11%	0.113	26%	0.259	C	S	.	.			trans	-56.2	134.8	-169.7	0	0	0	0	0	115.6	D608 S609 G651	D608-G634 VanDerWaalsContact O-CA 3.26Å; D608-G634 WeakPolarHBondContact O-CA 3.28Å; S609-G634 PolarHBondContact O-N 3.22Å; G634-G651 WeakPolarHBondContact O-CA 3.45Å; G634-G651 PolarHBondContact O-N 2.71Å
635	I	98.2	Very high	93.6	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	114.8	172.4	-47.2	-171.1	0	0	0	108.3	L594 C595 D608 N612 I613 V630 H631 G633 S637 L638	L594-I635 WeakPolarHBondContact CB-O 3.46Å; C595-I635 PolarHBondContact SG-O 2.9Å; D608-I635 PolarHBondContact O-N 2.81Å; N612-I635 WeakPolarHBondContact O-CD1 3.25Å; I613-I635 HydrophobicContact CD1-CD1 4.39Å; I613-I635 HydrophobicContact CG1-CD1 3.5Å; I613-I635 VanDerWaalsContact CG1-CD1 3.5Å; V630-I635 HydrophobicContact CB-CD1 4.45Å; H631-I635 HydrophobicContact CB-CG1 4.36Å; G633-I635 PolarHBondContact O-N 3.26Å; I635-S637 WeakPolarHBondContact CG2-O 3.38Å; I635-L638 HydrophobicContact CG2-CD2 4.01Å
636	F	97.2	Very high	93.8	Very high	54 Å²	54	43.5 Å²	43.5	24%	0.237	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-18.5	-177.7	-72	-56.7	0	0	0	114.2	L594 C595 G649 G651 V679 R680	L594-F636 HydrophobicContact CB-CD1 4.33Å; L594-F636 HydrophobicContact CD1-CD1 3.9Å; L594-F636 HydrophobicContact CD1-CE1 3.83Å; L594-F636 HydrophobicContact CD2-CD1 4.31Å; L594-F636 HydrophobicContact CD2-CE1 4.02Å; L594-F636 HydrophobicContact CG-CD1 4.42Å; L594-F636 HydrophobicContact CG-CE1 4.45Å; C595-F636 WeakPolarHBondContact CB-O 3.29Å; F636-G649 PolarHBondContact N-O 2.87Å; F636-G651 VanDerWaalsContact CD2-CA 3.47Å; F636-V679 WeakPolarHBondContact CD2-O 3.5Å; F636-R680 VanDerWaalsContact CD2-NH1 3.35Å; F636-R680 VanDerWaalsContact CE1-NH1 3.31Å
637	S	97.4	Very high	94	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.028	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	143	-179.6	-163.6	0	0	0	0	111.7	I635 G649 I682	I635-S637 WeakPolarHBondContact CG2-O 3.38Å; S637-G649 PolarHBondContact O-N 2.8Å; S637-I682 PolarHBondContact OG-N 3.36Å
638	L	97.3	Very high	94.2	Very high	13 Å²	13	41 Å²	41	7%	0.068	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.8	166	-70.7	-177.9	0	0	0	107.1	T597 L605 I613 I635 L646	T597-L638 HydrophobicContact CG2-CB 3.66Å; T597-L638 HydrophobicContact CG2-CD1 4.17Å; L605-L638 HydrophobicContact CB-CD1 4.09Å; I613-L638 HydrophobicContact CD1-CD2 3.99Å; I613-L638 HydrophobicContact CG1-CD2 4.17Å; I613-L638 HydrophobicContact CG2-CD1 4.35Å; I635-L638 HydrophobicContact CG2-CD2 4.01Å; L638-L646 HydrophobicContact CB-CD1 4.04Å; L638-L646 HydrophobicContact CD2-CD1 4.22Å; L638-L646 HydrophobicContact CD2-CD2 4.37Å
639	C	96	Very high	94.4	Very high	11 Å²	11	34 Å²	34	7%	0.074	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	110.5	178	-178	0	0	0	0	109.2	I647 I682	C639-I647 PolarHBondContact N-O 3.06Å; C639-I647 PolarHBondContact O-N 3.18Å; C639-I682 HydrophobicContact CB-CB 3.84Å; C639-I682 HydrophobicContact CB-CG2 3.68Å
640	L	94.5	Very high	94.4	Very high	44 Å²	44	31.4 Å²	31.4	23%	0.23	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	129.7	165.6	-75.7	162.2	0	0	0	108.9	T597 F598 L605 L646	T597-L640 HydrophobicContact CG2-CD1 3.94Å; T597-L640 HydrophobicContact CG2-CG 4.29Å; F598-L640 VanDerWaalsContact C-CD1 3.46Å; F598-L640 WeakPolarHBondContact O-CD1 3.39Å; L605-L640 HydrophobicContact CD1-CD1 4.26Å; L605-L640 HydrophobicContact CD1-CD2 4.4Å; L640-L646 HydrophobicContact CD2-CB 3.85Å; L640-L646 HydrophobicContact CD2-CD1 4Å; L640-L646 HydrophobicContact CG-CD1 3.96Å
641	T	92.1	Very high	94	Very high	19 Å²	19	30 Å²	30	12%	0.117	16%	0.161	C	C	.	.			trans	-86	161.7	177.8	62	0	0	0	0	111.6	N643 G644 H645 I647	T641-N643 PolarHBondContact O-N 3.4Å; T641-G644 PolarHBondContact O-N 3.1Å; T641-H645 PolarHBondContact N-O 2.78Å; T641-H645 WeakPolarHBondContact OG1-CB 3.47Å; T641-H645 PolarHBondContact OG1-N 3.17Å; T641-H645 PolarHBondContact OG1-O 2.74Å; T641-I647 HydrophobicContact CG2-CD1 3.94Å; T641-I647 HydrophobicContact CG2-CG1 4.34Å
642	N	87.9	Confident	93.7	Very high	129 Å²	129	36.3 Å²	36.3	69%	0.69	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-10.4	172.3	-62.1	-43.9	0	0	0	114.3	Q684	N642-Q684 PolarHBondContact ND2-OE1 2.79Å
643	N	86.1	Confident	93.7	Very high	111 Å²	111	31.5 Å²	31.5	59%	0.594	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.7	17.4	176.1	-63.4	-10.8	0	0	0	112.1	T641 H645	T641-N643 PolarHBondContact O-N 3.4Å; N643-H645 PolarHBondContact O-N 2.98Å; N643-H645 PolarHBondContact O-ND1 2.83Å
644	G	88.5	Confident	93.9	Very high	13 Å²	13	33.3 Å²	33.3	13%	0.134	17%	0.17	C	C	.	.	S	Bend	trans	71.6	-10.4	-178.4	0	0	0	0	0	115.8	T641 A661	T641-G644 PolarHBondContact O-N 3.1Å; G644-A661 WeakPolarHBondContact O-CA 3.27Å
645	H	93.2	Very high	93.9	Very high	84 Å²	84	36.3 Å²	36.3	39%	0.389	18%	0.178	S	C	.	.			trans	-71.8	143	180	-68.3	58.6	0	0	0	110.9	T641 N643 F659	T641-H645 PolarHBondContact N-O 2.78Å; T641-H645 WeakPolarHBondContact OG1-CB 3.47Å; T641-H645 PolarHBondContact OG1-N 3.17Å; T641-H645 PolarHBondContact OG1-O 2.74Å; N643-H645 PolarHBondContact O-N 2.98Å; N643-H645 PolarHBondContact O-ND1 2.83Å; H645-F659 WeakPolarHBondContact CB-O 3.33Å
646	L	96.2	Very high	93.8	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	140	-179.4	173.8	70.5	0	0	0	111.4	L605 I613 L638 L640 F659 L663	L605-L646 HydrophobicContact CD1-CD2 4.05Å; I613-L646 HydrophobicContact CD1-CD2 4.08Å; I613-L646 HydrophobicContact CG2-CD2 4.41Å; L638-L646 HydrophobicContact CB-CD1 4.04Å; L638-L646 HydrophobicContact CD2-CD1 4.22Å; L638-L646 HydrophobicContact CD2-CD2 4.37Å; L640-L646 HydrophobicContact CD2-CB 3.85Å; L640-L646 HydrophobicContact CD2-CD1 4Å; L640-L646 HydrophobicContact CG-CD1 3.96Å; L646-F659 HydrophobicContact CB-CB 4.06Å; L646-F659 PolarHBondContact N-O 3.04Å; L646-F659 PolarHBondContact O-N 3.03Å; L646-L663 HydrophobicContact CB-CD2 4.05Å; L646-L663 HydrophobicContact CD2-CD2 3.69Å
647	I	96.3	Very high	93.7	Very high	7 Å²	7	34.5 Å²	34.5	4%	0.036	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124	172.9	-51.2	175.7	0	0	0	108.7	C639 T641 L656 V657 F658 I682 L690	C639-I647 PolarHBondContact N-O 3.06Å; C639-I647 PolarHBondContact O-N 3.18Å; T641-I647 HydrophobicContact CG2-CD1 3.94Å; T641-I647 HydrophobicContact CG2-CG1 4.34Å; I647-L656 HydrophobicContact CG2-CB 4.44Å; I647-L656 HydrophobicContact CG2-CD2 4.49Å; I647-V657 WeakPolarHBondContact CA-O 3.33Å; I647-F658 HydrophobicContact CD1-CD1 3.97Å; I647-F658 HydrophobicContact CD1-CE1 3.71Å; I647-F658 HydrophobicContact CG1-CD1 3.86Å; I647-F658 HydrophobicContact CG1-CE1 4.07Å; I647-F658 HydrophobicContact CG2-CD1 4.43Å; I647-F658 HydrophobicContact CG2-CE1 4.3Å; I647-F658 HydrophobicContact CG2-CZ 4.43Å; I647-I682 HydrophobicContact CG2-CD1 4.14Å; I647-L690 HydrophobicContact CD1-CD1 3.61Å; I647-L690 HydrophobicContact CD1-CD2 3.64Å; I647-L690 HydrophobicContact CD1-CG 4.28Å
648	S	97.6	Very high	93.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	136.1	176.3	63.6	0	0	0	0	112.2	H631 L656 V657	H631-S648 PolarHBondContact NE2-OG 3.01Å; S648-L656 WeakPolarHBondContact O-CA 3.5Å; S648-V657 PolarHBondContact N-O 3.08Å; S648-V657 PolarHBondContact O-N 2.83Å
649	G	97.1	Very high	93.6	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	109.6	-179.5	0	0	0	0	0	112.2	F636 S637	F636-G649 PolarHBondContact N-O 2.87Å; S637-G649 PolarHBondContact O-N 2.8Å
650	G	91.3	Very high	93.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	134.2	-178.7	0	0	0	0	0	113.8	H631 D653 R655 V679	H631-G650 VanDerWaalsContact CE1-CA 3.43Å; H631-G650 WeakPolarHBondContact CE1-CA 3.36Å; H631-G650 PolarHBondContact CE1-N 3Å; H631-G650 VanDerWaalsContact CE1-N 3.33Å; H631-G650 VanDerWaalsContact ND1-CA 3.28Å; H631-G650 WeakPolarHBondContact ND1-CA 3.14Å; G650-D653 WeakPolarHBondContact CA-OD1 3.22Å; G650-R655 PolarHBondContact N-O 3.11Å; G650-V679 PolarHBondContact O-N 3.39Å
651	G	86.5	Confident	93.1	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.01	20%	0.196	C	C	.	.	S	Bend	trans	-73.4	-78.3	172.9	0	0	0	0	0	112.2	G634 F636 D653 R654 S678	G634-G651 WeakPolarHBondContact O-CA 3.45Å; G634-G651 PolarHBondContact O-N 2.71Å; F636-G651 VanDerWaalsContact CD2-CA 3.47Å; G651-D653 PolarHBondContact O-N 3.03Å; G651-R654 PolarHBondContact O-N 2.58Å; G651-S678 WeakPolarHBondContact O-CB 3.49Å; G651-S678 PolarHBondContact O-OG 2.9Å
652	K	91.3	Very high	92.9	Very high	138 Å²	138	39.8 Å²	39.8	60%	0.6	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-39	-169.2	-176.6	-162.4	163.3	-126.3	0	113.4	E632	E632-K652 HydrophobicContact CB-CD 4.27Å; E632-K652 VanDerWaalsContact O-CD 3.28Å; E632-K652 WeakPolarHBondContact O-CD 3.15Å; E632-K652 IonicContact OE2-NZ 2.73Å; E632-K652 PolarHBondContact OE2-NZ 3.12Å
653	D	94.2	Very high	92.9	Very high	10 Å²	10	35 Å²	35	5%	0.053	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-6.6	-177.7	56.7	19.5	0	0	0	113.8	H631 E632 G650 G651 R655 E671	H631-D653 WeakPolarHBondContact CA-OD2 3.23Å; H631-D653 VanDerWaalsContact CB-OD2 3.27Å; H631-D653 WeakPolarHBondContact CB-OD2 3.4Å; H631-D653 IonicContact CG-OD2 3.24Å; H631-D653 IonicContact ND1-OD1 2.85Å; H631-D653 PolarHBondContact ND1-OD1 3.02Å; H631-D653 VanDerWaalsContact ND1-OD1 3.14Å; H631-D653 IonicContact ND1-OD2 3.65Å; H631-D653 PolarHBondContact ND1-OD2 3.34Å; E632-D653 HydrophobicContact CB-CB 4.22Å; E632-D653 HydrophobicContact CG-CB 4.26Å; E632-D653 PolarHBondContact N-OD2 3.5Å; G650-D653 WeakPolarHBondContact CA-OD1 3.22Å; G651-D653 PolarHBondContact O-N 3.03Å; D653-R655 HydrophobicContact CB-CG 4.29Å; D653-R655 PolarHBondContact O-N 2.85Å; D653-R655 PolarHBondContact OD1-N 2.73Å; D653-R655 VanDerWaalsContact OD1-N 3.11Å; D653-E671 WeakPolarHBondContact O-CG 3.42Å
654	R	95.9	Very high	93.1	Very high	50 Å²	50	33.6 Å²	33.6	19%	0.189	18%	0.181	C	C	.	.			trans	59.1	19.3	-178.2	-42.9	173	-69.8	-131	1.9	114.3	G651 E671 L672 E674	G651-R654 PolarHBondContact O-N 2.58Å; R654-E671 HydrophobicContact CB-CG 4.38Å; R654-E671 IonicContact CZ-OE1 3.8Å; R654-E671 IonicContact NE-OE1 3.83Å; R654-E671 IonicContact NH2-OE1 3.54Å; R654-E671 PolarHBondContact NH2-OE1 2.86Å; R654-L672 HydrophobicContact CB-CB 4.14Å; R654-L672 WeakPolarHBondContact CD-O 3.49Å; R654-L672 PolarHBondContact NE-O 2.86Å; R654-L672 VanDerWaalsContact NE-O 3.1Å; R654-L672 PolarHBondContact O-N 2.96Å; R654-E674 IonicContact CZ-OE2 3.77Å; R654-E674 VanDerWaalsContact NH1-CD 3.33Å; R654-E674 IonicContact NH1-OE2 2.78Å; R654-E674 PolarHBondContact NH1-OE2 3.48Å
655	R	96.2	Very high	93.2	Very high	74 Å²	74	37 Å²	37	28%	0.279	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	151.7	-171.5	-76.3	167.7	-171.2	146.9	10.2	113.7	H631 E632 G650 D653 V657 T669 E670 E671	H631-R655 PolarHBondContact CE1-O 2.76Å; H631-R655 VanDerWaalsContact CE1-O 3.32Å; E632-R655 IonicContact OE1-CZ 2.75Å; E632-R655 IonicContact OE1-NH1 3.81Å; E632-R655 PolarHBondContact OE1-NH1 2.74Å; G650-R655 PolarHBondContact N-O 3.11Å; D653-R655 HydrophobicContact CB-CG 4.29Å; D653-R655 PolarHBondContact O-N 2.85Å; D653-R655 PolarHBondContact OD1-N 2.73Å; D653-R655 VanDerWaalsContact OD1-N 3.11Å; R655-V657 HydrophobicContact CB-CG2 4.47Å; R655-T669 HydrophobicContact CB-CG2 3.98Å; R655-T669 HydrophobicContact CG-CG2 3.89Å; R655-E670 CarbonylContact C-O 3.52Å; R655-E670 WeakPolarHBondContact CA-O 3.43Å; R655-E671 HydrophobicContact CG-CB 3.95Å; R655-E671 HydrophobicContact CG-CG 3.92Å; R655-E671 IonicContact CZ-OE2 2.64Å; R655-E671 IonicContact NE-OE2 2.71Å; R655-E671 PolarHBondContact NE-OE2 3.18Å; R655-E671 IonicContact NH2-OE2 2.69Å; R655-E671 PolarHBondContact NH2-OE2 3.46Å
656	L	96.4	Very high	93.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	117.5	161.8	-60.4	172.6	0	0	0	107.7	I647 S648 F658 T669 E670 V679 I682 I692 M706	I647-L656 HydrophobicContact CG2-CB 4.44Å; I647-L656 HydrophobicContact CG2-CD2 4.49Å; S648-L656 WeakPolarHBondContact O-CA 3.5Å; L656-F658 HydrophobicContact CB-CE2 3.84Å; L656-F658 HydrophobicContact CB-CZ 4.34Å; L656-T669 VanDerWaalsContact O-CA 3.27Å; L656-T669 WeakPolarHBondContact O-CA 3.42Å; L656-E670 HydrophobicContact CB-CB 4.47Å; L656-E670 PolarHBondContact N-O 3Å; L656-E670 PolarHBondContact O-N 2.85Å; L656-V679 HydrophobicContact CD2-CG1 4.5Å; L656-V679 HydrophobicContact CD2-CG2 3.93Å; L656-I682 HydrophobicContact CD2-CD1 3.55Å; L656-I682 HydrophobicContact CD2-CG1 4.15Å; L656-I692 HydrophobicContact CD1-CD1 3.78Å; L656-M706 HydrophobicContact CD1-CE 3.5Å; L656-M706 VanDerWaalsContact CD1-CE 3.5Å
657	V	96.7	Very high	92.8	Very high	15 Å²	15	39.8 Å²	39.8	9%	0.091	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.3	176.9	-178.1	0	0	0	0	109.4	V630 I647 S648 R655 F659 T669	V630-V657 HydrophobicContact CG1-CB 4.05Å; V630-V657 HydrophobicContact CG1-CG1 3.99Å; V630-V657 HydrophobicContact CG1-CG2 4.28Å; I647-V657 WeakPolarHBondContact CA-O 3.33Å; S648-V657 PolarHBondContact N-O 3.08Å; S648-V657 PolarHBondContact O-N 2.83Å; R655-V657 HydrophobicContact CB-CG2 4.47Å; V657-F659 HydrophobicContact CB-CE2 4.21Å; V657-F659 HydrophobicContact CG1-CD2 4.44Å; V657-F659 HydrophobicContact CG1-CE2 3.74Å; V657-F659 HydrophobicContact CG1-CZ 4.16Å; V657-T669 HydrophobicContact CG2-CG2 4Å
658	F	95.7	Very high	92.7	Very high	24 Å²	24	44.2 Å²	44.2	11%	0.105	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.1	-169.7	-65.4	-106.7	0	0	0	111.2	I647 L656 T666 R668 E670 L690 M706	I647-F658 HydrophobicContact CD1-CD1 3.97Å; I647-F658 HydrophobicContact CD1-CE1 3.71Å; I647-F658 HydrophobicContact CG1-CD1 3.86Å; I647-F658 HydrophobicContact CG1-CE1 4.07Å; I647-F658 HydrophobicContact CG2-CD1 4.43Å; I647-F658 HydrophobicContact CG2-CE1 4.3Å; I647-F658 HydrophobicContact CG2-CZ 4.43Å; L656-F658 HydrophobicContact CB-CE2 3.84Å; L656-F658 HydrophobicContact CB-CZ 4.34Å; F658-T666 WeakPolarHBondContact CB-OG1 3.05Å; F658-T666 WeakPolarHBondContact O-CB 3.44Å; F658-T666 WeakPolarHBondContact O-CG2 3.49Å; F658-T666 PolarHBondContact O-N 2.81Å; F658-T666 PolarHBondContact O-OG1 2.75Å; F658-R668 HydrophobicContact CB-CB 4.16Å; F658-R668 HydrophobicContact CD2-CB 4.18Å; F658-R668 HydrophobicContact CD2-CG 3.86Å; F658-R668 HydrophobicContact CE2-CG 4.25Å; F658-R668 HydrophobicContact CG-CB 4.33Å; F658-R668 HydrophobicContact CG-CG 4.28Å; F658-R668 PolarHBondContact N-O 3.03Å; F658-E670 HydrophobicContact CE2-CG 3.81Å; F658-E670 HydrophobicContact CZ-CG 4.27Å; F658-L690 HydrophobicContact CE1-CD1 4.14Å; F658-L690 HydrophobicContact CZ-CD1 4.25Å; F658-M706 HydrophobicContact CZ-CE 4.11Å; F658-M706 HydrophobicContact CZ-CG 4.41Å; F658-M706 HydrophobicContact CZ-SD 4.04Å
659	F	95.6	Very high	92.5	Very high	3 Å²	3	47.2 Å²	47.2	1%	0.013	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	149.3	-178.1	-65.7	-102.8	0	0	0	111	I613 V630 H645 L646 V657 L663 N664 P665	I613-F659 HydrophobicContact CD1-CD2 4.36Å; I613-F659 HydrophobicContact CD1-CE1 4.29Å; I613-F659 HydrophobicContact CD1-CE2 3.61Å; I613-F659 HydrophobicContact CD1-CZ 3.57Å; V630-F659 HydrophobicContact CB-CZ 4.42Å; V630-F659 HydrophobicContact CG1-CE2 3.88Å; V630-F659 HydrophobicContact CG1-CZ 3.57Å; V630-F659 HydrophobicContact CG2-CZ 3.9Å; H645-F659 WeakPolarHBondContact CB-O 3.33Å; L646-F659 HydrophobicContact CB-CB 4.06Å; L646-F659 PolarHBondContact N-O 3.04Å; L646-F659 PolarHBondContact O-N 3.03Å; V657-F659 HydrophobicContact CB-CE2 4.21Å; V657-F659 HydrophobicContact CG1-CD2 4.44Å; V657-F659 HydrophobicContact CG1-CE2 3.74Å; V657-F659 HydrophobicContact CG1-CZ 4.16Å; F659-L663 WeakPolarHBondContact CD1-O 3.1Å; F659-N664 CarbonylContact C-O 3.49Å; F659-N664 VanDerWaalsContact CA-O 3.24Å; F659-N664 WeakPolarHBondContact CA-O 3.44Å; F659-P665 HydrophobicContact CD1-CB 4.42Å; F659-P665 HydrophobicContact CD1-CG 4.17Å; F659-P665 HydrophobicContact CE1-CB 4.22Å; F659-P665 HydrophobicContact CE1-CG 3.73Å; F659-P665 HydrophobicContact CZ-CG 4.49Å
660	D	92.9	Very high	92.4	Very high	48 Å²	48	49.9 Å²	49.9	26%	0.257	29%	0.285	S	S	.	.			trans	-72	173.6	169.8	73.9	9.8	0	0	0	111.8	A662 L663 N664	D660-A662 PolarHBondContact O-N 2.94Å; D660-A662 VanDerWaalsContact O-N 3.11Å; D660-A662 VanDerWaalsContact OD1-CA 3.27Å; D660-A662 WeakPolarHBondContact OD1-CA 3.42Å; D660-A662 WeakPolarHBondContact OD1-CB 3.49Å; D660-A662 PolarHBondContact OD1-N 2.86Å; D660-L663 PolarHBondContact O-N 2.84Å; D660-L663 PolarHBondContact OD1-N 3.5Å; D660-N664 PolarHBondContact N-O 2.83Å; D660-N664 PolarHBondContact OD1-N 2.81Å; D660-N664 PolarHBondContact OD1-ND2 3.44Å; D660-N664 WeakPolarHBondContact OD2-CB 3.34Å; D660-N664 PolarHBondContact OD2-ND2 3.02Å
661	A	88.4	Confident	92.5	Very high	66 Å²	66	54 Å²	54	55%	0.545	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-2.8	177.2	0	0	0	0	0	114.5	G644	G644-A661 WeakPolarHBondContact O-CA 3.27Å
662	A	86.9	Confident	92.9	Very high	61 Å²	61	54 Å²	54	50%	0.504	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	11.9	172.3	0	0	0	0	0	112.4	D660 N664	D660-A662 PolarHBondContact O-N 2.94Å; D660-A662 VanDerWaalsContact O-N 3.11Å; D660-A662 VanDerWaalsContact OD1-CA 3.27Å; D660-A662 WeakPolarHBondContact OD1-CA 3.42Å; D660-A662 WeakPolarHBondContact OD1-CB 3.49Å; D660-A662 PolarHBondContact OD1-N 2.86Å; A662-N664 VanDerWaalsContact C-N 3.28Å; A662-N664 PolarHBondContact O-N 2.84Å
663	L	87.1	Confident	92.9	Very high	29 Å²	29	50.8 Å²	50.8	15%	0.152	30%	0.296	C	S	.	.	S	Bend	trans	63	25.1	-179.7	-52.2	178	0	0	0	114.7	L605 A615 L646 F659 D660	L605-L663 HydrophobicContact CD1-CD1 4.27Å; L605-L663 HydrophobicContact CD1-CD2 4Å; L605-L663 HydrophobicContact CD2-CD1 3.71Å; A615-L663 HydrophobicContact CB-CD1 4.49Å; L646-L663 HydrophobicContact CB-CD2 4.05Å; L646-L663 HydrophobicContact CD2-CD2 3.69Å; F659-L663 WeakPolarHBondContact CD1-O 3.1Å; D660-L663 PolarHBondContact O-N 2.84Å; D660-L663 PolarHBondContact OD1-N 3.5Å
664	N	90.7	Very high	92.7	Very high	82 Å²	82	56.8 Å²	56.8	44%	0.439	32%	0.324	S	S	.	.			trans	-83.3	135.7	167.3	-51.3	-68.8	0	0	0	109.8	F659 D660 A662 T666	F659-N664 CarbonylContact C-O 3.49Å; F659-N664 VanDerWaalsContact CA-O 3.24Å; F659-N664 WeakPolarHBondContact CA-O 3.44Å; D660-N664 PolarHBondContact N-O 2.83Å; D660-N664 PolarHBondContact OD1-N 2.81Å; D660-N664 PolarHBondContact OD1-ND2 3.44Å; D660-N664 WeakPolarHBondContact OD2-CB 3.34Å; D660-N664 PolarHBondContact OD2-ND2 3.02Å; A662-N664 VanDerWaalsContact C-N 3.28Å; A662-N664 PolarHBondContact O-N 2.84Å; N664-T666 PolarHBondContact O-N 2.84Å
665	P	90.2	Very high	92.3	Very high	85 Å²	85	59.1 Å²	59.1	55%	0.552	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.1	127.5	170.7	-19.1	29.5	0	0	0	110.9	F659 G667	F659-P665 HydrophobicContact CD1-CB 4.42Å; F659-P665 HydrophobicContact CD1-CG 4.17Å; F659-P665 HydrophobicContact CE1-CB 4.22Å; F659-P665 HydrophobicContact CE1-CG 3.73Å; F659-P665 HydrophobicContact CZ-CG 4.49Å; P665-G667 PolarHBondContact O-N 3.1Å
666	T	92.9	Very high	92.1	Very high	72 Å²	72	57.7 Å²	57.7	44%	0.442	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	-12	178.3	60.8	0	0	0	0	113.6	F658 N664 R668	F658-T666 WeakPolarHBondContact CB-OG1 3.05Å; F658-T666 WeakPolarHBondContact O-CB 3.44Å; F658-T666 WeakPolarHBondContact O-CG2 3.49Å; F658-T666 PolarHBondContact O-N 2.81Å; F658-T666 PolarHBondContact O-OG1 2.75Å; N664-T666 PolarHBondContact O-N 2.84Å; T666-R668 PolarHBondContact O-N 3.1Å; T666-R668 WeakPolarHBondContact OG1-CB 3.39Å; T666-R668 PolarHBondContact OG1-N 2.83Å
667	G	89.9	Confident	91.9	Very high	71 Å²	71	58 Å²	58	73%	0.732	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	79	-7.8	-168.4	0	0	0	0	0	114.4	P665	P665-G667 PolarHBondContact O-N 3.1Å
668	R	93.1	Very high	91.8	Very high	99 Å²	99	58.6 Å²	58.6	37%	0.374	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	134.4	171	-174.1	-177.2	-168.1	163.4	13.2	110.2	F658 T666 E670	F658-R668 HydrophobicContact CB-CB 4.16Å; F658-R668 HydrophobicContact CD2-CB 4.18Å; F658-R668 HydrophobicContact CD2-CG 3.86Å; F658-R668 HydrophobicContact CE2-CG 4.25Å; F658-R668 HydrophobicContact CG-CB 4.33Å; F658-R668 HydrophobicContact CG-CG 4.28Å; F658-R668 PolarHBondContact N-O 3.03Å; T666-R668 PolarHBondContact O-N 3.1Å; T666-R668 WeakPolarHBondContact OG1-CB 3.39Å; T666-R668 PolarHBondContact OG1-N 2.83Å; R668-E670 IonicContact CZ-OE1 2.74Å; R668-E670 VanDerWaalsContact CZ-OE1 3.24Å; R668-E670 IonicContact NE-OE1 3.35Å; R668-E670 PolarHBondContact NE-OE1 2.95Å; R668-E670 IonicContact NH2-OE1 3.41Å; R668-E670 PolarHBondContact NH2-OE1 3.17Å
669	T	93.6	Very high	91.9	Very high	64 Å²	64	57.4 Å²	57.4	39%	0.393	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	133.9	173.5	-63.5	0	0	0	0	109.2	R655 L656 V657	R655-T669 HydrophobicContact CB-CG2 3.98Å; R655-T669 HydrophobicContact CG-CG2 3.89Å; L656-T669 VanDerWaalsContact O-CA 3.27Å; L656-T669 WeakPolarHBondContact O-CA 3.42Å; V657-T669 HydrophobicContact CG2-CG2 4Å
670	E	94.4	Very high	92	Very high	56 Å²	56	58.5 Å²	58.5	26%	0.262	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141.5	176.9	-47.6	-70.2	177.9	0	0	107.9	R655 L656 F658 R668 M706	R655-E670 CarbonylContact C-O 3.52Å; R655-E670 WeakPolarHBondContact CA-O 3.43Å; L656-E670 HydrophobicContact CB-CB 4.47Å; L656-E670 PolarHBondContact N-O 3Å; L656-E670 PolarHBondContact O-N 2.85Å; F658-E670 HydrophobicContact CE2-CG 3.81Å; F658-E670 HydrophobicContact CZ-CG 4.27Å; R668-E670 IonicContact CZ-OE1 2.74Å; R668-E670 VanDerWaalsContact CZ-OE1 3.24Å; R668-E670 IonicContact NE-OE1 3.35Å; R668-E670 PolarHBondContact NE-OE1 2.95Å; R668-E670 IonicContact NH2-OE1 3.41Å; R668-E670 PolarHBondContact NH2-OE1 3.17Å; E670-M706 HydrophobicContact CB-CE 4.33Å; E670-M706 HydrophobicContact CG-CB 4.1Å; E670-M706 HydrophobicContact CG-CE 3.99Å; E670-M706 HydrophobicContact CG-CG 3.99Å
671	E	94.7	Very high	92.2	Very high	86 Å²	86	56.5 Å²	56.5	40%	0.402	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.4	-179.4	-170.6	174.3	136	0	0	111.3	D653 R654 R655	D653-E671 WeakPolarHBondContact O-CG 3.42Å; R654-E671 HydrophobicContact CB-CG 4.38Å; R654-E671 IonicContact CZ-OE1 3.8Å; R654-E671 IonicContact NE-OE1 3.83Å; R654-E671 IonicContact NH2-OE1 3.54Å; R654-E671 PolarHBondContact NH2-OE1 2.86Å; R655-E671 HydrophobicContact CG-CB 3.95Å; R655-E671 HydrophobicContact CG-CG 3.92Å; R655-E671 IonicContact CZ-OE2 2.64Å; R655-E671 IonicContact NE-OE2 2.71Å; R655-E671 PolarHBondContact NE-OE2 3.18Å; R655-E671 IonicContact NH2-OE2 2.69Å; R655-E671 PolarHBondContact NH2-OE2 3.46Å
672	L	94.4	Very high	92.6	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	31%	0.307	C	S	.	.			trans	-73	144.1	174.3	-56.8	-175.1	0	0	0	111.2	R654 V679 I692 T694 L700 I708	R654-L672 HydrophobicContact CB-CB 4.14Å; R654-L672 WeakPolarHBondContact CD-O 3.49Å; R654-L672 PolarHBondContact NE-O 2.86Å; R654-L672 VanDerWaalsContact NE-O 3.1Å; R654-L672 PolarHBondContact O-N 2.96Å; L672-V679 HydrophobicContact CD1-CG2 3.7Å; L672-V679 HydrophobicContact CG-CG2 4.31Å; L672-I692 HydrophobicContact CD1-CG2 4.34Å; L672-I692 HydrophobicContact CD2-CD1 4.43Å; L672-T694 HydrophobicContact CD1-CG2 4.29Å; L672-L700 HydrophobicContact CD1-CD1 3.92Å; L672-L700 HydrophobicContact CD2-CD1 3.82Å; L672-L700 HydrophobicContact CG-CD1 4.47Å; L672-I708 HydrophobicContact CD2-CD1 3.53Å; L672-I708 HydrophobicContact CD2-CG2 4.17Å
673	T	92	Very high	93	Very high	69 Å²	69	52 Å²	52	42%	0.423	29%	0.29	S	S	.	.			trans	-64.9	154.1	174.7	71.8	0	0	0	0	111.5	L675 Y676 G677	T673-L675 PolarHBondContact O-N 2.95Å; T673-Y676 HydrophobicContact CG2-CE2 4.43Å; T673-Y676 PolarHBondContact O-N 3.36Å; T673-Y676 VanDerWaalsContact O-N 3.1Å; T673-Y676 WeakPolarHBondContact OG1-CD2 3.42Å; T673-G677 PolarHBondContact O-N 3.25Å
674	E	89.4	Confident	93.3	Very high	136 Å²	136	52 Å²	52	64%	0.636	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.6	179.8	-161.2	150.9	152.3	0	0	113.6	R654 G677 K696	R654-E674 IonicContact CZ-OE2 3.77Å; R654-E674 VanDerWaalsContact NH1-CD 3.33Å; R654-E674 IonicContact NH1-OE2 2.78Å; R654-E674 PolarHBondContact NH1-OE2 3.48Å; E674-G677 PolarHBondContact O-N 3.25Å; E674-K696 PolarHBondContact O-NZ 2.62Å
675	L	87.7	Confident	93.4	Very high	100 Å²	100	48.4 Å²	48.4	52%	0.524	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-43.5	173.7	-60.9	174.8	0	0	0	111.2	T673 K696 M698	T673-L675 PolarHBondContact O-N 2.95Å; L675-K696 WeakPolarHBondContact O-CD 3.48Å; L675-M698 WeakPolarHBondContact O-CE 3.44Å
676	Y	91.5	Very high	93.4	Very high	43 Å²	43	47.5 Å²	47.5	17%	0.169	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-27.7	178.8	-57.1	-28	0	0	0	113.3	T673 T694 M698 L700 I708	T673-Y676 HydrophobicContact CG2-CE2 4.43Å; T673-Y676 PolarHBondContact O-N 3.36Å; T673-Y676 VanDerWaalsContact O-N 3.1Å; T673-Y676 WeakPolarHBondContact OG1-CD2 3.42Å; Y676-T694 WeakPolarHBondContact O-CB 3.44Å; Y676-T694 WeakPolarHBondContact O-CG2 3.49Å; Y676-T694 PolarHBondContact O-OG1 2.82Å; Y676-M698 HydrophobicContact CD1-SD 3.95Å; Y676-L700 HydrophobicContact CD1-CD2 3.85Å; Y676-L700 HydrophobicContact CD2-CD1 3.62Å; Y676-L700 HydrophobicContact CD2-CD2 4.12Å; Y676-L700 HydrophobicContact CE1-CD2 4.16Å; Y676-L700 HydrophobicContact CE2-CD1 4.25Å; Y676-L700 HydrophobicContact CE2-CD2 4.4Å; Y676-L700 HydrophobicContact CG-CD1 3.88Å; Y676-L700 HydrophobicContact CG-CD2 3.83Å; Y676-I708 HydrophobicContact CE2-CG2 4.07Å; Y676-I708 PolarHBondContact OH-O 2.85Å
677	G	92.2	Very high	93.1	Very high	7 Å²	7	46.9 Å²	46.9	7%	0.072	27%	0.274	C	S	.	.			trans	79.8	-169.6	-178.3	0	0	0	0	0	114.2	T673 E674	T673-G677 PolarHBondContact O-N 3.25Å; E674-G677 PolarHBondContact O-N 3.25Å
678	S	95.2	Very high	93	Very high	27 Å²	27	49.5 Å²	49.5	19%	0.189	27%	0.267	C	S	.	.	S	Bend	trans	-72.3	151.9	-175.1	-60.3	0	0	0	0	113.2	G651 R680 T694 T695	G651-S678 WeakPolarHBondContact O-CB 3.49Å; G651-S678 PolarHBondContact O-OG 2.9Å; S678-R680 PolarHBondContact O-N 3.19Å; S678-T694 CarbonylContact O-C 3.52Å; S678-T694 VanDerWaalsContact O-CA 3.22Å; S678-T694 WeakPolarHBondContact O-CA 3.07Å; S678-T694 WeakPolarHBondContact O-CB 3.41Å; S678-T695 WeakPolarHBondContact CB-OG1 3.23Å; S678-T695 PolarHBondContact N-OG1 2.82Å; S678-T695 PolarHBondContact O-N 3.11Å
679	V	97.3	Very high	92.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	130.5	171.8	-176.4	0	0	0	0	109.5	F636 G650 L656 L672 I682 I692	F636-V679 WeakPolarHBondContact CD2-O 3.5Å; G650-V679 PolarHBondContact O-N 3.39Å; L656-V679 HydrophobicContact CD2-CG1 4.5Å; L656-V679 HydrophobicContact CD2-CG2 3.93Å; L672-V679 HydrophobicContact CD1-CG2 3.7Å; L672-V679 HydrophobicContact CG-CG2 4.31Å; V679-I682 HydrophobicContact CG1-CD1 4.08Å; V679-I682 HydrophobicContact CG1-CG1 3.75Å; V679-I692 HydrophobicContact CG1-CG2 4.02Å; V679-I692 HydrophobicContact CG2-CG2 4.42Å
680	R	97.1	Very high	93	Very high	26 Å²	26	43.6 Å²	43.6	10%	0.098	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-44.2	170.3	171.6	61.6	75.9	-134.3	4.2	112.2	G401 R402 C404 F636 S678 G693 T695	G401-R680 VanDerWaalsContact O-CG 3.31Å; G401-R680 WeakPolarHBondContact O-CG 3.47Å; G401-R680 PolarHBondContact O-NE 3.16Å; R402-R680 PolarHBondContact O-NH2 3.09Å; C404-R680 WeakPolarHBondContact O-CD 3.26Å; C404-R680 WeakPolarHBondContact O-CG 3.24Å; C404-R680 PolarHBondContact O-NE 3.2Å; C404-R680 VanDerWaalsContact O-NE 3.13Å; F636-R680 VanDerWaalsContact CD2-NH1 3.35Å; F636-R680 VanDerWaalsContact CE1-NH1 3.31Å; S678-R680 PolarHBondContact O-N 3.19Å; R680-G693 WeakPolarHBondContact CA-O 3.27Å; R680-G693 WeakPolarHBondContact CB-O 3.33Å; R680-G693 PolarHBondContact N-O 2.78Å; R680-T695 HydrophobicContact CB-CG2 4.24Å
681	T	97.2	Very high	93.1	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	146.4	-174.8	-170.8	0	0	0	0	109.8	Y399 L408 I692 G693	Y399-T681 VanDerWaalsContact OH-CG2 3.23Å; Y399-T681 WeakPolarHBondContact OH-CG2 3.45Å; L408-T681 HydrophobicContact CB-CG2 3.67Å; L408-T681 HydrophobicContact CD2-CG2 4.04Å; L408-T681 HydrophobicContact CG-CG2 4.49Å; T681-I692 CarbonylContact O-C 3.59Å; T681-I692 WeakPolarHBondContact O-CA 3.37Å; T681-G693 PolarHBondContact N-O 3.22Å; T681-G693 VanDerWaalsContact N-O 3.09Å; T681-G693 PolarHBondContact O-N 3.47Å
682	I	97.2	Very high	93.2	Very high	10 Å²	10	36.8 Å²	36.8	5%	0.051	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133.2	177.4	-55.1	164.6	0	0	0	107.3	S637 C639 I647 L656 V679 I691	S637-I682 PolarHBondContact OG-N 3.36Å; C639-I682 HydrophobicContact CB-CB 3.84Å; C639-I682 HydrophobicContact CB-CG2 3.68Å; I647-I682 HydrophobicContact CG2-CD1 4.14Å; L656-I682 HydrophobicContact CD2-CD1 3.55Å; L656-I682 HydrophobicContact CD2-CG1 4.15Å; V679-I682 HydrophobicContact CG1-CD1 4.08Å; V679-I682 HydrophobicContact CG1-CG1 3.75Å; I682-I691 WeakPolarHBondContact CA-O 3.39Å
683	T	95.5	Very high	93.4	Very high	23 Å²	23	36.7 Å²	36.7	14%	0.141	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	145.8	170	-165	0	0	0	0	109.7	L408 L416 I691	L408-T683 HydrophobicContact CG-CG2 4.3Å; L416-T683 HydrophobicContact CD2-CG2 4.49Å; T683-I691 HydrophobicContact CG2-CB 3.88Å; T683-I691 HydrophobicContact CG2-CG2 4.34Å; T683-I691 PolarHBondContact N-O 2.72Å; T683-I691 PolarHBondContact O-N 3.08Å
684	Q	94	Very high	93.7	Very high	29 Å²	29	33.4 Å²	33.4	14%	0.136	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	130.9	175.9	-168.3	-178.8	1.8	0	0	109.5	N642 G687	N642-Q684 PolarHBondContact ND2-OE1 2.79Å; Q684-G687 PolarHBondContact NE2-O 3.09Å
685	G	91.7	Very high	94	Very high	6 Å²	6	28.5 Å²	28.5	6%	0.062	17%	0.167	C	C	.	.			trans	-88.1	-149.8	169.6	0	0	0	0	0	112.1	L689	G685-L689 PolarHBondContact N-O 2.84Å
686	P	89.5	Confident	94.3	Very high	67 Å²	67	25.5 Å²	25.5	44%	0.435	15%	0.149	S	C	.	.	S	Bend	trans	-74.2	138.3	174.8	31.5	-31.6	0	0	0	110.9	E688 L689	P686-E688 PolarHBondContact O-N 2.84Å; P686-L689 HydrophobicContact CG-CD2 4.39Å; P686-L689 WeakPolarHBondContact O-CB 3.48Å; P686-L689 PolarHBondContact O-N 3.01Å
687	G	87.5	Confident	94.6	Very high	59 Å²	59	23.5 Å²	23.5	61%	0.608	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	-126.3	-180	0	0	0	0	0	112.3	Q684	Q684-G687 PolarHBondContact NE2-O 3.09Å
688	E	87.4	Confident	94.7	Very high	126 Å²	126	23.5 Å²	23.5	59%	0.589	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	5.6	-180	-60.2	-174.5	156.8	0	0	113.5	P686 L690 P704	P686-E688 PolarHBondContact O-N 2.84Å; E688-L690 PolarHBondContact O-N 3.3Å; E688-P704 HydrophobicContact CB-CB 4.49Å; E688-P704 HydrophobicContact CB-CG 4.4Å
689	L	92.1	Very high	94.8	Very high	31 Å²	31	22.2 Å²	22.2	16%	0.162	13%	0.131	C	C	.	.			trans	-63.4	124.8	179.6	-168.9	72.1	0	0	0	110.6	G685 P686 I691 Q701	G685-L689 PolarHBondContact N-O 2.84Å; P686-L689 HydrophobicContact CG-CD2 4.39Å; P686-L689 WeakPolarHBondContact O-CB 3.48Å; P686-L689 PolarHBondContact O-N 3.01Å; L689-I691 HydrophobicContact CD2-CD1 3.81Å; L689-I691 HydrophobicContact CD2-CG1 4.42Å; L689-I691 HydrophobicContact CG-CD1 4.02Å; L689-Q701 HydrophobicContact CD1-CB 4.3Å
690	L	95.1	Very high	94.8	Very high	7 Å²	7	22.2 Å²	22.2	4%	0.037	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	134.2	170.7	-56.2	179.8	0	0	0	109.7	I647 F658 E688 Q701 A702 M706	I647-L690 HydrophobicContact CD1-CD1 3.61Å; I647-L690 HydrophobicContact CD1-CD2 3.64Å; I647-L690 HydrophobicContact CD1-CG 4.28Å; F658-L690 HydrophobicContact CE1-CD1 4.14Å; F658-L690 HydrophobicContact CZ-CD1 4.25Å; E688-L690 PolarHBondContact O-N 3.3Å; L690-Q701 CarbonylContact O-C 3.55Å; L690-Q701 WeakPolarHBondContact O-CA 3.46Å; L690-A702 HydrophobicContact CB-CB 4.37Å; L690-A702 PolarHBondContact N-O 2.79Å; L690-A702 PolarHBondContact O-N 2.87Å; L690-M706 HydrophobicContact CD1-CE 4.2Å; L690-M706 HydrophobicContact CD1-SD 3.8Å
691	I	96.6	Very high	94.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.6	175	-55.1	-64.5	0	0	0	108.5	L408 L416 I429 I682 T683 L689 I699 L700 Q701 L711	L408-I691 HydrophobicContact CD2-CG2 3.91Å; L408-I691 HydrophobicContact CG-CG2 4.35Å; L416-I691 HydrophobicContact CD1-CG2 3.88Å; L416-I691 HydrophobicContact CD2-CB 4.29Å; L416-I691 HydrophobicContact CD2-CG1 4.18Å; L416-I691 HydrophobicContact CD2-CG2 3.81Å; I429-I691 HydrophobicContact CD1-CD1 4.34Å; I682-I691 WeakPolarHBondContact CA-O 3.39Å; T683-I691 HydrophobicContact CG2-CB 3.88Å; T683-I691 HydrophobicContact CG2-CG2 4.34Å; T683-I691 PolarHBondContact N-O 2.72Å; T683-I691 PolarHBondContact O-N 3.08Å; L689-I691 HydrophobicContact CD2-CD1 3.81Å; L689-I691 HydrophobicContact CD2-CG1 4.42Å; L689-I691 HydrophobicContact CG-CD1 4.02Å; I691-I699 HydrophobicContact CG2-CG2 3.67Å; I691-L700 WeakPolarHBondContact CA-O 3.31Å; I691-Q701 HydrophobicContact CD1-CB 3.78Å; I691-L711 HydrophobicContact CD1-CD1 3.81Å
692	I	97.5	Very high	94.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	115.4	-166.3	-49.4	160.3	0	0	0	109.3	L656 L672 V679 T681 I699 L700 A702	L656-I692 HydrophobicContact CD1-CD1 3.78Å; L672-I692 HydrophobicContact CD1-CG2 4.34Å; L672-I692 HydrophobicContact CD2-CD1 4.43Å; V679-I692 HydrophobicContact CG1-CG2 4.02Å; V679-I692 HydrophobicContact CG2-CG2 4.42Å; T681-I692 CarbonylContact O-C 3.59Å; T681-I692 WeakPolarHBondContact O-CA 3.37Å; I692-I699 CarbonylContact O-C 3.58Å; I692-I699 WeakPolarHBondContact O-CA 3.33Å; I692-L700 HydrophobicContact CB-CB 4.29Å; I692-L700 PolarHBondContact N-O 2.74Å; I692-L700 PolarHBondContact O-N 2.68Å; I692-A702 HydrophobicContact CD1-CB 4.44Å
693	G	97.9	Very high	94	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	134.6	168.5	0	0	0	0	0	110.3	R680 T681 M698	R680-G693 WeakPolarHBondContact CA-O 3.27Å; R680-G693 WeakPolarHBondContact CB-O 3.33Å; R680-G693 PolarHBondContact N-O 2.78Å; T681-G693 PolarHBondContact N-O 3.22Å; T681-G693 VanDerWaalsContact N-O 3.09Å; T681-G693 PolarHBondContact O-N 3.47Å; G693-M698 WeakPolarHBondContact CA-O 3.32Å
694	T	97.5	Very high	93.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	165.3	-175.8	84	0	0	0	0	113.5	G401 L672 Y676 S678 K696 N697 M698 L700	G401-T694 CarbonylContact C-O 3.55Å; G401-T694 WeakPolarHBondContact CA-O 3.31Å; L672-T694 HydrophobicContact CD1-CG2 4.29Å; Y676-T694 WeakPolarHBondContact O-CB 3.44Å; Y676-T694 WeakPolarHBondContact O-CG2 3.49Å; Y676-T694 PolarHBondContact O-OG1 2.82Å; S678-T694 CarbonylContact O-C 3.52Å; S678-T694 VanDerWaalsContact O-CA 3.22Å; S678-T694 WeakPolarHBondContact O-CA 3.07Å; S678-T694 WeakPolarHBondContact O-CB 3.41Å; T694-K696 VanDerWaalsContact C-N 3.26Å; T694-K696 PolarHBondContact O-N 3.05Å; T694-K696 PolarHBondContact OG1-N 3.02Å; T694-N697 PolarHBondContact O-N 3.16Å; T694-M698 HydrophobicContact CG2-CB 4.37Å; T694-M698 PolarHBondContact N-O 2.93Å; T694-M698 PolarHBondContact OG1-N 2.97Å; T694-L700 HydrophobicContact CG2-CD1 3.84Å; T694-L700 HydrophobicContact CG2-CD2 4.5Å; T694-L700 HydrophobicContact CG2-CG 3.9Å
695	T	95.6	Very high	92.6	Very high	33 Å²	33	28.1 Å²	28.1	20%	0.202	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-13.6	175.5	61	0	0	0	0	114.3	S678 R680 N697	S678-T695 WeakPolarHBondContact CB-OG1 3.23Å; S678-T695 PolarHBondContact N-OG1 2.82Å; S678-T695 PolarHBondContact O-N 3.11Å; R680-T695 HydrophobicContact CB-CG2 4.24Å; T695-N697 VanDerWaalsContact C-N 3.27Å
696	K	95.1	Very high	92.4	Very high	36 Å²	36	28.7 Å²	28.7	16%	0.157	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	28.7	170.9	-74.6	-174.8	165.1	-178.2	0	111.9	E674 L675 T694 M698 F716	E674-K696 PolarHBondContact O-NZ 2.62Å; L675-K696 WeakPolarHBondContact O-CD 3.48Å; T694-K696 VanDerWaalsContact C-N 3.26Å; T694-K696 PolarHBondContact O-N 3.05Å; T694-K696 PolarHBondContact OG1-N 3.02Å; K696-M698 PolarHBondContact O-N 2.67Å; K696-M698 VanDerWaalsContact O-N 3.11Å; K696-F716 HydrophobicContact CB-CD1 3.78Å; K696-F716 HydrophobicContact CB-CE1 4.12Å; K696-F716 HydrophobicContact CB-CG 4.22Å; K696-F716 HydrophobicContact CD-CD1 4.41Å; K696-F716 HydrophobicContact CD-CE1 3.87Å; K696-F716 HydrophobicContact CD-CZ 4.17Å; K696-F716 HydrophobicContact CG-CD1 3.88Å; K696-F716 HydrophobicContact CG-CD2 4.47Å; K696-F716 HydrophobicContact CG-CE1 3.77Å; K696-F716 HydrophobicContact CG-CE2 4.39Å; K696-F716 HydrophobicContact CG-CG 4.24Å; K696-F716 HydrophobicContact CG-CZ 4.05Å
697	N	96.7	Very high	92.3	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	20%	0.202	C	C	.	.	S	Bend	trans	58.2	22.9	175.8	-75.9	-0.3	0	0	0	115.9	Y399 G401 R402 T694 T695 H715 F716 T1025	Y399-N697 PolarHBondContact N-O 3.29Å; Y399-N697 CarbonylContact O-C 3.53Å; Y399-N697 WeakPolarHBondContact O-CA 3.45Å; Y399-N697 WeakPolarHBondContact O-CB 3.43Å; Y399-N697 PolarHBondContact O-OD1 3.32Å; Y399-N697 VanDerWaalsContact O-OD1 3.08Å; G401-N697 PolarHBondContact N-OD1 2.87Å; R402-N697 WeakPolarHBondContact CB-OD1 3.47Å; R402-N697 PolarHBondContact N-OD1 2.67Å; T694-N697 PolarHBondContact O-N 3.16Å; T695-N697 VanDerWaalsContact C-N 3.27Å; N697-H715 WeakPolarHBondContact CB-O 3.09Å; N697-H715 PolarHBondContact ND2-O 2.91Å; N697-F716 HydrophobicContact CB-CB 4.1Å; N697-T1025 WeakPolarHBondContact ND2-CB 3Å; N697-T1025 PolarHBondContact ND2-OG1 3.42Å
698	M	95.7	Very high	92.6	Very high	8 Å²	8	32.3 Å²	32.3	4%	0.039	18%	0.183	C	C	.	.			trans	-96.3	152.3	175.2	-57	-173.7	-171.8	0	0	111.7	Y399 L675 Y676 G693 T694 K696 L700 M712 F713	Y399-M698 WeakPolarHBondContact CD1-O 3.46Å; L675-M698 WeakPolarHBondContact O-CE 3.44Å; Y676-M698 HydrophobicContact CD1-SD 3.95Å; G693-M698 WeakPolarHBondContact CA-O 3.32Å; T694-M698 HydrophobicContact CG2-CB 4.37Å; T694-M698 PolarHBondContact N-O 2.93Å; T694-M698 PolarHBondContact OG1-N 2.97Å; K696-M698 PolarHBondContact O-N 2.67Å; K696-M698 VanDerWaalsContact O-N 3.11Å; M698-L700 HydrophobicContact CB-CD2 4.24Å; M698-M712 VanDerWaalsContact CA-O 3.26Å; M698-M712 WeakPolarHBondContact CA-O 3.39Å; M698-F713 HydrophobicContact CE-CD1 3.99Å; M698-F713 HydrophobicContact CE-CE1 4.29Å; M698-F713 HydrophobicContact SD-CD1 4.16Å; M698-F713 HydrophobicContact SD-CE1 4.33Å
699	I	97.3	Very high	92.8	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.1	160.9	-60.4	171.7	0	0	0	107.4	Y399 L408 L416 Y418 I691 I692 L711 M712	Y399-I699 HydrophobicContact CD1-CG1 3.85Å; Y399-I699 HydrophobicContact CD2-CD1 4.22Å; Y399-I699 HydrophobicContact CD2-CG1 4.26Å; Y399-I699 HydrophobicContact CG-CD1 3.95Å; Y399-I699 HydrophobicContact CG-CG1 3.65Å; L408-I699 HydrophobicContact CD1-CD1 3.87Å; L408-I699 HydrophobicContact CD1-CG1 4.48Å; L408-I699 HydrophobicContact CD2-CD1 4.45Å; L408-I699 HydrophobicContact CD2-CG1 4.17Å; L408-I699 HydrophobicContact CD2-CG2 4.13Å; L416-I699 HydrophobicContact CD1-CG2 4.42Å; Y418-I699 HydrophobicContact CD1-CD1 3.79Å; Y418-I699 HydrophobicContact CD2-CD1 4.17Å; Y418-I699 HydrophobicContact CE1-CD1 3.71Å; Y418-I699 HydrophobicContact CE2-CD1 4.09Å; Y418-I699 HydrophobicContact CG-CD1 4.02Å; I691-I699 HydrophobicContact CG2-CG2 3.67Å; I692-I699 CarbonylContact O-C 3.58Å; I692-I699 WeakPolarHBondContact O-CA 3.33Å; I699-L711 HydrophobicContact CG2-CB 4.24Å; I699-L711 HydrophobicContact CG2-CD1 4.46Å; I699-L711 PolarHBondContact O-N 3.08Å; I699-M712 HydrophobicContact CB-CB 4.05Å; I699-M712 HydrophobicContact CD1-CB 4.37Å; I699-M712 HydrophobicContact CG1-CB 4.37Å; I699-M712 PolarHBondContact N-O 2.94Å; I699-M712 PolarHBondContact O-N 2.69Å; I699-M712 VanDerWaalsContact O-N 3.09Å
700	L	96	Very high	92.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	154.6	173.9	-41.5	175.9	0	0	0	110.1	L672 Y676 I691 I692 T694 M698 I708 S709 P710	L672-L700 HydrophobicContact CD1-CD1 3.92Å; L672-L700 HydrophobicContact CD2-CD1 3.82Å; L672-L700 HydrophobicContact CG-CD1 4.47Å; Y676-L700 HydrophobicContact CD1-CD2 3.85Å; Y676-L700 HydrophobicContact CD2-CD1 3.62Å; Y676-L700 HydrophobicContact CD2-CD2 4.12Å; Y676-L700 HydrophobicContact CE1-CD2 4.16Å; Y676-L700 HydrophobicContact CE2-CD1 4.25Å; Y676-L700 HydrophobicContact CE2-CD2 4.4Å; Y676-L700 HydrophobicContact CG-CD1 3.88Å; Y676-L700 HydrophobicContact CG-CD2 3.83Å; I691-L700 WeakPolarHBondContact CA-O 3.31Å; I692-L700 HydrophobicContact CB-CB 4.29Å; I692-L700 PolarHBondContact N-O 2.74Å; I692-L700 PolarHBondContact O-N 2.68Å; T694-L700 HydrophobicContact CG2-CD1 3.84Å; T694-L700 HydrophobicContact CG2-CD2 4.5Å; T694-L700 HydrophobicContact CG2-CG 3.9Å; M698-L700 HydrophobicContact CB-CD2 4.24Å; L700-I708 HydrophobicContact CB-CG2 3.99Å; L700-I708 HydrophobicContact CD1-CG2 3.77Å; L700-I708 HydrophobicContact CG-CG2 4.44Å; L700-S709 CarbonylContact C-O 3.55Å; L700-S709 VanDerWaalsContact CA-O 3.29Å; L700-S709 WeakPolarHBondContact CA-O 3.47Å; L700-P710 HydrophobicContact CD2-CB 4.14Å
701	Q	95	Very high	92.7	Very high	53 Å²	53	28 Å²	28	25%	0.248	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	147.7	161	63.1	-175.2	-10.7	0	0	110	L689 L690 I691 I708 S709 L711	L689-Q701 HydrophobicContact CD1-CB 4.3Å; L690-Q701 CarbonylContact O-C 3.55Å; L690-Q701 WeakPolarHBondContact O-CA 3.46Å; I691-Q701 HydrophobicContact CD1-CB 3.78Å; Q701-I708 WeakPolarHBondContact O-CA 3.3Å; Q701-S709 VanDerWaalsContact CG-OG 3.23Å; Q701-S709 WeakPolarHBondContact CG-OG 3.34Å; Q701-S709 PolarHBondContact N-O 3.26Å; Q701-S709 PolarHBondContact NE2-OG 3.06Å; Q701-S709 VanDerWaalsContact NE2-OG 3.07Å; Q701-S709 PolarHBondContact O-N 2.75Å; Q701-L711 HydrophobicContact CB-CD1 3.81Å; Q701-L711 HydrophobicContact CB-CG 3.93Å; Q701-L711 HydrophobicContact CG-CD1 4.32Å; Q701-L711 HydrophobicContact CG-CD2 4.28Å; Q701-L711 HydrophobicContact CG-CG 3.9Å
702	A	94.1	Very high	92.5	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	117.2	166.2	0	0	0	0	0	109	L690 I692 M706 I708	L690-A702 HydrophobicContact CB-CB 4.37Å; L690-A702 PolarHBondContact N-O 2.79Å; L690-A702 PolarHBondContact O-N 2.87Å; I692-A702 HydrophobicContact CD1-CB 4.44Å; A702-M706 HydrophobicContact CB-CE 3.48Å; A702-M706 VanDerWaalsContact CB-CE 3.48Å; A702-M706 HydrophobicContact CB-SD 3.65Å; A702-I708 HydrophobicContact CB-CG1 3.96Å
703	G	86.9	Confident	92.2	Very high	17 Å²	17	29.8 Å²	29.8	18%	0.175	18%	0.176	C	C	.	.			trans	-74.1	-178.1	177	0	0	0	0	0	113	G705 M706 E707	G703-G705 PolarHBondContact O-N 3.37Å; G703-G705 VanDerWaalsContact O-N 3.07Å; G703-M706 WeakPolarHBondContact O-CA 3.44Å; G703-M706 PolarHBondContact O-N 3.43Å; G703-E707 PolarHBondContact N-O 2.96Å
704	P	78.8	Confident	91.7	Very high	89 Å²	89	29.9 Å²	29.9	58%	0.578	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-31.7	-178.3	-28.4	35.9	0	0	0	114.9	E688 M706	E688-P704 HydrophobicContact CB-CB 4.49Å; E688-P704 HydrophobicContact CB-CG 4.4Å; P704-M706 VanDerWaalsContact C-N 3.26Å; P704-M706 PolarHBondContact O-N 3.24Å
705	G	81.5	Confident	91.7	Very high	57 Å²	57	30 Å²	30	59%	0.588	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-2	174.2	0	0	0	0	0	115.6	G703 E707	G703-G705 PolarHBondContact O-N 3.37Å; G703-G705 VanDerWaalsContact O-N 3.07Å; G705-E707 PolarHBondContact O-N 3.47Å
706	M	85.8	Confident	91.7	Very high	18 Å²	18	29.9 Å²	29.9	9%	0.089	17%	0.174	C	C	.	.			trans	55.4	33.6	-161.9	-68.7	-61.3	-60.1	0	0	114.1	L656 F658 E670 L690 A702 G703 P704 I708	L656-M706 HydrophobicContact CD1-CE 3.5Å; L656-M706 VanDerWaalsContact CD1-CE 3.5Å; F658-M706 HydrophobicContact CZ-CE 4.11Å; F658-M706 HydrophobicContact CZ-CG 4.41Å; F658-M706 HydrophobicContact CZ-SD 4.04Å; E670-M706 HydrophobicContact CB-CE 4.33Å; E670-M706 HydrophobicContact CG-CB 4.1Å; E670-M706 HydrophobicContact CG-CE 3.99Å; E670-M706 HydrophobicContact CG-CG 3.99Å; L690-M706 HydrophobicContact CD1-CE 4.2Å; L690-M706 HydrophobicContact CD1-SD 3.8Å; A702-M706 HydrophobicContact CB-CE 3.48Å; A702-M706 VanDerWaalsContact CB-CE 3.48Å; A702-M706 HydrophobicContact CB-SD 3.65Å; G703-M706 WeakPolarHBondContact O-CA 3.44Å; G703-M706 PolarHBondContact O-N 3.43Å; P704-M706 VanDerWaalsContact C-N 3.26Å; P704-M706 PolarHBondContact O-N 3.24Å; M706-I708 HydrophobicContact CE-CD1 4.08Å; M706-I708 HydrophobicContact CE-CG1 4.39Å; M706-I708 VanDerWaalsContact O-CG1 3.3Å; M706-I708 WeakPolarHBondContact O-CG1 3.36Å; M706-I708 PolarHBondContact O-N 3.1Å; M706-I708 VanDerWaalsContact O-N 3.15Å
707	E	88.3	Confident	91.7	Very high	162 Å²	162	30.5 Å²	30.5	76%	0.757	18%	0.178	S	C	*	.			trans	-71	103.6	166.5	-67.8	176.3	-168.5	0	0	109.1	G703 G705	G703-E707 PolarHBondContact N-O 2.96Å; G705-E707 PolarHBondContact O-N 3.47Å
708	I	93.3	Very high	91.7	Very high	41 Å²	41	31.6 Å²	31.6	21%	0.21	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	116.9	-172.8	-47.1	-169.5	0	0	0	111.3	L672 Y676 L700 Q701 A702 M706	L672-I708 HydrophobicContact CD2-CD1 3.53Å; L672-I708 HydrophobicContact CD2-CG2 4.17Å; Y676-I708 HydrophobicContact CE2-CG2 4.07Å; Y676-I708 PolarHBondContact OH-O 2.85Å; L700-I708 HydrophobicContact CB-CG2 3.99Å; L700-I708 HydrophobicContact CD1-CG2 3.77Å; L700-I708 HydrophobicContact CG-CG2 4.44Å; Q701-I708 WeakPolarHBondContact O-CA 3.3Å; A702-I708 HydrophobicContact CB-CG1 3.96Å; M706-I708 HydrophobicContact CE-CD1 4.08Å; M706-I708 HydrophobicContact CE-CG1 4.39Å; M706-I708 VanDerWaalsContact O-CG1 3.3Å; M706-I708 WeakPolarHBondContact O-CG1 3.36Å; M706-I708 PolarHBondContact O-N 3.1Å; M706-I708 VanDerWaalsContact O-N 3.15Å
709	S	92	Very high	91.7	Very high	35 Å²	35	31.2 Å²	31.2	25%	0.245	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	149.3	177.7	53.4	0	0	0	0	112	L700 Q701	L700-S709 CarbonylContact C-O 3.55Å; L700-S709 VanDerWaalsContact CA-O 3.29Å; L700-S709 WeakPolarHBondContact CA-O 3.47Å; Q701-S709 VanDerWaalsContact CG-OG 3.23Å; Q701-S709 WeakPolarHBondContact CG-OG 3.34Å; Q701-S709 PolarHBondContact N-O 3.26Å; Q701-S709 PolarHBondContact NE2-OG 3.06Å; Q701-S709 VanDerWaalsContact NE2-OG 3.07Å; Q701-S709 PolarHBondContact O-N 2.75Å
710	P	92.1	Very high	91.7	Very high	27 Å²	27	33.8 Å²	33.8	18%	0.175	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	132.5	174.7	30.3	-32.8	0	0	0	111.1	L700 F713	L700-P710 HydrophobicContact CD2-CB 4.14Å; P710-F713 HydrophobicContact CB-CD2 4.28Å; P710-F713 HydrophobicContact CB-CE2 3.7Å; P710-F713 HydrophobicContact CB-CZ 3.85Å; P710-F713 HydrophobicContact CG-CE2 3.54Å; P710-F713 HydrophobicContact CG-CZ 3.52Å
711	L	92.3	Very high	91.8	Very high	11 Å²	11	33.9 Å²	33.9	6%	0.058	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-26.9	167.7	-81.4	179.5	0	0	0	112.6	L416 I429 I691 I699 Q701	L416-L711 HydrophobicContact CD1-CD1 4.18Å; I429-L711 HydrophobicContact CD1-CD1 3.86Å; I429-L711 HydrophobicContact CG1-CD1 4.3Å; I429-L711 HydrophobicContact CG2-CD2 3.93Å; I691-L711 HydrophobicContact CD1-CD1 3.81Å; I699-L711 HydrophobicContact CG2-CB 4.24Å; I699-L711 HydrophobicContact CG2-CD1 4.46Å; I699-L711 PolarHBondContact O-N 3.08Å; Q701-L711 HydrophobicContact CB-CD1 3.81Å; Q701-L711 HydrophobicContact CB-CG 3.93Å; Q701-L711 HydrophobicContact CG-CD1 4.32Å; Q701-L711 HydrophobicContact CG-CD2 4.28Å; Q701-L711 HydrophobicContact CG-CG 3.9Å
712	M	93.2	Very high	92	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	129.6	178.2	-171.5	90.1	-59.3	0	0	110.5	W395 Y397 M698 I699	W395-M712 HydrophobicContact CZ2-CE 4.47Å; Y397-M712 HydrophobicContact CD1-CE 4.37Å; M698-M712 VanDerWaalsContact CA-O 3.26Å; M698-M712 WeakPolarHBondContact CA-O 3.39Å; I699-M712 HydrophobicContact CB-CB 4.05Å; I699-M712 HydrophobicContact CD1-CB 4.37Å; I699-M712 HydrophobicContact CG1-CB 4.37Å; I699-M712 PolarHBondContact N-O 2.94Å; I699-M712 PolarHBondContact O-N 2.69Å; I699-M712 VanDerWaalsContact O-N 3.09Å
713	F	91.1	Very high	92.2	Very high	37 Å²	37	32.3 Å²	32.3	16%	0.162	19%	0.186	C	C	.	.			trans	-95.7	159.1	167.4	-71.1	-94.8	0	0	0	110.6	G398 M698 P710 W743 A750	G398-F713 WeakPolarHBondContact CA-O 3.38Å; G398-F713 PolarHBondContact N-O 2.9Å; G398-F713 VanDerWaalsContact N-O 3.08Å; M698-F713 HydrophobicContact CE-CD1 3.99Å; M698-F713 HydrophobicContact CE-CE1 4.29Å; M698-F713 HydrophobicContact SD-CD1 4.16Å; M698-F713 HydrophobicContact SD-CE1 4.33Å; P710-F713 HydrophobicContact CB-CD2 4.28Å; P710-F713 HydrophobicContact CB-CE2 3.7Å; P710-F713 HydrophobicContact CB-CZ 3.85Å; P710-F713 HydrophobicContact CG-CE2 3.54Å; P710-F713 HydrophobicContact CG-CZ 3.52Å; F713-W743 HydrophobicContact CB-CH2 3.74Å; F713-W743 HydrophobicContact CB-CZ3 3.86Å; F713-A750 HydrophobicContact CB-CB 4.38Å; F713-A750 HydrophobicContact CD2-CB 3.67Å; F713-A750 HydrophobicContact CE2-CB 4.06Å; F713-A750 HydrophobicContact CG-CB 4.05Å
714	G	88.4	Confident	92.7	Very high	2 Å²	2	34.4 Å²	34.4	2%	0.021	19%	0.19	C	C	.	.			trans	-161.6	161.5	170.1	0	0	0	0	0	111
715	H	96.2	Very high	93.5	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	17%	0.168	C	C	.	.			trans	-70.1	154.5	163.7	-79.2	-73.8	0	0	0	109.8	N697 F719 T733 D737 T1025	N697-H715 WeakPolarHBondContact CB-O 3.09Å; N697-H715 PolarHBondContact ND2-O 2.91Å; H715-F719 HydrophobicContact CB-CD1 3.92Å; H715-F719 HydrophobicContact CB-CE1 4.29Å; H715-F719 HydrophobicContact CB-CG 4.18Å; H715-F719 AromaticContact CD2-CD2 3.53Å; H715-F719 AromaticContact CD2-CE2 3.73Å; H715-F719 AromaticContact CD2-CG 3.79Å; H715-F719 AromaticContact CG-CG 3.9Å; H715-F719 AromaticContact NE2-CD2 3.91Å; H715-T733 WeakPolarHBondContact NE2-CB 3.13Å; H715-T733 PolarHBondContact NE2-OG1 3.36Å; H715-D737 WeakPolarHBondContact CA-OD2 3.45Å; H715-D737 VanDerWaalsContact CB-OD2 3.24Å; H715-D737 WeakPolarHBondContact CB-OD2 3.37Å; H715-D737 IonicContact CE1-OD1 2.81Å; H715-D737 IonicContact CG-OD2 3.88Å; H715-D737 VanDerWaalsContact ND1-CG 3.3Å; H715-D737 IonicContact ND1-OD1 3.26Å; H715-D737 PolarHBondContact ND1-OD1 3.18Å; H715-D737 IonicContact ND1-OD2 2.79Å; H715-D737 PolarHBondContact ND1-OD2 2.87Å; H715-T1025 WeakPolarHBondContact O-CB 3.07Å
716	F	95.3	Very high	94	Very high	32 Å²	32	30.8 Å²	30.8	14%	0.14	15%	0.154	C	C	.	.			trans	-126.1	8.3	177.3	66.8	-93	0	0	0	114.1	R402 K696 N697 D737 L739	R402-F716 WeakPolarHBondContact CD-O 3.45Å; R402-F716 PolarHBondContact NH1-O 3.15Å; K696-F716 HydrophobicContact CB-CD1 3.78Å; K696-F716 HydrophobicContact CB-CE1 4.12Å; K696-F716 HydrophobicContact CB-CG 4.22Å; K696-F716 HydrophobicContact CD-CD1 4.41Å; K696-F716 HydrophobicContact CD-CE1 3.87Å; K696-F716 HydrophobicContact CD-CZ 4.17Å; K696-F716 HydrophobicContact CG-CD1 3.88Å; K696-F716 HydrophobicContact CG-CD2 4.47Å; K696-F716 HydrophobicContact CG-CE1 3.77Å; K696-F716 HydrophobicContact CG-CE2 4.39Å; K696-F716 HydrophobicContact CG-CG 4.24Å; K696-F716 HydrophobicContact CG-CZ 4.05Å; N697-F716 HydrophobicContact CB-CB 4.1Å; F716-D737 HydrophobicContact CD1-CB 3.94Å; F716-D737 HydrophobicContact CD2-CB 4.04Å; F716-D737 HydrophobicContact CE1-CB 3.71Å; F716-D737 HydrophobicContact CE2-CB 3.81Å; F716-D737 HydrophobicContact CG-CB 4.09Å; F716-D737 HydrophobicContact CZ-CB 3.63Å; F716-D737 PolarHBondContact N-OD2 2.97Å; F716-L739 HydrophobicContact CD1-CD1 4.25Å; F716-L739 HydrophobicContact CE1-CD1 3.91Å; F716-L739 HydrophobicContact CE1-CG 4.34Å
717	E	96.1	Very high	94.2	Very high	49 Å²	49	35.9 Å²	35.9	23%	0.229	18%	0.177	C	C	.	.	S	Bend	trans	-134	174.5	166.5	-73.5	-72	-179.2	0	0	110.5	R402 F719 R736 D737	R402-E717 VanDerWaalsContact CZ-CD 3.48Å; R402-E717 IonicContact CZ-OE1 3.29Å; R402-E717 IonicContact CZ-OE2 3.21Å; R402-E717 IonicContact NH1-OE1 3.91Å; R402-E717 PolarHBondContact NH1-OE1 3.37Å; R402-E717 IonicContact NH1-OE2 3.77Å; R402-E717 VanDerWaalsContact NH2-CD 3.28Å; R402-E717 IonicContact NH2-OE1 2.82Å; R402-E717 PolarHBondContact NH2-OE1 3.39Å; R402-E717 IonicContact NH2-OE2 3.23Å; R402-E717 PolarHBondContact NH2-OE2 2.89Å; E717-F719 PolarHBondContact O-N 3.33Å; E717-R736 HydrophobicContact CB-CB 3.98Å; E717-D737 HydrophobicContact CB-CB 3.83Å; E717-D737 HydrophobicContact CG-CB 3.92Å
718	E	96	Very high	94.4	Very high	24 Å²	24	29.4 Å²	29.4	11%	0.112	15%	0.152	C	C	.	.			trans	-57.9	129.2	171.4	-171.8	-175.3	138.5	0	0	112.1	W720 R736 K1023	E718-W720 PolarHBondContact OE1-NE1 3.45Å; E718-R736 VanDerWaalsContact CD-CZ 3.47Å; E718-R736 VanDerWaalsContact CD-NH2 3.27Å; E718-R736 WeakPolarHBondContact O-CB 3.44Å; E718-R736 WeakPolarHBondContact O-CG 3.34Å; E718-R736 PolarHBondContact O-N 2.88Å; E718-R736 IonicContact OE1-CZ 2.76Å; E718-R736 IonicContact OE1-NH1 3.45Å; E718-R736 PolarHBondContact OE1-NH1 3.32Å; E718-R736 IonicContact OE1-NH2 2.68Å; E718-R736 PolarHBondContact OE1-NH2 2.78Å; E718-R736 IonicContact OE2-CZ 3.51Å; E718-R736 IonicContact OE2-NH1 3.53Å; E718-R736 PolarHBondContact OE2-NH1 3.26Å; E718-R736 IonicContact OE2-NH2 2.7Å; E718-K1023 HydrophobicContact CB-CG 4Å; E718-K1023 HydrophobicContact CG-CG 3.68Å; E718-K1023 WeakPolarHBondContact OE2-CE 3.06Å; E718-K1023 WeakPolarHBondContact OE2-CG 3.49Å
719	F	97	Very high	94.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	147.3	-176.5	77.9	-72.1	0	0	0	113.2	H715 E717 T733 G735 T1006 T1020 G1022 A1026 V1027	H715-F719 HydrophobicContact CB-CD1 3.92Å; H715-F719 HydrophobicContact CB-CE1 4.29Å; H715-F719 HydrophobicContact CB-CG 4.18Å; H715-F719 AromaticContact CD2-CD2 3.53Å; H715-F719 AromaticContact CD2-CE2 3.73Å; H715-F719 AromaticContact CD2-CG 3.79Å; H715-F719 AromaticContact CG-CG 3.9Å; H715-F719 AromaticContact NE2-CD2 3.91Å; E717-F719 PolarHBondContact O-N 3.33Å; F719-T733 HydrophobicContact CE2-CG2 4.23Å; F719-G735 VanDerWaalsContact CB-CA 3.43Å; F719-T1006 PolarHBondContact O-OG1 3.08Å; F719-T1020 HydrophobicContact CD2-CG2 4.32Å; F719-T1020 HydrophobicContact CE2-CG2 3.4Å; F719-T1020 HydrophobicContact CZ-CG2 3.86Å; F719-G1022 WeakPolarHBondContact CD1-O 3.5Å; F719-G1022 VanDerWaalsContact O-CA 3.29Å; F719-G1022 WeakPolarHBondContact O-CA 3.24Å; F719-A1026 WeakPolarHBondContact CZ-O 3.44Å; F719-V1027 HydrophobicContact CE2-CG2 3.79Å; F719-V1027 HydrophobicContact CZ-CG2 3.62Å
720	W	97.2	Very high	94.8	Very high	54 Å²	54	28.8 Å²	28.8	21%	0.205	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	-21.1	-171.8	-74.4	76.8	0	0	0	113.1	E718 L722 H761 N961 T1006 N1007	E718-W720 PolarHBondContact OE1-NE1 3.45Å; W720-L722 PolarHBondContact O-N 3.27Å; W720-H761 CarbonylContact C-O 3.58Å; W720-H761 VanDerWaalsContact C-O 3.29Å; W720-H761 WeakPolarHBondContact CB-CE1 3.26Å; W720-H761 VanDerWaalsContact CB-NE2 3.31Å; W720-H761 WeakPolarHBondContact CB-NE2 3.49Å; W720-H761 AromaticContact CD1-CE1 3.48Å; W720-H761 VanDerWaalsContact CD1-CE1 3.48Å; W720-H761 AromaticContact CD1-NE2 3.38Å; W720-H761 AromaticContact CD2-NE2 2.89Å; W720-H761 AromaticContact CE2-NE2 3.47Å; W720-H761 AromaticContact CE3-NE2 3.36Å; W720-H761 AromaticContact CG-CE1 3.46Å; W720-H761 VanDerWaalsContact CG-CE1 3.46Å; W720-H761 AromaticContact CG-ND1 3.76Å; W720-H761 AromaticContact CG-NE2 2.87Å; W720-H761 AromaticContact NE1-NE2 3.67Å; W720-N961 HydrophobicContact CZ3-CB 4.39Å; W720-T1006 HydrophobicContact CD2-CG2 3.55Å; W720-T1006 VanDerWaalsContact CE2-CG2 3.44Å; W720-T1006 HydrophobicContact CE3-CG2 3.85Å; W720-T1006 HydrophobicContact CG-CG2 4.08Å; W720-T1006 HydrophobicContact CH2-CG2 3.95Å; W720-T1006 HydrophobicContact CZ2-CG2 3.67Å; W720-T1006 HydrophobicContact CZ3-CG2 4.04Å; W720-N1007 PolarHBondContact O-ND2 2.75Å
721	S	98.2	Very high	95.1	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	125.6	-177.5	-168.8	0	0	0	0	110.1	T733 G734 H761 C762 A763	S721-T733 VanDerWaalsContact O-CA 3.23Å; S721-T733 WeakPolarHBondContact O-CA 3.36Å; S721-G734 WeakPolarHBondContact CB-O 3.26Å; S721-G734 PolarHBondContact N-O 3.31Å; S721-G734 VanDerWaalsContact N-O 3.15Å; S721-G734 PolarHBondContact O-N 3.33Å; S721-G734 VanDerWaalsContact O-N 3.17Å; S721-H761 VanDerWaalsContact CA-O 3.24Å; S721-H761 WeakPolarHBondContact CA-O 3.35Å; S721-H761 WeakPolarHBondContact CB-O 3.36Å; S721-H761 PolarHBondContact N-O 3.4Å; S721-C762 WeakPolarHBondContact OG-CA 3.34Å; S721-A763 VanDerWaalsContact OG-CB 3.22Å; S721-A763 WeakPolarHBondContact OG-CB 3.49Å; S721-A763 PolarHBondContact OG-N 3.12Å; S721-A763 VanDerWaalsContact OG-N 3.14Å
722	L	98.5	Very high	95.4	Very high	12 Å²	12	27 Å²	27	6%	0.063	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	126.7	173.6	176.5	66.6	0	0	0	107.6	W720 F731 I732 T733 N1007 T1009 I1018 T1020	W720-L722 PolarHBondContact O-N 3.27Å; L722-F731 HydrophobicContact CD1-CD2 3.99Å; L722-I732 WeakPolarHBondContact CA-O 3.24Å; L722-T733 HydrophobicContact CD1-CG2 3.96Å; L722-N1007 HydrophobicContact CB-CB 3.94Å; L722-N1007 HydrophobicContact CD2-CB 3.99Å; L722-T1009 HydrophobicContact CD1-CG2 4.46Å; L722-T1009 HydrophobicContact CD2-CG2 3.8Å; L722-T1009 HydrophobicContact CG-CG2 3.93Å; L722-I1018 HydrophobicContact CD1-CB 4.36Å; L722-I1018 HydrophobicContact CD1-CG2 3.76Å; L722-I1018 HydrophobicContact CD2-CB 4.48Å; L722-I1018 HydrophobicContact CD2-CG2 4.34Å; L722-T1020 HydrophobicContact CB-CG2 4.21Å; L722-T1020 HydrophobicContact CD1-CG2 4.19Å; L722-T1020 HydrophobicContact CD2-CG2 4.15Å; L722-T1020 HydrophobicContact CG-CG2 4.41Å
723	A	98.3	Very high	95.6	Very high	9 Å²	9	27 Å²	27	7%	0.074	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	141.4	169.2	0	0	0	0	0	111.6	F731 I732 A763 F765	A723-F731 CarbonylContact O-C 3.53Å; A723-F731 VanDerWaalsContact O-CA 3.27Å; A723-F731 WeakPolarHBondContact O-CA 3.31Å; A723-F731 WeakPolarHBondContact O-CB 3.36Å; A723-I732 HydrophobicContact CB-CG2 3.88Å; A723-I732 PolarHBondContact N-O 2.81Å; A723-I732 PolarHBondContact O-N 3.15Å; A723-A763 HydrophobicContact CB-CB 4.2Å; A723-F765 HydrophobicContact CB-CD2 4.12Å; A723-F765 HydrophobicContact CB-CE2 4.34Å
724	K	96.4	Very high	95.9	Very high	61 Å²	61	25.2 Å²	25.2	27%	0.265	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	138.5	177.5	56.9	-170.5	167.8	-163	0	112	F765 D964 T1009 F1010 L1011	K724-F765 WeakPolarHBondContact O-CD2 3.32Å; K724-D964 IonicContact NZ-OD1 3.93Å; K724-D964 IonicContact NZ-OD2 2.79Å; K724-D964 PolarHBondContact NZ-OD2 2.82Å; K724-T1009 HydrophobicContact CB-CG2 4.12Å; K724-T1009 HydrophobicContact CD-CG2 4.4Å; K724-T1009 WeakPolarHBondContact CD-OG1 3.22Å; K724-T1009 WeakPolarHBondContact CE-OG1 3.28Å; K724-T1009 PolarHBondContact NZ-OG1 3.03Å; K724-F1010 WeakPolarHBondContact CD-O 3.3Å; K724-F1010 WeakPolarHBondContact CE-O 3.43Å; K724-F1010 PolarHBondContact NZ-O 3.07Å; K724-L1011 HydrophobicContact CB-CD2 4.41Å
725	H	95.5	Very high	96.3	Very high	25 Å²	25	25.1 Å²	25.1	12%	0.116	12%	0.124	C	C	.	.			trans	-65.3	136.3	170.2	-174.9	-93.4	0	0	0	109.8	Q727 A728 Q730 F765 L814	H725-Q727 VanDerWaalsContact C-N 3.3Å; H725-Q727 PolarHBondContact ND1-N 2.89Å; H725-Q727 PolarHBondContact O-N 3.19Å; H725-A728 VanDerWaalsContact ND1-CB 3.29Å; H725-A728 WeakPolarHBondContact ND1-CB 3.42Å; H725-A728 PolarHBondContact ND1-N 3.44Å; H725-Q730 HydrophobicContact CB-CB 3.73Å; H725-Q730 WeakPolarHBondContact CB-O 3.43Å; H725-Q730 PolarHBondContact N-O 2.84Å; H725-F765 HydrophobicContact CB-CE2 4.45Å; H725-L814 WeakPolarHBondContact NE2-CD1 3.26Å
726	P	92.5	Very high	96.3	Very high	45 Å²	45	29.9 Å²	29.9	29%	0.292	14%	0.142	S	C	.	.	S	Bend	trans	-74.5	-14.3	-168.5	27.6	-35.7	0	0	0	115	F765 P768	P726-F765 HydrophobicContact CG-CB 4.49Å; P726-P768 HydrophobicContact CB-CG 4.34Å
727	Q	90.9	Very high	96.3	Very high	125 Å²	125	28.7 Å²	28.7	58%	0.584	14%	0.137	S	C	*	.	S	Bend	trans	-141	10.5	-171.9	-61.4	-172.8	-52.6	0	0	114.9	H725 P768	H725-Q727 VanDerWaalsContact C-N 3.3Å; H725-Q727 PolarHBondContact ND1-N 2.89Å; H725-Q727 PolarHBondContact O-N 3.19Å; Q727-P768 HydrophobicContact CG-CB 4.33Å; Q727-P768 HydrophobicContact CG-CG 3.86Å
728	A	93.1	Very high	96.3	Very high	26 Å²	26	29.6 Å²	29.6	22%	0.215	14%	0.141	C	C	.	.	S	Bend	trans	-154.7	163.7	-176.8	0	0	0	0	0	110.8	H725 Q730 Y1012	H725-A728 VanDerWaalsContact ND1-CB 3.29Å; H725-A728 WeakPolarHBondContact ND1-CB 3.42Å; H725-A728 PolarHBondContact ND1-N 3.44Å; A728-Q730 PolarHBondContact O-N 3.31Å; A728-Y1012 VanDerWaalsContact CA-CE1 3.44Å; A728-Y1012 WeakPolarHBondContact O-CD1 3.09Å
729	H	95.8	Very high	96.3	Very high	33 Å²	33	29 Å²	29	15%	0.153	14%	0.138	C	C	.	.	S	Bend	trans	-73	43.5	179	-58.5	89.9	0	0	0	113.5	S745 L746 L1011 Y1012 D1013	H729-S745 WeakPolarHBondContact O-CA 3.39Å; H729-S745 WeakPolarHBondContact O-CB 3.44Å; H729-S745 PolarHBondContact O-N 3.36Å; H729-L746 HydrophobicContact CB-CD1 4.12Å; H729-L746 HydrophobicContact CB-CD2 4.16Å; H729-L746 HydrophobicContact CB-CG 3.69Å; H729-L1011 HydrophobicContact CB-CD1 4.45Å; H729-Y1012 AromaticContact CD2-CE1 3.89Å; H729-Y1012 AromaticContact CE1-CE1 3.58Å; H729-Y1012 AromaticContact CE1-CZ 3.81Å; H729-Y1012 PolarHBondContact CE1-OH 2.75Å; H729-Y1012 AromaticContact CG-CE1 3.92Å; H729-Y1012 AromaticContact ND1-CE1 3.73Å; H729-Y1012 AromaticContact NE2-CE1 3.67Å; H729-D1013 IonicContact CD2-OD2 3.98Å; H729-D1013 IonicContact CE1-OD2 2.75Å; H729-D1013 IonicContact NE2-OD1 3.43Å; H729-D1013 IonicContact NE2-OD2 2.81Å; H729-D1013 PolarHBondContact NE2-OD2 3.37Å
730	Q	97	Very high	96.3	Very high	29 Å²	29	29 Å²	29	14%	0.136	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	153.7	179.5	-66.6	175.9	11.1	0	0	110.5	H725 A728 W743 I751	H725-Q730 HydrophobicContact CB-CB 3.73Å; H725-Q730 WeakPolarHBondContact CB-O 3.43Å; H725-Q730 PolarHBondContact N-O 2.84Å; A728-Q730 PolarHBondContact O-N 3.31Å; Q730-W743 VanDerWaalsContact CA-O 3.24Å; Q730-W743 WeakPolarHBondContact CA-O 3.45Å; Q730-W743 WeakPolarHBondContact CB-O 3.38Å; Q730-I751 VanDerWaalsContact CD-CD1 3.41Å; Q730-I751 HydrophobicContact CG-CD1 3.93Å
731	F	98	Very high	96.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	157	173.4	62.5	-88.2	0	0	0	109.9	Y397 L722 A723 T733 W743 L1011 I1018 V1027	Y397-F731 HydrophobicContact CD2-CZ 4.32Å; Y397-F731 HydrophobicContact CE2-CE1 4.3Å; Y397-F731 AromaticContact CE2-CZ 3.71Å; Y397-F731 HydrophobicContact CE2-CZ 3.71Å; Y397-F731 AromaticContact CZ-CZ 3.88Å; L722-F731 HydrophobicContact CD1-CD2 3.99Å; A723-F731 CarbonylContact O-C 3.53Å; A723-F731 VanDerWaalsContact O-CA 3.27Å; A723-F731 WeakPolarHBondContact O-CA 3.31Å; A723-F731 WeakPolarHBondContact O-CB 3.36Å; F731-T733 HydrophobicContact CD2-CG2 4.16Å; F731-T733 HydrophobicContact CE2-CG2 4.21Å; F731-W743 HydrophobicContact CD1-CB 4.21Å; F731-W743 HydrophobicContact CD2-CB 4.09Å; F731-W743 AromaticContact CD2-CD1 3.58Å; F731-W743 HydrophobicContact CD2-CG 4.09Å; F731-W743 HydrophobicContact CE1-CB 3.8Å; F731-W743 HydrophobicContact CE1-CG 4.5Å; F731-W743 HydrophobicContact CE2-CB 3.66Å; F731-W743 AromaticContact CE2-CD1 3.24Å; F731-W743 HydrophobicContact CE2-CD2 4.35Å; F731-W743 AromaticContact CE2-CG 3.49Å; F731-W743 HydrophobicContact CE2-CG 3.49Å; F731-W743 VanDerWaalsContact CE2-CG 3.49Å; F731-W743 AromaticContact CE2-NE1 3.92Å; F731-W743 HydrophobicContact CG-CB 4.35Å; F731-W743 HydrophobicContact CZ-CB 3.5Å; F731-W743 AromaticContact CZ-CD1 3.98Å; F731-W743 AromaticContact CZ-CG 3.74Å; F731-W743 HydrophobicContact CZ-CG 3.74Å; F731-W743 PolarHBondContact N-O 2.7Å; F731-W743 VanDerWaalsContact N-O 3.15Å; F731-W743 PolarHBondContact O-N 2.76Å; F731-L1011 HydrophobicContact CB-CD2 4.28Å; F731-L1011 HydrophobicContact CD1-CD2 4.27Å; F731-I1018 HydrophobicContact CD1-CD1 3.84Å; F731-I1018 HydrophobicContact CD1-CG1 3.82Å; F731-I1018 HydrophobicContact CD2-CG2 4.07Å; F731-I1018 HydrophobicContact CE1-CD1 3.56Å; F731-I1018 HydrophobicContact CE1-CG1 4.02Å; F731-I1018 HydrophobicContact CE2-CG2 3.94Å; F731-I1018 HydrophobicContact CG-CG1 4.1Å; F731-I1018 HydrophobicContact CG-CG2 4.44Å; F731-I1018 HydrophobicContact CZ-CD1 4.07Å; F731-I1018 HydrophobicContact CZ-CG1 4.47Å; F731-I1018 HydrophobicContact CZ-CG2 4.2Å; F731-V1027 HydrophobicContact CE2-CG1 3.95Å; F731-V1027 HydrophobicContact CZ-CG1 4.29Å
732	I	98.1	Very high	96.2	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.7	-178.4	-161.2	169.6	0	0	0	109.5	L722 A723 V740 I741 L742 W752 A763 F765 V816	L722-I732 WeakPolarHBondContact CA-O 3.24Å; A723-I732 HydrophobicContact CB-CG2 3.88Å; A723-I732 PolarHBondContact N-O 2.81Å; A723-I732 PolarHBondContact O-N 3.15Å; I732-V740 HydrophobicContact CD1-CG1 3.56Å; I732-V740 HydrophobicContact CG1-CG1 3.64Å; I732-I741 WeakPolarHBondContact CA-O 3.25Å; I732-I741 WeakPolarHBondContact CG1-O 3.37Å; I732-L742 HydrophobicContact CB-CD1 4.09Å; I732-L742 HydrophobicContact CG1-CD1 4.39Å; I732-W752 HydrophobicContact CD1-CH2 3.92Å; I732-W752 HydrophobicContact CD1-CZ2 4.38Å; I732-A763 HydrophobicContact CG2-CB 4.4Å; I732-F765 HydrophobicContact CB-CE2 4.01Å; I732-F765 HydrophobicContact CB-CZ 3.88Å; I732-F765 HydrophobicContact CD1-CZ 4.39Å; I732-F765 HydrophobicContact CG2-CD2 4.39Å; I732-F765 HydrophobicContact CG2-CE2 3.51Å; I732-F765 HydrophobicContact CG2-CZ 3.78Å; I732-V816 HydrophobicContact CD1-CG1 4.1Å; I732-V816 HydrophobicContact CD1-CG2 4.33Å; I732-V816 HydrophobicContact CG2-CG2 4.33Å
733	T	98.6	Very high	96.1	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	158.1	173.5	61.6	0	0	0	0	111.4	H715 F719 S721 L722 F731 V740 I741 W743 T1020 V1027	H715-T733 WeakPolarHBondContact NE2-CB 3.13Å; H715-T733 PolarHBondContact NE2-OG1 3.36Å; F719-T733 HydrophobicContact CE2-CG2 4.23Å; S721-T733 VanDerWaalsContact O-CA 3.23Å; S721-T733 WeakPolarHBondContact O-CA 3.36Å; L722-T733 HydrophobicContact CD1-CG2 3.96Å; F731-T733 HydrophobicContact CD2-CG2 4.16Å; F731-T733 HydrophobicContact CE2-CG2 4.21Å; T733-V740 VanDerWaalsContact O-CA 3.31Å; T733-V740 WeakPolarHBondContact O-CA 3.13Å; T733-I741 PolarHBondContact N-O 2.95Å; T733-I741 PolarHBondContact O-N 2.92Å; T733-W743 PolarHBondContact OG1-NE1 2.69Å; T733-T1020 HydrophobicContact CG2-CG2 4.4Å; T733-V1027 HydrophobicContact CG2-CG2 4.19Å
734	G	97.5	Very high	96	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	146.8	177	0	0	0	0	0	113.5	S721 L739 I760	S721-G734 WeakPolarHBondContact CB-O 3.26Å; S721-G734 PolarHBondContact N-O 3.31Å; S721-G734 VanDerWaalsContact N-O 3.15Å; S721-G734 PolarHBondContact O-N 3.33Å; S721-G734 VanDerWaalsContact O-N 3.17Å; G734-L739 VanDerWaalsContact CA-O 3.28Å; G734-L739 WeakPolarHBondContact CA-O 3.19Å; G734-I760 CarbonylContact C-O 3.55Å
735	G	96.6	Very high	96	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	-172	-168.4	0	0	0	0	0	117	F719 D737 H738 L739 I760	F719-G735 VanDerWaalsContact CB-CA 3.43Å; G735-D737 PolarHBondContact O-N 2.76Å; G735-H738 PolarHBondContact O-N 2.93Å; G735-L739 PolarHBondContact N-O 2.79Å; G735-I760 CarbonylContact C-O 3.55Å; G735-I760 WeakPolarHBondContact CA-O 3.29Å; G735-I760 PolarHBondContact N-O 2.89Å; G735-I760 PolarHBondContact O-N 3.49Å; G735-I760 VanDerWaalsContact O-N 3.15Å
736	R	96.9	Very high	96	Very high	101 Å²	101	27.4 Å²	27.4	38%	0.381	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-5.6	175.1	-66.1	-168.9	-164.8	128.5	17.1	114.4	E717 E718 H738 A759	E717-R736 HydrophobicContact CB-CB 3.98Å; E718-R736 VanDerWaalsContact CD-CZ 3.47Å; E718-R736 VanDerWaalsContact CD-NH2 3.27Å; E718-R736 WeakPolarHBondContact O-CB 3.44Å; E718-R736 WeakPolarHBondContact O-CG 3.34Å; E718-R736 PolarHBondContact O-N 2.88Å; E718-R736 IonicContact OE1-CZ 2.76Å; E718-R736 IonicContact OE1-NH1 3.45Å; E718-R736 PolarHBondContact OE1-NH1 3.32Å; E718-R736 IonicContact OE1-NH2 2.68Å; E718-R736 PolarHBondContact OE1-NH2 2.78Å; E718-R736 IonicContact OE2-CZ 3.51Å; E718-R736 IonicContact OE2-NH1 3.53Å; E718-R736 PolarHBondContact OE2-NH1 3.26Å; E718-R736 IonicContact OE2-NH2 2.7Å; R736-H738 PolarHBondContact O-CD2 3.33Å; R736-H738 VanDerWaalsContact O-CD2 3.31Å; R736-H738 PolarHBondContact O-N 2.77Å; R736-A759 HydrophobicContact CB-CB 4.39Å; R736-A759 HydrophobicContact CG-CB 4.22Å
737	D	95	Very high	96	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.032	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	8.7	168.7	52.4	8.8	0	0	0	112.2	H715 F716 E717 G735 L739	H715-D737 WeakPolarHBondContact CA-OD2 3.45Å; H715-D737 VanDerWaalsContact CB-OD2 3.24Å; H715-D737 WeakPolarHBondContact CB-OD2 3.37Å; H715-D737 IonicContact CE1-OD1 2.81Å; H715-D737 IonicContact CG-OD2 3.88Å; H715-D737 VanDerWaalsContact ND1-CG 3.3Å; H715-D737 IonicContact ND1-OD1 3.26Å; H715-D737 PolarHBondContact ND1-OD1 3.18Å; H715-D737 IonicContact ND1-OD2 2.79Å; H715-D737 PolarHBondContact ND1-OD2 2.87Å; F716-D737 HydrophobicContact CD1-CB 3.94Å; F716-D737 HydrophobicContact CD2-CB 4.04Å; F716-D737 HydrophobicContact CE1-CB 3.71Å; F716-D737 HydrophobicContact CE2-CB 3.81Å; F716-D737 HydrophobicContact CG-CB 4.09Å; F716-D737 HydrophobicContact CZ-CB 3.63Å; F716-D737 PolarHBondContact N-OD2 2.97Å; E717-D737 HydrophobicContact CB-CB 3.83Å; E717-D737 HydrophobicContact CG-CB 3.92Å; G735-D737 PolarHBondContact O-N 2.76Å; D737-L739 PolarHBondContact O-N 2.99Å; D737-L739 PolarHBondContact OD1-N 2.69Å
738	H	95.6	Very high	96.2	Very high	69 Å²	69	23.1 Å²	23.1	32%	0.319	12%	0.119	S	C	.	.	S	Bend	trans	62.9	4.2	-179.3	-60.8	-108.8	0	0	0	114.3	G735 R736 E755 F756 T757	G735-H738 PolarHBondContact O-N 2.93Å; R736-H738 PolarHBondContact O-CD2 3.33Å; R736-H738 VanDerWaalsContact O-CD2 3.31Å; R736-H738 PolarHBondContact O-N 2.77Å; H738-E755 HydrophobicContact CB-CG 4.17Å; H738-E755 CarbonylContact O-C 3.26Å; H738-E755 WeakPolarHBondContact O-CA 3.44Å; H738-F756 WeakPolarHBondContact CB-O 3.45Å; H738-F756 PolarHBondContact ND1-O 3.23Å; H738-F756 PolarHBondContact O-N 3.04Å; H738-T757 PolarHBondContact CE1-O 2.82Å; H738-T757 PolarHBondContact ND1-O 2.89Å
739	L	95.3	Very high	96.1	Very high	10 Å²	10	24.4 Å²	24.4	5%	0.052	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	142.3	176.6	-62.5	-175.2	0	0	0	110.9	F716 G734 G735 D737 I741 K754 E755	F716-L739 HydrophobicContact CD1-CD1 4.25Å; F716-L739 HydrophobicContact CE1-CD1 3.91Å; F716-L739 HydrophobicContact CE1-CG 4.34Å; G734-L739 VanDerWaalsContact CA-O 3.28Å; G734-L739 WeakPolarHBondContact CA-O 3.19Å; G735-L739 PolarHBondContact N-O 2.79Å; D737-L739 PolarHBondContact O-N 2.99Å; D737-L739 PolarHBondContact OD1-N 2.69Å; L739-I741 HydrophobicContact CB-CG1 4.27Å; L739-I741 HydrophobicContact CD1-CD1 4.32Å; L739-K754 WeakPolarHBondContact CA-O 3.26Å; L739-E755 HydrophobicContact CD2-CB 4.13Å; L739-E755 HydrophobicContact CD2-CG 4.29Å
740	V	96.8	Very high	96	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130	157.9	-179.5	0	0	0	0	107.2	I732 T733 W752 S753 K754 F756 I760 L818	I732-V740 HydrophobicContact CD1-CG1 3.56Å; I732-V740 HydrophobicContact CG1-CG1 3.64Å; T733-V740 VanDerWaalsContact O-CA 3.31Å; T733-V740 WeakPolarHBondContact O-CA 3.13Å; V740-W752 HydrophobicContact CB-CZ3 4.28Å; V740-W752 HydrophobicContact CG1-CH2 4Å; V740-W752 HydrophobicContact CG1-CZ3 3.97Å; V740-W752 WeakPolarHBondContact O-CZ3 3.27Å; V740-S753 WeakPolarHBondContact O-CA 3.49Å; V740-K754 PolarHBondContact N-O 3.33Å; V740-K754 PolarHBondContact O-N 3.13Å; V740-F756 HydrophobicContact CB-CD2 4.12Å; V740-F756 HydrophobicContact CB-CE2 3.78Å; V740-F756 HydrophobicContact CG2-CD2 3.59Å; V740-F756 HydrophobicContact CG2-CE2 3.56Å; V740-F756 HydrophobicContact CG2-CG 4.5Å; V740-F756 HydrophobicContact CG2-CZ 4.44Å; V740-I760 HydrophobicContact CG2-CB 4.33Å; V740-I760 HydrophobicContact CG2-CG1 3.63Å; V740-I760 HydrophobicContact CG2-CG2 4.49Å; V740-L818 HydrophobicContact CG1-CD2 4.47Å; V740-L818 HydrophobicContact CG2-CD1 4.16Å
741	I	96.3	Very high	95.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.3	-176.1	-48.5	177.7	0	0	0	108.5	I732 T733 L739 W743 A750 W752	I732-I741 WeakPolarHBondContact CA-O 3.25Å; I732-I741 WeakPolarHBondContact CG1-O 3.37Å; T733-I741 PolarHBondContact N-O 2.95Å; T733-I741 PolarHBondContact O-N 2.92Å; L739-I741 HydrophobicContact CB-CG1 4.27Å; L739-I741 HydrophobicContact CD1-CD1 4.32Å; I741-W743 HydrophobicContact CB-CZ2 3.87Å; I741-W743 HydrophobicContact CD1-CH2 4.16Å; I741-W743 HydrophobicContact CD1-CZ2 3.71Å; I741-W743 HydrophobicContact CG1-CZ2 4.38Å; I741-W743 HydrophobicContact CG2-CD2 3.79Å; I741-W743 VanDerWaalsContact CG2-CE2 3.43Å; I741-W743 HydrophobicContact CG2-CE3 4.16Å; I741-W743 HydrophobicContact CG2-CG 4.38Å; I741-W743 HydrophobicContact CG2-CH2 4Å; I741-W743 HydrophobicContact CG2-CZ2 3.58Å; I741-W743 HydrophobicContact CG2-CZ3 4.25Å; I741-W743 PolarHBondContact O-NE1 2.84Å; I741-A750 HydrophobicContact CG2-CB 3.79Å; I741-W752 WeakPolarHBondContact CA-O 3.39Å; I741-W752 WeakPolarHBondContact CG2-O 3.45Å
742	L	96.8	Very high	95.5	Very high	5 Å²	5	24.3 Å²	24.3	3%	0.026	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.7	170.8	-177.1	70.8	0	0	0	108.7	I732 A750 I751 W752 F765	I732-L742 HydrophobicContact CB-CD1 4.09Å; I732-L742 HydrophobicContact CG1-CD1 4.39Å; L742-A750 CarbonylContact O-C 3.53Å; L742-I751 HydrophobicContact CD2-CB 4.28Å; L742-I751 HydrophobicContact CD2-CD1 4.04Å; L742-I751 HydrophobicContact CD2-CG2 4.37Å; L742-I751 HydrophobicContact CG-CB 4.39Å; L742-I751 HydrophobicContact CG-CD1 4.16Å; L742-I751 PolarHBondContact O-N 2.92Å; L742-W752 HydrophobicContact CB-CD2 3.92Å; L742-W752 HydrophobicContact CB-CE3 4.4Å; L742-W752 HydrophobicContact CB-CG 4.4Å; L742-W752 HydrophobicContact CB-CH2 4.21Å; L742-W752 HydrophobicContact CB-CZ2 3.72Å; L742-W752 HydrophobicContact CD2-CZ2 4.18Å; L742-W752 HydrophobicContact CG-CZ2 4.5Å; L742-W752 PolarHBondContact N-O 2.92Å; L742-F765 HydrophobicContact CD1-CZ 3.92Å
743	W	97	Very high	95.2	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.008	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	146.2	-174.6	-51.6	91.8	0	0	0	111.3	Y397 F713 Q730 F731 T733 I741 A750	Y397-W743 HydrophobicContact CD1-CD2 4.18Å; Y397-W743 AromaticContact CD1-CE3 3.36Å; Y397-W743 HydrophobicContact CD1-CE3 3.36Å; Y397-W743 HydrophobicContact CD1-CH2 4.22Å; Y397-W743 AromaticContact CD1-CZ3 3.39Å; Y397-W743 HydrophobicContact CD1-CZ3 3.39Å; Y397-W743 HydrophobicContact CE1-CD2 4.31Å; Y397-W743 AromaticContact CE1-CE3 3.59Å; Y397-W743 HydrophobicContact CE1-CE3 3.59Å; Y397-W743 HydrophobicContact CE1-CZ3 4.1Å; Y397-W743 HydrophobicContact CG-CE3 4.17Å; Y397-W743 HydrophobicContact CG-CH2 4.48Å; Y397-W743 HydrophobicContact CG-CZ3 4.07Å; F713-W743 HydrophobicContact CB-CH2 3.74Å; F713-W743 HydrophobicContact CB-CZ3 3.86Å; Q730-W743 VanDerWaalsContact CA-O 3.24Å; Q730-W743 WeakPolarHBondContact CA-O 3.45Å; Q730-W743 WeakPolarHBondContact CB-O 3.38Å; F731-W743 HydrophobicContact CD1-CB 4.21Å; F731-W743 HydrophobicContact CD2-CB 4.09Å; F731-W743 AromaticContact CD2-CD1 3.58Å; F731-W743 HydrophobicContact CD2-CG 4.09Å; F731-W743 HydrophobicContact CE1-CB 3.8Å; F731-W743 HydrophobicContact CE1-CG 4.5Å; F731-W743 HydrophobicContact CE2-CB 3.66Å; F731-W743 AromaticContact CE2-CD1 3.24Å; F731-W743 HydrophobicContact CE2-CD2 4.35Å; F731-W743 AromaticContact CE2-CG 3.49Å; F731-W743 HydrophobicContact CE2-CG 3.49Å; F731-W743 VanDerWaalsContact CE2-CG 3.49Å; F731-W743 AromaticContact CE2-NE1 3.92Å; F731-W743 HydrophobicContact CG-CB 4.35Å; F731-W743 HydrophobicContact CZ-CB 3.5Å; F731-W743 AromaticContact CZ-CD1 3.98Å; F731-W743 AromaticContact CZ-CG 3.74Å; F731-W743 HydrophobicContact CZ-CG 3.74Å; F731-W743 PolarHBondContact N-O 2.7Å; F731-W743 VanDerWaalsContact N-O 3.15Å; F731-W743 PolarHBondContact O-N 2.76Å; T733-W743 PolarHBondContact OG1-NE1 2.69Å; I741-W743 HydrophobicContact CB-CZ2 3.87Å; I741-W743 HydrophobicContact CD1-CH2 4.16Å; I741-W743 HydrophobicContact CD1-CZ2 3.71Å; I741-W743 HydrophobicContact CG1-CZ2 4.38Å; I741-W743 HydrophobicContact CG2-CD2 3.79Å; I741-W743 VanDerWaalsContact CG2-CE2 3.43Å; I741-W743 HydrophobicContact CG2-CE3 4.16Å; I741-W743 HydrophobicContact CG2-CG 4.38Å; I741-W743 HydrophobicContact CG2-CH2 4Å; I741-W743 HydrophobicContact CG2-CZ2 3.58Å; I741-W743 HydrophobicContact CG2-CZ3 4.25Å; I741-W743 PolarHBondContact O-NE1 2.84Å; W743-A750 HydrophobicContact CE3-CB 3.83Å; W743-A750 HydrophobicContact CZ3-CB 3.92Å
744	D	95.9	Very high	95	Very high	24 Å²	24	28.1 Å²	28.1	13%	0.128	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.5	162.9	-178.9	51.2	0	0	0	110.6	Y397 L746 S747 K748 Q749 I751	Y397-D744 PolarHBondContact OH-O 2.89Å; Y397-D744 VanDerWaalsContact OH-O 3.07Å; D744-L746 PolarHBondContact OD2-N 3.28Å; D744-S747 WeakPolarHBondContact CB-OG 3.36Å; D744-S747 WeakPolarHBondContact OD2-CB 3.42Å; D744-S747 PolarHBondContact OD2-N 3.27Å; D744-S747 PolarHBondContact OD2-OG 2.92Å; D744-K748 WeakPolarHBondContact O-CA 3.3Å; D744-K748 PolarHBondContact O-N 3.24Å; D744-Q749 PolarHBondContact N-O 2.88Å; D744-I751 HydrophobicContact CB-CD1 4.12Å; D744-I751 HydrophobicContact CB-CG1 4.1Å
745	S	96.2	Very high	94.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-19.8	-176.6	-173.9	0	0	0	0	112.7	H729 K748 L1011 Q1029	H729-S745 WeakPolarHBondContact O-CA 3.39Å; H729-S745 WeakPolarHBondContact O-CB 3.44Å; H729-S745 PolarHBondContact O-N 3.36Å; S745-K748 WeakPolarHBondContact O-CD 3.48Å; S745-K748 WeakPolarHBondContact O-CE 3.3Å; S745-K748 PolarHBondContact O-NZ 3.31Å; S745-L1011 WeakPolarHBondContact OG-CD1 3.21Å; S745-Q1029 PolarHBondContact O-NE2 2.96Å; S745-Q1029 PolarHBondContact OG-NE2 3.34Å; S745-Q1029 PolarHBondContact OG-OE1 3.18Å
746	L	95.5	Very high	94.7	Very high	98 Å²	98	34.6 Å²	34.6	51%	0.513	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-60.6	176.9	-62.8	-179.1	0	0	0	111	H729 D744 K748	H729-L746 HydrophobicContact CB-CD1 4.12Å; H729-L746 HydrophobicContact CB-CD2 4.16Å; H729-L746 HydrophobicContact CB-CG 3.69Å; D744-L746 PolarHBondContact OD2-N 3.28Å; L746-K748 VanDerWaalsContact C-N 3.26Å; L746-K748 PolarHBondContact O-N 3.11Å; L746-K748 PolarHBondContact O-NZ 2.89Å
747	S	93.9	Very high	94.6	Very high	61 Å²	61	34.9 Å²	34.9	43%	0.427	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-11.2	179.2	65.2	0	0	0	0	114.7	D744 Q749	D744-S747 WeakPolarHBondContact CB-OG 3.36Å; D744-S747 WeakPolarHBondContact OD2-CB 3.42Å; D744-S747 PolarHBondContact OD2-N 3.27Å; D744-S747 PolarHBondContact OD2-OG 2.92Å; S747-Q749 VanDerWaalsContact C-N 3.26Å; S747-Q749 PolarHBondContact O-N 2.84Å
748	K	94.6	Very high	94.5	Very high	19 Å²	19	35.7 Å²	35.7	8%	0.083	19%	0.19	C	C	.	.			trans	66	20.9	178.9	-47.7	-62.5	-173.1	-78.7	0	115	E394 W395 Y397 D744 S745 L746 Q1029	E394-K748 WeakPolarHBondContact OE1-CE 3.41Å; E394-K748 IonicContact OE1-NZ 3.58Å; E394-K748 PolarHBondContact OE1-NZ 3.04Å; E394-K748 IonicContact OE2-NZ 3.32Å; W395-K748 HydrophobicContact CB-CD 3.81Å; W395-K748 HydrophobicContact CD2-CB 3.73Å; W395-K748 HydrophobicContact CD2-CD 3.87Å; W395-K748 HydrophobicContact CD2-CG 3.67Å; W395-K748 VanDerWaalsContact CE2-CB 3.47Å; W395-K748 HydrophobicContact CE3-CB 4.2Å; W395-K748 HydrophobicContact CE3-CD 4.17Å; W395-K748 HydrophobicContact CE3-CG 3.76Å; W395-K748 HydrophobicContact CG-CB 4.13Å; W395-K748 HydrophobicContact CG-CD 3.72Å; W395-K748 HydrophobicContact CG-CG 4.06Å; W395-K748 HydrophobicContact CH2-CB 4.16Å; W395-K748 HydrophobicContact CH2-CG 4.36Å; W395-K748 HydrophobicContact CZ2-CB 3.72Å; W395-K748 HydrophobicContact CZ2-CG 4.32Å; W395-K748 HydrophobicContact CZ3-CB 4.38Å; W395-K748 HydrophobicContact CZ3-CG 4.09Å; Y397-K748 VanDerWaalsContact CE1-O 3.25Å; Y397-K748 WeakPolarHBondContact CE1-O 3.34Å; D744-K748 WeakPolarHBondContact O-CA 3.3Å; D744-K748 PolarHBondContact O-N 3.24Å; S745-K748 WeakPolarHBondContact O-CD 3.48Å; S745-K748 WeakPolarHBondContact O-CE 3.3Å; S745-K748 PolarHBondContact O-NZ 3.31Å; L746-K748 VanDerWaalsContact C-N 3.26Å; L746-K748 PolarHBondContact O-N 3.11Å; L746-K748 PolarHBondContact O-NZ 2.89Å; K748-Q1029 VanDerWaalsContact CE-NE2 3.25Å
749	Q	91.7	Very high	94.6	Very high	53 Å²	53	33 Å²	33	25%	0.248	18%	0.179	C	C	.	.	S	Bend	trans	-109.8	160.1	-177.6	-62.9	-58	-25.3	0	0	112.9	D744 S747	D744-Q749 PolarHBondContact N-O 2.88Å; S747-Q749 VanDerWaalsContact C-N 3.26Å; S747-Q749 PolarHBondContact O-N 2.84Å
750	A	92.5	Very high	94.7	Very high	18 Å²	18	32.6 Å²	32.6	15%	0.149	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	129.1	163.1	0	0	0	0	0	109.1	F713 I741 L742 W743	F713-A750 HydrophobicContact CB-CB 4.38Å; F713-A750 HydrophobicContact CD2-CB 3.67Å; F713-A750 HydrophobicContact CE2-CB 4.06Å; F713-A750 HydrophobicContact CG-CB 4.05Å; I741-A750 HydrophobicContact CG2-CB 3.79Å; L742-A750 CarbonylContact O-C 3.53Å; W743-A750 HydrophobicContact CE3-CB 3.83Å; W743-A750 HydrophobicContact CZ3-CB 3.92Å
751	I	92.7	Very high	94.8	Very high	28 Å²	28	33.3 Å²	33.3	14%	0.144	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-43.3	173.1	-58.7	176.4	0	0	0	109.4	M173 Q730 L742 D744	M173-I751 HydrophobicContact CE-CG2 3.75Å; Q730-I751 VanDerWaalsContact CD-CD1 3.41Å; Q730-I751 HydrophobicContact CG-CD1 3.93Å; L742-I751 HydrophobicContact CD2-CB 4.28Å; L742-I751 HydrophobicContact CD2-CD1 4.04Å; L742-I751 HydrophobicContact CD2-CG2 4.37Å; L742-I751 HydrophobicContact CG-CB 4.39Å; L742-I751 HydrophobicContact CG-CD1 4.16Å; L742-I751 PolarHBondContact O-N 2.92Å; D744-I751 HydrophobicContact CB-CD1 4.12Å; D744-I751 HydrophobicContact CB-CG1 4.1Å
752	W	92.5	Very high	94.8	Very high	13 Å²	13	33.8 Å²	33.8	5%	0.049	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	160	170.1	54	-106.8	0	0	0	111.6	I732 V740 I741 L742 K754 F828 C830	I732-W752 HydrophobicContact CD1-CH2 3.92Å; I732-W752 HydrophobicContact CD1-CZ2 4.38Å; V740-W752 HydrophobicContact CB-CZ3 4.28Å; V740-W752 HydrophobicContact CG1-CH2 4Å; V740-W752 HydrophobicContact CG1-CZ3 3.97Å; V740-W752 WeakPolarHBondContact O-CZ3 3.27Å; I741-W752 WeakPolarHBondContact CA-O 3.39Å; I741-W752 WeakPolarHBondContact CG2-O 3.45Å; L742-W752 HydrophobicContact CB-CD2 3.92Å; L742-W752 HydrophobicContact CB-CE3 4.4Å; L742-W752 HydrophobicContact CB-CG 4.4Å; L742-W752 HydrophobicContact CB-CH2 4.21Å; L742-W752 HydrophobicContact CB-CZ2 3.72Å; L742-W752 HydrophobicContact CD2-CZ2 4.18Å; L742-W752 HydrophobicContact CG-CZ2 4.5Å; L742-W752 PolarHBondContact N-O 2.92Å; W752-K754 HydrophobicContact CE3-CB 3.93Å; W752-K754 HydrophobicContact CZ3-CB 3.8Å; W752-F828 HydrophobicContact CH2-CD1 4.09Å; W752-F828 AromaticContact CH2-CE1 3.49Å; W752-F828 HydrophobicContact CH2-CE1 3.49Å; W752-F828 VanDerWaalsContact CH2-CE1 3.49Å; W752-F828 HydrophobicContact CH2-CZ 4.38Å; W752-F828 HydrophobicContact CZ2-CD1 4.34Å; W752-F828 AromaticContact CZ2-CE1 3.68Å; W752-F828 HydrophobicContact CZ2-CE1 3.68Å; W752-F828 HydrophobicContact CZ3-CE1 4.17Å; W752-C830 HydrophobicContact CZ2-CB 3.93Å; W752-C830 PolarHBondContact NE1-O 3.23Å
753	S	91.6	Very high	94.9	Very high	24 Å²	24	34.1 Å²	34.1	17%	0.168	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.2	169.2	178.1	0	0	0	0	109.4	V740	V740-S753 WeakPolarHBondContact O-CA 3.49Å
754	K	93.5	Very high	95	Very high	59 Å²	59	34.8 Å²	34.8	26%	0.257	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	129.7	-175.3	-168.9	77	167.7	-155.8	0	110.3	L739 V740 W752 F756 F828 Q833	L739-K754 WeakPolarHBondContact CA-O 3.26Å; V740-K754 PolarHBondContact N-O 3.33Å; V740-K754 PolarHBondContact O-N 3.13Å; W752-K754 HydrophobicContact CE3-CB 3.93Å; W752-K754 HydrophobicContact CZ3-CB 3.8Å; K754-F756 HydrophobicContact CB-CD2 4.5Å; K754-F756 HydrophobicContact CB-CE2 3.91Å; K754-F756 HydrophobicContact CG-CD2 4.27Å; K754-F756 HydrophobicContact CG-CE2 3.68Å; K754-F756 HydrophobicContact CG-CZ 4.24Å; K754-F828 HydrophobicContact CG-CZ 4.19Å; K754-Q833 PolarHBondContact NZ-O 3.09Å
755	E	93.7	Very high	95	Very high	114 Å²	114	34.4 Å²	34.4	53%	0.533	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	137.3	176.5	-161.8	170.3	149.2	0	0	110.6	H738 L739	H738-E755 HydrophobicContact CB-CG 4.17Å; H738-E755 CarbonylContact O-C 3.26Å; H738-E755 WeakPolarHBondContact O-CA 3.44Å; L739-E755 HydrophobicContact CD2-CB 4.13Å; L739-E755 HydrophobicContact CD2-CG 4.29Å
756	F	95	Very high	95	Very high	21 Å²	21	35.4 Å²	35.4	9%	0.092	19%	0.194	C	C	.	.			trans	-119.7	166.8	-176.5	-78.5	-100.2	0	0	0	112.2	H738 V740 K754 L818 L826 F828 I835	H738-F756 WeakPolarHBondContact CB-O 3.45Å; H738-F756 PolarHBondContact ND1-O 3.23Å; H738-F756 PolarHBondContact O-N 3.04Å; V740-F756 HydrophobicContact CB-CD2 4.12Å; V740-F756 HydrophobicContact CB-CE2 3.78Å; V740-F756 HydrophobicContact CG2-CD2 3.59Å; V740-F756 HydrophobicContact CG2-CE2 3.56Å; V740-F756 HydrophobicContact CG2-CG 4.5Å; V740-F756 HydrophobicContact CG2-CZ 4.44Å; K754-F756 HydrophobicContact CB-CD2 4.5Å; K754-F756 HydrophobicContact CB-CE2 3.91Å; K754-F756 HydrophobicContact CG-CD2 4.27Å; K754-F756 HydrophobicContact CG-CE2 3.68Å; K754-F756 HydrophobicContact CG-CZ 4.24Å; F756-L818 HydrophobicContact CE1-CD1 3.94Å; F756-L818 HydrophobicContact CE2-CD1 4.32Å; F756-L818 HydrophobicContact CZ-CD1 3.76Å; F756-L826 HydrophobicContact CD1-CD1 3.73Å; F756-L826 HydrophobicContact CE1-CD1 3.97Å; F756-F828 HydrophobicContact CE1-CD2 4.11Å; F756-F828 HydrophobicContact CE1-CE2 4.41Å; F756-F828 AromaticContact CZ-CD2 3.68Å; F756-F828 HydrophobicContact CZ-CD2 3.68Å; F756-F828 AromaticContact CZ-CE2 3.76Å; F756-F828 HydrophobicContact CZ-CE2 3.76Å; F756-F828 HydrophobicContact CZ-CG 4.09Å; F756-F828 HydrophobicContact CZ-CZ 4.23Å; F756-I835 HydrophobicContact CD1-CD1 4.47Å; F756-I835 HydrophobicContact CE1-CD1 4.15Å; F756-I835 HydrophobicContact CE1-CG1 4.25Å
757	T	93.6	Very high	94.8	Very high	108 Å²	108	31.8 Å²	31.8	66%	0.663	18%	0.177	S	C	*	.	S	Bend	trans	-75.1	-29.6	-179.4	42.2	0	0	0	0	113.9	H738	H738-T757 PolarHBondContact CE1-O 2.82Å; H738-T757 PolarHBondContact ND1-O 2.89Å
758	D	94.5	Very high	94	Very high	22 Å²	22	31.2 Å²	31.2	12%	0.118	17%	0.171	C	C	.	.	S	Bend	trans	-118.3	152	-178.4	-61.2	-101.2	0	0	0	110.5	I760 T820 T822 R824	D758-I760 PolarHBondContact O-N 2.91Å; D758-T820 HydrophobicContact CB-CG2 3.75Å; D758-T822 WeakPolarHBondContact OD1-CB 3.38Å; D758-T822 VanDerWaalsContact OD1-CG2 3.27Å; D758-T822 WeakPolarHBondContact OD1-CG2 3.33Å; D758-T822 PolarHBondContact OD1-OG1 2.89Å; D758-R824 IonicContact OD2-CZ 3.49Å; D758-R824 IonicContact OD2-NE 3.59Å; D758-R824 IonicContact OD2-NH1 2.73Å; D758-R824 PolarHBondContact OD2-NH1 2.9Å
759	A	96.5	Very high	92.6	Very high	12 Å²	12	34.7 Å²	34.7	10%	0.099	19%	0.188	C	C	.	.			trans	-64.6	130.3	171.7	0	0	0	0	0	110.8	R736 T820 S821	R736-A759 HydrophobicContact CB-CB 4.39Å; R736-A759 HydrophobicContact CG-CB 4.22Å; A759-T820 VanDerWaalsContact O-CA 3.26Å; A759-T820 WeakPolarHBondContact O-CA 3.32Å; A759-T820 WeakPolarHBondContact O-CB 3.26Å; A759-S821 PolarHBondContact O-N 3.31Å; A759-S821 VanDerWaalsContact O-N 3.09Å
760	I	98	Very high	90.6	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.2	180	-53.2	-50.8	0	0	0	109.1	G734 G735 V740 D758 L818 T820	G734-I760 CarbonylContact C-O 3.55Å; G735-I760 CarbonylContact C-O 3.55Å; G735-I760 WeakPolarHBondContact CA-O 3.29Å; G735-I760 PolarHBondContact N-O 2.89Å; G735-I760 PolarHBondContact O-N 3.49Å; G735-I760 VanDerWaalsContact O-N 3.15Å; V740-I760 HydrophobicContact CG2-CB 4.33Å; V740-I760 HydrophobicContact CG2-CG1 3.63Å; V740-I760 HydrophobicContact CG2-CG2 4.49Å; D758-I760 PolarHBondContact O-N 2.91Å; I760-L818 HydrophobicContact CD1-CB 4.33Å; I760-L818 HydrophobicContact CG2-CB 4.28Å; I760-L818 HydrophobicContact CG2-CD2 4.35Å; I760-T820 HydrophobicContact CD1-CG2 3.95Å
761	H	97.8	Very high	87.7	Confident	16 Å²	16	40.1 Å²	40.1	7%	0.074	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-35	-176.9	-175	70.6	0	0	0	113.4	W720 S721 G819 Q846 I847	W720-H761 CarbonylContact C-O 3.58Å; W720-H761 VanDerWaalsContact C-O 3.29Å; W720-H761 WeakPolarHBondContact CB-CE1 3.26Å; W720-H761 VanDerWaalsContact CB-NE2 3.31Å; W720-H761 WeakPolarHBondContact CB-NE2 3.49Å; W720-H761 AromaticContact CD1-CE1 3.48Å; W720-H761 VanDerWaalsContact CD1-CE1 3.48Å; W720-H761 AromaticContact CD1-NE2 3.38Å; W720-H761 AromaticContact CD2-NE2 2.89Å; W720-H761 AromaticContact CE2-NE2 3.47Å; W720-H761 AromaticContact CE3-NE2 3.36Å; W720-H761 AromaticContact CG-CE1 3.46Å; W720-H761 VanDerWaalsContact CG-CE1 3.46Å; W720-H761 AromaticContact CG-ND1 3.76Å; W720-H761 AromaticContact CG-NE2 2.87Å; W720-H761 AromaticContact NE1-NE2 3.67Å; S721-H761 VanDerWaalsContact CA-O 3.24Å; S721-H761 WeakPolarHBondContact CA-O 3.35Å; S721-H761 WeakPolarHBondContact CB-O 3.36Å; S721-H761 PolarHBondContact N-O 3.4Å; H761-G819 PolarHBondContact N-O 2.9Å; H761-Q846 HydrophobicContact CB-CG 4.19Å; H761-Q846 PolarHBondContact CD2-NE2 2.93Å; H761-Q846 PolarHBondContact ND1-NE2 2.98Å; H761-I847 PolarHBondContact CD2-O 3Å; H761-I847 VanDerWaalsContact CD2-O 3.31Å
762	C	98.2	Very high	84.9	Confident	11 Å²	11	45 Å²	45	7%	0.074	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	158.9	179.4	59.8	0	0	0	0	111.8	S721 G819 I847 E848 V850	S721-C762 WeakPolarHBondContact OG-CA 3.34Å; C762-G819 PolarHBondContact N-O 3.28Å; C762-G819 PolarHBondContact O-N 3.07Å; C762-I847 PolarHBondContact SG-O 3.19Å; C762-I847 VanDerWaalsContact SG-O 3.41Å; C762-E848 WeakPolarHBondContact CB-O 3.39Å; C762-V850 HydrophobicContact CB-CG2 4.34Å
763	A	98.4	Very high	81.7	Confident	12 Å²	12	51 Å²	51	10%	0.099	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	159.4	178.7	0	0	0	0	0	112.1	S721 A723 I732 V816 V817 L818 V850	S721-A763 VanDerWaalsContact OG-CB 3.22Å; S721-A763 WeakPolarHBondContact OG-CB 3.49Å; S721-A763 PolarHBondContact OG-N 3.12Å; S721-A763 VanDerWaalsContact OG-N 3.14Å; A723-A763 HydrophobicContact CB-CB 4.2Å; I732-A763 HydrophobicContact CG2-CB 4.4Å; A763-V816 HydrophobicContact CB-CG2 4.25Å; A763-V817 CarbonylContact C-O 3.59Å; A763-V817 WeakPolarHBondContact CA-O 3.25Å; A763-V817 WeakPolarHBondContact CB-O 3.46Å; A763-L818 HydrophobicContact CB-CD2 3.8Å; A763-V850 VanDerWaalsContact C-CG2 3.45Å
764	A	98.1	Very high	78.8	Confident	15 Å²	15	54.4 Å²	54.4	12%	0.124	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	140.2	166.7	0	0	0	0	0	110.6	V816 V817 V850 Y852	A764-V816 CarbonylContact O-C 3.59Å; A764-V816 WeakPolarHBondContact O-CA 3.37Å; A764-V816 WeakPolarHBondContact O-CG2 3.24Å; A764-V817 HydrophobicContact CB-CG1 3.96Å; A764-V817 PolarHBondContact N-O 3.06Å; A764-V817 WeakPolarHBondContact O-CG1 3.49Å; A764-V817 PolarHBondContact O-N 2.86Å; A764-V850 HydrophobicContact CB-CG2 4.05Å; A764-Y852 HydrophobicContact CB-CD2 4.16Å; A764-Y852 HydrophobicContact CB-CE2 4.43Å
765	F	97	Very high	75.7	Confident	17 Å²	17	59.6 Å²	59.6	8%	0.075	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	145	171.7	-76.1	-82.6	0	0	0	111.1	A723 K724 H725 P726 I732 L742 L814 V816 Y852	A723-F765 HydrophobicContact CB-CD2 4.12Å; A723-F765 HydrophobicContact CB-CE2 4.34Å; K724-F765 WeakPolarHBondContact O-CD2 3.32Å; H725-F765 HydrophobicContact CB-CE2 4.45Å; P726-F765 HydrophobicContact CG-CB 4.49Å; I732-F765 HydrophobicContact CB-CE2 4.01Å; I732-F765 HydrophobicContact CB-CZ 3.88Å; I732-F765 HydrophobicContact CD1-CZ 4.39Å; I732-F765 HydrophobicContact CG2-CD2 4.39Å; I732-F765 HydrophobicContact CG2-CE2 3.51Å; I732-F765 HydrophobicContact CG2-CZ 3.78Å; L742-F765 HydrophobicContact CD1-CZ 3.92Å; F765-L814 HydrophobicContact CD1-CD1 3.53Å; F765-L814 HydrophobicContact CD1-CG 4.09Å; F765-L814 HydrophobicContact CE1-CD1 3.8Å; F765-L814 HydrophobicContact CE1-CD2 4.01Å; F765-L814 HydrophobicContact CE1-CG 3.91Å; F765-V816 HydrophobicContact CD1-CB 3.97Å; F765-V816 HydrophobicContact CD1-CG2 4.19Å; F765-V816 HydrophobicContact CE1-CB 4.1Å; F765-V816 HydrophobicContact CE1-CG2 4.32Å; F765-V816 HydrophobicContact CG-CG2 4.34Å; F765-Y852 WeakPolarHBondContact O-CD2 3.38Å
766	Y	95.7	Very high	72.8	Confident	21 Å²	21	57.7 Å²	57.7	8%	0.082	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-65.3	129.3	168.5	-175.1	-109.8	0	0	0	109.2	Q769 L815 Y852 G856 V873	Y766-Q769 HydrophobicContact CE1-CG 4.48Å; Y766-Q769 PolarHBondContact OH-NE2 3.45Å; Y766-L815 PolarHBondContact N-O 3.07Å; Y766-Y852 AromaticContact CD2-CD1 3.89Å; Y766-Y852 HydrophobicContact CD2-CD1 3.89Å; Y766-Y852 AromaticContact CD2-CE1 3.65Å; Y766-Y852 HydrophobicContact CD2-CE1 3.65Å; Y766-Y852 HydrophobicContact CD2-CG 4.42Å; Y766-Y852 AromaticContact CD2-CZ 3.98Å; Y766-Y852 HydrophobicContact CE2-CD1 4.37Å; Y766-Y852 HydrophobicContact CE2-CE1 4.33Å; Y766-G856 VanDerWaalsContact CE2-O 3.24Å; Y766-G856 WeakPolarHBondContact CE2-O 3.21Å; Y766-G856 PolarHBondContact OH-O 3.36Å; Y766-V873 HydrophobicContact CD2-CG1 4.25Å; Y766-V873 HydrophobicContact CE2-CG1 3.63Å
767	P	91.8	Very high	69.6	Low	22 Å²	22	61.9 Å²	61.9	14%	0.143	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-69.4	147.4	-177.2	28	-35.4	0	0	0	111.7	G856	P767-G856 VanDerWaalsContact CG-CA 3.48Å
768	P	77.4	Confident	66.4	Low	48 Å²	48	64.6 Å²	64.6	31%	0.312	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-64.9	138.1	171.9	30.8	-36.7	0	0	0	109.6	P726 Q727 S770	P726-P768 HydrophobicContact CB-CG 4.34Å; Q727-P768 HydrophobicContact CG-CB 4.33Å; Q727-P768 HydrophobicContact CG-CG 3.86Å; P768-S770 VanDerWaalsContact C-N 3.33Å; P768-S770 PolarHBondContact O-N 3.21Å
769	Q	64.7	Low	63.2	Low	93 Å²	93	67.9 Å²	67.9	44%	0.435	40%	0.404	S	S	.	.			trans	-73.8	84.2	-179.6	-65.5	-164.5	-32.4	0	0	111.4	Y766	Y766-Q769 HydrophobicContact CE1-CG 4.48Å; Y766-Q769 PolarHBondContact OH-NE2 3.45Å
770	S	49.4	Very low	60	Low	84 Å²	84	72.6 Å²	72.6	59%	0.587	43%	0.434	S	S	*	.			trans	-68.7	127	168.6	58.5	0	0	0	0	110.3	P768 L772	P768-S770 VanDerWaalsContact C-N 3.33Å; P768-S770 PolarHBondContact O-N 3.21Å; S770-L772 PolarHBondContact O-N 3.38Å; S770-L772 VanDerWaalsContact O-N 3.12Å
771	V	32	Very low	56.9	Low	101 Å²	101	77.7 Å²	77.7	61%	0.612	47%	0.465	S	S	*	.			trans	-68.2	109.4	169.8	-178.2	0	0	0	0	108.2	I773	V771-I773 VanDerWaalsContact C-N 3.33Å; V771-I773 HydrophobicContact CG1-CG1 4.15Å; V771-I773 PolarHBondContact O-N 2.81Å
772	L	33.1	Very low	53.6	Low	131 Å²	131	83.9 Å²	83.9	69%	0.686	50%	0.499	S	S	*	.			trans	-69	88.6	172.1	-81.6	168.6	0	0	0	110	S770 T774	S770-L772 PolarHBondContact O-N 3.38Å; S770-L772 VanDerWaalsContact O-N 3.12Å; L772-T774 VanDerWaalsContact C-N 3.32Å; L772-T774 PolarHBondContact O-N 3.37Å
773	I	26.6	Very low	50.3	Low	138 Å²	138	89.3 Å²	89.3	71%	0.708	53%	0.527	S	S	*	.			trans	-71.7	88.6	173.8	-55.3	177.3	0	0	0	108.7	V771	V771-I773 VanDerWaalsContact C-N 3.33Å; V771-I773 HydrophobicContact CG1-CG1 4.15Å; V771-I773 PolarHBondContact O-N 2.81Å
774	T	28.8	Very low	47.2	Very low	96 Å²	96	97 Å²	97	59%	0.589	56%	0.56	S	S	*	*			trans	-98.9	115.3	170.6	54.5	0	0	0	0	109.6	L772 G776	L772-T774 VanDerWaalsContact C-N 3.32Å; L772-T774 PolarHBondContact O-N 3.37Å; T774-G776 PolarHBondContact O-N 3.43Å
775	N	30	Very low	43.9	Very low	167 Å²	167	103.8 Å²	103.8	89%	0.893	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	50.9	42.2	167.2	-60.8	-15.5	0	0	0	117.4	T777	N775-T777 PolarHBondContact O-N 3.03Å
776	G	32.7	Very low	41	Very low	75 Å²	75	110.3 Å²	110.3	77%	0.773	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	82.7	-1	158	0	0	0	0	0	117.5	T774	T774-G776 PolarHBondContact O-N 3.43Å
777	T	27.2	Very low	38	Very low	108 Å²	108	116.3 Å²	116.3	66%	0.663	66%	0.664	S	S	*	*			trans	-118.1	120.7	171.9	49.7	0	0	0	0	110.8	N775 S779	N775-T777 PolarHBondContact O-N 3.03Å; T777-S779 PolarHBondContact O-N 3.41Å
778	M	27.1	Very low	35.2	Very low	166 Å²	166	120.6 Å²	120.6	82%	0.818	69%	0.694	S	S	*	*			trans	-73.3	121.9	167.1	-73.8	-167	179.1	0	0	110
779	S	26.2	Very low	33	Very low	91 Å²	91	125.5 Å²	125.5	64%	0.636	72%	0.718	S	S	*	*			trans	-133.6	131.5	163.8	57.2	0	0	0	0	109.8	T777	T777-S779 PolarHBondContact O-N 3.41Å
780	P	30.4	Very low	31.6	Very low	111 Å²	111	129.1 Å²	129.1	72%	0.721	74%	0.738	S	S	*	*			trans	-71.9	130.2	170.2	29.5	-32.1	0	0	0	109	N782	P780-N782 PolarHBondContact O-N 2.98Å
781	V	31.9	Very low	30.7	Very low	109 Å²	109	132.9 Å²	132.9	66%	0.661	75%	0.752	S	S	*	*			trans	-76.4	74.7	-177.8	-173	0	0	0	0	110.7	N783	V781-N783 PolarHBondContact O-N 3.49Å
782	N	29.6	Very low	30.9	Very low	146 Å²	146	131.5 Å²	131.5	78%	0.781	76%	0.758	S	S	*	*			trans	-80.6	100	167	-84.2	-20	0	0	0	109.3	P780 H784	P780-N782 PolarHBondContact O-N 2.98Å; N782-H784 PolarHBondContact O-N 3.24Å
783	N	28.9	Very low	30.8	Very low	124 Å²	124	132.7 Å²	132.7	66%	0.663	77%	0.765	S	S	*	*			trans	-66.1	96.6	172.9	-88	-28.5	0	0	0	111.2	V781	V781-N783 PolarHBondContact O-N 3.49Å
784	H	32.7	Very low	31.2	Very low	174 Å²	174	133.2 Å²	133.2	81%	0.806	77%	0.77	S	S	*	*			trans	-137.3	102.7	162.8	-104	43.5	0	0	0	110.1	N782	N782-H784 PolarHBondContact O-N 3.24Å
785	N	29.8	Very low	31.4	Very low	157 Å²	157	135.1 Å²	135.1	84%	0.84	78%	0.781	S	S	*	*			trans	-74.2	121.1	164.6	-68.2	-23.2	0	0	0	108.7
786	N	35.1	Very low	31.4	Very low	154 Å²	154	134.2 Å²	134.2	82%	0.824	78%	0.775	S	S	*	*			trans	-162.9	155.2	153.2	-96.7	-34.8	0	0	0	109.5
787	D	31.7	Very low	31.4	Very low	148 Å²	148	138.6 Å²	138.6	79%	0.791	78%	0.78	S	S	*	*			trans	-83.8	161.9	-158.2	-66.2	-71.1	0	0	0	117
788	S	35	Very low	31.5	Very low	112 Å²	112	140.7 Å²	140.7	78%	0.783	78%	0.782	S	S	*	*			trans	86.8	128.8	144.5	75.5	0	0	0	0	121
789	N	30.1	Very low	31.6	Very low	151 Å²	151	138.8 Å²	138.8	81%	0.807	78%	0.78	S	S	*	*			trans	8.3	129.9	152	-67	-33.4	0	0	0	119.9
790	I	36.4	Very low	31.8	Very low	168 Å²	168	142.2 Å²	142.2	86%	0.862	79%	0.792	S	S	*	*				-161.2	144	114.3	-102.5	152.9	0	0	0	110.3
791	N	30.5	Very low	31.8	Very low	163 Å²	163	144.4 Å²	144.4	87%	0.872	80%	0.797	S	S	*	*			trans	-84.9	140.4	175.6	-64.4	-48.7	0	0	0	110.8
792	G	34.6	Very low	31.7	Very low	73 Å²	73	145.8 Å²	145.8	75%	0.753	80%	0.8	S	S	*	*			trans	-164.6	104.4	173.8	0	0	0	0	0	112.9
793	N	31.1	Very low	31.6	Very low	155 Å²	155	145.7 Å²	145.7	83%	0.829	80%	0.8	S	S	*	*			trans	-75.9	137.4	174.9	-61.9	-25	0	0	0	110.9
794	N	35	Very low	31.6	Very low	150 Å²	150	148.2 Å²	148.2	80%	0.802	81%	0.805	S	S	*	*			trans	-166.7	106.1	141.2	-88.9	-30.5	0	0	0	106.1
795	V	33.8	Very low	31.5	Very low	135 Å²	135	146 Å²	146	82%	0.818	80%	0.799	S	S	*	*				73.7	121.4	85.6	172.5	0	0	0	0	111.3
796	I	29.8	Very low	31.5	Very low	149 Å²	149	145.9 Å²	145.9	76%	0.764	80%	0.804	S	S	*	*			trans	-79.2	146.6	-176.1	-56.5	155.2	0	0	0	109	E798	I796-E798 HydrophobicContact CG2-CG 4.24Å
797	D	32.6	Very low	31	Very low	166 Å²	166	142.8 Å²	142.8	89%	0.888	79%	0.794	S	S	*	*			trans	-133.3	142	153.6	-145.4	-11.5	0	0	0	109
798	E	30	Very low	30.8	Very low	152 Å²	152	142.9 Å²	142.9	71%	0.71	79%	0.792	S	S	*	*			trans	-101	170.2	-171	-66.1	-169.8	141	0	0	112.3	I796	I796-E798 HydrophobicContact CG2-CG 4.24Å
799	T	28.7	Very low	30.5	Very low	127 Å²	127	146.4 Å²	146.4	78%	0.779	80%	0.798	S	S	*	*			trans	63.6	103.2	168	67.2	0	0	0	0	117.1
800	N	30.8	Very low	30.5	Very low	163 Å²	163	144.7 Å²	144.7	87%	0.872	79%	0.789	S	S	*	*			trans	-149	127.6	139.3	-105.3	-62.5	0	0	0	109.7	L802	N800-L802 PolarHBondContact O-N 3.44Å
801	N	28.7	Very low	30.7	Very low	156 Å²	156	141.8 Å²	141.8	83%	0.834	78%	0.783	S	S	*	*			trans	-70.4	129.3	178.7	-69.8	-32.4	0	0	0	110
802	L	31.7	Very low	32.3	Very low	138 Å²	138	140.9 Å²	140.9	72%	0.723	77%	0.773	S	S	*	*			trans	-139.4	96.4	165.4	-104.6	164.6	0	0	0	108.2	N800 F804	N800-L802 PolarHBondContact O-N 3.44Å; L802-F804 HydrophobicContact CB-CD2 4.44Å; L802-F804 HydrophobicContact CD2-CD2 4.37Å; L802-F804 HydrophobicContact CD2-CE2 4.36Å; L802-F804 PolarHBondContact O-N 3.17Å
803	D	26.4	Very low	34.3	Very low	145 Å²	145	140 Å²	140	78%	0.775	75%	0.752	S	S	*	*			trans	-65.4	81.5	172.6	-67.1	-63.5	0	0	0	109.9	N805	D803-N805 VanDerWaalsContact C-N 3.29Å; D803-N805 PolarHBondContact O-N 3.15Å; D803-N805 PolarHBondContact O-ND2 3.03Å
804	F	30.1	Very low	37.1	Very low	176 Å²	176	133.8 Å²	133.8	77%	0.772	72%	0.718	S	S	*	*			trans	-76.2	85.5	179	-119.1	-81.8	0	0	0	110.2	L802 V806	L802-F804 HydrophobicContact CB-CD2 4.44Å; L802-F804 HydrophobicContact CD2-CD2 4.37Å; L802-F804 HydrophobicContact CD2-CE2 4.36Å; L802-F804 PolarHBondContact O-N 3.17Å; F804-V806 PolarHBondContact O-N 2.8Å
805	N	28.7	Very low	40	Very low	129 Å²	129	126.8 Å²	126.8	69%	0.69	68%	0.681	S	S	*	*			trans	-32.2	111	-179.1	-74.7	-80.2	0	0	0	114.6	D803 S807	D803-N805 VanDerWaalsContact C-N 3.29Å; D803-N805 PolarHBondContact O-N 3.15Å; D803-N805 PolarHBondContact O-ND2 3.03Å; N805-S807 PolarHBondContact O-N 2.86Å
806	V	31.2	Very low	43	Very low	154 Å²	154	120.3 Å²	120.3	93%	0.933	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	34.8	175.3	-171.6	0	0	0	0	110.9	F804	F804-V806 PolarHBondContact O-N 2.8Å
807	S	24.8	Very low	46.3	Very low	89 Å²	89	113.2 Å²	113.2	62%	0.622	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.5	13.3	-165.6	58.5	0	0	0	0	115.1	N805	N805-S807 PolarHBondContact O-N 2.86Å
808	M	27.2	Very low	49.4	Very low	150 Å²	150	105.4 Å²	105.4	74%	0.739	56%	0.563	S	S	*	*			trans	-131.9	78.4	166.8	-75.3	-166	174.9	0	0	111.9	N810	M808-N810 PolarHBondContact O-N 3.39Å
809	M	27.6	Very low	52.7	Low	186 Å²	186	98.1 Å²	98.1	92%	0.916	53%	0.529	S	S	*	.			trans	-74.9	72.7	160.8	-65.5	-176	73.3	0	0	109	S811	M809-S811 PolarHBondContact O-N 2.95Å
810	N	30.1	Very low	55.9	Low	115 Å²	115	92.1 Å²	92.1	62%	0.615	49%	0.492	S	S	*	.			trans	-56	135.9	177.5	-79	-19.6	0	0	0	110.4	M808 H812	M808-N810 PolarHBondContact O-N 3.39Å; N810-H812 PolarHBondContact O-N 3.15Å
811	S	42.2	Very low	59	Low	106 Å²	106	86.5 Å²	86.5	74%	0.741	47%	0.466	S	S	*	.			trans	-52.6	108.3	-173	44.6	0	0	0	0	112.4	M809 D813	M809-S811 PolarHBondContact O-N 2.95Å; S811-D813 PolarHBondContact O-N 3.49Å
812	H	63.6	Low	62.1	Low	144 Å²	144	81.7 Å²	81.7	67%	0.667	44%	0.443	S	S	*	.			trans	-70.1	127.4	170.8	-70.2	-50.6	0	0	0	109.5	N810 L814	N810-H812 PolarHBondContact O-N 3.15Å; H812-L814 PolarHBondContact O-N 3.38Å
813	D	76.5	Confident	65.2	Low	55 Å²	55	75.1 Å²	75.1	29%	0.294	41%	0.408	S	S	.	.			trans	-62.9	116.6	178.6	-84.3	-55.9	0	0	0	111.2	S811 L815 N829 K832 Y878	S811-D813 PolarHBondContact O-N 3.49Å; D813-L815 HydrophobicContact CB-CD2 4.38Å; D813-L815 PolarHBondContact O-N 2.8Å; D813-L815 VanDerWaalsContact O-N 3.13Å; D813-N829 WeakPolarHBondContact CB-ND2 3.48Å; D813-N829 PolarHBondContact OD1-ND2 2.99Å; D813-K832 WeakPolarHBondContact OD1-CE 3.28Å; D813-K832 IonicContact OD1-NZ 3.49Å; D813-K832 PolarHBondContact OD1-NZ 2.87Å; D813-K832 IonicContact OD2-NZ 2.62Å; D813-K832 PolarHBondContact OD2-NZ 3.06Å; D813-Y878 HydrophobicContact CB-CE2 4.27Å; D813-Y878 WeakPolarHBondContact CB-OH 3.43Å; D813-Y878 PolarHBondContact OD2-OH 3.37Å
814	L	90.4	Very high	68.5	Low	24 Å²	24	72.2 Å²	72.2	13%	0.126	39%	0.386	C	S	.	.			trans	-77.3	98.7	178.4	-180	58.3	0	0	0	110.4	H725 F765 H812 C830 L831	H725-L814 WeakPolarHBondContact NE2-CD1 3.26Å; F765-L814 HydrophobicContact CD1-CD1 3.53Å; F765-L814 HydrophobicContact CD1-CG 4.09Å; F765-L814 HydrophobicContact CE1-CD1 3.8Å; F765-L814 HydrophobicContact CE1-CD2 4.01Å; F765-L814 HydrophobicContact CE1-CG 3.91Å; H812-L814 PolarHBondContact O-N 3.38Å; L814-C830 HydrophobicContact CB-CB 4.15Å; L814-C830 HydrophobicContact CD2-CB 3.81Å; L814-C830 HydrophobicContact CG-CB 3.86Å; L814-C830 WeakPolarHBondContact O-CB 3.23Å; L814-C830 PolarHBondContact O-N 3.26Å; L814-L831 HydrophobicContact CB-CD1 4.44Å; L814-L831 HydrophobicContact CB-CG 4.13Å
815	L	95.5	Very high	71.7	Confident	3 Å²	3	63.8 Å²	63.8	2%	0.016	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	140.5	179	-56.2	-175.6	0	0	0	111.9	Y766 D813 V827 F828 N829 I836 G877 Y878	Y766-L815 PolarHBondContact N-O 3.07Å; D813-L815 HydrophobicContact CB-CD2 4.38Å; D813-L815 PolarHBondContact O-N 2.8Å; D813-L815 VanDerWaalsContact O-N 3.13Å; L815-V827 HydrophobicContact CB-CG1 4.35Å; L815-F828 WeakPolarHBondContact CA-O 3.47Å; L815-N829 HydrophobicContact CD2-CB 3.81Å; L815-I836 HydrophobicContact CD2-CG1 4.06Å; L815-G877 WeakPolarHBondContact CD1-O 3.49Å; L815-Y878 HydrophobicContact CD1-CD2 3.98Å; L815-Y878 HydrophobicContact CD1-CE2 3.94Å; L815-Y878 HydrophobicContact CD2-CE2 4.48Å
816	V	96.9	Very high	75	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	136.7	172.6	69	0	0	0	0	109.7	I732 A763 A764 F765 L818 V827 F828 C830	I732-V816 HydrophobicContact CD1-CG1 4.1Å; I732-V816 HydrophobicContact CD1-CG2 4.33Å; I732-V816 HydrophobicContact CG2-CG2 4.33Å; A763-V816 HydrophobicContact CB-CG2 4.25Å; A764-V816 CarbonylContact O-C 3.59Å; A764-V816 WeakPolarHBondContact O-CA 3.37Å; A764-V816 WeakPolarHBondContact O-CG2 3.24Å; F765-V816 HydrophobicContact CD1-CB 3.97Å; F765-V816 HydrophobicContact CD1-CG2 4.19Å; F765-V816 HydrophobicContact CE1-CB 4.1Å; F765-V816 HydrophobicContact CE1-CG2 4.32Å; F765-V816 HydrophobicContact CG-CG2 4.34Å; V816-L818 HydrophobicContact CG1-CD2 4.1Å; V816-L818 HydrophobicContact CG1-CG 4.31Å; V816-L818 HydrophobicContact CG2-CD2 4.13Å; V816-V827 WeakPolarHBondContact O-CA 3.47Å; V816-F828 HydrophobicContact CG1-CB 3.96Å; V816-F828 HydrophobicContact CG1-CD1 4.26Å; V816-F828 PolarHBondContact N-O 3.07Å; V816-F828 PolarHBondContact O-N 3.11Å; V816-C830 VanDerWaalsContact CG1-SG 3.54Å
817	V	98.3	Very high	78.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	139	166.3	66.2	0	0	0	0	109.6	A763 A764 W825 L826 V827 V850 Y852 L859	A763-V817 CarbonylContact C-O 3.59Å; A763-V817 WeakPolarHBondContact CA-O 3.25Å; A763-V817 WeakPolarHBondContact CB-O 3.46Å; A764-V817 HydrophobicContact CB-CG1 3.96Å; A764-V817 PolarHBondContact N-O 3.06Å; A764-V817 WeakPolarHBondContact O-CG1 3.49Å; A764-V817 PolarHBondContact O-N 2.86Å; V817-W825 HydrophobicContact CG2-CE3 3.74Å; V817-W825 HydrophobicContact CG2-CZ3 4.32Å; V817-L826 CarbonylContact C-O 3.55Å; V817-L826 VanDerWaalsContact CA-O 3.31Å; V817-L826 WeakPolarHBondContact CA-O 3.39Å; V817-L826 WeakPolarHBondContact CG2-O 3.44Å; V817-V827 HydrophobicContact CB-CG2 4.42Å; V817-V827 HydrophobicContact CG2-CG2 4.29Å; V817-V850 HydrophobicContact CG1-CB 4.15Å; V817-V850 HydrophobicContact CG1-CG2 3.89Å; V817-Y852 HydrophobicContact CB-CE2 4.17Å; V817-Y852 HydrophobicContact CG1-CD2 4.43Å; V817-Y852 HydrophobicContact CG1-CE2 3.63Å; V817-L859 HydrophobicContact CG1-CD1 4.06Å; V817-L859 HydrophobicContact CG2-CD2 4.17Å
818	L	98.4	Very high	81.6	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	121.1	-180	-54.5	174	0	0	0	108.9	V740 F756 I760 A763 V816 W825 L826 F828	V740-L818 HydrophobicContact CG1-CD2 4.47Å; V740-L818 HydrophobicContact CG2-CD1 4.16Å; F756-L818 HydrophobicContact CE1-CD1 3.94Å; F756-L818 HydrophobicContact CE2-CD1 4.32Å; F756-L818 HydrophobicContact CZ-CD1 3.76Å; I760-L818 HydrophobicContact CD1-CB 4.33Å; I760-L818 HydrophobicContact CG2-CB 4.28Å; I760-L818 HydrophobicContact CG2-CD2 4.35Å; A763-L818 HydrophobicContact CB-CD2 3.8Å; V816-L818 HydrophobicContact CG1-CD2 4.1Å; V816-L818 HydrophobicContact CG1-CG 4.31Å; V816-L818 HydrophobicContact CG2-CD2 4.13Å; L818-W825 CarbonylContact O-C 3.59Å; L818-W825 WeakPolarHBondContact O-CA 3.46Å; L818-W825 WeakPolarHBondContact O-CB 3.3Å; L818-L826 PolarHBondContact N-O 3.31Å; L818-L826 PolarHBondContact O-N 2.92Å; L818-F828 HydrophobicContact CD1-CB 4.18Å
819	G	98.1	Very high	84.8	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	139.3	174.3	0	0	0	0	0	111.7	H761 C762	H761-G819 PolarHBondContact N-O 2.9Å; C762-G819 PolarHBondContact N-O 3.28Å; C762-G819 PolarHBondContact O-N 3.07Å
820	T	97.8	Very high	87.9	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	166.9	-172	71.4	0	0	0	0	113.5	D758 A759 I760 T822 R824 I847	D758-T820 HydrophobicContact CB-CG2 3.75Å; A759-T820 VanDerWaalsContact O-CA 3.26Å; A759-T820 WeakPolarHBondContact O-CA 3.32Å; A759-T820 WeakPolarHBondContact O-CB 3.26Å; I760-T820 HydrophobicContact CD1-CG2 3.95Å; T820-T822 PolarHBondContact O-N 3.39Å; T820-T822 PolarHBondContact OG1-N 3.47Å; T820-T822 PolarHBondContact OG1-OG1 3.4Å; T820-T822 VanDerWaalsContact OG1-OG1 3.04Å; T820-R824 WeakPolarHBondContact CB-O 3.47Å; T820-R824 HydrophobicContact CG2-CB 4.09Å; T820-R824 WeakPolarHBondContact CG2-O 3.42Å; T820-R824 PolarHBondContact N-O 3.23Å; T820-R824 WeakPolarHBondContact OG1-CA 3.44Å; T820-R824 WeakPolarHBondContact OG1-CB 3.26Å; T820-R824 PolarHBondContact OG1-N 2.84Å; T820-R824 VanDerWaalsContact OG1-N 3.08Å; T820-R824 PolarHBondContact OG1-O 3.39Å; T820-I847 PolarHBondContact O-N 2.79Å
821	S	94.3	Very high	90.8	Very high	46 Å²	46	29.5 Å²	29.5	32%	0.322	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-9.6	169.8	65.2	0	0	0	0	115.3	A759 Q846	A759-S821 PolarHBondContact O-N 3.31Å; A759-S821 VanDerWaalsContact O-N 3.09Å; S821-Q846 VanDerWaalsContact CB-OE1 3.24Å
822	T	95.4	Very high	93.1	Very high	55 Å²	55	29.3 Å²	29.3	34%	0.337	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	17.2	-171.9	56.8	0	0	0	0	113.3	D758 T820 R824 G844	D758-T822 WeakPolarHBondContact OD1-CB 3.38Å; D758-T822 VanDerWaalsContact OD1-CG2 3.27Å; D758-T822 WeakPolarHBondContact OD1-CG2 3.33Å; D758-T822 PolarHBondContact OD1-OG1 2.89Å; T820-T822 PolarHBondContact O-N 3.39Å; T820-T822 PolarHBondContact OG1-N 3.47Å; T820-T822 PolarHBondContact OG1-OG1 3.4Å; T820-T822 VanDerWaalsContact OG1-OG1 3.04Å; T822-R824 PolarHBondContact O-N 3.31Å; T822-R824 VanDerWaalsContact O-N 3.09Å; T822-R824 WeakPolarHBondContact OG1-CG 3.39Å; T822-G844 CarbonylContact C-O 3.55Å; T822-G844 WeakPolarHBondContact O-CA 3.17Å
823	G	94.9	Very high	94.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	70.6	-3.8	-174.6	0	0	0	0	0	114.2	D841 E845	G823-D841 CarbonylContact C-O 3.59Å; G823-D841 WeakPolarHBondContact CA-O 3.27Å; G823-D841 CarbonylContact O-C 3.51Å; G823-D841 PolarHBondContact O-N 2.96Å; G823-E845 WeakPolarHBondContact CA-O 3.33Å; G823-E845 PolarHBondContact N-O 3.28Å
824	R	97	Very high	95.3	Very high	83 Å²	83	25.1 Å²	25.1	31%	0.313	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	151.1	172.3	-56.8	179.6	67.8	-169.6	2.6	110.1	D758 T820 T822 H839	D758-R824 IonicContact OD2-CZ 3.49Å; D758-R824 IonicContact OD2-NE 3.59Å; D758-R824 IonicContact OD2-NH1 2.73Å; D758-R824 PolarHBondContact OD2-NH1 2.9Å; T820-R824 WeakPolarHBondContact CB-O 3.47Å; T820-R824 HydrophobicContact CG2-CB 4.09Å; T820-R824 WeakPolarHBondContact CG2-O 3.42Å; T820-R824 PolarHBondContact N-O 3.23Å; T820-R824 WeakPolarHBondContact OG1-CA 3.44Å; T820-R824 WeakPolarHBondContact OG1-CB 3.26Å; T820-R824 PolarHBondContact OG1-N 2.84Å; T820-R824 VanDerWaalsContact OG1-N 3.08Å; T820-R824 PolarHBondContact OG1-O 3.39Å; T822-R824 PolarHBondContact O-N 3.31Å; T822-R824 VanDerWaalsContact O-N 3.09Å; T822-R824 WeakPolarHBondContact OG1-CG 3.39Å; R824-H839 WeakPolarHBondContact CA-O 3.34Å
825	W	97.9	Very high	95.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	145.7	166.1	60.6	-86.4	0	0	0	110.5	V817 L818 V827 H839 D841 L859 L861 Y871 Y880	V817-W825 HydrophobicContact CG2-CE3 3.74Å; V817-W825 HydrophobicContact CG2-CZ3 4.32Å; L818-W825 CarbonylContact O-C 3.59Å; L818-W825 WeakPolarHBondContact O-CA 3.46Å; L818-W825 WeakPolarHBondContact O-CB 3.3Å; W825-V827 HydrophobicContact CE3-CG2 4.29Å; W825-V827 HydrophobicContact CZ3-CG2 3.89Å; W825-H839 HydrophobicContact CD2-CB 3.78Å; W825-H839 AromaticContact CE2-CG 3.87Å; W825-H839 HydrophobicContact CE3-CB 4.36Å; W825-H839 HydrophobicContact CG-CB 4.25Å; W825-H839 HydrophobicContact CH2-CB 4.1Å; W825-H839 AromaticContact CH2-CD2 3.27Å; W825-H839 WeakPolarHBondContact CH2-CD2 3.39Å; W825-H839 AromaticContact CH2-CG 3.74Å; W825-H839 AromaticContact CH2-NE2 3.87Å; W825-H839 HydrophobicContact CZ2-CB 3.45Å; W825-H839 VanDerWaalsContact CZ2-CB 3.45Å; W825-H839 AromaticContact CZ2-CD2 3.55Å; W825-H839 AromaticContact CZ2-CG 3.49Å; W825-H839 VanDerWaalsContact CZ2-CG 3.49Å; W825-H839 AromaticContact CZ3-CD2 3.56Å; W825-H839 PolarHBondContact N-O 3.34Å; W825-H839 VanDerWaalsContact N-O 3.08Å; W825-H839 PolarHBondContact O-N 2.97Å; W825-D841 PolarHBondContact NE1-OD2 3.23Å; W825-L859 HydrophobicContact CE3-CD2 4.33Å; W825-L859 HydrophobicContact CH2-CD2 4.08Å; W825-L859 HydrophobicContact CZ3-CD2 3.77Å; W825-L861 HydrophobicContact CD2-CD1 3.83Å; W825-L861 HydrophobicContact CD2-CD2 4.5Å; W825-L861 VanDerWaalsContact CE2-CD1 3.4Å; W825-L861 HydrophobicContact CG-CD1 3.94Å; W825-L861 HydrophobicContact CZ2-CD1 3.95Å; W825-Y871 HydrophobicContact CH2-CD1 4.4Å; W825-Y871 HydrophobicContact CH2-CE1 4.4Å; W825-Y871 HydrophobicContact CH2-CG 4.46Å; W825-Y871 HydrophobicContact CZ2-CD1 4.18Å; W825-Y871 AromaticContact CZ2-CD2 4Å; W825-Y871 HydrophobicContact CZ2-CD2 4Å; W825-Y871 AromaticContact CZ2-CE1 3.82Å; W825-Y871 HydrophobicContact CZ2-CE1 3.82Å; W825-Y871 AromaticContact CZ2-CE2 3.6Å; W825-Y871 HydrophobicContact CZ2-CE2 3.6Å; W825-Y871 HydrophobicContact CZ2-CG 4.27Å; W825-Y871 AromaticContact CZ2-CZ 3.5Å; W825-Y871 VanDerWaalsContact CZ2-CZ 3.5Å; W825-Y880 AromaticContact CH2-CD1 3.82Å; W825-Y880 HydrophobicContact CH2-CD1 3.82Å; W825-Y880 HydrophobicContact CH2-CD2 4.43Å; W825-Y880 AromaticContact CH2-CG 3.76Å; W825-Y880 HydrophobicContact CH2-CG 3.76Å; W825-Y880 HydrophobicContact CZ3-CD1 4.08Å; W825-Y880 HydrophobicContact CZ3-CD2 4.49Å; W825-Y880 HydrophobicContact CZ3-CE1 4.42Å; W825-Y880 HydrophobicContact CZ3-CG 4.14Å
826	L	97.6	Very high	95.5	Very high	3 Å²	3	30 Å²	30	2%	0.016	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	149.8	-171.9	-54.2	176.5	0	0	0	109.5	F756 V817 L818 I835 A837 A838	F756-L826 HydrophobicContact CD1-CD1 3.73Å; F756-L826 HydrophobicContact CE1-CD1 3.97Å; V817-L826 CarbonylContact C-O 3.55Å; V817-L826 VanDerWaalsContact CA-O 3.31Å; V817-L826 WeakPolarHBondContact CA-O 3.39Å; V817-L826 WeakPolarHBondContact CG2-O 3.44Å; L818-L826 PolarHBondContact N-O 3.31Å; L818-L826 PolarHBondContact O-N 2.92Å; L826-I835 HydrophobicContact CD1-CD1 4.22Å; L826-I835 HydrophobicContact CD2-CG2 4.41Å; L826-A837 CarbonylContact C-O 3.58Å; L826-A837 WeakPolarHBondContact CA-O 3.24Å; L826-A838 HydrophobicContact CD2-CB 3.56Å
827	V	97.5	Very high	95.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123	166.9	-178.2	0	0	0	0	108	L815 V816 V817 W825 I835 I836 A837 Y880	L815-V827 HydrophobicContact CB-CG1 4.35Å; V816-V827 WeakPolarHBondContact O-CA 3.47Å; V817-V827 HydrophobicContact CB-CG2 4.42Å; V817-V827 HydrophobicContact CG2-CG2 4.29Å; W825-V827 HydrophobicContact CE3-CG2 4.29Å; W825-V827 HydrophobicContact CZ3-CG2 3.89Å; V827-I835 CarbonylContact O-C 3.54Å; V827-I836 HydrophobicContact CG1-CB 4.46Å; V827-I836 PolarHBondContact O-N 3.39Å; V827-A837 HydrophobicContact CB-CB 4.11Å; V827-A837 HydrophobicContact CG2-CB 4.29Å; V827-A837 PolarHBondContact N-O 2.94Å; V827-A837 PolarHBondContact O-N 2.9Å; V827-Y880 HydrophobicContact CB-CE2 4.33Å; V827-Y880 HydrophobicContact CG1-CE2 4.37Å; V827-Y880 HydrophobicContact CG2-CD2 4.36Å; V827-Y880 HydrophobicContact CG2-CE1 4.45Å; V827-Y880 HydrophobicContact CG2-CE2 3.66Å
828	F	96.9	Very high	95.2	Very high	3 Å²	3	33.5 Å²	33.5	1%	0.013	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	136.2	-171.4	-176.2	-103	0	0	0	110.4	W752 K754 F756 L815 V816 L818 Q833 E834 I835	W752-F828 HydrophobicContact CH2-CD1 4.09Å; W752-F828 AromaticContact CH2-CE1 3.49Å; W752-F828 HydrophobicContact CH2-CE1 3.49Å; W752-F828 VanDerWaalsContact CH2-CE1 3.49Å; W752-F828 HydrophobicContact CH2-CZ 4.38Å; W752-F828 HydrophobicContact CZ2-CD1 4.34Å; W752-F828 AromaticContact CZ2-CE1 3.68Å; W752-F828 HydrophobicContact CZ2-CE1 3.68Å; W752-F828 HydrophobicContact CZ3-CE1 4.17Å; K754-F828 HydrophobicContact CG-CZ 4.19Å; F756-F828 HydrophobicContact CE1-CD2 4.11Å; F756-F828 HydrophobicContact CE1-CE2 4.41Å; F756-F828 AromaticContact CZ-CD2 3.68Å; F756-F828 HydrophobicContact CZ-CD2 3.68Å; F756-F828 AromaticContact CZ-CE2 3.76Å; F756-F828 HydrophobicContact CZ-CE2 3.76Å; F756-F828 HydrophobicContact CZ-CG 4.09Å; F756-F828 HydrophobicContact CZ-CZ 4.23Å; L815-F828 WeakPolarHBondContact CA-O 3.47Å; V816-F828 HydrophobicContact CG1-CB 3.96Å; V816-F828 HydrophobicContact CG1-CD1 4.26Å; V816-F828 PolarHBondContact N-O 3.07Å; V816-F828 PolarHBondContact O-N 3.11Å; L818-F828 HydrophobicContact CD1-CB 4.18Å; F828-Q833 WeakPolarHBondContact CE2-O 3.43Å; F828-Q833 VanDerWaalsContact CZ-CA 3.42Å; F828-Q833 HydrophobicContact CZ-CB 3.9Å; F828-Q833 HydrophobicContact CZ-CG 4.43Å; F828-E834 WeakPolarHBondContact CA-O 3.45Å; F828-E834 WeakPolarHBondContact CD2-O 3.28Å; F828-I835 HydrophobicContact CD2-CG1 4.04Å
829	N	95	Very high	95.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	113.6	172.9	-176.1	-49	0	0	0	109.2	D813 L815 L831 K832 Q833 E834 I836 Y878	D813-N829 WeakPolarHBondContact CB-ND2 3.48Å; D813-N829 PolarHBondContact OD1-ND2 2.99Å; L815-N829 HydrophobicContact CD2-CB 3.81Å; N829-L831 VanDerWaalsContact C-N 3.26Å; N829-L831 PolarHBondContact O-N 3.01Å; N829-L831 PolarHBondContact OD1-N 3.46Å; N829-K832 HydrophobicContact CB-CB 4.29Å; N829-K832 PolarHBondContact OD1-N 3.09Å; N829-Q833 VanDerWaalsContact O-CA 3.22Å; N829-Q833 WeakPolarHBondContact O-CA 3.4Å; N829-Q833 PolarHBondContact O-N 2.83Å; N829-E834 HydrophobicContact CB-CG 4Å; N829-E834 PolarHBondContact N-O 3.1Å; N829-I836 HydrophobicContact CB-CD1 4.03Å; N829-I836 HydrophobicContact CB-CG1 3.93Å; N829-Y878 PolarHBondContact ND2-OH 3.36Å
830	C	92.5	Very high	95.1	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.027	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-17.5	-173.2	-60.2	0	0	0	0	113.9	W752 L814 V816	W752-C830 HydrophobicContact CZ2-CB 3.93Å; W752-C830 PolarHBondContact NE1-O 3.23Å; L814-C830 HydrophobicContact CB-CB 4.15Å; L814-C830 HydrophobicContact CD2-CB 3.81Å; L814-C830 HydrophobicContact CG-CB 3.86Å; L814-C830 WeakPolarHBondContact O-CB 3.23Å; L814-C830 PolarHBondContact O-N 3.26Å; V816-C830 VanDerWaalsContact CG1-SG 3.54Å
831	L	89.5	Confident	94.9	Very high	92 Å²	92	40 Å²	40	48%	0.482	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-47.8	178.6	-57.2	178.2	0	0	0	110.9	L814 N829	L814-L831 HydrophobicContact CB-CD1 4.44Å; L814-L831 HydrophobicContact CB-CG 4.13Å; N829-L831 VanDerWaalsContact C-N 3.26Å; N829-L831 PolarHBondContact O-N 3.01Å; N829-L831 PolarHBondContact OD1-N 3.46Å
832	K	91.1	Very high	94.3	Very high	102 Å²	102	37.8 Å²	37.8	44%	0.443	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-14.3	-179.9	-62.3	172.2	-166.7	154.8	0	113.3	D813 N829 E834 Y878	D813-K832 WeakPolarHBondContact OD1-CE 3.28Å; D813-K832 IonicContact OD1-NZ 3.49Å; D813-K832 PolarHBondContact OD1-NZ 2.87Å; D813-K832 IonicContact OD2-NZ 2.62Å; D813-K832 PolarHBondContact OD2-NZ 3.06Å; N829-K832 HydrophobicContact CB-CB 4.29Å; N829-K832 PolarHBondContact OD1-N 3.09Å; K832-E834 VanDerWaalsContact C-N 3.29Å; K832-E834 HydrophobicContact CB-CG 3.8Å; K832-E834 WeakPolarHBondContact CD-OE1 3.44Å; K832-E834 PolarHBondContact O-N 3.28Å; K832-Y878 PolarHBondContact NZ-OH 2.96Å
833	Q	91.2	Very high	94.1	Very high	25 Å²	25	42.8 Å²	42.8	12%	0.117	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	36.7	-176.2	-57.7	-170.4	9.8	0	0	114.9	K754 F828 N829	K754-Q833 PolarHBondContact NZ-O 3.09Å; F828-Q833 WeakPolarHBondContact CE2-O 3.43Å; F828-Q833 VanDerWaalsContact CZ-CA 3.42Å; F828-Q833 HydrophobicContact CZ-CB 3.9Å; F828-Q833 HydrophobicContact CZ-CG 4.43Å; N829-Q833 VanDerWaalsContact O-CA 3.22Å; N829-Q833 WeakPolarHBondContact O-CA 3.4Å; N829-Q833 PolarHBondContact O-N 2.83Å
834	E	94.2	Very high	93.9	Very high	86 Å²	86	45 Å²	45	40%	0.402	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	153.3	-178	65	-178.2	176.4	0	0	112.3	F828 N829 K832 I836	F828-E834 WeakPolarHBondContact CA-O 3.45Å; F828-E834 WeakPolarHBondContact CD2-O 3.28Å; N829-E834 HydrophobicContact CB-CG 4Å; N829-E834 PolarHBondContact N-O 3.1Å; K832-E834 VanDerWaalsContact C-N 3.29Å; K832-E834 HydrophobicContact CB-CG 3.8Å; K832-E834 WeakPolarHBondContact CD-OE1 3.44Å; K832-E834 PolarHBondContact O-N 3.28Å; E834-I836 HydrophobicContact CG-CD1 3.72Å; E834-I836 WeakPolarHBondContact OE1-CD1 3.23Å
835	I	95.5	Very high	93.9	Very high	88 Å²	88	44.3 Å²	44.3	45%	0.451	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	114.6	172.4	-61.6	170.9	0	0	0	108	F756 L826 V827 F828 A837 A838	F756-I835 HydrophobicContact CD1-CD1 4.47Å; F756-I835 HydrophobicContact CE1-CD1 4.15Å; F756-I835 HydrophobicContact CE1-CG1 4.25Å; L826-I835 HydrophobicContact CD1-CD1 4.22Å; L826-I835 HydrophobicContact CD2-CG2 4.41Å; V827-I835 CarbonylContact O-C 3.54Å; F828-I835 HydrophobicContact CD2-CG1 4.04Å; I835-A837 WeakPolarHBondContact CG2-O 3.43Å; I835-A838 HydrophobicContact CG2-CB 4.42Å
836	I	94.7	Very high	93.8	Very high	42 Å²	42	45.5 Å²	45.5	22%	0.215	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-42.1	179.9	-59.5	-55.5	0	0	0	111.3	L815 V827 N829 E834 Y878	L815-I836 HydrophobicContact CD2-CG1 4.06Å; V827-I836 HydrophobicContact CG1-CB 4.46Å; V827-I836 PolarHBondContact O-N 3.39Å; N829-I836 HydrophobicContact CB-CD1 4.03Å; N829-I836 HydrophobicContact CB-CG1 3.93Å; E834-I836 HydrophobicContact CG-CD1 3.72Å; E834-I836 WeakPolarHBondContact OE1-CD1 3.23Å; I836-Y878 HydrophobicContact CD1-CD1 4.41Å; I836-Y878 HydrophobicContact CD1-CE1 3.73Å; I836-Y878 HydrophobicContact CG1-CE1 4.17Å; I836-Y878 HydrophobicContact CG2-CD1 3.42Å; I836-Y878 VanDerWaalsContact CG2-CD1 3.42Å; I836-Y878 HydrophobicContact CG2-CE1 3.84Å; I836-Y878 HydrophobicContact CG2-CG 4.13Å
837	A	94.2	Very high	93.8	Very high	14 Å²	14	45.4 Å²	45.4	12%	0.116	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	150.3	-179.7	0	0	0	0	0	111.1	L826 V827 I835 Y880	L826-A837 CarbonylContact C-O 3.58Å; L826-A837 WeakPolarHBondContact CA-O 3.24Å; V827-A837 HydrophobicContact CB-CB 4.11Å; V827-A837 HydrophobicContact CG2-CB 4.29Å; V827-A837 PolarHBondContact N-O 2.94Å; V827-A837 PolarHBondContact O-N 2.9Å; I835-A837 WeakPolarHBondContact CG2-O 3.43Å; A837-Y880 HydrophobicContact CB-CD2 4.24Å; A837-Y880 HydrophobicContact CB-CE2 4.45Å
838	A	96.1	Very high	93.8	Very high	59 Å²	59	46.3 Å²	46.3	49%	0.488	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	127.7	176.9	0	0	0	0	0	109.8	L826 I835	L826-A838 HydrophobicContact CD2-CB 3.56Å; I835-A838 HydrophobicContact CG2-CB 4.42Å
839	H	96.9	Very high	93.9	Very high	52 Å²	52	47 Å²	47	24%	0.241	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	173	-172.3	-64.9	-82.6	0	0	0	110.7	R824 W825	R824-H839 WeakPolarHBondContact CA-O 3.34Å; W825-H839 HydrophobicContact CD2-CB 3.78Å; W825-H839 AromaticContact CE2-CG 3.87Å; W825-H839 HydrophobicContact CE3-CB 4.36Å; W825-H839 HydrophobicContact CG-CB 4.25Å; W825-H839 HydrophobicContact CH2-CB 4.1Å; W825-H839 AromaticContact CH2-CD2 3.27Å; W825-H839 WeakPolarHBondContact CH2-CD2 3.39Å; W825-H839 AromaticContact CH2-CG 3.74Å; W825-H839 AromaticContact CH2-NE2 3.87Å; W825-H839 HydrophobicContact CZ2-CB 3.45Å; W825-H839 VanDerWaalsContact CZ2-CB 3.45Å; W825-H839 AromaticContact CZ2-CD2 3.55Å; W825-H839 AromaticContact CZ2-CG 3.49Å; W825-H839 VanDerWaalsContact CZ2-CG 3.49Å; W825-H839 AromaticContact CZ3-CD2 3.56Å; W825-H839 PolarHBondContact N-O 3.34Å; W825-H839 VanDerWaalsContact N-O 3.08Å; W825-H839 PolarHBondContact O-N 2.97Å
840	S	96.2	Very high	94	Very high	76 Å²	76	47.8 Å²	47.8	53%	0.531	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	136.6	178.1	-54	0	0	0	0	111.3
841	D	94.3	Very high	94.3	Very high	10 Å²	10	48.3 Å²	48.3	5%	0.053	27%	0.273	C	S	.	.			trans	-148.2	-166.6	-177	-83.3	-53.7	0	0	0	109.7	G823 W825 L843 G844 Y869 Y871 R882	G823-D841 CarbonylContact C-O 3.59Å; G823-D841 WeakPolarHBondContact CA-O 3.27Å; G823-D841 CarbonylContact O-C 3.51Å; G823-D841 PolarHBondContact O-N 2.96Å; W825-D841 PolarHBondContact NE1-OD2 3.23Å; D841-L843 PolarHBondContact O-N 3.09Å; D841-G844 PolarHBondContact O-N 3.08Å; D841-Y869 HydrophobicContact CB-CD1 4.25Å; D841-Y869 HydrophobicContact CB-CD2 3.94Å; D841-Y869 HydrophobicContact CB-CE1 4.19Å; D841-Y869 HydrophobicContact CB-CE2 3.89Å; D841-Y869 HydrophobicContact CB-CG 4.1Å; D841-Y869 VanDerWaalsContact OD1-CD1 3.27Å; D841-Y869 WeakPolarHBondContact OD1-CD1 3.45Å; D841-Y869 WeakPolarHBondContact OD1-CE1 3.38Å; D841-Y871 WeakPolarHBondContact OD2-CE2 3.23Å; D841-Y871 PolarHBondContact OD2-OH 2.72Å; D841-R882 IonicContact OD1-CZ 3.7Å; D841-R882 IonicContact OD1-NH1 3.69Å; D841-R882 PolarHBondContact OD1-NH1 3.04Å; D841-R882 IonicContact OD1-NH2 2.76Å; D841-R882 PolarHBondContact OD1-NH2 2.62Å; D841-R882 IonicContact OD2-CZ 3.24Å; D841-R882 IonicContact OD2-NH2 3.4Å; D841-R882 PolarHBondContact OD2-NH2 2.64Å
842	G	82.1	Confident	94.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	64.2	8.5	176.5	0	0	0	0	0	115.6	G844 E845 S863 Y869	G842-G844 PolarHBondContact O-N 3.33Å; G842-G844 VanDerWaalsContact O-N 3.09Å; G842-E845 VanDerWaalsContact O-CB 3.3Å; G842-E845 WeakPolarHBondContact O-CB 3.1Å; G842-E845 PolarHBondContact O-N 2.69Å; G842-S863 WeakPolarHBondContact CA-OG 3.22Å; G842-Y869 PolarHBondContact N-OH 3.45Å; G842-Y869 VanDerWaalsContact N-OH 3.1Å
843	L	90.5	Very high	94.9	Very high	159 Å²	159	40 Å²	40	83%	0.832	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	54	24.4	-171.7	-56.7	174.5	0	0	0	114	D841	D841-L843 PolarHBondContact O-N 3.09Å
844	G	91.2	Very high	95.1	Very high	47 Å²	47	41.2 Å²	41.2	49%	0.485	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	92.5	-5.6	-174.7	0	0	0	0	0	115	T822 D841 G842	T822-G844 CarbonylContact C-O 3.55Å; T822-G844 WeakPolarHBondContact O-CA 3.17Å; D841-G844 PolarHBondContact O-N 3.08Å; G842-G844 PolarHBondContact O-N 3.33Å; G842-G844 VanDerWaalsContact O-N 3.09Å
845	E	96	Very high	95	Very high	68 Å²	68	39.7 Å²	39.7	32%	0.318	24%	0.237	S	C	.	.	S	Bend	trans	-79.6	151.1	170.7	-52.8	-94.5	-162.2	0	0	110	K314 G823 G842 S863 R864	K314-E845 IonicContact NZ-OE1 2.78Å; K314-E845 PolarHBondContact NZ-OE1 3.34Å; G823-E845 WeakPolarHBondContact CA-O 3.33Å; G823-E845 PolarHBondContact N-O 3.28Å; G842-E845 VanDerWaalsContact O-CB 3.3Å; G842-E845 WeakPolarHBondContact O-CB 3.1Å; G842-E845 PolarHBondContact O-N 2.69Å; E845-S863 PolarHBondContact O-OG 2.88Å; E845-R864 HydrophobicContact CB-CB 3.92Å
846	Q	96.7	Very high	95	Very high	26 Å²	26	35.5 Å²	35.5	12%	0.121	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-52.1	142.9	-173.9	-179.3	160.7	-74.1	0	0	114.2	H761 S821 E848 S863 R864	H761-Q846 HydrophobicContact CB-CG 4.19Å; H761-Q846 PolarHBondContact CD2-NE2 2.93Å; H761-Q846 PolarHBondContact ND1-NE2 2.98Å; S821-Q846 VanDerWaalsContact CB-OE1 3.24Å; Q846-E848 VanDerWaalsContact CG-OE1 3.25Å; Q846-E848 WeakPolarHBondContact CG-OE1 3.43Å; Q846-E848 PolarHBondContact NE2-OE1 2.88Å; Q846-S863 WeakPolarHBondContact O-CA 3.43Å; Q846-S863 PolarHBondContact O-OG 2.89Å; Q846-R864 HydrophobicContact CB-CG 4.18Å; Q846-R864 PolarHBondContact O-N 3.26Å
847	I	98.2	Very high	95	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	117	164.2	-49.7	-55.8	0	0	0	107.2	H761 C762 T820 V850 L861	H761-I847 PolarHBondContact CD2-O 3Å; H761-I847 VanDerWaalsContact CD2-O 3.31Å; C762-I847 PolarHBondContact SG-O 3.19Å; C762-I847 VanDerWaalsContact SG-O 3.41Å; T820-I847 PolarHBondContact O-N 2.79Å; I847-V850 HydrophobicContact CG2-CG1 3.61Å; I847-L861 HydrophobicContact CG2-CB 4.39Å
848	E	97.1	Very high	95.1	Very high	20 Å²	20	37.4 Å²	37.4	9%	0.093	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-43	-174	-67.8	-68.8	113.7	0	0	112	C762 Q846 G862 R864 I893	C762-E848 WeakPolarHBondContact CB-O 3.39Å; Q846-E848 VanDerWaalsContact CG-OE1 3.25Å; Q846-E848 WeakPolarHBondContact CG-OE1 3.43Å; Q846-E848 PolarHBondContact NE2-OE1 2.88Å; E848-G862 PolarHBondContact N-O 3.27Å; E848-R864 VanDerWaalsContact CD-NE 3.33Å; E848-R864 HydrophobicContact CG-CG 3.68Å; E848-R864 WeakPolarHBondContact OE1-CG 3.21Å; E848-R864 IonicContact OE1-CZ 3.45Å; E848-R864 VanDerWaalsContact OE1-CZ 3.26Å; E848-R864 IonicContact OE1-NE 3.55Å; E848-R864 PolarHBondContact OE1-NE 3.23Å; E848-R864 IonicContact OE1-NH2 2.83Å; E848-R864 PolarHBondContact OE1-NH2 2.74Å; E848-R864 VanDerWaalsContact OE1-NH2 3.08Å; E848-R864 IonicContact OE2-CZ 2.73Å; E848-R864 IonicContact OE2-NE 3.58Å; E848-R864 IonicContact OE2-NH2 3.73Å; E848-R864 PolarHBondContact OE2-NH2 3.41Å; E848-I893 WeakPolarHBondContact CB-O 3.41Å; E848-I893 VanDerWaalsContact CG-O 3.23Å; E848-I893 WeakPolarHBondContact CG-O 3.21Å
849	C	97.9	Very high	95.2	Very high	18 Å²	18	34.6 Å²	34.6	12%	0.122	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	149	-177.4	53.7	0	0	0	0	111.4	G862 L894	C849-G862 PolarHBondContact N-O 3.01Å; C849-G862 PolarHBondContact O-N 2.87Å; C849-L894 PolarHBondContact SG-O 3.43Å
850	V	98.2	Very high	95.3	Very high	15 Å²	15	32.1 Å²	32.1	9%	0.091	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	137.3	179.9	-64.5	0	0	0	0	109.5	C762 A763 A764 V817 I847 A860 L861	C762-V850 HydrophobicContact CB-CG2 4.34Å; A763-V850 VanDerWaalsContact C-CG2 3.45Å; A764-V850 HydrophobicContact CB-CG2 4.05Å; V817-V850 HydrophobicContact CG1-CB 4.15Å; V817-V850 HydrophobicContact CG1-CG2 3.89Å; I847-V850 HydrophobicContact CG2-CG1 3.61Å; V850-A860 WeakPolarHBondContact CA-O 3.28Å; V850-L861 HydrophobicContact CB-CD2 4.03Å; V850-L861 HydrophobicContact CG1-CD2 3.41Å; V850-L861 VanDerWaalsContact CG1-CD2 3.41Å
851	A	98.1	Very high	95.4	Very high	16 Å²	16	28.5 Å²	28.5	13%	0.132	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	128.8	179.7	0	0	0	0	0	111.4	A860 I896 W898	A851-A860 PolarHBondContact N-O 2.75Å; A851-A860 PolarHBondContact O-N 3.49Å; A851-I896 HydrophobicContact CB-CG2 4.16Å; A851-W898 PolarHBondContact O-NE1 2.94Å
852	Y	97.6	Very high	95.6	Very high	20 Å²	20	28 Å²	28	8%	0.078	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	151.1	165.5	-69	-81.5	0	0	0	110.8	A764 F765 Y766 V817 Y858 L859 V873 Y880 W898	A764-Y852 HydrophobicContact CB-CD2 4.16Å; A764-Y852 HydrophobicContact CB-CE2 4.43Å; F765-Y852 WeakPolarHBondContact O-CD2 3.38Å; Y766-Y852 AromaticContact CD2-CD1 3.89Å; Y766-Y852 HydrophobicContact CD2-CD1 3.89Å; Y766-Y852 AromaticContact CD2-CE1 3.65Å; Y766-Y852 HydrophobicContact CD2-CE1 3.65Å; Y766-Y852 HydrophobicContact CD2-CG 4.42Å; Y766-Y852 AromaticContact CD2-CZ 3.98Å; Y766-Y852 HydrophobicContact CE2-CD1 4.37Å; Y766-Y852 HydrophobicContact CE2-CE1 4.33Å; V817-Y852 HydrophobicContact CB-CE2 4.17Å; V817-Y852 HydrophobicContact CG1-CD2 4.43Å; V817-Y852 HydrophobicContact CG1-CE2 3.63Å; Y852-Y858 CarbonylContact C-O 3.5Å; Y852-Y858 VanDerWaalsContact CA-O 3.3Å; Y852-Y858 WeakPolarHBondContact CA-O 3.26Å; Y852-L859 HydrophobicContact CD1-CB 3.94Å; Y852-L859 HydrophobicContact CD1-CD1 4.11Å; Y852-L859 HydrophobicContact CD1-CG 4.5Å; Y852-L859 HydrophobicContact CD2-CD1 4.46Å; Y852-L859 HydrophobicContact CE1-CB 3.99Å; Y852-L859 HydrophobicContact CE1-CD1 4.09Å; Y852-L859 HydrophobicContact CE1-CD2 4.17Å; Y852-L859 HydrophobicContact CE1-CG 4.31Å; Y852-L859 HydrophobicContact CE2-CD1 4.46Å; Y852-L859 HydrophobicContact CG-CD1 4.3Å; Y852-V873 HydrophobicContact CD1-CG2 4.12Å; Y852-V873 HydrophobicContact CE1-CG1 4.29Å; Y852-V873 HydrophobicContact CE1-CG2 4.04Å; Y852-Y880 HydrophobicContact CE1-CE1 4.1Å; Y852-Y880 PolarHBondContact OH-OH 2.97Å; Y852-Y880 VanDerWaalsContact OH-OH 3.11Å; Y852-W898 PolarHBondContact O-NE1 3.38Å
853	S	97.1	Very high	96.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.			trans	-67.3	154.3	165.6	57.8	0	0	0	0	110.7	D855 G856 N857 Y858	S853-D855 VanDerWaalsContact CB-OD1 3.28Å; S853-D855 WeakPolarHBondContact CB-OD1 3.49Å; S853-D855 PolarHBondContact O-N 2.73Å; S853-D855 VanDerWaalsContact O-N 3.12Å; S853-D855 PolarHBondContact OG-OD1 2.8Å; S853-G856 PolarHBondContact O-N 2.99Å; S853-N857 PolarHBondContact OG-N 2.85Å; S853-Y858 PolarHBondContact N-O 3.46Å; S853-Y858 PolarHBondContact OG-N 3.02Å; S853-Y858 PolarHBondContact OG-O 2.71Å
854	P	94.8	Very high	96.7	Very high	49 Å²	49	24.1 Å²	24.1	32%	0.318	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.9	-174.7	-25.8	36.1	0	0	0	114.7	A937	P854-A937 HydrophobicContact CG-CB 3.54Å
855	D	92.4	Very high	97	Very high	54 Å²	54	23.4 Å²	23.4	29%	0.289	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-6.3	177.4	67.2	-11.6	0	0	0	114	S853 N857	S853-D855 VanDerWaalsContact CB-OD1 3.28Å; S853-D855 WeakPolarHBondContact CB-OD1 3.49Å; S853-D855 PolarHBondContact O-N 2.73Å; S853-D855 VanDerWaalsContact O-N 3.12Å; S853-D855 PolarHBondContact OG-OD1 2.8Å; D855-N857 VanDerWaalsContact C-N 3.27Å; D855-N857 VanDerWaalsContact CG-ND2 3.25Å; D855-N857 PolarHBondContact O-N 3.07Å; D855-N857 PolarHBondContact OD1-N 2.79Å; D855-N857 VanDerWaalsContact OD1-N 3.1Å; D855-N857 WeakPolarHBondContact OD2-CB 3.38Å; D855-N857 PolarHBondContact OD2-ND2 3.33Å
856	G	94.1	Very high	97	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	68.7	18.3	-177.7	0	0	0	0	0	115	Y766 P767 S853	Y766-G856 VanDerWaalsContact CE2-O 3.24Å; Y766-G856 WeakPolarHBondContact CE2-O 3.21Å; Y766-G856 PolarHBondContact OH-O 3.36Å; P767-G856 VanDerWaalsContact CG-CA 3.48Å; S853-G856 PolarHBondContact O-N 2.99Å
857	N	95.3	Very high	97.1	Very high	65 Å²	65	21.9 Å²	21.9	35%	0.348	11%	0.114	S	C	.	.	S	Bend	trans	-94.3	-16.8	178.1	-70	-46.8	0	0	0	113.8	S853 D855 V873	S853-N857 PolarHBondContact OG-N 2.85Å; D855-N857 VanDerWaalsContact C-N 3.27Å; D855-N857 VanDerWaalsContact CG-ND2 3.25Å; D855-N857 PolarHBondContact O-N 3.07Å; D855-N857 PolarHBondContact OD1-N 2.79Å; D855-N857 VanDerWaalsContact OD1-N 3.1Å; D855-N857 WeakPolarHBondContact OD2-CB 3.38Å; D855-N857 PolarHBondContact OD2-ND2 3.33Å; N857-V873 PolarHBondContact O-N 2.64Å
858	Y	97.5	Very high	97.1	Very high	31 Å²	31	21.9 Å²	21.9	12%	0.122	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	156.5	177.6	-63.6	-88.1	0	0	0	113	Y852 S853 V870 Y871 N872 V873 V883 W898	Y852-Y858 CarbonylContact C-O 3.5Å; Y852-Y858 VanDerWaalsContact CA-O 3.3Å; Y852-Y858 WeakPolarHBondContact CA-O 3.26Å; S853-Y858 PolarHBondContact N-O 3.46Å; S853-Y858 PolarHBondContact OG-N 3.02Å; S853-Y858 PolarHBondContact OG-O 2.71Å; Y858-V870 HydrophobicContact CD1-CG1 4Å; Y858-Y871 CarbonylContact C-O 3.54Å; Y858-Y871 WeakPolarHBondContact CA-O 3.35Å; Y858-N872 WeakPolarHBondContact CE1-OD1 3.39Å; Y858-V873 VanDerWaalsContact C-CG2 3.45Å; Y858-V883 HydrophobicContact CD1-CG2 4.23Å; Y858-V883 HydrophobicContact CE1-CG2 4Å; Y858-W898 HydrophobicContact CD2-CH2 4.47Å; Y858-W898 AromaticContact CG-CH2 3.93Å; Y858-W898 HydrophobicContact CG-CH2 3.93Å; Y858-W898 HydrophobicContact CG-CZ3 4.42Å
859	L	98.1	Very high	97.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	126.8	171.6	169.9	61.1	0	0	0	108.9	V817 W825 Y852 L861 V870 Y871 V873 Y880	V817-L859 HydrophobicContact CG1-CD1 4.06Å; V817-L859 HydrophobicContact CG2-CD2 4.17Å; W825-L859 HydrophobicContact CE3-CD2 4.33Å; W825-L859 HydrophobicContact CH2-CD2 4.08Å; W825-L859 HydrophobicContact CZ3-CD2 3.77Å; Y852-L859 HydrophobicContact CD1-CB 3.94Å; Y852-L859 HydrophobicContact CD1-CD1 4.11Å; Y852-L859 HydrophobicContact CD1-CG 4.5Å; Y852-L859 HydrophobicContact CD2-CD1 4.46Å; Y852-L859 HydrophobicContact CE1-CB 3.99Å; Y852-L859 HydrophobicContact CE1-CD1 4.09Å; Y852-L859 HydrophobicContact CE1-CD2 4.17Å; Y852-L859 HydrophobicContact CE1-CG 4.31Å; Y852-L859 HydrophobicContact CE2-CD1 4.46Å; Y852-L859 HydrophobicContact CG-CD1 4.3Å; L859-L861 HydrophobicContact CD1-CD2 3.86Å; L859-L861 HydrophobicContact CD2-CD2 4.01Å; L859-L861 HydrophobicContact CG-CD2 3.82Å; L859-L861 HydrophobicContact CG-CG 4.34Å; L859-V870 WeakPolarHBondContact O-CA 3.41Å; L859-Y871 PolarHBondContact N-O 3.49Å; L859-Y871 PolarHBondContact O-N 3.17Å; L859-V873 HydrophobicContact CB-CG2 3.6Å; L859-Y880 HydrophobicContact CB-CE1 4.47Å; L859-Y880 HydrophobicContact CD2-CD1 3.86Å; L859-Y880 HydrophobicContact CD2-CE1 3.64Å
860	A	98.6	Very high	97.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.9	173.1	0	0	0	0	0	110.7	V850 A851 I868 Y869 I896 W898 I905	V850-A860 WeakPolarHBondContact CA-O 3.28Å; A851-A860 PolarHBondContact N-O 2.75Å; A851-A860 PolarHBondContact O-N 3.49Å; A860-I868 HydrophobicContact CB-CG2 4.11Å; A860-Y869 CarbonylContact C-O 3.58Å; A860-Y869 WeakPolarHBondContact CA-O 3.47Å; A860-I896 HydrophobicContact CB-CD1 4.38Å; A860-I896 HydrophobicContact CB-CG2 4.06Å; A860-W898 HydrophobicContact CB-CZ2 3.64Å; A860-I905 HydrophobicContact CB-CD1 4.09Å
861	L	98.5	Very high	97.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	114.3	-179.1	-45.9	168.4	0	0	0	109	W825 I847 V850 L859 I868 Y869 Y871	W825-L861 HydrophobicContact CD2-CD1 3.83Å; W825-L861 HydrophobicContact CD2-CD2 4.5Å; W825-L861 VanDerWaalsContact CE2-CD1 3.4Å; W825-L861 HydrophobicContact CG-CD1 3.94Å; W825-L861 HydrophobicContact CZ2-CD1 3.95Å; I847-L861 HydrophobicContact CG2-CB 4.39Å; V850-L861 HydrophobicContact CB-CD2 4.03Å; V850-L861 HydrophobicContact CG1-CD2 3.41Å; V850-L861 VanDerWaalsContact CG1-CD2 3.41Å; L859-L861 HydrophobicContact CD1-CD2 3.86Å; L859-L861 HydrophobicContact CD2-CD2 4.01Å; L859-L861 HydrophobicContact CG-CD2 3.82Å; L859-L861 HydrophobicContact CG-CG 4.34Å; L861-I868 CarbonylContact O-C 3.53Å; L861-I868 VanDerWaalsContact O-CA 3.28Å; L861-I868 WeakPolarHBondContact O-CA 3.47Å; L861-Y869 PolarHBondContact N-O 2.97Å; L861-Y869 PolarHBondContact O-N 2.77Å; L861-Y871 HydrophobicContact CD1-CD2 4.07Å; L861-Y871 HydrophobicContact CD1-CE2 3.82Å
862	G	98.3	Very high	97.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132.3	174.9	0	0	0	0	0	111.4	E848 C849	E848-G862 PolarHBondContact N-O 3.27Å; C849-G862 PolarHBondContact N-O 3.01Å; C849-G862 PolarHBondContact O-N 2.87Å
863	S	98.1	Very high	97.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	162.6	-176.2	-178.7	0	0	0	0	113.8	G842 E845 Q846 D865 N866 V867 I893	G842-S863 WeakPolarHBondContact CA-OG 3.22Å; E845-S863 PolarHBondContact O-OG 2.88Å; Q846-S863 WeakPolarHBondContact O-CA 3.43Å; Q846-S863 PolarHBondContact O-OG 2.89Å; S863-D865 WeakPolarHBondContact CB-OD1 3.37Å; S863-D865 PolarHBondContact O-N 2.72Å; S863-N866 PolarHBondContact O-N 2.94Å; S863-V867 PolarHBondContact N-O 3.06Å; S863-V867 VanDerWaalsContact N-O 3.11Å; S863-I893 PolarHBondContact O-N 2.87Å
864	R	97	Very high	96.9	Very high	78 Å²	78	24.5 Å²	24.5	29%	0.294	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-6.1	170.8	-73.5	-165.1	-177.7	-94.2	-17.9	115	E845 Q846 E848 N866 F892	E845-R864 HydrophobicContact CB-CB 3.92Å; Q846-R864 HydrophobicContact CB-CG 4.18Å; Q846-R864 PolarHBondContact O-N 3.26Å; E848-R864 VanDerWaalsContact CD-NE 3.33Å; E848-R864 HydrophobicContact CG-CG 3.68Å; E848-R864 WeakPolarHBondContact OE1-CG 3.21Å; E848-R864 IonicContact OE1-CZ 3.45Å; E848-R864 VanDerWaalsContact OE1-CZ 3.26Å; E848-R864 IonicContact OE1-NE 3.55Å; E848-R864 PolarHBondContact OE1-NE 3.23Å; E848-R864 IonicContact OE1-NH2 2.83Å; E848-R864 PolarHBondContact OE1-NH2 2.74Å; E848-R864 VanDerWaalsContact OE1-NH2 3.08Å; E848-R864 IonicContact OE2-CZ 2.73Å; E848-R864 IonicContact OE2-NE 3.58Å; E848-R864 IonicContact OE2-NH2 3.73Å; E848-R864 PolarHBondContact OE2-NH2 3.41Å; R864-N866 PolarHBondContact O-N 2.81Å; R864-F892 HydrophobicContact CB-CB 4.25Å; R864-F892 HydrophobicContact CG-CB 4.1Å
865	D	96.8	Very high	96.8	Very high	31 Å²	31	27.9 Å²	27.9	17%	0.166	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	5.5	170.7	84.1	-29.8	0	0	0	114.3	S863 V867 Y869	S863-D865 WeakPolarHBondContact CB-OD1 3.37Å; S863-D865 PolarHBondContact O-N 2.72Å; D865-V867 VanDerWaalsContact C-N 3.32Å; D865-V867 VanDerWaalsContact OD1-CB 3.22Å; D865-V867 WeakPolarHBondContact OD1-CB 3.13Å; D865-V867 PolarHBondContact OD1-N 2.83Å; D865-V867 WeakPolarHBondContact OD2-CG2 3.37Å; D865-Y869 PolarHBondContact OD2-OH 2.78Å; D865-Y869 VanDerWaalsContact OD2-OH 3.06Å
866	N	97.5	Very high	96.6	Very high	51 Å²	51	32.6 Å²	32.6	27%	0.273	15%	0.15	S	C	.	.	S	Bend	trans	73.7	10.8	-176.2	-46.2	-4.1	0	0	0	115	S863 R864 T890 S891 F892	S863-N866 PolarHBondContact O-N 2.94Å; R864-N866 PolarHBondContact O-N 2.81Å; N866-T890 PolarHBondContact ND2-O 2.87Å; N866-S891 WeakPolarHBondContact CB-O 3.42Å; N866-S891 VanDerWaalsContact CG-O 3.3Å; N866-S891 PolarHBondContact ND2-N 3.03Å; N866-S891 WeakPolarHBondContact OD1-CA 3.16Å; N866-S891 PolarHBondContact OD1-O 3.12Å; N866-F892 PolarHBondContact OD1-N 3Å; N866-F892 VanDerWaalsContact OD1-N 3.15Å
867	V	98.1	Very high	96.5	Very high	11 Å²	11	32.6 Å²	32.6	7%	0.067	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	147.5	-177.2	-177.1	0	0	0	0	111	S863 D865 Y869 R885	S863-V867 PolarHBondContact N-O 3.06Å; S863-V867 VanDerWaalsContact N-O 3.11Å; D865-V867 VanDerWaalsContact C-N 3.32Å; D865-V867 VanDerWaalsContact OD1-CB 3.22Å; D865-V867 WeakPolarHBondContact OD1-CB 3.13Å; D865-V867 PolarHBondContact OD1-N 2.83Å; D865-V867 WeakPolarHBondContact OD2-CG2 3.37Å; V867-Y869 HydrophobicContact CB-CD2 4.47Å; V867-Y869 HydrophobicContact CB-CE2 3.94Å; V867-Y869 HydrophobicContact CG1-CD1 4.46Å; V867-Y869 HydrophobicContact CG1-CD2 4.12Å; V867-Y869 HydrophobicContact CG1-CE1 4.26Å; V867-Y869 HydrophobicContact CG1-CE2 3.89Å; V867-Y869 HydrophobicContact CG1-CG 4.42Å; V867-R885 HydrophobicContact CG1-CB 3.66Å; V867-R885 HydrophobicContact CG1-CG 4.42Å
868	I	98.6	Very high	96.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.4	162.5	-52.8	169.4	0	0	0	108.5	A860 L861 R885 C886 I893 I896 S907	A860-I868 HydrophobicContact CB-CG2 4.11Å; L861-I868 CarbonylContact O-C 3.53Å; L861-I868 VanDerWaalsContact O-CA 3.28Å; L861-I868 WeakPolarHBondContact O-CA 3.47Å; I868-R885 CarbonylContact O-C 3.56Å; I868-R885 WeakPolarHBondContact O-CA 3.48Å; I868-C886 HydrophobicContact CB-CB 4.07Å; I868-C886 PolarHBondContact N-O 2.69Å; I868-C886 PolarHBondContact O-N 2.6Å; I868-I893 HydrophobicContact CD1-CD1 4.26Å; I868-I893 HydrophobicContact CD1-CG2 4.28Å; I868-I893 HydrophobicContact CG1-CD1 3.87Å; I868-I893 HydrophobicContact CG1-CG1 3.81Å; I868-I893 HydrophobicContact CG1-CG2 4.14Å; I868-I896 HydrophobicContact CB-CD1 4.45Å; I868-I896 HydrophobicContact CD1-CD1 4.04Å; I868-I896 HydrophobicContact CD1-CG1 4.1Å; I868-I896 HydrophobicContact CG1-CD1 4.02Å; I868-I896 HydrophobicContact CG2-CD1 3.63Å; I868-S907 VanDerWaalsContact CD1-CB 3.42Å; I868-S907 WeakPolarHBondContact CD1-OG 3.32Å
869	Y	98.4	Very high	96.2	Very high	12 Å²	12	35.7 Å²	35.7	5%	0.047	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	134.7	175.8	-62.1	-93.6	0	0	0	109.5	D841 G842 A860 L861 D865 V867 R885	D841-Y869 HydrophobicContact CB-CD1 4.25Å; D841-Y869 HydrophobicContact CB-CD2 3.94Å; D841-Y869 HydrophobicContact CB-CE1 4.19Å; D841-Y869 HydrophobicContact CB-CE2 3.89Å; D841-Y869 HydrophobicContact CB-CG 4.1Å; D841-Y869 VanDerWaalsContact OD1-CD1 3.27Å; D841-Y869 WeakPolarHBondContact OD1-CD1 3.45Å; D841-Y869 WeakPolarHBondContact OD1-CE1 3.38Å; G842-Y869 PolarHBondContact N-OH 3.45Å; G842-Y869 VanDerWaalsContact N-OH 3.1Å; A860-Y869 CarbonylContact C-O 3.58Å; A860-Y869 WeakPolarHBondContact CA-O 3.47Å; L861-Y869 PolarHBondContact N-O 2.97Å; L861-Y869 PolarHBondContact O-N 2.77Å; D865-Y869 PolarHBondContact OD2-OH 2.78Å; D865-Y869 VanDerWaalsContact OD2-OH 3.06Å; V867-Y869 HydrophobicContact CB-CD2 4.47Å; V867-Y869 HydrophobicContact CB-CE2 3.94Å; V867-Y869 HydrophobicContact CG1-CD1 4.46Å; V867-Y869 HydrophobicContact CG1-CD2 4.12Å; V867-Y869 HydrophobicContact CG1-CE1 4.26Å; V867-Y869 HydrophobicContact CG1-CE2 3.89Å; V867-Y869 HydrophobicContact CG1-CG 4.42Å; Y869-R885 HydrophobicContact CD1-CB 4.41Å
870	V	98.5	Very high	96.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.4	179.5	-175.3	0	0	0	0	109.7	Y858 L859 V883 G884 W898 I905	Y858-V870 HydrophobicContact CD1-CG1 4Å; L859-V870 WeakPolarHBondContact O-CA 3.41Å; V870-V883 HydrophobicContact CB-CB 4.41Å; V870-V883 HydrophobicContact CG1-CB 4.28Å; V870-V883 HydrophobicContact CG1-CG2 4.35Å; V870-V883 PolarHBondContact O-N 2.86Å; V870-G884 PolarHBondContact N-O 2.84Å; V870-G884 PolarHBondContact O-N 3.19Å; V870-W898 HydrophobicContact CG1-CH2 4.47Å; V870-I905 HydrophobicContact CG2-CD1 4Å
871	Y	98.2	Very high	96.1	Very high	6 Å²	6	40.1 Å²	40.1	2%	0.024	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.4	179.4	-76.4	-98.8	0	0	0	110.7	W825 D841 Y858 L859 L861 N881 R882	W825-Y871 HydrophobicContact CH2-CD1 4.4Å; W825-Y871 HydrophobicContact CH2-CE1 4.4Å; W825-Y871 HydrophobicContact CH2-CG 4.46Å; W825-Y871 HydrophobicContact CZ2-CD1 4.18Å; W825-Y871 AromaticContact CZ2-CD2 4Å; W825-Y871 HydrophobicContact CZ2-CD2 4Å; W825-Y871 AromaticContact CZ2-CE1 3.82Å; W825-Y871 HydrophobicContact CZ2-CE1 3.82Å; W825-Y871 AromaticContact CZ2-CE2 3.6Å; W825-Y871 HydrophobicContact CZ2-CE2 3.6Å; W825-Y871 HydrophobicContact CZ2-CG 4.27Å; W825-Y871 AromaticContact CZ2-CZ 3.5Å; W825-Y871 VanDerWaalsContact CZ2-CZ 3.5Å; D841-Y871 WeakPolarHBondContact OD2-CE2 3.23Å; D841-Y871 PolarHBondContact OD2-OH 2.72Å; Y858-Y871 CarbonylContact C-O 3.54Å; Y858-Y871 WeakPolarHBondContact CA-O 3.35Å; L859-Y871 PolarHBondContact N-O 3.49Å; L859-Y871 PolarHBondContact O-N 3.17Å; L861-Y871 HydrophobicContact CD1-CD2 4.07Å; L861-Y871 HydrophobicContact CD1-CE2 3.82Å; Y871-N881 CarbonylContact C-O 3.56Å; Y871-N881 WeakPolarHBondContact CA-O 3.41Å; Y871-R882 VanDerWaalsContact CD1-CA 3.48Å; Y871-R882 HydrophobicContact CD1-CB 3.93Å; Y871-R882 HydrophobicContact CD1-CG 4.43Å; Y871-R882 HydrophobicContact CE1-CB 3.6Å; Y871-R882 HydrophobicContact CE1-CG 4.05Å; Y871-R882 HydrophobicContact CE2-CG 4.21Å; Y871-R882 PolarHBondContact OH-NE 2.89Å; Y871-R882 VanDerWaalsContact OH-NE 3.15Å; Y871-R882 PolarHBondContact OH-NH2 2.87Å
872	N	97.1	Very high	96	Very high	56 Å²	56	46.1 Å²	46.1	30%	0.299	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	131.4	159.4	-75.2	-26.7	0	0	0	107.5	Y858 Y880 N881 V883	Y858-N872 WeakPolarHBondContact CE1-OD1 3.39Å; N872-Y880 WeakPolarHBondContact O-CA 3.27Å; N872-N881 HydrophobicContact CB-CB 4.36Å; N872-N881 PolarHBondContact N-O 2.73Å; N872-N881 PolarHBondContact O-N 2.85Å; N872-V883 HydrophobicContact CB-CG2 4.21Å; N872-V883 VanDerWaalsContact CG-CG2 3.44Å; N872-V883 WeakPolarHBondContact OD1-CG2 3.37Å
873	V	95.9	Very high	96	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.024	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116.9	177.8	-173.5	0	0	0	0	107.9	Y766 Y852 N857 Y858 L859 Y880	Y766-V873 HydrophobicContact CD2-CG1 4.25Å; Y766-V873 HydrophobicContact CE2-CG1 3.63Å; Y852-V873 HydrophobicContact CD1-CG2 4.12Å; Y852-V873 HydrophobicContact CE1-CG1 4.29Å; Y852-V873 HydrophobicContact CE1-CG2 4.04Å; N857-V873 PolarHBondContact O-N 2.64Å; Y858-V873 VanDerWaalsContact C-CG2 3.45Å; L859-V873 HydrophobicContact CB-CG2 3.6Å; V873-Y880 HydrophobicContact CB-CE1 4.24Å; V873-Y880 HydrophobicContact CG1-CD1 4.43Å; V873-Y880 HydrophobicContact CG1-CE1 3.74Å; V873-Y880 HydrophobicContact CG2-CD1 3.95Å; V873-Y880 HydrophobicContact CG2-CE1 3.67Å
874	L	93.9	Very high	95.9	Very high	66 Å²	66	49.4 Å²	49.4	35%	0.346	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	165.6	-172.3	-58.7	177.4	0	0	0	110	R876 G877 Y878 K879 N881	L874-R876 PolarHBondContact O-N 2.63Å; L874-R876 VanDerWaalsContact O-N 3.15Å; L874-G877 PolarHBondContact O-N 2.87Å; L874-G877 VanDerWaalsContact O-N 3.12Å; L874-Y878 PolarHBondContact O-N 3.07Å; L874-K879 HydrophobicContact CB-CB 4.13Å; L874-K879 HydrophobicContact CB-CD 4.42Å; L874-K879 HydrophobicContact CB-CG 4.33Å; L874-K879 PolarHBondContact N-O 2.84Å; L874-K879 PolarHBondContact O-N 3.25Å; L874-N881 HydrophobicContact CD1-CB 4.44Å; L874-N881 WeakPolarHBondContact CD1-ND2 3.47Å
875	E	91.5	Very high	96	Very high	120 Å²	120	53.1 Å²	53.1	56%	0.561	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	54	39.1	172.4	-67.5	163.6	-152.1	0	0	112.4	Y878 K879	E875-Y878 WeakPolarHBondContact O-CB 3.39Å; E875-Y878 WeakPolarHBondContact O-CD2 3.3Å; E875-Y878 PolarHBondContact O-N 3.17Å; E875-K879 HydrophobicContact CB-CB 4.26Å; E875-K879 HydrophobicContact CG-CD 4.32Å; E875-K879 WeakPolarHBondContact OE1-CD 3.37Å; E875-K879 WeakPolarHBondContact OE1-CE 3.21Å; E875-K879 IonicContact OE1-NZ 2.65Å; E875-K879 PolarHBondContact OE1-NZ 2.98Å; E875-K879 VanDerWaalsContact OE2-CD 3.29Å; E875-K879 WeakPolarHBondContact OE2-CD 3.34Å; E875-K879 IonicContact OE2-NZ 3.75Å
876	R	88.7	Confident	96	Very high	152 Å²	152	51.8 Å²	51.8	57%	0.574	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	57.7	43.3	-178.1	-57	-171.3	155.5	151.2	-3.2	114.4	L874	L874-R876 PolarHBondContact O-N 2.63Å; L874-R876 VanDerWaalsContact O-N 3.15Å
877	G	91.7	Very high	96	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	87.5	4.5	178.6	0	0	0	0	0	114.6	L815 L874 Y880	L815-G877 WeakPolarHBondContact CD1-O 3.49Å; L874-G877 PolarHBondContact O-N 2.87Å; L874-G877 VanDerWaalsContact O-N 3.12Å; G877-Y880 WeakPolarHBondContact CA-OH 3.4Å; G877-Y880 WeakPolarHBondContact O-CE2 3.47Å; G877-Y880 VanDerWaalsContact O-CZ 3.29Å; G877-Y880 PolarHBondContact O-OH 3.23Å
878	Y	93.2	Very high	95.9	Very high	77 Å²	77	53.4 Å²	53.4	30%	0.302	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-14	175.5	-83.5	-96.1	0	0	0	114.1	D813 L815 N829 K832 I836 L874 E875	D813-Y878 HydrophobicContact CB-CE2 4.27Å; D813-Y878 WeakPolarHBondContact CB-OH 3.43Å; D813-Y878 PolarHBondContact OD2-OH 3.37Å; L815-Y878 HydrophobicContact CD1-CD2 3.98Å; L815-Y878 HydrophobicContact CD1-CE2 3.94Å; L815-Y878 HydrophobicContact CD2-CE2 4.48Å; N829-Y878 PolarHBondContact ND2-OH 3.36Å; K832-Y878 PolarHBondContact NZ-OH 2.96Å; I836-Y878 HydrophobicContact CD1-CD1 4.41Å; I836-Y878 HydrophobicContact CD1-CE1 3.73Å; I836-Y878 HydrophobicContact CG1-CE1 4.17Å; I836-Y878 HydrophobicContact CG2-CD1 3.42Å; I836-Y878 VanDerWaalsContact CG2-CD1 3.42Å; I836-Y878 HydrophobicContact CG2-CE1 3.84Å; I836-Y878 HydrophobicContact CG2-CG 4.13Å; L874-Y878 PolarHBondContact O-N 3.07Å; E875-Y878 WeakPolarHBondContact O-CB 3.39Å; E875-Y878 WeakPolarHBondContact O-CD2 3.3Å; E875-Y878 PolarHBondContact O-N 3.17Å
879	K	94.8	Very high	95.8	Very high	84 Å²	84	53.9 Å²	53.9	37%	0.365	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	139.1	-169.9	-177.5	174.6	-177.9	170.8	0	113.1	L874 E875	L874-K879 HydrophobicContact CB-CB 4.13Å; L874-K879 HydrophobicContact CB-CD 4.42Å; L874-K879 HydrophobicContact CB-CG 4.33Å; L874-K879 PolarHBondContact N-O 2.84Å; L874-K879 PolarHBondContact O-N 3.25Å; E875-K879 HydrophobicContact CB-CB 4.26Å; E875-K879 HydrophobicContact CG-CD 4.32Å; E875-K879 WeakPolarHBondContact OE1-CD 3.37Å; E875-K879 WeakPolarHBondContact OE1-CE 3.21Å; E875-K879 IonicContact OE1-NZ 2.65Å; E875-K879 PolarHBondContact OE1-NZ 2.98Å; E875-K879 VanDerWaalsContact OE2-CD 3.29Å; E875-K879 WeakPolarHBondContact OE2-CD 3.34Å; E875-K879 IonicContact OE2-NZ 3.75Å
880	Y	97.2	Very high	95.6	Very high	14 Å²	14	57.2 Å²	57.2	6%	0.055	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	117.3	-170	-62.9	-93.6	0	0	0	111.3	W825 V827 A837 Y852 L859 N872 V873 G877	W825-Y880 AromaticContact CH2-CD1 3.82Å; W825-Y880 HydrophobicContact CH2-CD1 3.82Å; W825-Y880 HydrophobicContact CH2-CD2 4.43Å; W825-Y880 AromaticContact CH2-CG 3.76Å; W825-Y880 HydrophobicContact CH2-CG 3.76Å; W825-Y880 HydrophobicContact CZ3-CD1 4.08Å; W825-Y880 HydrophobicContact CZ3-CD2 4.49Å; W825-Y880 HydrophobicContact CZ3-CE1 4.42Å; W825-Y880 HydrophobicContact CZ3-CG 4.14Å; V827-Y880 HydrophobicContact CB-CE2 4.33Å; V827-Y880 HydrophobicContact CG1-CE2 4.37Å; V827-Y880 HydrophobicContact CG2-CD2 4.36Å; V827-Y880 HydrophobicContact CG2-CE1 4.45Å; V827-Y880 HydrophobicContact CG2-CE2 3.66Å; A837-Y880 HydrophobicContact CB-CD2 4.24Å; A837-Y880 HydrophobicContact CB-CE2 4.45Å; Y852-Y880 HydrophobicContact CE1-CE1 4.1Å; Y852-Y880 PolarHBondContact OH-OH 2.97Å; Y852-Y880 VanDerWaalsContact OH-OH 3.11Å; L859-Y880 HydrophobicContact CB-CE1 4.47Å; L859-Y880 HydrophobicContact CD2-CD1 3.86Å; L859-Y880 HydrophobicContact CD2-CE1 3.64Å; N872-Y880 WeakPolarHBondContact O-CA 3.27Å; V873-Y880 HydrophobicContact CB-CE1 4.24Å; V873-Y880 HydrophobicContact CG1-CD1 4.43Å; V873-Y880 HydrophobicContact CG1-CE1 3.74Å; V873-Y880 HydrophobicContact CG2-CD1 3.95Å; V873-Y880 HydrophobicContact CG2-CE1 3.67Å; G877-Y880 WeakPolarHBondContact CA-OH 3.4Å; G877-Y880 WeakPolarHBondContact O-CE2 3.47Å; G877-Y880 VanDerWaalsContact O-CZ 3.29Å; G877-Y880 PolarHBondContact O-OH 3.23Å
881	N	96.4	Very high	95.5	Very high	79 Å²	79	57.8 Å²	57.8	42%	0.422	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.9	176.4	-75.4	-3.1	0	0	0	109.3	Y871 N872 L874 V883	Y871-N881 CarbonylContact C-O 3.56Å; Y871-N881 WeakPolarHBondContact CA-O 3.41Å; N872-N881 HydrophobicContact CB-CB 4.36Å; N872-N881 PolarHBondContact N-O 2.73Å; N872-N881 PolarHBondContact O-N 2.85Å; L874-N881 HydrophobicContact CD1-CB 4.44Å; L874-N881 WeakPolarHBondContact CD1-ND2 3.47Å; N881-V883 PolarHBondContact O-N 2.98Å
882	R	97	Very high	95.4	Very high	126 Å²	126	58.9 Å²	58.9	48%	0.475	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	124.5	-178.4	-162.3	-177.8	-58.6	-147.4	-3.7	110.8	D841 Y871	D841-R882 IonicContact OD1-CZ 3.7Å; D841-R882 IonicContact OD1-NH1 3.69Å; D841-R882 PolarHBondContact OD1-NH1 3.04Å; D841-R882 IonicContact OD1-NH2 2.76Å; D841-R882 PolarHBondContact OD1-NH2 2.62Å; D841-R882 IonicContact OD2-CZ 3.24Å; D841-R882 IonicContact OD2-NH2 3.4Å; D841-R882 PolarHBondContact OD2-NH2 2.64Å; Y871-R882 VanDerWaalsContact CD1-CA 3.48Å; Y871-R882 HydrophobicContact CD1-CB 3.93Å; Y871-R882 HydrophobicContact CD1-CG 4.43Å; Y871-R882 HydrophobicContact CE1-CB 3.6Å; Y871-R882 HydrophobicContact CE1-CG 4.05Å; Y871-R882 HydrophobicContact CE2-CG 4.21Å; Y871-R882 PolarHBondContact OH-NE 2.89Å; Y871-R882 VanDerWaalsContact OH-NE 3.15Å; Y871-R882 PolarHBondContact OH-NH2 2.87Å
883	V	97.1	Very high	95.4	Very high	47 Å²	47	56.2 Å²	56.2	29%	0.285	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-47.9	173.5	177.4	0	0	0	0	109.4	Y858 V870 N872 N881 F920	Y858-V883 HydrophobicContact CD1-CG2 4.23Å; Y858-V883 HydrophobicContact CE1-CG2 4Å; V870-V883 HydrophobicContact CB-CB 4.41Å; V870-V883 HydrophobicContact CG1-CB 4.28Å; V870-V883 HydrophobicContact CG1-CG2 4.35Å; V870-V883 PolarHBondContact O-N 2.86Å; N872-V883 HydrophobicContact CB-CG2 4.21Å; N872-V883 VanDerWaalsContact CG-CG2 3.44Å; N872-V883 WeakPolarHBondContact OD1-CG2 3.37Å; N881-V883 PolarHBondContact O-N 2.98Å; V883-F920 WeakPolarHBondContact CG1-O 3.33Å
884	G	97.4	Very high	95.4	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	172.7	-152.4	-175.5	0	0	0	0	0	112.3	V870	V870-G884 PolarHBondContact N-O 2.84Å; V870-G884 PolarHBondContact O-N 3.19Å
885	R	97.5	Very high	95.6	Very high	157 Å²	157	56.3 Å²	56.3	59%	0.592	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.8	134.5	177.6	63.3	175.4	-165.5	154.4	7.4	110.4	V867 I868 Y869	V867-R885 HydrophobicContact CG1-CB 3.66Å; V867-R885 HydrophobicContact CG1-CG 4.42Å; I868-R885 CarbonylContact O-C 3.56Å; I868-R885 WeakPolarHBondContact O-CA 3.48Å; Y869-R885 HydrophobicContact CD1-CB 4.41Å
886	C	98.2	Very high	95.9	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.014	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	121	170.5	-61.8	0	0	0	0	108.3	I868 W917	I868-C886 HydrophobicContact CB-CB 4.07Å; I868-C886 PolarHBondContact N-O 2.69Å; I868-C886 PolarHBondContact O-N 2.6Å; C886-W917 HydrophobicContact CB-CD2 3.56Å; C886-W917 HydrophobicContact CB-CE3 3.42Å; C886-W917 VanDerWaalsContact CB-CE3 3.42Å; C886-W917 HydrophobicContact CB-CG 4.11Å; C886-W917 HydrophobicContact CB-CH2 4.19Å; C886-W917 HydrophobicContact CB-CZ2 4.3Å; C886-W917 HydrophobicContact CB-CZ3 3.75Å
887	C	96.8	Very high	96.4	Very high	56 Å²	56	43.6 Å²	43.6	38%	0.378	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.4	179.8	-62.2	0	0	0	0	109.9
888	G	95.4	Very high	96.7	Very high	41 Å²	41	43.8 Å²	43.8	42%	0.423	22%	0.224	S	C	.	.			trans	165	-22.1	178.8	0	0	0	0	0	114.9
889	H	96.9	Very high	96.9	Very high	11 Å²	11	40.1 Å²	40.1	5%	0.051	21%	0.21	C	C	.	.			trans	-63.9	139.9	170.4	-83.7	-67.6	0	0	0	111.2	S891 I893 S907 S909 E913 L915 W917	H889-S891 VanDerWaalsContact C-N 3.34Å; H889-I893 HydrophobicContact CB-CD1 3.95Å; H889-I893 WeakPolarHBondContact CD2-CD1 3.43Å; H889-S907 PolarHBondContact CE1-O 3.08Å; H889-S907 PolarHBondContact NE2-O 2.89Å; H889-S907 PolarHBondContact NE2-OG 2.9Å; H889-S909 VanDerWaalsContact ND1-CB 3.26Å; H889-S909 WeakPolarHBondContact ND1-CB 3.41Å; H889-S909 PolarHBondContact ND1-OG 3.49Å; H889-E913 PolarHBondContact CE1-O 2.75Å; H889-L915 HydrophobicContact CB-CD1 4.33Å; H889-W917 AromaticContact CD2-CZ2 3.93Å
890	T	95.5	Very high	97	Very high	81 Å²	81	39.6 Å²	39.6	50%	0.497	21%	0.214	S	C	.	.	S	Bend	trans	-82.3	-12.2	177.3	54.9	0	0	0	0	113.9	N866 E913	N866-T890 PolarHBondContact ND2-O 2.87Å; T890-E913 WeakPolarHBondContact CB-OE2 3.46Å; T890-E913 WeakPolarHBondContact CG2-OE2 3.2Å; T890-E913 PolarHBondContact N-OE2 3.32Å; T890-E913 VanDerWaalsContact N-OE2 3.16Å; T890-E913 PolarHBondContact OG1-OE2 3.29Å
891	S	95.7	Very high	96.9	Very high	12 Å²	12	41.9 Å²	41.9	8%	0.084	23%	0.226	C	C	.	.	S	Bend	trans	-143	173.7	-171.2	-150.4	0	0	0	0	111.8	N866 H889 D911	N866-S891 WeakPolarHBondContact CB-O 3.42Å; N866-S891 VanDerWaalsContact CG-O 3.3Å; N866-S891 PolarHBondContact ND2-N 3.03Å; N866-S891 WeakPolarHBondContact OD1-CA 3.16Å; N866-S891 PolarHBondContact OD1-O 3.12Å; H889-S891 VanDerWaalsContact C-N 3.34Å; S891-D911 VanDerWaalsContact CB-CG 3.47Å; S891-D911 WeakPolarHBondContact CB-OD1 3.46Å; S891-D911 PolarHBondContact OG-OD1 3.02Å
892	F	95.2	Very high	96.9	Very high	29 Å²	29	38.3 Å²	38.3	13%	0.127	21%	0.208	C	C	.	.			trans	-59.9	143.1	-177.2	52	-90.3	0	0	0	111.9	R864 N866 L894 S909 G910	R864-F892 HydrophobicContact CB-CB 4.25Å; R864-F892 HydrophobicContact CG-CB 4.1Å; N866-F892 PolarHBondContact OD1-N 3Å; N866-F892 VanDerWaalsContact OD1-N 3.15Å; F892-L894 HydrophobicContact CD2-CD2 4.18Å; F892-L894 HydrophobicContact CD2-CG 4.19Å; F892-L894 HydrophobicContact CE2-CD1 4.44Å; F892-L894 HydrophobicContact CE2-CD2 3.83Å; F892-L894 HydrophobicContact CE2-CG 4Å; F892-S909 CarbonylContact O-C 3.55Å; F892-S909 WeakPolarHBondContact O-CA 3.4Å; F892-S909 WeakPolarHBondContact O-CB 3.33Å; F892-G910 PolarHBondContact O-N 3.45Å
893	I	98	Very high	96.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	131.7	178.3	-47	-58.4	0	0	0	109.5	E848 S863 I868 H889 I896	E848-I893 WeakPolarHBondContact CB-O 3.41Å; E848-I893 VanDerWaalsContact CG-O 3.23Å; E848-I893 WeakPolarHBondContact CG-O 3.21Å; S863-I893 PolarHBondContact O-N 2.87Å; I868-I893 HydrophobicContact CD1-CD1 4.26Å; I868-I893 HydrophobicContact CD1-CG2 4.28Å; I868-I893 HydrophobicContact CG1-CD1 3.87Å; I868-I893 HydrophobicContact CG1-CG1 3.81Å; I868-I893 HydrophobicContact CG1-CG2 4.14Å; H889-I893 HydrophobicContact CB-CD1 3.95Å; H889-I893 WeakPolarHBondContact CD2-CD1 3.43Å; I893-I896 HydrophobicContact CG2-CD1 4.21Å; I893-I896 HydrophobicContact CG2-CG1 4Å
894	L	96.5	Very high	96.9	Very high	51 Å²	51	38.7 Å²	38.7	27%	0.267	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-48.6	175.9	-79.5	170.8	0	0	0	112.1	C849 F892 V908	C849-L894 PolarHBondContact SG-O 3.43Å; F892-L894 HydrophobicContact CD2-CD2 4.18Å; F892-L894 HydrophobicContact CD2-CG 4.19Å; F892-L894 HydrophobicContact CE2-CD1 4.44Å; F892-L894 HydrophobicContact CE2-CD2 3.83Å; F892-L894 HydrophobicContact CE2-CG 4Å; L894-V908 HydrophobicContact CB-CG1 4.48Å; L894-V908 PolarHBondContact N-O 3.27Å
895	H	97.7	Very high	97	Very high	22 Å²	22	37.7 Å²	37.7	10%	0.102	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	152.1	-172.2	-48.3	-57	0	0	0	111.7	S907 V908 C941 T942 N961	H895-S907 WeakPolarHBondContact O-CA 3.26Å; H895-S907 WeakPolarHBondContact O-CB 3.45Å; H895-V908 HydrophobicContact CB-CB 4.29Å; H895-V908 PolarHBondContact N-O 3.01Å; H895-V908 PolarHBondContact O-N 2.97Å; H895-C941 HydrophobicContact CB-CB 4.38Å; H895-T942 PolarHBondContact CD2-OG1 3.24Å; H895-T942 WeakPolarHBondContact NE2-CG2 3.28Å; H895-T942 PolarHBondContact NE2-OG1 2.91Å; H895-T942 VanDerWaalsContact NE2-OG1 3.07Å; H895-N961 PolarHBondContact CE1-O 3.37Å; H895-N961 VanDerWaalsContact CE1-O 3.25Å
896	I	98.3	Very high	97	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.026	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	124.4	179.7	-71.3	175.3	0	0	0	107.6	A851 A860 I868 I893 I905 R906 T940	A851-I896 HydrophobicContact CB-CG2 4.16Å; A860-I896 HydrophobicContact CB-CD1 4.38Å; A860-I896 HydrophobicContact CB-CG2 4.06Å; I868-I896 HydrophobicContact CB-CD1 4.45Å; I868-I896 HydrophobicContact CD1-CD1 4.04Å; I868-I896 HydrophobicContact CD1-CG1 4.1Å; I868-I896 HydrophobicContact CG1-CD1 4.02Å; I868-I896 HydrophobicContact CG2-CD1 3.63Å; I893-I896 HydrophobicContact CG2-CD1 4.21Å; I893-I896 HydrophobicContact CG2-CG1 4Å; I896-I905 HydrophobicContact CG2-CG2 3.78Å; I896-R906 WeakPolarHBondContact CA-O 3.25Å; I896-T940 PolarHBondContact O-OG1 3.18Å; I896-T940 VanDerWaalsContact O-OG1 3.12Å
897	D	98.4	Very high	97	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	143.7	165.2	-64.6	-51	0	0	0	110.3	I905 R906 W936 S938 T940 C941	D897-I905 WeakPolarHBondContact O-CA 3.38Å; D897-R906 HydrophobicContact CB-CG 3.81Å; D897-R906 PolarHBondContact N-O 2.59Å; D897-R906 PolarHBondContact O-N 2.72Å; D897-R906 IonicContact OD2-CZ 3.13Å; D897-R906 IonicContact OD2-NE 3.01Å; D897-R906 PolarHBondContact OD2-NE 3.01Å; D897-R906 IonicContact OD2-NH2 3.52Å; D897-R906 PolarHBondContact OD2-NH2 3.32Å; D897-W936 HydrophobicContact CB-CE3 4.5Å; D897-S938 WeakPolarHBondContact CB-OG 3.43Å; D897-S938 VanDerWaalsContact OD1-C 3.28Å; D897-S938 WeakPolarHBondContact OD1-CB 3.4Å; D897-S938 PolarHBondContact OD1-OG 2.94Å; D897-T940 WeakPolarHBondContact OD1-CB 3.2Å; D897-T940 PolarHBondContact OD1-N 3.32Å; D897-T940 PolarHBondContact OD1-OG1 2.83Å; D897-T940 PolarHBondContact OD2-N 3.23Å; D897-C941 VanDerWaalsContact OD2-CB 3.26Å; D897-C941 WeakPolarHBondContact OD2-CB 3.36Å; D897-C941 PolarHBondContact OD2-N 2.8Å; D897-C941 PolarHBondContact OD2-SG 2.78Å
898	W	98.2	Very high	97	Very high	3 Å²	3	27.8 Å²	27.8	1%	0.011	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	150.2	171.4	-72.9	92.1	0	0	0	111.4	A851 Y852 Y858 A860 V870 G902 I905 A919 A937	A851-W898 PolarHBondContact O-NE1 2.94Å; Y852-W898 PolarHBondContact O-NE1 3.38Å; Y858-W898 HydrophobicContact CD2-CH2 4.47Å; Y858-W898 AromaticContact CG-CH2 3.93Å; Y858-W898 HydrophobicContact CG-CH2 3.93Å; Y858-W898 HydrophobicContact CG-CZ3 4.42Å; A860-W898 HydrophobicContact CB-CZ2 3.64Å; V870-W898 HydrophobicContact CG1-CH2 4.47Å; W898-G902 VanDerWaalsContact CZ3-O 3.29Å; W898-G902 WeakPolarHBondContact CZ3-O 3.32Å; W898-I905 HydrophobicContact CD2-CG1 3.94Å; W898-I905 HydrophobicContact CE3-CD1 4.44Å; W898-I905 HydrophobicContact CE3-CG1 3.73Å; W898-I905 HydrophobicContact CH2-CD1 3.72Å; W898-I905 HydrophobicContact CH2-CG1 3.93Å; W898-I905 HydrophobicContact CZ2-CD1 3.92Å; W898-I905 HydrophobicContact CZ2-CG1 4.15Å; W898-I905 HydrophobicContact CZ3-CD1 4.03Å; W898-I905 HydrophobicContact CZ3-CG1 3.74Å; W898-A919 HydrophobicContact CH2-CB 3.76Å; W898-A919 HydrophobicContact CZ3-CB 3.4Å; W898-A937 WeakPolarHBondContact O-CB 3.46Å; W898-A937 PolarHBondContact O-N 3.03Å
899	S	97.8	Very high	97	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-69.3	153.7	163.8	56.3	0	0	0	0	111.1	D901 G902 R903 F904 E935	S899-D901 WeakPolarHBondContact CB-OD1 3.49Å; S899-D901 PolarHBondContact O-N 2.83Å; S899-D901 PolarHBondContact OG-OD1 3.14Å; S899-G902 PolarHBondContact O-N 2.84Å; S899-R903 PolarHBondContact OG-N 3.41Å; S899-F904 PolarHBondContact N-O 2.9Å; S899-F904 PolarHBondContact OG-N 2.88Å; S899-F904 PolarHBondContact OG-O 3.07Å; S899-E935 WeakPolarHBondContact CA-O 3.46Å
900	V	96.1	Very high	96.8	Very high	74 Å²	74	25.4 Å²	25.4	45%	0.448	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-31.6	178.7	173.5	0	0	0	0	112.2	G902 E935 A937	V900-G902 VanDerWaalsContact C-N 3.33Å; V900-E935 HydrophobicContact CB-CB 4.49Å; V900-E935 HydrophobicContact CG2-CB 3.93Å; V900-E935 HydrophobicContact CG2-CG 3.73Å; V900-E935 PolarHBondContact N-O 2.92Å; V900-A937 HydrophobicContact CG2-CB 4.22Å
901	D	95.1	Very high	96.5	Very high	61 Å²	61	24.7 Å²	24.7	33%	0.326	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	1.6	177.9	70.2	4.1	0	0	0	114.9	S899 R903	S899-D901 WeakPolarHBondContact CB-OD1 3.49Å; S899-D901 PolarHBondContact O-N 2.83Å; S899-D901 PolarHBondContact OG-OD1 3.14Å; D901-R903 PolarHBondContact O-N 2.98Å; D901-R903 VanDerWaalsContact O-N 3.07Å; D901-R903 PolarHBondContact OD1-N 2.87Å; D901-R903 IonicContact OD1-NE 2.92Å; D901-R903 IonicContact OD2-CZ 3.97Å; D901-R903 IonicContact OD2-NE 2.64Å; D901-R903 PolarHBondContact OD2-NE 3.18Å; D901-R903 IonicContact OD2-NH2 3.06Å; D901-R903 PolarHBondContact OD2-NH2 2.8Å
902	G	95.5	Very high	96.2	Very high	4 Å²	4	25 Å²	25	4%	0.041	12%	0.121	C	C	.	.	S	Bend	trans	65.9	3.7	-180	0	0	0	0	0	115.9	W898 S899 V900	W898-G902 VanDerWaalsContact CZ3-O 3.29Å; W898-G902 WeakPolarHBondContact CZ3-O 3.32Å; S899-G902 PolarHBondContact O-N 2.84Å; V900-G902 VanDerWaalsContact C-N 3.33Å
903	R	97	Very high	96.1	Very high	146 Å²	146	25.4 Å²	25.4	55%	0.551	12%	0.123	S	C	*	.	S	Bend	trans	-87.2	-25.6	-175	-64.6	-173.7	-62.4	174.3	-1.3	113.9	S899 D901 A919	S899-R903 PolarHBondContact OG-N 3.41Å; D901-R903 PolarHBondContact O-N 2.98Å; D901-R903 VanDerWaalsContact O-N 3.07Å; D901-R903 PolarHBondContact OD1-N 2.87Å; D901-R903 IonicContact OD1-NE 2.92Å; D901-R903 IonicContact OD2-CZ 3.97Å; D901-R903 IonicContact OD2-NE 2.64Å; D901-R903 PolarHBondContact OD2-NE 3.18Å; D901-R903 IonicContact OD2-NH2 3.06Å; D901-R903 PolarHBondContact OD2-NH2 2.8Å; R903-A919 PolarHBondContact O-N 2.84Å
904	F	98.2	Very high	95.9	Very high	36 Å²	36	26.8 Å²	26.8	16%	0.158	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	151.4	-173.7	-59.6	-86	0	0	0	112.4	S899 W917 T918 V925 L931 L934 W936	S899-F904 PolarHBondContact N-O 2.9Å; S899-F904 PolarHBondContact OG-N 2.88Å; S899-F904 PolarHBondContact OG-O 3.07Å; F904-W917 VanDerWaalsContact CA-O 3.25Å; F904-W917 WeakPolarHBondContact CA-O 3.4Å; F904-T918 HydrophobicContact CD1-CG2 3.98Å; F904-T918 HydrophobicContact CE1-CG2 3.6Å; F904-T918 HydrophobicContact CZ-CG2 4.5Å; F904-V925 HydrophobicContact CD1-CG2 4.14Å; F904-V925 HydrophobicContact CE1-CG2 4.12Å; F904-L931 HydrophobicContact CD1-CD1 4.25Å; F904-L931 HydrophobicContact CD1-CD2 4.1Å; F904-L931 HydrophobicContact CE1-CD2 3.88Å; F904-L931 HydrophobicContact CE2-CD2 4.46Å; F904-L931 HydrophobicContact CG-CD2 4.47Å; F904-L931 HydrophobicContact CZ-CD2 4.08Å; F904-L934 HydrophobicContact CB-CD2 3.86Å; F904-L934 HydrophobicContact CD2-CD1 4.45Å; F904-L934 HydrophobicContact CD2-CD2 3.6Å; F904-L934 HydrophobicContact CE2-CD2 4.37Å; F904-L934 HydrophobicContact CG-CD2 3.88Å; F904-W936 HydrophobicContact CB-CH2 4.28Å; F904-W936 HydrophobicContact CB-CZ3 4.48Å
905	I	98.5	Very high	96	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135	173.7	-59.9	167.1	0	0	0	107.7	A860 V870 I896 D897 W898 F916 W917 A919	A860-I905 HydrophobicContact CB-CD1 4.09Å; V870-I905 HydrophobicContact CG2-CD1 4Å; I896-I905 HydrophobicContact CG2-CG2 3.78Å; D897-I905 WeakPolarHBondContact O-CA 3.38Å; W898-I905 HydrophobicContact CD2-CG1 3.94Å; W898-I905 HydrophobicContact CE3-CD1 4.44Å; W898-I905 HydrophobicContact CE3-CG1 3.73Å; W898-I905 HydrophobicContact CH2-CD1 3.72Å; W898-I905 HydrophobicContact CH2-CG1 3.93Å; W898-I905 HydrophobicContact CZ2-CD1 3.92Å; W898-I905 HydrophobicContact CZ2-CG1 4.15Å; W898-I905 HydrophobicContact CZ3-CD1 4.03Å; W898-I905 HydrophobicContact CZ3-CG1 3.74Å; I905-F916 CarbonylContact O-C 3.58Å; I905-F916 VanDerWaalsContact O-CA 3.31Å; I905-F916 WeakPolarHBondContact O-CA 3.37Å; I905-W917 HydrophobicContact CB-CB 4.32Å; I905-W917 PolarHBondContact N-O 2.79Å; I905-W917 PolarHBondContact O-N 2.65Å; I905-A919 HydrophobicContact CD1-CB 4.27Å; I905-A919 HydrophobicContact CG1-CB 4.45Å
906	R	97.9	Very high	96	Very high	5 Å²	5	25.8 Å²	25.8	2%	0.019	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	149.6	159.3	66.5	173.9	-177.6	-158.1	-6.5	109.6	I896 D897 L915 F916 W936 S938 Q939 E946	I896-R906 WeakPolarHBondContact CA-O 3.25Å; D897-R906 HydrophobicContact CB-CG 3.81Å; D897-R906 PolarHBondContact N-O 2.59Å; D897-R906 PolarHBondContact O-N 2.72Å; D897-R906 IonicContact OD2-CZ 3.13Å; D897-R906 IonicContact OD2-NE 3.01Å; D897-R906 PolarHBondContact OD2-NE 3.01Å; D897-R906 IonicContact OD2-NH2 3.52Å; D897-R906 PolarHBondContact OD2-NH2 3.32Å; R906-L915 CarbonylContact C-O 3.52Å; R906-L915 WeakPolarHBondContact CA-O 3.33Å; R906-F916 HydrophobicContact CB-CD1 3.74Å; R906-F916 HydrophobicContact CB-CE1 3.69Å; R906-W936 HydrophobicContact CB-CE3 4.23Å; R906-W936 HydrophobicContact CB-CH2 3.72Å; R906-W936 HydrophobicContact CB-CZ2 4.12Å; R906-W936 HydrophobicContact CB-CZ3 3.77Å; R906-W936 HydrophobicContact CG-CD2 4.02Å; R906-W936 HydrophobicContact CG-CE3 3.67Å; R906-W936 HydrophobicContact CG-CH2 4.09Å; R906-W936 HydrophobicContact CG-CZ2 4.38Å; R906-W936 HydrophobicContact CG-CZ3 3.72Å; R906-W936 VanDerWaalsContact CZ-CG 3.48Å; R906-S938 PolarHBondContact NH2-O 2.85Å; R906-Q939 VanDerWaalsContact NH2-NE2 3.16Å; R906-E946 IonicContact CZ-OE1 3.14Å; R906-E946 IonicContact NH1-OE1 2.69Å; R906-E946 PolarHBondContact NH1-OE1 3.05Å; R906-E946 IonicContact NH1-OE2 3.8Å; R906-E946 PolarHBondContact NH1-OE2 2.97Å
907	S	98.3	Very high	96	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	146.5	178.4	57.2	0	0	0	0	114.1	I868 H889 H895 I914 L915 W917	I868-S907 VanDerWaalsContact CD1-CB 3.42Å; I868-S907 WeakPolarHBondContact CD1-OG 3.32Å; H889-S907 PolarHBondContact CE1-O 3.08Å; H889-S907 PolarHBondContact NE2-O 2.89Å; H889-S907 PolarHBondContact NE2-OG 2.9Å; H895-S907 WeakPolarHBondContact O-CA 3.26Å; H895-S907 WeakPolarHBondContact O-CB 3.45Å; S907-I914 WeakPolarHBondContact O-CA 3.44Å; S907-L915 PolarHBondContact N-O 3.39Å; S907-L915 PolarHBondContact O-N 2.79Å; S907-W917 PolarHBondContact OG-NE1 2.91Å
908	V	96.8	Very high	96	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.012	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	141.4	179.3	175.2	0	0	0	0	109.5	L894 H895 E913 C941 L943	L894-V908 HydrophobicContact CB-CG1 4.48Å; L894-V908 PolarHBondContact N-O 3.27Å; H895-V908 HydrophobicContact CB-CB 4.29Å; H895-V908 PolarHBondContact N-O 3.01Å; H895-V908 PolarHBondContact O-N 2.97Å; V908-E913 WeakPolarHBondContact CA-O 3.31Å; V908-C941 HydrophobicContact CG2-CB 3.79Å; V908-L943 HydrophobicContact CG1-CB 4.39Å; V908-L943 HydrophobicContact CG1-CD1 3.8Å; V908-L943 HydrophobicContact CG1-CG 3.95Å; V908-L943 HydrophobicContact CG2-CB 3.87Å; V908-L943 HydrophobicContact CG2-CG 4.33Å
909	S	96.1	Very high	95.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	165.9	174.3	63.1	0	0	0	0	113.6	H889 F892 D911 Y912 E913	H889-S909 VanDerWaalsContact ND1-CB 3.26Å; H889-S909 WeakPolarHBondContact ND1-CB 3.41Å; H889-S909 PolarHBondContact ND1-OG 3.49Å; F892-S909 CarbonylContact O-C 3.55Å; F892-S909 WeakPolarHBondContact O-CA 3.4Å; F892-S909 WeakPolarHBondContact O-CB 3.33Å; S909-D911 PolarHBondContact O-N 3.09Å; S909-Y912 PolarHBondContact O-N 3.28Å; S909-E913 PolarHBondContact N-O 3.12Å
910	G	91.9	Very high	95.6	Very high	3 Å²	3	32.4 Å²	32.4	3%	0.031	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-14.1	-178.3	0	0	0	0	0	116.5	F892 Y912	F892-G910 PolarHBondContact O-N 3.45Å; G910-Y912 VanDerWaalsContact C-N 3.34Å
911	D	89.1	Confident	95.6	Very high	65 Å²	65	31.3 Å²	31.3	35%	0.348	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	10.1	174.4	-84.3	40.2	0	0	0	112.7	R364 S891 S909 E913	R364-D911 PolarHBondContact NH1-O 3.28Å; S891-D911 VanDerWaalsContact CB-CG 3.47Å; S891-D911 WeakPolarHBondContact CB-OD1 3.46Å; S891-D911 PolarHBondContact OG-OD1 3.02Å; S909-D911 PolarHBondContact O-N 3.09Å; D911-E913 HydrophobicContact CB-CG 4.1Å
912	Y	90.2	Very high	95.8	Very high	20 Å²	20	29 Å²	29	8%	0.078	14%	0.135	C	C	.	.			trans	66.9	31.8	-179.3	-35.5	-62.6	0	0	0	114.2	I361 R362 S909 G910 D956 G957	I361-Y912 HydrophobicContact CB-CG 4.46Å; I361-Y912 HydrophobicContact CG2-CD1 3.93Å; I361-Y912 HydrophobicContact CG2-CD2 3.69Å; I361-Y912 HydrophobicContact CG2-CE1 4.05Å; I361-Y912 HydrophobicContact CG2-CE2 3.81Å; I361-Y912 HydrophobicContact CG2-CG 3.76Å; R362-Y912 PolarHBondContact NH1-OH 2.97Å; S909-Y912 PolarHBondContact O-N 3.28Å; G910-Y912 VanDerWaalsContact C-N 3.34Å; Y912-D956 PolarHBondContact OH-O 2.86Å; Y912-G957 WeakPolarHBondContact CE1-O 3.47Å
913	E	92	Very high	95.9	Very high	36 Å²	36	36.9 Å²	36.9	17%	0.168	16%	0.164	C	C	.	.			trans	-92.1	137	177.9	-44.1	-160.2	120.6	0	0	110.1	R364 H889 T890 V908 S909 D911	R364-E913 IonicContact CZ-OE1 3Å; R364-E913 IonicContact NH1-OE1 3.75Å; R364-E913 PolarHBondContact NH1-OE1 3.09Å; R364-E913 IonicContact NH2-OE1 2.74Å; R364-E913 PolarHBondContact NH2-OE1 2.82Å; H889-E913 PolarHBondContact CE1-O 2.75Å; T890-E913 WeakPolarHBondContact CB-OE2 3.46Å; T890-E913 WeakPolarHBondContact CG2-OE2 3.2Å; T890-E913 PolarHBondContact N-OE2 3.32Å; T890-E913 VanDerWaalsContact N-OE2 3.16Å; T890-E913 PolarHBondContact OG1-OE2 3.29Å; V908-E913 WeakPolarHBondContact CA-O 3.31Å; S909-E913 PolarHBondContact N-O 3.12Å; D911-E913 HydrophobicContact CB-CG 4.1Å
914	I	95.3	Very high	95.9	Very high	29 Å²	29	33.7 Å²	33.7	15%	0.149	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	109.8	174.3	-46.1	172.3	0	0	0	107.3	V366 V368 S907 F916 L943	V366-I914 HydrophobicContact CG1-CD1 3.97Å; V368-I914 HydrophobicContact CG1-CD1 3.45Å; V368-I914 VanDerWaalsContact CG1-CD1 3.45Å; S907-I914 WeakPolarHBondContact O-CA 3.44Å; I914-F916 HydrophobicContact CB-CE2 4.43Å; I914-F916 HydrophobicContact CG2-CE2 3.71Å; I914-F916 HydrophobicContact CG2-CZ 3.74Å; I914-L943 HydrophobicContact CD1-CB 3.67Å; I914-L943 HydrophobicContact CG1-CB 3.74Å; I914-L943 HydrophobicContact CG1-CD1 4.21Å
915	L	97.5	Very high	95.9	Very high	26 Å²	26	33.1 Å²	33.1	14%	0.136	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	150.8	179	-60.2	-172.7	0	0	0	111.2	H889 R906 S907 W917	H889-L915 HydrophobicContact CB-CD1 4.33Å; R906-L915 CarbonylContact C-O 3.52Å; R906-L915 WeakPolarHBondContact CA-O 3.33Å; S907-L915 PolarHBondContact N-O 3.39Å; S907-L915 PolarHBondContact O-N 2.79Å; L915-W917 HydrophobicContact CB-CH2 4.49Å; L915-W917 HydrophobicContact CB-CZ2 3.6Å; L915-W917 HydrophobicContact CD1-CH2 3.98Å; L915-W917 HydrophobicContact CD1-CZ2 3.68Å; L915-W917 HydrophobicContact CG-CZ2 4.3Å
916	F	98.2	Very high	95.7	Very high	27 Å²	27	38.7 Å²	38.7	12%	0.118	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.1	-174.2	-60.7	-96.5	0	0	0	109.7	I905 R906 I914 Q924 V925 P928 L931 W936	I905-F916 CarbonylContact O-C 3.58Å; I905-F916 VanDerWaalsContact O-CA 3.31Å; I905-F916 WeakPolarHBondContact O-CA 3.37Å; R906-F916 HydrophobicContact CB-CD1 3.74Å; R906-F916 HydrophobicContact CB-CE1 3.69Å; I914-F916 HydrophobicContact CB-CE2 4.43Å; I914-F916 HydrophobicContact CG2-CE2 3.71Å; I914-F916 HydrophobicContact CG2-CZ 3.74Å; F916-Q924 CarbonylContact O-C 3.59Å; F916-Q924 WeakPolarHBondContact O-CA 3.15Å; F916-V925 HydrophobicContact CB-CB 4.08Å; F916-V925 PolarHBondContact O-N 2.81Å; F916-P928 HydrophobicContact CD2-CB 3.72Å; F916-P928 HydrophobicContact CD2-CG 3.77Å; F916-P928 HydrophobicContact CE2-CB 3.66Å; F916-P928 HydrophobicContact CE2-CG 4.03Å; F916-P928 HydrophobicContact CZ-CB 4.41Å; F916-L931 HydrophobicContact CB-CD1 3.71Å; F916-L931 HydrophobicContact CD1-CD1 3.77Å; F916-L931 HydrophobicContact CG-CD1 3.96Å; F916-W936 AromaticContact CD1-CH2 3.88Å; F916-W936 HydrophobicContact CD1-CH2 3.88Å; F916-W936 AromaticContact CD1-CZ2 3.85Å; F916-W936 HydrophobicContact CD1-CZ2 3.85Å; F916-W936 HydrophobicContact CE1-CH2 4.18Å; F916-W936 AromaticContact CE1-CZ2 3.72Å; F916-W936 HydrophobicContact CE1-CZ2 3.72Å
917	W	98.4	Very high	95.5	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.008	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	147	-169.8	-43	87.2	0	0	0	112.3	C886 H889 F904 I905 S907 L915 R923 Q924	C886-W917 HydrophobicContact CB-CD2 3.56Å; C886-W917 HydrophobicContact CB-CE3 3.42Å; C886-W917 VanDerWaalsContact CB-CE3 3.42Å; C886-W917 HydrophobicContact CB-CG 4.11Å; C886-W917 HydrophobicContact CB-CH2 4.19Å; C886-W917 HydrophobicContact CB-CZ2 4.3Å; C886-W917 HydrophobicContact CB-CZ3 3.75Å; H889-W917 AromaticContact CD2-CZ2 3.93Å; F904-W917 VanDerWaalsContact CA-O 3.25Å; F904-W917 WeakPolarHBondContact CA-O 3.4Å; I905-W917 HydrophobicContact CB-CB 4.32Å; I905-W917 PolarHBondContact N-O 2.79Å; I905-W917 PolarHBondContact O-N 2.65Å; S907-W917 PolarHBondContact OG-NE1 2.91Å; L915-W917 HydrophobicContact CB-CH2 4.49Å; L915-W917 HydrophobicContact CB-CZ2 3.6Å; L915-W917 HydrophobicContact CD1-CH2 3.98Å; L915-W917 HydrophobicContact CD1-CZ2 3.68Å; L915-W917 HydrophobicContact CG-CZ2 4.3Å; W917-R923 CarbonylContact C-O 3.39Å; W917-R923 WeakPolarHBondContact CA-O 3.47Å; W917-Q924 HydrophobicContact CE3-CB 3.79Å; W917-Q924 HydrophobicContact CE3-CG 4.22Å; W917-Q924 HydrophobicContact CH2-CB 4.37Å; W917-Q924 HydrophobicContact CH2-CG 4.29Å; W917-Q924 HydrophobicContact CZ3-CB 3.6Å; W917-Q924 HydrophobicContact CZ3-CG 3.97Å
918	T	97.7	Very high	95.1	Very high	22 Å²	22	42.6 Å²	42.6	14%	0.135	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	123.3	163.4	36.9	0	0	0	0	109.6	F904 F920 D921 C922 R923 V925	F904-T918 HydrophobicContact CD1-CG2 3.98Å; F904-T918 HydrophobicContact CE1-CG2 3.6Å; F904-T918 HydrophobicContact CZ-CG2 4.5Å; T918-F920 HydrophobicContact CG2-CE1 3.84Å; T918-F920 HydrophobicContact CG2-CZ 4.32Å; T918-D921 WeakPolarHBondContact CB-OD1 3.41Å; T918-D921 PolarHBondContact OG1-OD1 3.39Å; T918-C922 VanDerWaalsContact O-CA 3.23Å; T918-C922 WeakPolarHBondContact O-CA 3.45Å; T918-C922 PolarHBondContact O-N 2.98Å; T918-R923 PolarHBondContact N-O 2.79Å; T918-R923 PolarHBondContact OG1-O 2.83Å; T918-V925 HydrophobicContact CG2-CG2 4.13Å
919	A	95	Very high	94.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-40.4	-171.3	0	0	0	0	0	113.5	W898 R903 I905 D921	W898-A919 HydrophobicContact CH2-CB 3.76Å; W898-A919 HydrophobicContact CZ3-CB 3.4Å; R903-A919 PolarHBondContact O-N 2.84Å; I905-A919 HydrophobicContact CD1-CB 4.27Å; I905-A919 HydrophobicContact CG1-CB 4.45Å; A919-D921 VanDerWaalsContact C-N 3.3Å; A919-D921 PolarHBondContact O-N 2.71Å
920	F	94	Very high	94.8	Very high	122 Å²	122	49.6 Å²	49.6	54%	0.535	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-23.1	-172.9	66.9	-92.2	0	0	0	114.5	V883 T918	V883-F920 WeakPolarHBondContact CG1-O 3.33Å; T918-F920 HydrophobicContact CG2-CE1 3.84Å; T918-F920 HydrophobicContact CG2-CZ 4.32Å
921	D	95.9	Very high	95	Very high	51 Å²	51	50.1 Å²	50.1	27%	0.273	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.7	4.1	178.1	74.5	-10.3	0	0	0	114.2	T918 A919 R923	T918-D921 WeakPolarHBondContact CB-OD1 3.41Å; T918-D921 PolarHBondContact OG1-OD1 3.39Å; A919-D921 VanDerWaalsContact C-N 3.3Å; A919-D921 PolarHBondContact O-N 2.71Å; D921-R923 HydrophobicContact CB-CG 4.45Å; D921-R923 PolarHBondContact O-N 3.07Å; D921-R923 PolarHBondContact OD1-N 2.93Å; D921-R923 WeakPolarHBondContact OD2-CD 3.39Å; D921-R923 WeakPolarHBondContact OD2-CG 3.19Å; D921-R923 IonicContact OD2-CZ 2.84Å; D921-R923 IonicContact OD2-NE 2.89Å; D921-R923 PolarHBondContact OD2-NE 3.26Å; D921-R923 IonicContact OD2-NH1 3.14Å; D921-R923 PolarHBondContact OD2-NH1 2.99Å
922	C	97.6	Very high	95.2	Very high	12 Å²	12	49 Å²	49	8%	0.081	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	57	25.4	178.9	-62.2	0	0	0	0	115.4	T918	T918-C922 VanDerWaalsContact O-CA 3.23Å; T918-C922 WeakPolarHBondContact O-CA 3.45Å; T918-C922 PolarHBondContact O-N 2.98Å
923	R	97.6	Very high	95.5	Very high	170 Å²	170	52.3 Å²	52.3	64%	0.642	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	150.9	-179.5	-65.3	-173.8	-173.2	158	-2.3	112.8	W917 T918 D921	W917-R923 CarbonylContact C-O 3.39Å; W917-R923 WeakPolarHBondContact CA-O 3.47Å; T918-R923 PolarHBondContact N-O 2.79Å; T918-R923 PolarHBondContact OG1-O 2.83Å; D921-R923 HydrophobicContact CB-CG 4.45Å; D921-R923 PolarHBondContact O-N 3.07Å; D921-R923 PolarHBondContact OD1-N 2.93Å; D921-R923 WeakPolarHBondContact OD2-CD 3.39Å; D921-R923 WeakPolarHBondContact OD2-CG 3.19Å; D921-R923 IonicContact OD2-CZ 2.84Å; D921-R923 IonicContact OD2-NE 2.89Å; D921-R923 PolarHBondContact OD2-NE 3.26Å; D921-R923 IonicContact OD2-NH1 3.14Å; D921-R923 PolarHBondContact OD2-NH1 2.99Å
924	Q	97.8	Very high	95.6	Very high	79 Å²	79	52.4 Å²	52.4	37%	0.369	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	129.8	175.8	-168.7	-177.7	-14.4	0	0	111.1	F916 W917 V926	F916-Q924 CarbonylContact O-C 3.59Å; F916-Q924 WeakPolarHBondContact O-CA 3.15Å; W917-Q924 HydrophobicContact CE3-CB 3.79Å; W917-Q924 HydrophobicContact CE3-CG 4.22Å; W917-Q924 HydrophobicContact CH2-CB 4.37Å; W917-Q924 HydrophobicContact CH2-CG 4.29Å; W917-Q924 HydrophobicContact CZ3-CB 3.6Å; W917-Q924 HydrophobicContact CZ3-CG 3.97Å; Q924-V926 HydrophobicContact CB-CG1 4.48Å; Q924-V926 HydrophobicContact CG-CG1 4.35Å; Q924-V926 PolarHBondContact O-N 2.78Å
925	V	97.2	Very high	95.6	Very high	25 Å²	25	57.2 Å²	57.2	15%	0.152	30%	0.296	C	S	.	.			trans	-81.3	93.8	169.1	-176.8	0	0	0	0	108.6	F904 F916 T918 S927 L931	F904-V925 HydrophobicContact CD1-CG2 4.14Å; F904-V925 HydrophobicContact CE1-CG2 4.12Å; F916-V925 HydrophobicContact CB-CB 4.08Å; F916-V925 PolarHBondContact O-N 2.81Å; T918-V925 HydrophobicContact CG2-CG2 4.13Å; V925-S927 PolarHBondContact O-N 3.49Å; V925-S927 VanDerWaalsContact O-N 3.14Å; V925-L931 HydrophobicContact CB-CD1 4.16Å; V925-L931 HydrophobicContact CG1-CD1 3.93Å; V925-L931 HydrophobicContact CG1-CG 4.17Å; V925-L931 HydrophobicContact CG2-CD1 4.32Å
926	V	94.4	Very high	95.5	Very high	116 Å²	116	57 Å²	57	70%	0.703	29%	0.294	S	S	*	.	S	Bend	trans	-72.5	1.3	-176.3	-61	0	0	0	0	114.7	Q924	Q924-V926 HydrophobicContact CB-CG1 4.48Å; Q924-V926 HydrophobicContact CG-CG1 4.35Å; Q924-V926 PolarHBondContact O-N 2.78Å
927	S	93.7	Very high	95.4	Very high	60 Å²	60	58 Å²	58	42%	0.42	31%	0.306	S	S	.	.			trans	-128.1	73	176.7	-61.2	0	0	0	0	111	V925 S929 T930	V925-S927 PolarHBondContact O-N 3.49Å; V925-S927 VanDerWaalsContact O-N 3.14Å; S927-S929 PolarHBondContact O-N 2.95Å; S927-T930 PolarHBondContact O-N 3.13Å; S927-T930 PolarHBondContact O-OG1 2.58Å; S927-T930 VanDerWaalsContact O-OG1 3.04Å
928	P	90.7	Very high	95.2	Very high	27 Å²	27	59.6 Å²	59.6	18%	0.175	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-57.2	-23	-175.7	-26.9	36.4	0	0	0	114.6	Y369 F916 T930 L931	Y369-P928 HydrophobicContact CD2-CB 3.88Å; Y369-P928 HydrophobicContact CE2-CB 3.64Å; Y369-P928 HydrophobicContact CE2-CG 4.25Å; F916-P928 HydrophobicContact CD2-CB 3.72Å; F916-P928 HydrophobicContact CD2-CG 3.77Å; F916-P928 HydrophobicContact CE2-CB 3.66Å; F916-P928 HydrophobicContact CE2-CG 4.03Å; F916-P928 HydrophobicContact CZ-CB 4.41Å; P928-T930 PolarHBondContact O-N 2.98Å; P928-T930 VanDerWaalsContact O-N 3.13Å; P928-L931 PolarHBondContact O-N 2.99Å
929	S	92.1	Very high	95.2	Very high	48 Å²	48	58.7 Å²	58.7	34%	0.336	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-56.8	-20.6	172.5	51	0	0	0	0	114.5	S927 R932	S927-S929 PolarHBondContact O-N 2.95Å; S929-R932 PolarHBondContact O-NE 2.86Å
930	T	94.7	Very high	95.3	Very high	102 Å²	102	61 Å²	61	63%	0.626	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-83.6	-9.1	174.3	69.6	0	0	0	0	113.5	S927 P928	S927-T930 PolarHBondContact O-N 3.13Å; S927-T930 PolarHBondContact O-OG1 2.58Å; S927-T930 VanDerWaalsContact O-OG1 3.04Å; P928-T930 PolarHBondContact O-N 2.98Å; P928-T930 VanDerWaalsContact O-N 3.13Å
931	L	95.5	Very high	95.4	Very high	14 Å²	14	55.2 Å²	55.2	7%	0.073	30%	0.301	C	S	.	.	S	Bend	trans	-108.7	7.4	179.5	-52.2	-177.7	0	0	0	112.5	F904 F916 V925 P928 D933 L934	F904-L931 HydrophobicContact CD1-CD1 4.25Å; F904-L931 HydrophobicContact CD1-CD2 4.1Å; F904-L931 HydrophobicContact CE1-CD2 3.88Å; F904-L931 HydrophobicContact CE2-CD2 4.46Å; F904-L931 HydrophobicContact CG-CD2 4.47Å; F904-L931 HydrophobicContact CZ-CD2 4.08Å; F916-L931 HydrophobicContact CB-CD1 3.71Å; F916-L931 HydrophobicContact CD1-CD1 3.77Å; F916-L931 HydrophobicContact CG-CD1 3.96Å; V925-L931 HydrophobicContact CB-CD1 4.16Å; V925-L931 HydrophobicContact CG1-CD1 3.93Å; V925-L931 HydrophobicContact CG1-CG 4.17Å; V925-L931 HydrophobicContact CG2-CD1 4.32Å; P928-L931 PolarHBondContact O-N 2.99Å; L931-D933 PolarHBondContact O-N 3.15Å; L931-L934 HydrophobicContact CB-CB 4.42Å; L931-L934 HydrophobicContact CB-CD2 4.44Å; L931-L934 HydrophobicContact CD2-CD2 4.26Å; L931-L934 VanDerWaalsContact O-CB 3.27Å; L931-L934 WeakPolarHBondContact O-CB 3.22Å; L931-L934 PolarHBondContact O-N 3.04Å; L931-L934 VanDerWaalsContact O-N 3.11Å
932	R	94.3	Very high	95.5	Very high	42 Å²	42	52.9 Å²	52.9	16%	0.158	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.9	-176.1	71.3	177	58.4	-132.4	12.6	114.6	D354 M370 P371 T372 S929	D354-R932 PolarHBondContact O-NH1 3.22Å; D354-R932 PolarHBondContact O-NH2 3.3Å; M370-R932 WeakPolarHBondContact O-CD 3.45Å; M370-R932 PolarHBondContact O-NH1 2.87Å; P371-R932 WeakPolarHBondContact CA-O 3.5Å; P371-R932 WeakPolarHBondContact CG-O 3.42Å; T372-R932 VanDerWaalsContact OG1-CD 3.26Å; T372-R932 WeakPolarHBondContact OG1-CD 3.31Å; S929-R932 PolarHBondContact O-NE 2.86Å
933	D	95.4	Very high	95.3	Very high	89 Å²	89	52.4 Å²	52.4	48%	0.476	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	13.2	-179.1	-63.1	-61.5	0	0	0	111.8	P371 T372 L931	P371-D933 WeakPolarHBondContact CA-OD1 3.11Å; T372-D933 WeakPolarHBondContact CB-OD2 3.24Å; T372-D933 PolarHBondContact N-OD1 3.06Å; T372-D933 PolarHBondContact OG1-OD2 2.81Å; L931-D933 PolarHBondContact O-N 3.15Å
934	L	94.6	Very high	95.2	Very high	38 Å²	38	44.6 Å²	44.6	20%	0.199	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-85.6	132.3	176.9	-175.1	64.5	0	0	0	110.5	F904 L931 W936	F904-L934 HydrophobicContact CB-CD2 3.86Å; F904-L934 HydrophobicContact CD2-CD1 4.45Å; F904-L934 HydrophobicContact CD2-CD2 3.6Å; F904-L934 HydrophobicContact CE2-CD2 4.37Å; F904-L934 HydrophobicContact CG-CD2 3.88Å; L931-L934 HydrophobicContact CB-CB 4.42Å; L931-L934 HydrophobicContact CB-CD2 4.44Å; L931-L934 HydrophobicContact CD2-CD2 4.26Å; L931-L934 VanDerWaalsContact O-CB 3.27Å; L931-L934 WeakPolarHBondContact O-CB 3.22Å; L931-L934 PolarHBondContact O-N 3.04Å; L931-L934 VanDerWaalsContact O-N 3.11Å; L934-W936 HydrophobicContact CD2-CH2 3.92Å; L934-W936 HydrophobicContact CD2-CZ2 3.95Å; L934-W936 PolarHBondContact O-NE1 3.14Å
935	E	94.8	Very high	95	Very high	130 Å²	130	41.3 Å²	41.3	61%	0.607	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-82.4	132.3	176.3	-164	176.5	180	0	0	111.7	S899 V900	S899-E935 WeakPolarHBondContact CA-O 3.46Å; V900-E935 HydrophobicContact CB-CB 4.49Å; V900-E935 HydrophobicContact CG2-CB 3.93Å; V900-E935 HydrophobicContact CG2-CG 3.73Å; V900-E935 PolarHBondContact N-O 2.92Å
936	W	95.9	Very high	94.9	Very high	22 Å²	22	41.5 Å²	41.5	8%	0.083	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-97.7	131	178	-59.5	97.9	0	0	0	110.4	D897 F904 R906 F916 L934 S938 E946	D897-W936 HydrophobicContact CB-CE3 4.5Å; F904-W936 HydrophobicContact CB-CH2 4.28Å; F904-W936 HydrophobicContact CB-CZ3 4.48Å; R906-W936 HydrophobicContact CB-CE3 4.23Å; R906-W936 HydrophobicContact CB-CH2 3.72Å; R906-W936 HydrophobicContact CB-CZ2 4.12Å; R906-W936 HydrophobicContact CB-CZ3 3.77Å; R906-W936 HydrophobicContact CG-CD2 4.02Å; R906-W936 HydrophobicContact CG-CE3 3.67Å; R906-W936 HydrophobicContact CG-CH2 4.09Å; R906-W936 HydrophobicContact CG-CZ2 4.38Å; R906-W936 HydrophobicContact CG-CZ3 3.72Å; R906-W936 VanDerWaalsContact CZ-CG 3.48Å; F916-W936 AromaticContact CD1-CH2 3.88Å; F916-W936 HydrophobicContact CD1-CH2 3.88Å; F916-W936 AromaticContact CD1-CZ2 3.85Å; F916-W936 HydrophobicContact CD1-CZ2 3.85Å; F916-W936 HydrophobicContact CE1-CH2 4.18Å; F916-W936 AromaticContact CE1-CZ2 3.72Å; F916-W936 HydrophobicContact CE1-CZ2 3.72Å; L934-W936 HydrophobicContact CD2-CH2 3.92Å; L934-W936 HydrophobicContact CD2-CZ2 3.95Å; L934-W936 PolarHBondContact O-NE1 3.14Å; W936-S938 VanDerWaalsContact C-N 3.29Å; W936-S938 PolarHBondContact O-N 2.85Å; W936-E946 VanDerWaalsContact CD1-OE1 3.29Å
937	A	95.3	Very high	95	Very high	46 Å²	46	36 Å²	36	38%	0.38	21%	0.208	S	C	.	.	S	Bend	trans	-68.8	-29.7	-176.4	0	0	0	0	0	112.7	P854 W898 V900	P854-A937 HydrophobicContact CG-CB 3.54Å; W898-A937 WeakPolarHBondContact O-CB 3.46Å; W898-A937 PolarHBondContact O-N 3.03Å; V900-A937 HydrophobicContact CG2-CB 4.22Å
938	S	94.8	Very high	95	Very high	37 Å²	37	33.5 Å²	33.5	26%	0.259	19%	0.191	S	C	.	.			trans	-135	160	-179.3	55.4	0	0	0	0	111.1	D897 R906 W936	D897-S938 WeakPolarHBondContact CB-OG 3.43Å; D897-S938 VanDerWaalsContact OD1-C 3.28Å; D897-S938 WeakPolarHBondContact OD1-CB 3.4Å; D897-S938 PolarHBondContact OD1-OG 2.94Å; R906-S938 PolarHBondContact NH2-O 2.85Å; W936-S938 VanDerWaalsContact C-N 3.29Å; W936-S938 PolarHBondContact O-N 2.85Å
939	Q	97.1	Very high	95.2	Very high	3 Å²	3	32.4 Å²	32.4	1%	0.014	18%	0.184	C	C	.	.			trans	-125.2	59.4	175.9	-170.6	61.9	59.8	0	0	110.1	R906 C941 V947 C963 R965 L972 Y986	R906-Q939 VanDerWaalsContact NH2-NE2 3.16Å; Q939-C941 PolarHBondContact NE2-O 2.97Å; Q939-V947 HydrophobicContact CG-CG1 3.56Å; Q939-C963 CarbonylContact O-C 3.52Å; Q939-C963 PolarHBondContact O-SG 2.79Å; Q939-R965 HydrophobicContact CB-CB 3.98Å; Q939-L972 HydrophobicContact CG-CD1 3.87Å; Q939-Y986 HydrophobicContact CG-CE2 4.27Å
940	T	97.3	Very high	95.4	Very high	48 Å²	48	30.3 Å²	30.3	29%	0.294	17%	0.17	S	C	.	.			trans	-85.2	-25.4	172.1	68.7	0	0	0	0	112	I896 D897 T942	I896-T940 PolarHBondContact O-OG1 3.18Å; I896-T940 VanDerWaalsContact O-OG1 3.12Å; D897-T940 WeakPolarHBondContact OD1-CB 3.2Å; D897-T940 PolarHBondContact OD1-N 3.32Å; D897-T940 PolarHBondContact OD1-OG1 2.83Å; D897-T940 PolarHBondContact OD2-N 3.23Å; T940-T942 PolarHBondContact O-N 2.9Å; T940-T942 VanDerWaalsContact O-N 3.12Å
941	C	97.6	Very high	95.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.144	C	C	.	.			trans	-67	110.7	176.4	-68.6	0	0	0	0	110.9	H895 D897 V908 Q939 L943	H895-C941 HydrophobicContact CB-CB 4.38Å; D897-C941 VanDerWaalsContact OD2-CB 3.26Å; D897-C941 WeakPolarHBondContact OD2-CB 3.36Å; D897-C941 PolarHBondContact OD2-N 2.8Å; D897-C941 PolarHBondContact OD2-SG 2.78Å; V908-C941 HydrophobicContact CG2-CB 3.79Å; Q939-C941 PolarHBondContact NE2-O 2.97Å; C941-L943 PolarHBondContact O-N 2.97Å
942	T	96.5	Very high	94.8	Very high	3 Å²	3	28 Å²	28	2%	0.018	15%	0.154	C	C	.	.	S	Bend	trans	-67.9	-13.1	175.4	52.9	0	0	0	0	113.8	H895 T940 V947 W951 V960	H895-T942 PolarHBondContact CD2-OG1 3.24Å; H895-T942 WeakPolarHBondContact NE2-CG2 3.28Å; H895-T942 PolarHBondContact NE2-OG1 2.91Å; H895-T942 VanDerWaalsContact NE2-OG1 3.07Å; T940-T942 PolarHBondContact O-N 2.9Å; T940-T942 VanDerWaalsContact O-N 3.12Å; T942-V947 WeakPolarHBondContact O-CG2 3.2Å; T942-W951 PolarHBondContact O-NE1 3.27Å; T942-V960 HydrophobicContact CG2-CG1 4.23Å
943	L	95	Very high	94.1	Very high	2 Å²	2	31 Å²	31	1%	0.01	18%	0.182	C	C	.	.	S	Bend	trans	-113.1	122.1	169.6	-53.9	-178.7	0	0	0	110.1	F359 I361 V908 I914 C941 W951	F359-L943 HydrophobicContact CE2-CD2 4.11Å; F359-L943 HydrophobicContact CZ-CD2 4.07Å; I361-L943 HydrophobicContact CD1-CD2 3.5Å; I361-L943 VanDerWaalsContact CD1-CD2 3.5Å; V908-L943 HydrophobicContact CG1-CB 4.39Å; V908-L943 HydrophobicContact CG1-CD1 3.8Å; V908-L943 HydrophobicContact CG1-CG 3.95Å; V908-L943 HydrophobicContact CG2-CB 3.87Å; V908-L943 HydrophobicContact CG2-CG 4.33Å; I914-L943 HydrophobicContact CD1-CB 3.67Å; I914-L943 HydrophobicContact CG1-CB 3.74Å; I914-L943 HydrophobicContact CG1-CD1 4.21Å; C941-L943 PolarHBondContact O-N 2.97Å; L943-W951 HydrophobicContact CD2-CZ2 3.69Å
944	G	94.8	Very high	93.3	Very high	6 Å²	6	32.8 Å²	32.8	6%	0.062	19%	0.191	C	C	.	.	S	Bend	trans	-177.1	172.3	-178.7	0	0	0	0	0	110.7	E946 A948	G944-E946 VanDerWaalsContact C-N 3.3Å; G944-A948 PolarHBondContact O-N 3.11Å
945	W	94	Very high	92.7	Very high	10 Å²	10	31.5 Å²	31.5	4%	0.038	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-39.9	173.8	155.9	-108.6	0	0	0	110.9	L357 V368 Y369 M370 P371 I374 Y378 V947 N989	L357-W945 HydrophobicContact CB-CE3 4.02Å; L357-W945 HydrophobicContact CB-CZ3 3.85Å; L357-W945 HydrophobicContact CD2-CE3 4.08Å; L357-W945 HydrophobicContact CD2-CZ3 3.83Å; L357-W945 HydrophobicContact CG-CZ3 4.32Å; V368-W945 HydrophobicContact CB-CB 4.3Å; V368-W945 HydrophobicContact CG2-CB 4.34Å; Y369-W945 WeakPolarHBondContact O-CB 3.48Å; M370-W945 HydrophobicContact CB-CD2 4.15Å; M370-W945 HydrophobicContact CB-CE3 4.12Å; M370-W945 HydrophobicContact CB-CH2 4.26Å; M370-W945 HydrophobicContact CB-CZ2 4.33Å; M370-W945 HydrophobicContact CB-CZ3 4.17Å; M370-W945 HydrophobicContact CE-CH2 3.48Å; M370-W945 VanDerWaalsContact CE-CH2 3.48Å; M370-W945 HydrophobicContact CE-CZ2 4.24Å; M370-W945 HydrophobicContact CE-CZ3 3.76Å; M370-W945 HydrophobicContact CG-CD2 4.16Å; M370-W945 HydrophobicContact CG-CE3 4.34Å; M370-W945 HydrophobicContact CG-CH2 3.71Å; M370-W945 HydrophobicContact CG-CZ2 3.52Å; M370-W945 HydrophobicContact CG-CZ3 4.13Å; M370-W945 HydrophobicContact SD-CH2 3.89Å; M370-W945 HydrophobicContact SD-CZ2 4.05Å; P371-W945 VanDerWaalsContact CD-NE1 3.32Å; I374-W945 HydrophobicContact CG2-CZ2 4.33Å; Y378-W945 AromaticContact CD2-CH2 3.58Å; Y378-W945 HydrophobicContact CD2-CH2 3.58Å; Y378-W945 HydrophobicContact CD2-CZ2 4.22Å; Y378-W945 HydrophobicContact CE1-CH2 4.33Å; Y378-W945 AromaticContact CE2-CH2 3.33Å; Y378-W945 HydrophobicContact CE2-CH2 3.33Å; Y378-W945 HydrophobicContact CE2-CZ2 4.16Å; Y378-W945 HydrophobicContact CE2-CZ3 4.15Å; Y378-W945 HydrophobicContact CG-CH2 4.15Å; Y378-W945 AromaticContact CZ-CH2 3.74Å; W945-V947 PolarHBondContact O-N 2.87Å; W945-N989 HydrophobicContact CD2-CB 4.36Å; W945-N989 HydrophobicContact CE3-CB 4.45Å; W945-N989 HydrophobicContact CH2-CB 4Å; W945-N989 HydrophobicContact CZ2-CB 3.87Å; W945-N989 WeakPolarHBondContact CZ2-ND2 3.39Å; W945-N989 HydrophobicContact CZ3-CB 4.28Å; W945-N989 VanDerWaalsContact O-CB 3.27Å; W945-N989 WeakPolarHBondContact O-CB 3.31Å
946	E	95.6	Very high	92	Very high	28 Å²	28	27 Å²	27	13%	0.131	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-13	-172.3	-47.9	93.2	132.5	0	0	113	R906 W936 G944 Y986 P987 T988	R906-E946 IonicContact CZ-OE1 3.14Å; R906-E946 IonicContact NH1-OE1 2.69Å; R906-E946 PolarHBondContact NH1-OE1 3.05Å; R906-E946 IonicContact NH1-OE2 3.8Å; R906-E946 PolarHBondContact NH1-OE2 2.97Å; W936-E946 VanDerWaalsContact CD1-OE1 3.29Å; G944-E946 VanDerWaalsContact C-N 3.3Å; E946-Y986 HydrophobicContact CB-CE2 3.83Å; E946-P987 HydrophobicContact CB-CB 4.3Å; E946-P987 CarbonylContact O-C 3.59Å; E946-T988 PolarHBondContact O-N 2.83Å
947	V	96.2	Very high	91.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.8	3	-172	-59.2	0	0	0	0	114.4	Q939 T942 W945 G949 I950 L972 T988	Q939-V947 HydrophobicContact CG-CG1 3.56Å; T942-V947 WeakPolarHBondContact O-CG2 3.2Å; W945-V947 PolarHBondContact O-N 2.87Å; V947-G949 PolarHBondContact O-N 3.23Å; V947-I950 HydrophobicContact CB-CD1 4.29Å; V947-I950 HydrophobicContact CB-CG2 4.34Å; V947-I950 WeakPolarHBondContact O-CG1 3.27Å; V947-I950 WeakPolarHBondContact O-CG2 3.45Å; V947-I950 PolarHBondContact O-N 3.11Å; V947-L972 HydrophobicContact CB-CD2 4.31Å; V947-L972 HydrophobicContact CG1-CD1 4.09Å; V947-L972 HydrophobicContact CG1-CD2 3.71Å; V947-T988 CarbonylContact C-O 3.6Å; V947-T988 VanDerWaalsContact C-O 3.24Å; V947-T988 WeakPolarHBondContact CA-O 3.43Å
948	A	94.1	Very high	90.8	Very high	9 Å²	9	26 Å²	26	7%	0.074	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-54.1	-23.4	-175.1	0	0	0	0	0	114.8	L357 F359 V368 G944 T988	L357-A948 HydrophobicContact CD2-CB 3.79Å; F359-A948 HydrophobicContact CD1-CB 3.88Å; F359-A948 HydrophobicContact CE1-CB 3.78Å; F359-A948 HydrophobicContact CZ-CB 4.35Å; V368-A948 HydrophobicContact CG2-CB 4.42Å; G944-A948 PolarHBondContact O-N 3.11Å; A948-T988 PolarHBondContact N-O 2.94Å
949	G	93.8	Very high	90.5	Very high	3 Å²	3	24.8 Å²	24.8	3%	0.031	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-84	-5.6	179.3	0	0	0	0	0	116.7	V947 W951 T988 K990	V947-G949 PolarHBondContact O-N 3.23Å; G949-W951 VanDerWaalsContact C-N 3.25Å; G949-W951 PolarHBondContact O-N 3.33Å; G949-T988 WeakPolarHBondContact CA-O 3.2Å; G949-T988 PolarHBondContact N-O 3.13Å; G949-K990 WeakPolarHBondContact CA-O 3.41Å
950	I	95.3	Very high	90.4	Very high	5 Å²	5	25 Å²	25	3%	0.026	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-70.6	-23.9	178.4	71.7	-174.5	0	0	0	112.8	V947 V960 L972 T974 F984 T988	V947-I950 HydrophobicContact CB-CD1 4.29Å; V947-I950 HydrophobicContact CB-CG2 4.34Å; V947-I950 WeakPolarHBondContact O-CG1 3.27Å; V947-I950 WeakPolarHBondContact O-CG2 3.45Å; V947-I950 PolarHBondContact O-N 3.11Å; I950-V960 HydrophobicContact CD1-CG1 3.99Å; I950-L972 HydrophobicContact CG2-CD2 3.54Å; I950-T974 HydrophobicContact CB-CG2 4.08Å; I950-T974 HydrophobicContact CD1-CG2 4.18Å; I950-T974 HydrophobicContact CG2-CG2 3.81Å; I950-F984 HydrophobicContact CB-CE2 4.27Å; I950-F984 HydrophobicContact CB-CZ 4.12Å; I950-F984 HydrophobicContact CG2-CD2 4.29Å; I950-F984 HydrophobicContact CG2-CE2 4.09Å; I950-F984 HydrophobicContact CG2-CZ 4.24Å; I950-T988 HydrophobicContact CG2-CG2 3.91Å
951	W	92.4	Very high	90.4	Very high	23 Å²	23	24.1 Å²	24.1	9%	0.087	14%	0.144	C	C	.	.	S	Bend	trans	-80.1	128.8	-171.5	-65.8	98.5	0	0	0	112.2	I361 T942 L943 G949 S955 G957 V960	I361-W951 HydrophobicContact CD1-CD2 4.14Å; I361-W951 HydrophobicContact CD1-CG 4.45Å; I361-W951 HydrophobicContact CD1-CZ2 4.41Å; T942-W951 PolarHBondContact O-NE1 3.27Å; L943-W951 HydrophobicContact CD2-CZ2 3.69Å; G949-W951 VanDerWaalsContact C-N 3.25Å; G949-W951 PolarHBondContact O-N 3.33Å; W951-S955 VanDerWaalsContact CE3-OG 3.27Å; W951-G957 WeakPolarHBondContact CH2-O 3.28Å; W951-V960 HydrophobicContact CD2-CG2 4.37Å; W951-V960 HydrophobicContact CE3-CB 4.17Å; W951-V960 HydrophobicContact CE3-CG2 3.84Å; W951-V960 HydrophobicContact CH2-CB 3.85Å; W951-V960 HydrophobicContact CH2-CG2 4.44Å; W951-V960 HydrophobicContact CZ2-CB 4.33Å; W951-V960 HydrophobicContact CZ3-CB 3.75Å; W951-V960 HydrophobicContact CZ3-CG2 3.88Å
952	P	86.2	Confident	90.4	Very high	45 Å²	45	24.4 Å²	24.4	29%	0.292	15%	0.146	S	C	.	.			trans	-55.9	150	169.6	-26	34	0	0	0	113	D954 S955	P952-D954 PolarHBondContact O-N 3.28Å; P952-S955 WeakPolarHBondContact O-CB 3.41Å; P952-S955 PolarHBondContact O-N 3.23Å
953	S	80	Confident	90.5	Very high	105 Å²	105	24.4 Å²	24.4	73%	0.734	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-21.5	-179.9	47.5	0	0	0	0	114.5
954	D	77.6	Confident	90.6	Very high	125 Å²	125	24.8 Å²	24.8	67%	0.668	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.7	11.4	175.6	49	-25	0	0	0	112.4	P952	P952-D954 PolarHBondContact O-N 3.28Å
955	S	82	Confident	90.8	Very high	11 Å²	11	27.9 Å²	27.9	8%	0.077	16%	0.158	C	C	.	.			trans	-64.5	139.6	-172.7	-177.3	0	0	0	0	114.1	W951 P952 G957 D959	W951-S955 VanDerWaalsContact CE3-OG 3.27Å; P952-S955 WeakPolarHBondContact O-CB 3.41Å; P952-S955 PolarHBondContact O-N 3.23Å; S955-G957 PolarHBondContact OG-N 2.91Å; S955-G957 VanDerWaalsContact OG-N 3.09Å; S955-D959 WeakPolarHBondContact CA-OD2 3.48Å; S955-D959 VanDerWaalsContact CB-OD2 3.28Å; S955-D959 WeakPolarHBondContact CB-OD2 3.44Å; S955-D959 PolarHBondContact OG-OD2 3.04Å
956	D	80	Confident	90.9	Very high	36 Å²	36	27.5 Å²	27.5	19%	0.193	16%	0.157	C	C	.	.			trans	-93.1	1.7	174.2	103.6	-29.9	0	0	0	113.3	R362 Y912 T958 D959	R362-D956 VanDerWaalsContact CD-O 3.29Å; R362-D956 WeakPolarHBondContact CD-O 3.36Å; R362-D956 HydrophobicContact CG-CB 4.1Å; R362-D956 VanDerWaalsContact CG-O 3.27Å; R362-D956 WeakPolarHBondContact CG-O 3.38Å; R362-D956 VanDerWaalsContact CZ-O 3.24Å; R362-D956 IonicContact CZ-OD2 2.95Å; R362-D956 PolarHBondContact NE-O 2.88Å; R362-D956 IonicContact NE-OD2 3.57Å; R362-D956 IonicContact NH2-OD1 3.47Å; R362-D956 IonicContact NH2-OD2 2.75Å; R362-D956 PolarHBondContact NH2-OD2 3.32Å; Y912-D956 PolarHBondContact OH-O 2.86Å; D956-T958 PolarHBondContact O-N 2.86Å; D956-T958 WeakPolarHBondContact OD1-CA 3.33Å; D956-T958 WeakPolarHBondContact OD1-CB 3.33Å; D956-T958 PolarHBondContact OD1-N 2.83Å; D956-T958 PolarHBondContact OD1-OG1 2.99Å; D956-T958 PolarHBondContact OD2-OG1 2.69Å; D956-D959 PolarHBondContact N-OD2 2.79Å
957	G	80.7	Confident	90.8	Very high	6 Å²	6	29.2 Å²	29.2	6%	0.062	17%	0.171	C	C	.	.	S	Bend	trans	78.1	-3.8	178.5	0	0	0	0	0	115.3	I361 Y912 W951 S955	I361-G957 VanDerWaalsContact CG2-CA 3.45Å; Y912-G957 WeakPolarHBondContact CE1-O 3.47Å; W951-G957 WeakPolarHBondContact CH2-O 3.28Å; S955-G957 PolarHBondContact OG-N 2.91Å; S955-G957 VanDerWaalsContact OG-N 3.09Å
958	T	85.2	Confident	90.6	Very high	42 Å²	42	34 Å²	34	26%	0.258	20%	0.2	S	C	.	.			trans	-103.4	-5.3	165.9	56.8	0	0	0	0	112.8	D956 V960	D956-T958 PolarHBondContact O-N 2.86Å; D956-T958 WeakPolarHBondContact OD1-CA 3.33Å; D956-T958 WeakPolarHBondContact OD1-CB 3.33Å; D956-T958 PolarHBondContact OD1-N 2.83Å; D956-T958 PolarHBondContact OD1-OG1 2.99Å; D956-T958 PolarHBondContact OD2-OG1 2.69Å; T958-V960 VanDerWaalsContact C-N 3.28Å; T958-V960 PolarHBondContact O-N 3.15Å
959	D	89.3	Confident	90.5	Very high	10 Å²	10	34.9 Å²	34.9	5%	0.053	21%	0.207	C	C	.	.	S	Bend	trans	-60.4	-27.8	-178.8	-60.3	-78.8	0	0	0	115.3	S955 D956 D976 D977 Y978	S955-D959 WeakPolarHBondContact CA-OD2 3.48Å; S955-D959 VanDerWaalsContact CB-OD2 3.28Å; S955-D959 WeakPolarHBondContact CB-OD2 3.44Å; S955-D959 PolarHBondContact OG-OD2 3.04Å; D956-D959 PolarHBondContact N-OD2 2.79Å; D959-D976 CarbonylContact O-C 3.59Å; D959-D976 VanDerWaalsContact O-CA 3.23Å; D959-D976 WeakPolarHBondContact O-CA 3.27Å; D959-D976 VanDerWaalsContact O-CB 3.24Å; D959-D976 WeakPolarHBondContact O-CB 3.48Å; D959-D977 PolarHBondContact O-N 3.21Å; D959-Y978 HydrophobicContact CB-CE2 4.11Å; D959-Y978 WeakPolarHBondContact OD1-CE2 3.29Å; D959-Y978 VanDerWaalsContact OD1-CZ 3.31Å; D959-Y978 PolarHBondContact OD1-OH 2.82Å
960	V	95.2	Very high	90.6	Very high	7 Å²	7	40.5 Å²	40.5	4%	0.042	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	112.2	-175.5	-174.9	0	0	0	0	109.3	T942 I950 W951 T958	T942-V960 HydrophobicContact CG2-CG1 4.23Å; I950-V960 HydrophobicContact CD1-CG1 3.99Å; W951-V960 HydrophobicContact CD2-CG2 4.37Å; W951-V960 HydrophobicContact CE3-CB 4.17Å; W951-V960 HydrophobicContact CE3-CG2 3.84Å; W951-V960 HydrophobicContact CH2-CB 3.85Å; W951-V960 HydrophobicContact CH2-CG2 4.44Å; W951-V960 HydrophobicContact CZ2-CB 4.33Å; W951-V960 HydrophobicContact CZ3-CB 3.75Å; W951-V960 HydrophobicContact CZ3-CG2 3.88Å; T958-V960 VanDerWaalsContact C-N 3.28Å; T958-V960 PolarHBondContact O-N 3.15Å
961	N	96.4	Very high	90.7	Very high	31 Å²	31	40.5 Å²	40.5	17%	0.166	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-30.7	-172.8	-72.9	-63.7	0	0	0	113.1	W720 H895 G975 D977 V1005	W720-N961 HydrophobicContact CZ3-CB 4.39Å; H895-N961 PolarHBondContact CE1-O 3.37Å; H895-N961 VanDerWaalsContact CE1-O 3.25Å; N961-G975 PolarHBondContact N-O 3.07Å; N961-D977 PolarHBondContact ND2-OD1 2.94Å; N961-V1005 WeakPolarHBondContact CB-O 3.4Å
962	A	97.9	Very high	91	Very high	6 Å²	6	39.4 Å²	39.4	5%	0.05	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	154.3	-177.5	0	0	0	0	0	112.3	T974 G975 V1008	A962-T974 CarbonylContact O-C 3.54Å; A962-T974 VanDerWaalsContact O-CA 3.26Å; A962-T974 WeakPolarHBondContact O-CA 3.49Å; A962-G975 PolarHBondContact O-N 3.34Å; A962-V1008 HydrophobicContact CB-CG2 4.15Å
963	C	98.3	Very high	91.6	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.02	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	157.5	164.7	62	0	0	0	0	111.6	Q939 L972 A973 T974	Q939-C963 CarbonylContact O-C 3.52Å; Q939-C963 PolarHBondContact O-SG 2.79Å; C963-L972 HydrophobicContact CB-CD1 4.41Å; C963-A973 CarbonylContact C-O 3.58Å; C963-A973 WeakPolarHBondContact CA-O 3.46Å; C963-A973 WeakPolarHBondContact CB-O 3.21Å; C963-T974 HydrophobicContact CB-CG2 3.93Å
964	D	98.4	Very high	92.5	Very high	10 Å²	10	32.3 Å²	32.3	5%	0.053	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	151.3	169.4	-168.1	14.8	0	0	0	110.3	K724 L972 A973 T1009 F1010	K724-D964 IonicContact NZ-OD1 3.93Å; K724-D964 IonicContact NZ-OD2 2.79Å; K724-D964 PolarHBondContact NZ-OD2 2.82Å; D964-L972 WeakPolarHBondContact O-CD1 2.99Å; D964-A973 PolarHBondContact N-O 3.28Å; D964-A973 PolarHBondContact O-N 2.95Å; D964-T1009 WeakPolarHBondContact OD2-CA 3.29Å; D964-T1009 WeakPolarHBondContact OD2-CB 3.26Å; D964-T1009 PolarHBondContact OD2-OG1 2.76Å; D964-F1010 HydrophobicContact CB-CD2 4.33Å; D964-F1010 WeakPolarHBondContact O-CE2 3.46Å; D964-F1010 PolarHBondContact OD2-N 3.01Å
965	R	97.7	Very high	93.5	Very high	71 Å²	71	26.3 Å²	26.3	27%	0.268	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	138.9	177.9	-177.9	178.2	74	113.6	-14.6	109.2	Q939 L972 Y986	Q939-R965 HydrophobicContact CB-CB 3.98Å; R965-L972 HydrophobicContact CB-CD1 4.34Å; R965-Y986 VanDerWaalsContact CD-CE1 3.4Å; R965-Y986 HydrophobicContact CG-CD1 4.32Å; R965-Y986 HydrophobicContact CG-CD2 4.1Å; R965-Y986 HydrophobicContact CG-CE1 4.49Å; R965-Y986 HydrophobicContact CG-CE2 4.27Å; R965-Y986 HydrophobicContact CG-CG 4.12Å
966	S	96.8	Very high	94.1	Very high	1 Å²	1	26 Å²	26	1%	0.007	15%	0.149	C	C	.	.			trans	-65.4	136	172	173.2	0	0	0	0	110.5	T968 A969 I971	S966-T968 PolarHBondContact O-N 2.62Å; S966-T968 PolarHBondContact OG-N 3.11Å; S966-A969 WeakPolarHBondContact CB-O 3.41Å; S966-A969 PolarHBondContact OG-N 3.43Å; S966-I971 VanDerWaalsContact CB-CG1 3.46Å; S966-I971 PolarHBondContact N-O 3.18Å
967	P	93.5	Very high	94.7	Very high	65 Å²	65	25 Å²	25	42%	0.422	14%	0.144	S	C	.	.	S	Bend	trans	-69.9	-15.9	176.5	29.7	-35.5	0	0	0	113.2	Y1012	P967-Y1012 WeakPolarHBondContact CG-O 3.41Å
968	T	91.8	Very high	95.3	Very high	100 Å²	100	29 Å²	29	61%	0.613	16%	0.158	S	C	*	.	S	Bend	trans	-127.3	-7.1	-168.9	48.5	0	0	0	0	115	S966 D1013	S966-T968 PolarHBondContact O-N 2.62Å; S966-T968 PolarHBondContact OG-N 3.11Å; T968-D1013 WeakPolarHBondContact CG2-O 2.86Å; T968-D1013 PolarHBondContact OG1-O 3.21Å
969	A	92	Very high	95.7	Very high	28 Å²	28	27 Å²	27	23%	0.231	15%	0.146	C	C	.	.	S	Bend	trans	-142.6	153.7	-179.6	0	0	0	0	0	112.4	S966 I971	S966-A969 WeakPolarHBondContact CB-O 3.41Å; S966-A969 PolarHBondContact OG-N 3.43Å; A969-I971 HydrophobicContact CB-CD1 4.13Å; A969-I971 HydrophobicContact CB-CG1 4.07Å; A969-I971 PolarHBondContact O-N 3.42Å
970	D	95.6	Very high	96.1	Very high	121 Å²	121	28.1 Å²	28.1	65%	0.647	15%	0.15	S	C	*	.	S	Bend	trans	-75.6	56.3	179.1	-67	-41.9	0	0	0	112.7	K985 Y986	D970-K985 WeakPolarHBondContact O-CA 3.23Å; D970-Y986 PolarHBondContact O-N 2.93Å
971	I	97.7	Very high	96.2	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.026	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.5	-178.7	63.4	-176	0	0	0	111.7	P387 T389 S966 A969 L983 F984 F1010 V1032	P387-I971 HydrophobicContact CB-CG2 4Å; T389-I971 HydrophobicContact CG2-CD1 4.13Å; S966-I971 VanDerWaalsContact CB-CG1 3.46Å; S966-I971 PolarHBondContact N-O 3.18Å; A969-I971 HydrophobicContact CB-CD1 4.13Å; A969-I971 HydrophobicContact CB-CG1 4.07Å; A969-I971 PolarHBondContact O-N 3.42Å; I971-L983 HydrophobicContact CB-CD1 4.27Å; I971-L983 HydrophobicContact CB-CG 4.49Å; I971-L983 HydrophobicContact CD1-CD1 4.25Å; I971-L983 HydrophobicContact CG1-CD1 4.47Å; I971-F984 VanDerWaalsContact CA-O 3.3Å; I971-F984 WeakPolarHBondContact CA-O 3.44Å; I971-F1010 HydrophobicContact CD1-CE1 3.93Å; I971-F1010 HydrophobicContact CD1-CZ 3.94Å; I971-F1010 HydrophobicContact CG1-CE1 4.34Å; I971-F1010 HydrophobicContact CG1-CZ 3.91Å; I971-V1032 HydrophobicContact CD1-CG1 3.97Å
972	L	98.5	Very high	96.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133	176.3	-174.4	84	0	0	0	108.7	Q939 V947 I950 C963 D964 R965 T974 L983 F984 Y986 T988	Q939-L972 HydrophobicContact CG-CD1 3.87Å; V947-L972 HydrophobicContact CB-CD2 4.31Å; V947-L972 HydrophobicContact CG1-CD1 4.09Å; V947-L972 HydrophobicContact CG1-CD2 3.71Å; I950-L972 HydrophobicContact CG2-CD2 3.54Å; C963-L972 HydrophobicContact CB-CD1 4.41Å; D964-L972 WeakPolarHBondContact O-CD1 2.99Å; R965-L972 HydrophobicContact CB-CD1 4.34Å; L972-T974 HydrophobicContact CD2-CG2 4.29Å; L972-L983 WeakPolarHBondContact O-CA 3.46Å; L972-F984 HydrophobicContact CB-CB 4.44Å; L972-F984 PolarHBondContact N-O 2.9Å; L972-F984 PolarHBondContact O-N 2.53Å; L972-Y986 HydrophobicContact CB-CD2 4.34Å; L972-Y986 HydrophobicContact CD1-CD2 4.12Å; L972-T988 WeakPolarHBondContact CD2-OG1 3.47Å
973	A	98.6	Very high	96.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	147.5	171.3	0	0	0	0	0	110.6	C963 D964 K982 L983 F1010 L1017	C963-A973 CarbonylContact C-O 3.58Å; C963-A973 WeakPolarHBondContact CA-O 3.46Å; C963-A973 WeakPolarHBondContact CB-O 3.21Å; D964-A973 PolarHBondContact N-O 3.28Å; D964-A973 PolarHBondContact O-N 2.95Å; A973-K982 CarbonylContact C-O 3.59Å; A973-K982 VanDerWaalsContact CA-O 3.3Å; A973-K982 WeakPolarHBondContact CA-O 3.18Å; A973-L983 HydrophobicContact CB-CD1 4.29Å; A973-F1010 HydrophobicContact CB-CD2 4.46Å; A973-F1010 HydrophobicContact CB-CE2 3.58Å; A973-F1010 HydrophobicContact CB-CZ 3.78Å; A973-L1017 HydrophobicContact CB-CD1 3.54Å; A973-L1017 HydrophobicContact CB-CD2 3.75Å; A973-L1017 HydrophobicContact CB-CG 4.33Å
974	T	98.6	Very high	96.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	143.7	172.9	71.9	0	0	0	0	112	I950 A962 C963 L972 V981 K982 F984	I950-T974 HydrophobicContact CB-CG2 4.08Å; I950-T974 HydrophobicContact CD1-CG2 4.18Å; I950-T974 HydrophobicContact CG2-CG2 3.81Å; A962-T974 CarbonylContact O-C 3.54Å; A962-T974 VanDerWaalsContact O-CA 3.26Å; A962-T974 WeakPolarHBondContact O-CA 3.49Å; C963-T974 HydrophobicContact CB-CG2 3.93Å; L972-T974 HydrophobicContact CD2-CG2 4.29Å; T974-V981 WeakPolarHBondContact O-CA 3.44Å; T974-K982 PolarHBondContact N-O 2.6Å; T974-K982 PolarHBondContact O-N 3Å; T974-F984 HydrophobicContact CG2-CD2 4.13Å; T974-F984 HydrophobicContact CG2-CE2 3.82Å
975	G	98.2	Very high	96.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	134.9	167.3	0	0	0	0	0	111.8	N961 A962	N961-G975 PolarHBondContact N-O 3.07Å; A962-G975 PolarHBondContact O-N 3.34Å
976	D	95.3	Very high	96.2	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.016	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	164.4	-177.4	84.2	9.6	0	0	0	115.1	D959 Y978 G979 K980 K982 V1005	D959-D976 CarbonylContact O-C 3.59Å; D959-D976 VanDerWaalsContact O-CA 3.23Å; D959-D976 WeakPolarHBondContact O-CA 3.27Å; D959-D976 VanDerWaalsContact O-CB 3.24Å; D959-D976 WeakPolarHBondContact O-CB 3.48Å; D976-Y978 HydrophobicContact CB-CD2 4.47Å; D976-Y978 PolarHBondContact O-N 3.12Å; D976-Y978 VanDerWaalsContact O-N 3.14Å; D976-Y978 WeakPolarHBondContact OD1-CA 3.16Å; D976-Y978 WeakPolarHBondContact OD1-CB 3.27Å; D976-Y978 PolarHBondContact OD1-N 2.95Å; D976-G979 PolarHBondContact O-N 2.82Å; D976-G979 PolarHBondContact OD1-N 3.42Å; D976-K980 PolarHBondContact N-O 3.34Å; D976-K980 WeakPolarHBondContact OD1-CB 3.39Å; D976-K980 PolarHBondContact OD1-N 3.14Å; D976-K982 WeakPolarHBondContact OD2-CE 3.36Å; D976-K982 IonicContact OD2-NZ 3.92Å; D976-K982 PolarHBondContact OD2-NZ 2.95Å; D976-V1005 PolarHBondContact O-N 3.18Å
977	D	93.5	Very high	96.2	Very high	16 Å²	16	30.5 Å²	30.5	9%	0.086	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-6	-179.1	-130.2	51.4	0	0	0	113.6	R38 D959 N961 H1004	R38-D977 IonicContact CZ-OD2 2.72Å; R38-D977 IonicContact NH1-OD2 3.54Å; R38-D977 PolarHBondContact NH1-OD2 3.4Å; D959-D977 PolarHBondContact O-N 3.21Å; N961-D977 PolarHBondContact ND2-OD1 2.94Å; D977-H1004 VanDerWaalsContact CG-ND1 3.28Å; D977-H1004 PolarHBondContact O-ND1 3.31Å; D977-H1004 WeakPolarHBondContact OD1-CB 3.48Å; D977-H1004 IonicContact OD1-CD2 2.7Å; D977-H1004 PolarHBondContact OD1-CD2 2.97Å; D977-H1004 IonicContact OD1-CE1 2.57Å; D977-H1004 IonicContact OD1-CG 3.61Å; D977-H1004 IonicContact OD1-ND1 3.59Å; D977-H1004 PolarHBondContact OD1-ND1 2.83Å; D977-H1004 IonicContact OD2-CE1 3.36Å; D977-H1004 PolarHBondContact OD2-CE1 2.96Å; D977-H1004 VanDerWaalsContact OD2-CE1 3.24Å; D977-H1004 IonicContact OD2-CG 3.47Å; D977-H1004 IonicContact OD2-ND1 3.26Å; D977-H1004 PolarHBondContact OD2-ND1 2.54Å; D977-H1004 IonicContact OD2-NE2 3.42Å
978	Y	91.9	Very high	96.3	Very high	89 Å²	89	27.4 Å²	27.4	35%	0.349	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106	13.9	-177.1	-52.7	-85.3	0	0	0	112.6	H464 D959 D976 K980	H464-Y978 HydrophobicContact CB-CD1 4.36Å; D959-Y978 HydrophobicContact CB-CE2 4.11Å; D959-Y978 WeakPolarHBondContact OD1-CE2 3.29Å; D959-Y978 VanDerWaalsContact OD1-CZ 3.31Å; D959-Y978 PolarHBondContact OD1-OH 2.82Å; D976-Y978 HydrophobicContact CB-CD2 4.47Å; D976-Y978 PolarHBondContact O-N 3.12Å; D976-Y978 VanDerWaalsContact O-N 3.14Å; D976-Y978 WeakPolarHBondContact OD1-CA 3.16Å; D976-Y978 WeakPolarHBondContact OD1-CB 3.27Å; D976-Y978 PolarHBondContact OD1-N 2.95Å; Y978-K980 VanDerWaalsContact C-N 3.32Å; Y978-K980 WeakPolarHBondContact O-CE 3.24Å; Y978-K980 PolarHBondContact O-N 3.39Å
979	G	95.1	Very high	96.4	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.01	12%	0.117	C	C	.	.	S	Bend	trans	72.7	21.3	178.7	0	0	0	0	0	113.9	D976 S1003	D976-G979 PolarHBondContact O-N 2.82Å; D976-G979 PolarHBondContact OD1-N 3.42Å; G979-S1003 WeakPolarHBondContact CA-O 3.17Å
980	K	96.2	Very high	96.4	Very high	33 Å²	33	23.2 Å²	23.2	14%	0.143	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.6	179.8	-46	-55.3	163.9	-152.6	0	111.2	D976 Y978 K982 N999	D976-K980 PolarHBondContact N-O 3.34Å; D976-K980 WeakPolarHBondContact OD1-CB 3.39Å; D976-K980 PolarHBondContact OD1-N 3.14Å; Y978-K980 VanDerWaalsContact C-N 3.32Å; Y978-K980 WeakPolarHBondContact O-CE 3.24Å; Y978-K980 PolarHBondContact O-N 3.39Å; K980-K982 HydrophobicContact CB-CG 4.44Å; K980-N999 WeakPolarHBondContact CE-OD1 3.46Å; K980-N999 PolarHBondContact NZ-OD1 2.62Å
981	V	98.5	Very high	96.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	130.1	155.5	177.7	0	0	0	0	106.9	L391 T974 A997 Y998 V1005 L1017 W1030	L391-V981 HydrophobicContact CD1-CG1 3.83Å; T974-V981 WeakPolarHBondContact O-CA 3.44Å; V981-A997 WeakPolarHBondContact O-CA 3.22Å; V981-Y998 PolarHBondContact N-O 3.3Å; V981-Y998 PolarHBondContact O-N 2.94Å; V981-V1005 HydrophobicContact CG2-CG1 4.24Å; V981-L1017 HydrophobicContact CG1-CD2 3.63Å; V981-W1030 HydrophobicContact CB-CZ2 4.25Å; V981-W1030 HydrophobicContact CG2-CZ2 3.85Å
982	K	98.2	Very high	95.8	Very high	18 Å²	18	25.6 Å²	25.6	8%	0.078	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	146.3	175.2	-61.7	169.4	-173.7	148.1	0	110.7	A973 T974 D976 K980 F984 F995 R996 A997	A973-K982 CarbonylContact C-O 3.59Å; A973-K982 VanDerWaalsContact CA-O 3.3Å; A973-K982 WeakPolarHBondContact CA-O 3.18Å; T974-K982 PolarHBondContact N-O 2.6Å; T974-K982 PolarHBondContact O-N 3Å; D976-K982 WeakPolarHBondContact OD2-CE 3.36Å; D976-K982 IonicContact OD2-NZ 3.92Å; D976-K982 PolarHBondContact OD2-NZ 2.95Å; K980-K982 HydrophobicContact CB-CG 4.44Å; K982-F984 HydrophobicContact CB-CD2 4.31Å; K982-F984 HydrophobicContact CB-CE2 3.69Å; K982-F984 HydrophobicContact CB-CZ 4.37Å; K982-F984 HydrophobicContact CD-CE2 4.25Å; K982-F984 HydrophobicContact CD-CZ 4.23Å; K982-F995 HydrophobicContact CB-CB 4.37Å; K982-F995 HydrophobicContact CB-CD2 4.16Å; K982-F995 HydrophobicContact CB-CG 4.37Å; K982-F995 HydrophobicContact CD-CD1 4.45Å; K982-F995 HydrophobicContact CD-CD2 3.85Å; K982-F995 HydrophobicContact CD-CE1 4.41Å; K982-F995 HydrophobicContact CD-CE2 3.82Å; K982-F995 HydrophobicContact CD-CG 4.19Å; K982-F995 HydrophobicContact CD-CZ 4.11Å; K982-F995 HydrophobicContact CG-CD2 3.81Å; K982-F995 HydrophobicContact CG-CE2 4.07Å; K982-F995 HydrophobicContact CG-CG 4.37Å; K982-R996 CarbonylContact C-O 3.56Å; K982-R996 VanDerWaalsContact CA-O 3.23Å; K982-R996 WeakPolarHBondContact CA-O 3.42Å; K982-A997 HydrophobicContact CG-CB 4.25Å
983	L	98.4	Very high	95.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.4	175.4	-163	77.3	0	0	0	110.2	P387 L391 I971 L972 A973 F995 R996 Y998 F1010	P387-L983 HydrophobicContact CB-CD2 4.36Å; P387-L983 VanDerWaalsContact CD-O 3.24Å; P387-L983 WeakPolarHBondContact CD-O 3.44Å; P387-L983 HydrophobicContact CG-CB 4.16Å; P387-L983 HydrophobicContact CG-CD2 3.79Å; P387-L983 HydrophobicContact CG-CG 3.84Å; P387-L983 WeakPolarHBondContact CG-O 3.33Å; L391-L983 HydrophobicContact CD2-CD1 4.32Å; L391-L983 HydrophobicContact CD2-CD2 4.42Å; L391-L983 HydrophobicContact CG-CD1 4.41Å; L391-L983 HydrophobicContact CG-CD2 4.28Å; I971-L983 HydrophobicContact CB-CD1 4.27Å; I971-L983 HydrophobicContact CB-CG 4.49Å; I971-L983 HydrophobicContact CD1-CD1 4.25Å; I971-L983 HydrophobicContact CG1-CD1 4.47Å; L972-L983 WeakPolarHBondContact O-CA 3.46Å; A973-L983 HydrophobicContact CB-CD1 4.29Å; L983-F995 VanDerWaalsContact O-CA 3.31Å; L983-F995 WeakPolarHBondContact O-CA 3.39Å; L983-F995 WeakPolarHBondContact O-CB 3.27Å; L983-R996 HydrophobicContact CB-CB 4.48Å; L983-R996 PolarHBondContact N-O 2.92Å; L983-R996 PolarHBondContact O-N 2.86Å; L983-Y998 HydrophobicContact CB-CE2 4.17Å; L983-F1010 HydrophobicContact CD1-CZ 3.88Å
984	F	98.4	Very high	95.5	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	164.5	179.9	-62.1	-101.1	0	0	0	110.7	I950 I971 L972 T974 K982 T988 A993 F995	I950-F984 HydrophobicContact CB-CE2 4.27Å; I950-F984 HydrophobicContact CB-CZ 4.12Å; I950-F984 HydrophobicContact CG2-CD2 4.29Å; I950-F984 HydrophobicContact CG2-CE2 4.09Å; I950-F984 HydrophobicContact CG2-CZ 4.24Å; I971-F984 VanDerWaalsContact CA-O 3.3Å; I971-F984 WeakPolarHBondContact CA-O 3.44Å; L972-F984 HydrophobicContact CB-CB 4.44Å; L972-F984 PolarHBondContact N-O 2.9Å; L972-F984 PolarHBondContact O-N 2.53Å; T974-F984 HydrophobicContact CG2-CD2 4.13Å; T974-F984 HydrophobicContact CG2-CE2 3.82Å; K982-F984 HydrophobicContact CB-CD2 4.31Å; K982-F984 HydrophobicContact CB-CE2 3.69Å; K982-F984 HydrophobicContact CB-CZ 4.37Å; K982-F984 HydrophobicContact CD-CE2 4.25Å; K982-F984 HydrophobicContact CD-CZ 4.23Å; F984-T988 HydrophobicContact CB-CG2 3.83Å; F984-T988 WeakPolarHBondContact CB-OG1 3.49Å; F984-T988 HydrophobicContact CD1-CG2 3.41Å; F984-T988 VanDerWaalsContact CD1-CG2 3.41Å; F984-T988 HydrophobicContact CE1-CG2 4.04Å; F984-T988 HydrophobicContact CG-CG2 3.77Å; F984-A993 HydrophobicContact CD1-CB 4.05Å; F984-A993 HydrophobicContact CE1-CB 4.21Å; F984-F995 HydrophobicContact CD1-CB 3.74Å; F984-F995 HydrophobicContact CD1-CD1 4.36Å; F984-F995 HydrophobicContact CD2-CB 4.23Å; F984-F995 HydrophobicContact CE1-CB 3.69Å; F984-F995 AromaticContact CE1-CD1 3.52Å; F984-F995 HydrophobicContact CE1-CD1 3.52Å; F984-F995 AromaticContact CE1-CG 3.98Å; F984-F995 HydrophobicContact CE1-CG 3.98Å; F984-F995 HydrophobicContact CE2-CB 4.15Å; F984-F995 HydrophobicContact CG-CB 4.03Å; F984-F995 HydrophobicContact CZ-CB 3.89Å; F984-F995 AromaticContact CZ-CD1 3.69Å; F984-F995 HydrophobicContact CZ-CD1 3.69Å; F984-F995 AromaticContact CZ-CG 3.98Å; F984-F995 HydrophobicContact CZ-CG 3.98Å
985	K	97.5	Very high	95.5	Very high	64 Å²	64	33.7 Å²	33.7	28%	0.278	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	140.5	161	-68	-166.9	175.4	-166.8	0	110.2	L384 A386 P387 D388 D970 P987 T988	L384-K985 HydrophobicContact CD1-CB 4.09Å; L384-K985 HydrophobicContact CD2-CB 4.46Å; L384-K985 HydrophobicContact CG-CB 4.4Å; A386-K985 VanDerWaalsContact O-CE 3.26Å; A386-K985 WeakPolarHBondContact O-CE 3.46Å; P387-K985 HydrophobicContact CB-CG 3.99Å; D388-K985 WeakPolarHBondContact OD2-CE 3.34Å; D388-K985 IonicContact OD2-NZ 3.34Å; D388-K985 PolarHBondContact OD2-NZ 3.04Å; D970-K985 WeakPolarHBondContact O-CA 3.23Å; K985-P987 CarbonylContact O-C 3.5Å; K985-T988 PolarHBondContact O-N 3.43Å; K985-T988 PolarHBondContact O-OG1 3.38Å
986	Y	96.7	Very high	95.4	Very high	49 Å²	49	38 Å²	38	19%	0.192	17%	0.173	C	C	.	.	S	Bend	trans	-97.6	140.9	173.3	-176.2	-94.6	0	0	0	110.5	Q939 E946 R965 D970 L972	Q939-Y986 HydrophobicContact CG-CE2 4.27Å; E946-Y986 HydrophobicContact CB-CE2 3.83Å; R965-Y986 VanDerWaalsContact CD-CE1 3.4Å; R965-Y986 HydrophobicContact CG-CD1 4.32Å; R965-Y986 HydrophobicContact CG-CD2 4.1Å; R965-Y986 HydrophobicContact CG-CE1 4.49Å; R965-Y986 HydrophobicContact CG-CE2 4.27Å; R965-Y986 HydrophobicContact CG-CG 4.12Å; D970-Y986 PolarHBondContact O-N 2.93Å; L972-Y986 HydrophobicContact CB-CD2 4.34Å; L972-Y986 HydrophobicContact CD1-CD2 4.12Å
987	P	96	Very high	95.5	Very high	48 Å²	48	40.6 Å²	40.6	31%	0.312	20%	0.195	S	C	.	.	S	Bend	cis	-70.3	136.9	-11.8	29.7	-34.9	0	0	0	111.9	E946 K985 N989	E946-P987 HydrophobicContact CB-CB 4.3Å; E946-P987 CarbonylContact O-C 3.59Å; K985-P987 CarbonylContact O-C 3.5Å; P987-N989 VanDerWaalsContact C-N 3.25Å; P987-N989 PolarHBondContact O-N 2.88Å
988	T	95.9	Very high	95.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.197	C	C	.	.			trans	-84.4	64.3	177.9	-44.2	0	0	0	0	110.4	L384 E946 V947 A948 G949 I950 L972 F984 K985 A993	L384-T988 HydrophobicContact CD2-CG2 4.17Å; E946-T988 PolarHBondContact O-N 2.83Å; V947-T988 CarbonylContact C-O 3.6Å; V947-T988 VanDerWaalsContact C-O 3.24Å; V947-T988 WeakPolarHBondContact CA-O 3.43Å; A948-T988 PolarHBondContact N-O 2.94Å; G949-T988 WeakPolarHBondContact CA-O 3.2Å; G949-T988 PolarHBondContact N-O 3.13Å; I950-T988 HydrophobicContact CG2-CG2 3.91Å; L972-T988 WeakPolarHBondContact CD2-OG1 3.47Å; F984-T988 HydrophobicContact CB-CG2 3.83Å; F984-T988 WeakPolarHBondContact CB-OG1 3.49Å; F984-T988 HydrophobicContact CD1-CG2 3.41Å; F984-T988 VanDerWaalsContact CD1-CG2 3.41Å; F984-T988 HydrophobicContact CE1-CG2 4.04Å; F984-T988 HydrophobicContact CG-CG2 3.77Å; K985-T988 PolarHBondContact O-N 3.43Å; K985-T988 PolarHBondContact O-OG1 3.38Å; T988-A993 HydrophobicContact CG2-CB 3.8Å
989	N	93.4	Very high	95.8	Very high	15 Å²	15	40.1 Å²	40.1	8%	0.08	20%	0.196	C	C	.	.			trans	-102.9	11.5	-168.5	68.1	22.7	0	0	0	115.8	Y378 W945 P987	Y378-N989 PolarHBondContact OH-O 2.84Å; W945-N989 HydrophobicContact CD2-CB 4.36Å; W945-N989 HydrophobicContact CE3-CB 4.45Å; W945-N989 HydrophobicContact CH2-CB 4Å; W945-N989 HydrophobicContact CZ2-CB 3.87Å; W945-N989 WeakPolarHBondContact CZ2-ND2 3.39Å; W945-N989 HydrophobicContact CZ3-CB 4.28Å; W945-N989 VanDerWaalsContact O-CB 3.27Å; W945-N989 WeakPolarHBondContact O-CB 3.31Å; P987-N989 VanDerWaalsContact C-N 3.25Å; P987-N989 PolarHBondContact O-N 2.88Å
990	K	92.9	Very high	95.9	Very high	25 Å²	25	40.2 Å²	40.2	11%	0.109	20%	0.197	C	C	.	.	S	Bend	trans	-110.4	140.1	178.8	-56.9	-62.9	-177.6	175.4	0	111.2	Y378 D379 I382 L384 G949	Y378-K990 VanDerWaalsContact CD2-NZ 3.28Å; Y378-K990 HydrophobicContact CE2-CD 3.77Å; D379-K990 PolarHBondContact O-NZ 2.94Å; I382-K990 WeakPolarHBondContact O-CD 3.4Å; L384-K990 HydrophobicContact CB-CB 3.84Å; L384-K990 HydrophobicContact CB-CG 3.74Å; G949-K990 WeakPolarHBondContact CA-O 3.41Å
991	P	89.7	Confident	96	Very high	40 Å²	40	38.7 Å²	38.7	26%	0.26	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	146.3	173	29.5	-35.5	0	0	0	110.6	T348 L380 A993	T348-P991 HydrophobicContact CG2-CB 4.42Å; T348-P991 HydrophobicContact CG2-CG 4.41Å; L380-P991 VanDerWaalsContact CD1-CD 3.45Å; L380-P991 HydrophobicContact CD1-CG 3.83Å; L380-P991 HydrophobicContact CG-CG 4.4Å; P991-A993 PolarHBondContact O-N 3.32Å
992	K	90.3	Very high	95.9	Very high	136 Å²	136	39.6 Å²	39.6	59%	0.591	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	38.1	-179	-54.3	163.6	-172.6	158.5	0	112	E347 E994	E347-K992 IonicContact OE1-NZ 3.63Å; E347-K992 PolarHBondContact OE1-NZ 3.01Å; K992-E994 PolarHBondContact O-N 2.82Å
993	A	94.8	Very high	95.8	Very high	5 Å²	5	39.6 Å²	39.6	4%	0.041	20%	0.199	C	C	.	.			trans	-58	136	176.4	0	0	0	0	0	111	L384 F984 T988 P991 F995	L384-A993 HydrophobicContact CB-CB 4.11Å; L384-A993 HydrophobicContact CD2-CB 4.2Å; F984-A993 HydrophobicContact CD1-CB 4.05Å; F984-A993 HydrophobicContact CE1-CB 4.21Å; T988-A993 HydrophobicContact CG2-CB 3.8Å; P991-A993 PolarHBondContact O-N 3.32Å; A993-F995 WeakPolarHBondContact O-CD1 3.19Å
994	E	96.7	Very high	95.6	Very high	74 Å²	74	41.1 Å²	41.1	35%	0.346	21%	0.206	S	C	.	.			trans	-75.9	143	176	-64.9	176	174	0	0	110.4	L384 K385 A386 K992	L384-E994 WeakPolarHBondContact O-CB 3.43Å; L384-E994 PolarHBondContact O-N 3.34Å; K385-E994 WeakPolarHBondContact CA-OE2 3.22Å; A386-E994 WeakPolarHBondContact CA-O 3.46Å; A386-E994 HydrophobicContact CB-CB 4.07Å; K992-E994 PolarHBondContact O-N 2.82Å
995	F	97.3	Very high	95.6	Very high	90 Å²	90	41.1 Å²	41.1	40%	0.395	21%	0.206	S	C	.	.			trans	-139.7	160	-178.1	51.9	-94.9	0	0	0	111.3	K982 L983 F984 A993 A997	K982-F995 HydrophobicContact CB-CB 4.37Å; K982-F995 HydrophobicContact CB-CD2 4.16Å; K982-F995 HydrophobicContact CB-CG 4.37Å; K982-F995 HydrophobicContact CD-CD1 4.45Å; K982-F995 HydrophobicContact CD-CD2 3.85Å; K982-F995 HydrophobicContact CD-CE1 4.41Å; K982-F995 HydrophobicContact CD-CE2 3.82Å; K982-F995 HydrophobicContact CD-CG 4.19Å; K982-F995 HydrophobicContact CD-CZ 4.11Å; K982-F995 HydrophobicContact CG-CD2 3.81Å; K982-F995 HydrophobicContact CG-CE2 4.07Å; K982-F995 HydrophobicContact CG-CG 4.37Å; L983-F995 VanDerWaalsContact O-CA 3.31Å; L983-F995 WeakPolarHBondContact O-CA 3.39Å; L983-F995 WeakPolarHBondContact O-CB 3.27Å; F984-F995 HydrophobicContact CD1-CB 3.74Å; F984-F995 HydrophobicContact CD1-CD1 4.36Å; F984-F995 HydrophobicContact CD2-CB 4.23Å; F984-F995 HydrophobicContact CE1-CB 3.69Å; F984-F995 AromaticContact CE1-CD1 3.52Å; F984-F995 HydrophobicContact CE1-CD1 3.52Å; F984-F995 AromaticContact CE1-CG 3.98Å; F984-F995 HydrophobicContact CE1-CG 3.98Å; F984-F995 HydrophobicContact CE2-CB 4.15Å; F984-F995 HydrophobicContact CG-CB 4.03Å; F984-F995 HydrophobicContact CZ-CB 3.89Å; F984-F995 AromaticContact CZ-CD1 3.69Å; F984-F995 HydrophobicContact CZ-CD1 3.69Å; F984-F995 AromaticContact CZ-CG 3.98Å; F984-F995 HydrophobicContact CZ-CG 3.98Å; A993-F995 WeakPolarHBondContact O-CD1 3.19Å; F995-A997 HydrophobicContact CD2-CB 3.99Å; F995-A997 HydrophobicContact CE2-CB 3.95Å
996	R	97.6	Very high	95.7	Very high	91 Å²	91	38.3 Å²	38.3	34%	0.343	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	141.3	159.1	-57.9	-174.7	-179	-91.7	12.4	108.3	A386 P387 D388 T389 K982 L983 Y998	A386-R996 HydrophobicContact CB-CG 4.44Å; P387-R996 HydrophobicContact CG-CG 4.43Å; P387-R996 PolarHBondContact O-NE 2.67Å; P387-R996 PolarHBondContact O-NH2 3.43Å; D388-R996 PolarHBondContact O-NH2 3.24Å; T389-R996 WeakPolarHBondContact O-CD 3.37Å; T389-R996 PolarHBondContact O-NE 3.4Å; K982-R996 CarbonylContact C-O 3.56Å; K982-R996 VanDerWaalsContact CA-O 3.23Å; K982-R996 WeakPolarHBondContact CA-O 3.42Å; L983-R996 HydrophobicContact CB-CB 4.48Å; L983-R996 PolarHBondContact N-O 2.92Å; L983-R996 PolarHBondContact O-N 2.86Å; R996-Y998 HydrophobicContact CB-CE2 3.7Å; R996-Y998 WeakPolarHBondContact CB-OH 3.33Å; R996-Y998 VanDerWaalsContact CD-OH 3.25Å; R996-Y998 WeakPolarHBondContact CD-OH 3.21Å
997	A	96.1	Very high	95.8	Very high	57 Å²	57	37.9 Å²	37.9	47%	0.471	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	143.5	178.6	0	0	0	0	0	110.9	V981 K982 F995	V981-A997 WeakPolarHBondContact O-CA 3.22Å; K982-A997 HydrophobicContact CG-CB 4.25Å; F995-A997 HydrophobicContact CD2-CB 3.99Å; F995-A997 HydrophobicContact CE2-CB 3.95Å
998	Y	97.9	Very high	95.9	Very high	36 Å²	36	35.7 Å²	35.7	14%	0.141	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	134.1	-171.6	-60.7	-81.4	0	0	0	110.7	T390 L391 V981 L983 R996 W1030	T390-Y998 WeakPolarHBondContact CA-OH 3.32Å; L391-Y998 HydrophobicContact CB-CD1 4.24Å; L391-Y998 HydrophobicContact CB-CD2 4.13Å; L391-Y998 HydrophobicContact CB-CE1 3.92Å; L391-Y998 HydrophobicContact CB-CE2 3.78Å; L391-Y998 HydrophobicContact CB-CG 4.35Å; L391-Y998 HydrophobicContact CD1-CD2 3.86Å; L391-Y998 HydrophobicContact CD1-CE2 3.93Å; L391-Y998 HydrophobicContact CG-CD2 4.26Å; L391-Y998 HydrophobicContact CG-CE2 3.86Å; L391-Y998 PolarHBondContact N-OH 2.78Å; L391-Y998 WeakPolarHBondContact O-CE1 3.41Å; V981-Y998 PolarHBondContact N-O 3.3Å; V981-Y998 PolarHBondContact O-N 2.94Å; L983-Y998 HydrophobicContact CB-CE2 4.17Å; R996-Y998 HydrophobicContact CB-CE2 3.7Å; R996-Y998 WeakPolarHBondContact CB-OH 3.33Å; R996-Y998 VanDerWaalsContact CD-OH 3.25Å; R996-Y998 WeakPolarHBondContact CD-OH 3.21Å; Y998-W1030 HydrophobicContact CD1-CZ3 4.37Å; Y998-W1030 HydrophobicContact CG-CZ3 4.27Å
999	N	95.3	Very high	96	Very high	60 Å²	60	36.4 Å²	36.4	32%	0.321	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	147.6	176.5	-73.7	-25.3	0	0	0	110.7	K980	K980-N999 WeakPolarHBondContact CE-OD1 3.46Å; K980-N999 PolarHBondContact NZ-OD1 2.62Å
1000	G	96.7	Very high	96.2	Very high	2 Å²	2	35.7 Å²	35.7	2%	0.021	18%	0.181	C	C	.	.			trans	167.8	-42	163.1	0	0	0	0	0	112	A421 A422 V423	A421-G1000 VanDerWaalsContact CB-O 3.22Å; A421-G1000 WeakPolarHBondContact CB-O 3.29Å; A422-G1000 WeakPolarHBondContact CB-O 3.42Å; A422-G1000 PolarHBondContact N-O 2.92Å; V423-G1000 VanDerWaalsContact CG2-CA 3.44Å; V423-G1000 WeakPolarHBondContact CG2-O 3.41Å
1001	H	98.3	Very high	96.5	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.009	18%	0.176	C	C	.	.			trans	-68.4	141.1	167.4	-68.2	-60.1	0	0	0	111.1	V1005 S1019 G1021 D1024 A1026	H1001-V1005 HydrophobicContact CB-CG2 3.92Å; H1001-S1019 PolarHBondContact NE2-OG 2.66Å; H1001-G1021 PolarHBondContact CE1-N 2.89Å; H1001-G1021 VanDerWaalsContact ND1-CA 3.26Å; H1001-G1021 WeakPolarHBondContact ND1-CA 3.19Å; H1001-G1021 PolarHBondContact ND1-N 2.71Å; H1001-D1024 WeakPolarHBondContact CA-OD2 3.25Å; H1001-D1024 VanDerWaalsContact CB-OD2 3.25Å; H1001-D1024 WeakPolarHBondContact CB-OD2 3.32Å; H1001-D1024 IonicContact CG-OD2 3.29Å; H1001-D1024 IonicContact ND1-OD1 3.33Å; H1001-D1024 IonicContact ND1-OD2 3.83Å; H1001-D1024 PolarHBondContact ND1-OD2 3.11Å; H1001-A1026 PolarHBondContact CE1-O 2.92Å
1002	S	96.4	Very high	96.7	Very high	18 Å²	18	36.8 Å²	36.8	13%	0.126	18%	0.18	C	C	.	.	S	Bend	trans	-105.3	-20.1	174.2	54.3	0	0	0	0	112.5	A421 D443 D1024	A421-S1002 WeakPolarHBondContact CA-OG 3.49Å; D443-S1002 VanDerWaalsContact OD1-CB 3.25Å; D443-S1002 WeakPolarHBondContact OD1-CB 3.35Å; D443-S1002 PolarHBondContact OD1-OG 3.39Å; S1002-D1024 PolarHBondContact N-OD2 2.85Å; S1002-D1024 VanDerWaalsContact N-OD2 3.09Å; S1002-D1024 VanDerWaalsContact OG-CB 3.29Å; S1002-D1024 WeakPolarHBondContact OG-CB 3.3Å
1003	S	94.9	Very high	96.9	Very high	19 Å²	19	32.7 Å²	32.7	13%	0.133	16%	0.164	C	C	.	.	S	Bend	trans	-107.5	-179.2	173.6	177.1	0	0	0	0	110.1	G979 V1005 G1021	G979-S1003 WeakPolarHBondContact CA-O 3.17Å; S1003-V1005 PolarHBondContact O-N 3Å; S1003-G1021 WeakPolarHBondContact CB-O 3.47Å
1004	H	95.7	Very high	97	Very high	32 Å²	32	32.6 Å²	32.6	15%	0.148	16%	0.164	C	C	.	.			trans	-53.1	128.1	174.5	-43.6	-33.1	0	0	0	110.8	D977 T1006 G1021	D977-H1004 VanDerWaalsContact CG-ND1 3.28Å; D977-H1004 PolarHBondContact O-ND1 3.31Å; D977-H1004 WeakPolarHBondContact OD1-CB 3.48Å; D977-H1004 IonicContact OD1-CD2 2.7Å; D977-H1004 PolarHBondContact OD1-CD2 2.97Å; D977-H1004 IonicContact OD1-CE1 2.57Å; D977-H1004 IonicContact OD1-CG 3.61Å; D977-H1004 IonicContact OD1-ND1 3.59Å; D977-H1004 PolarHBondContact OD1-ND1 2.83Å; D977-H1004 IonicContact OD2-CE1 3.36Å; D977-H1004 PolarHBondContact OD2-CE1 2.96Å; D977-H1004 VanDerWaalsContact OD2-CE1 3.24Å; D977-H1004 IonicContact OD2-CG 3.47Å; D977-H1004 IonicContact OD2-ND1 3.26Å; D977-H1004 PolarHBondContact OD2-ND1 2.54Å; D977-H1004 IonicContact OD2-NE2 3.42Å; H1004-T1006 PolarHBondContact O-N 3.39Å; H1004-T1006 VanDerWaalsContact O-N 3.08Å; H1004-G1021 CarbonylContact O-C 3.55Å; H1004-G1021 VanDerWaalsContact O-C 3.26Å
1005	V	98.3	Very high	97	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.			trans	-73.8	101.8	171.7	-171.5	0	0	0	0	107.2	N961 D976 V981 H1001 S1003 V1008 T1020	N961-V1005 WeakPolarHBondContact CB-O 3.4Å; D976-V1005 PolarHBondContact O-N 3.18Å; V981-V1005 HydrophobicContact CG2-CG1 4.24Å; H1001-V1005 HydrophobicContact CB-CG2 3.92Å; S1003-V1005 PolarHBondContact O-N 3Å; V1005-V1008 HydrophobicContact CG1-CG1 3.93Å; V1005-T1020 CarbonylContact C-O 3.58Å; V1005-T1020 WeakPolarHBondContact CA-O 3.37Å
1006	T	98.2	Very high	97	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.031	15%	0.145	C	C	.	.			trans	-73.1	-30	-170.9	52.6	0	0	0	0	113	F719 W720 H1004 T1020	F719-T1006 PolarHBondContact O-OG1 3.08Å; W720-T1006 HydrophobicContact CD2-CG2 3.55Å; W720-T1006 VanDerWaalsContact CE2-CG2 3.44Å; W720-T1006 HydrophobicContact CE3-CG2 3.85Å; W720-T1006 HydrophobicContact CG-CG2 4.08Å; W720-T1006 HydrophobicContact CH2-CG2 3.95Å; W720-T1006 HydrophobicContact CZ2-CG2 3.67Å; W720-T1006 HydrophobicContact CZ3-CG2 4.04Å; H1004-T1006 PolarHBondContact O-N 3.39Å; H1004-T1006 VanDerWaalsContact O-N 3.08Å; T1006-T1020 PolarHBondContact N-O 3.17Å; T1006-T1020 PolarHBondContact OG1-O 2.81Å; T1006-T1020 PolarHBondContact OG1-OG1 2.84Å
1007	N	98.5	Very high	97.1	Very high	41 Å²	41	23.5 Å²	23.5	22%	0.219	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	155.2	-178.5	-146.5	-31	0	0	0	111.9	W720 L722 S1019 T1020	W720-N1007 PolarHBondContact O-ND2 2.75Å; L722-N1007 HydrophobicContact CB-CB 3.94Å; L722-N1007 HydrophobicContact CD2-CB 3.99Å; N1007-S1019 WeakPolarHBondContact O-CA 3.45Å; N1007-T1020 VanDerWaalsContact CB-OG1 3.28Å; N1007-T1020 WeakPolarHBondContact CB-OG1 3.16Å; N1007-T1020 PolarHBondContact N-OG1 3.07Å; N1007-T1020 PolarHBondContact O-N 2.69Å
1008	V	98.6	Very high	97.2	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.012	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	139.1	173.6	-66	0	0	0	0	110.1	A962 V1005 I1018	A962-V1008 HydrophobicContact CB-CG2 4.15Å; V1005-V1008 HydrophobicContact CG1-CG1 3.93Å; V1008-I1018 CarbonylContact C-O 3.55Å; V1008-I1018 WeakPolarHBondContact CA-O 3.34Å
1009	T	98.5	Very high	97.2	Very high	14 Å²	14	19 Å²	19	9%	0.086	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	140.3	170.4	-160.8	0	0	0	0	113.7	L722 K724 D964 L1017 I1018	L722-T1009 HydrophobicContact CD1-CG2 4.46Å; L722-T1009 HydrophobicContact CD2-CG2 3.8Å; L722-T1009 HydrophobicContact CG-CG2 3.93Å; K724-T1009 HydrophobicContact CB-CG2 4.12Å; K724-T1009 HydrophobicContact CD-CG2 4.4Å; K724-T1009 WeakPolarHBondContact CD-OG1 3.22Å; K724-T1009 WeakPolarHBondContact CE-OG1 3.28Å; K724-T1009 PolarHBondContact NZ-OG1 3.03Å; D964-T1009 WeakPolarHBondContact OD2-CA 3.29Å; D964-T1009 WeakPolarHBondContact OD2-CB 3.26Å; D964-T1009 PolarHBondContact OD2-OG1 2.76Å; T1009-L1017 WeakPolarHBondContact O-CA 3.13Å; T1009-I1018 PolarHBondContact N-O 3.18Å; T1009-I1018 PolarHBondContact O-N 3.25Å
1010	F	98.4	Very high	97.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	130.5	170.8	-72.5	-83.4	0	0	0	109.9	K724 D964 I971 A973 L983 R1016 L1017 V1032	K724-F1010 WeakPolarHBondContact CD-O 3.3Å; K724-F1010 WeakPolarHBondContact CE-O 3.43Å; K724-F1010 PolarHBondContact NZ-O 3.07Å; D964-F1010 HydrophobicContact CB-CD2 4.33Å; D964-F1010 WeakPolarHBondContact O-CE2 3.46Å; D964-F1010 PolarHBondContact OD2-N 3.01Å; I971-F1010 HydrophobicContact CD1-CE1 3.93Å; I971-F1010 HydrophobicContact CD1-CZ 3.94Å; I971-F1010 HydrophobicContact CG1-CE1 4.34Å; I971-F1010 HydrophobicContact CG1-CZ 3.91Å; A973-F1010 HydrophobicContact CB-CD2 4.46Å; A973-F1010 HydrophobicContact CB-CE2 3.58Å; A973-F1010 HydrophobicContact CB-CZ 3.78Å; L983-F1010 HydrophobicContact CD1-CZ 3.88Å; F1010-R1016 CarbonylContact C-O 3.54Å; F1010-R1016 WeakPolarHBondContact CA-O 3.42Å; F1010-L1017 HydrophobicContact CB-CD1 4.48Å; F1010-L1017 HydrophobicContact CD1-CB 4.18Å; F1010-L1017 HydrophobicContact CD1-CD1 3.8Å; F1010-L1017 HydrophobicContact CD2-CD1 3.74Å; F1010-L1017 HydrophobicContact CE1-CB 4.26Å; F1010-L1017 HydrophobicContact CE1-CD1 3.91Å; F1010-L1017 HydrophobicContact CE2-CD1 3.86Å; F1010-L1017 HydrophobicContact CG-CD1 3.73Å; F1010-L1017 HydrophobicContact CZ-CD1 3.93Å; F1010-V1032 HydrophobicContact CD1-CG2 4.19Å; F1010-V1032 HydrophobicContact CE1-CG2 3.95Å
1011	L	97.8	Very high	97.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.084	C	C	.	.			trans	-58.2	164.8	173.8	-60.2	-172.5	0	0	0	111.9	K724 H729 F731 S745 D1013 G1014 R1016 I1018	K724-L1011 HydrophobicContact CB-CD2 4.41Å; H729-L1011 HydrophobicContact CB-CD1 4.45Å; F731-L1011 HydrophobicContact CB-CD2 4.28Å; F731-L1011 HydrophobicContact CD1-CD2 4.27Å; S745-L1011 WeakPolarHBondContact OG-CD1 3.21Å; L1011-D1013 PolarHBondContact O-N 2.84Å; L1011-G1014 PolarHBondContact O-N 2.91Å; L1011-R1016 HydrophobicContact CD1-CB 3.89Å; L1011-R1016 HydrophobicContact CG-CB 4.19Å; L1011-R1016 PolarHBondContact N-O 2.8Å; L1011-I1018 HydrophobicContact CD2-CD1 4.47Å; L1011-I1018 HydrophobicContact CD2-CG1 3.8Å; L1011-I1018 HydrophobicContact CG-CG1 4.29Å
1012	Y	93.9	Very high	97.4	Very high	89 Å²	89	16 Å²	16	35%	0.349	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-26.7	-168.2	80.8	-71.7	0	0	0	115.7	A728 H729 P967	A728-Y1012 VanDerWaalsContact CA-CE1 3.44Å; A728-Y1012 WeakPolarHBondContact O-CD1 3.09Å; H729-Y1012 AromaticContact CD2-CE1 3.89Å; H729-Y1012 AromaticContact CE1-CE1 3.58Å; H729-Y1012 AromaticContact CE1-CZ 3.81Å; H729-Y1012 PolarHBondContact CE1-OH 2.75Å; H729-Y1012 AromaticContact CG-CE1 3.92Å; H729-Y1012 AromaticContact ND1-CE1 3.73Å; H729-Y1012 AromaticContact NE2-CE1 3.67Å; P967-Y1012 WeakPolarHBondContact CG-O 3.41Å
1013	D	94.9	Very high	97.4	Very high	49 Å²	49	19.2 Å²	19.2	26%	0.262	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-6.2	177.8	68.6	-10.9	0	0	0	114.1	H729 T968 L1011 S1015	H729-D1013 IonicContact CD2-OD2 3.98Å; H729-D1013 IonicContact CE1-OD2 2.75Å; H729-D1013 IonicContact NE2-OD1 3.43Å; H729-D1013 IonicContact NE2-OD2 2.81Å; H729-D1013 PolarHBondContact NE2-OD2 3.37Å; T968-D1013 WeakPolarHBondContact CG2-O 2.86Å; T968-D1013 PolarHBondContact OG1-O 3.21Å; L1011-D1013 PolarHBondContact O-N 2.84Å; D1013-S1015 PolarHBondContact O-N 3.25Å; D1013-S1015 VanDerWaalsContact OD1-CB 3.28Å; D1013-S1015 WeakPolarHBondContact OD1-CB 3.47Å; D1013-S1015 PolarHBondContact OD1-N 3.2Å; D1013-S1015 PolarHBondContact OD1-OG 3.1Å; D1013-S1015 VanDerWaalsContact OD2-CB 3.29Å; D1013-S1015 WeakPolarHBondContact OD2-CB 3.4Å; D1013-S1015 PolarHBondContact OD2-OG 3.44Å
1014	G	96.1	Very high	97.5	Very high	4 Å²	4	18.4 Å²	18.4	4%	0.041	9%	0.09	C	C	.	.	S	Bend	trans	72.9	6.4	-174.9	0	0	0	0	0	115.1	L1011 R1016 V1032	L1011-G1014 PolarHBondContact O-N 2.91Å; G1014-R1016 VanDerWaalsContact C-N 3.28Å; G1014-R1016 PolarHBondContact O-N 2.81Å; G1014-V1032 WeakPolarHBondContact O-CG2 3.43Å
1015	S	96.9	Very high	97.6	Very high	32 Å²	32	17.5 Å²	17.5	22%	0.224	9%	0.086	C	C	.	.	S	Bend	trans	-69.7	-24.6	-178.1	66.8	0	0	0	0	113.8	D1013 V1032	D1013-S1015 PolarHBondContact O-N 3.25Å; D1013-S1015 VanDerWaalsContact OD1-CB 3.28Å; D1013-S1015 WeakPolarHBondContact OD1-CB 3.47Å; D1013-S1015 PolarHBondContact OD1-N 3.2Å; D1013-S1015 PolarHBondContact OD1-OG 3.1Å; D1013-S1015 VanDerWaalsContact OD2-CB 3.29Å; D1013-S1015 WeakPolarHBondContact OD2-CB 3.4Å; D1013-S1015 PolarHBondContact OD2-OG 3.44Å; S1015-V1032 PolarHBondContact O-N 3.27Å
1016	R	98.1	Very high	97.6	Very high	31 Å²	31	17.5 Å²	17.5	12%	0.117	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	146.4	-177.2	-87.7	136.2	-178.6	73.8	6.4	111.6	E394 F1010 L1011 G1014 Q1029 W1030 E1031	E394-R1016 IonicContact OE1-CZ 3.86Å; E394-R1016 IonicContact OE1-NE 2.71Å; E394-R1016 PolarHBondContact OE1-NE 3.36Å; E394-R1016 IonicContact OE1-NH2 2.81Å; E394-R1016 PolarHBondContact OE1-NH2 3.12Å; E394-R1016 IonicContact OE2-CZ 2.72Å; E394-R1016 IonicContact OE2-NE 3.27Å; E394-R1016 PolarHBondContact OE2-NE 3.38Å; E394-R1016 IonicContact OE2-NH2 3.24Å; E394-R1016 PolarHBondContact OE2-NH2 3.15Å; F1010-R1016 CarbonylContact C-O 3.54Å; F1010-R1016 WeakPolarHBondContact CA-O 3.42Å; L1011-R1016 HydrophobicContact CD1-CB 3.89Å; L1011-R1016 HydrophobicContact CG-CB 4.19Å; L1011-R1016 PolarHBondContact N-O 2.8Å; G1014-R1016 VanDerWaalsContact C-N 3.28Å; G1014-R1016 PolarHBondContact O-N 2.81Å; R1016-Q1029 HydrophobicContact CG-CG 4.33Å; R1016-W1030 CarbonylContact C-O 3.6Å; R1016-W1030 WeakPolarHBondContact CA-O 3.29Å; R1016-W1030 WeakPolarHBondContact CG-O 3.11Å; R1016-E1031 IonicContact CZ-OE1 2.86Å; R1016-E1031 IonicContact NH1-OE1 2.94Å; R1016-E1031 IonicContact NH2-OE1 2.65Å; R1016-E1031 PolarHBondContact NH2-OE1 2.88Å
1017	L	98.7	Very high	97.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	140.8	166.8	-174.2	80.6	0	0	0	108.6	L391 A973 V981 T1009 F1010 W1030	L391-L1017 HydrophobicContact CD1-CD2 3.61Å; L391-L1017 HydrophobicContact CD2-CB 4.39Å; A973-L1017 HydrophobicContact CB-CD1 3.54Å; A973-L1017 HydrophobicContact CB-CD2 3.75Å; A973-L1017 HydrophobicContact CB-CG 4.33Å; V981-L1017 HydrophobicContact CG1-CD2 3.63Å; T1009-L1017 WeakPolarHBondContact O-CA 3.13Å; F1010-L1017 HydrophobicContact CB-CD1 4.48Å; F1010-L1017 HydrophobicContact CD1-CB 4.18Å; F1010-L1017 HydrophobicContact CD1-CD1 3.8Å; F1010-L1017 HydrophobicContact CD2-CD1 3.74Å; F1010-L1017 HydrophobicContact CE1-CB 4.26Å; F1010-L1017 HydrophobicContact CE1-CD1 3.91Å; F1010-L1017 HydrophobicContact CE2-CD1 3.86Å; F1010-L1017 HydrophobicContact CG-CD1 3.73Å; F1010-L1017 HydrophobicContact CZ-CD1 3.93Å; L1017-W1030 HydrophobicContact CB-CB 4.25Å; L1017-W1030 PolarHBondContact N-O 3.19Å; L1017-W1030 PolarHBondContact O-N 2.9Å
1018	I	98.8	Very high	97.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.8	169.4	-51.3	-60	0	0	0	108.5	L722 F731 V1008 T1009 L1011 V1027 L1028 Q1029	L722-I1018 HydrophobicContact CD1-CB 4.36Å; L722-I1018 HydrophobicContact CD1-CG2 3.76Å; L722-I1018 HydrophobicContact CD2-CB 4.48Å; L722-I1018 HydrophobicContact CD2-CG2 4.34Å; F731-I1018 HydrophobicContact CD1-CD1 3.84Å; F731-I1018 HydrophobicContact CD1-CG1 3.82Å; F731-I1018 HydrophobicContact CD2-CG2 4.07Å; F731-I1018 HydrophobicContact CE1-CD1 3.56Å; F731-I1018 HydrophobicContact CE1-CG1 4.02Å; F731-I1018 HydrophobicContact CE2-CG2 3.94Å; F731-I1018 HydrophobicContact CG-CG1 4.1Å; F731-I1018 HydrophobicContact CG-CG2 4.44Å; F731-I1018 HydrophobicContact CZ-CD1 4.07Å; F731-I1018 HydrophobicContact CZ-CG1 4.47Å; F731-I1018 HydrophobicContact CZ-CG2 4.2Å; V1008-I1018 CarbonylContact C-O 3.55Å; V1008-I1018 WeakPolarHBondContact CA-O 3.34Å; T1009-I1018 PolarHBondContact N-O 3.18Å; T1009-I1018 PolarHBondContact O-N 3.25Å; L1011-I1018 HydrophobicContact CD2-CD1 4.47Å; L1011-I1018 HydrophobicContact CD2-CG1 3.8Å; L1011-I1018 HydrophobicContact CG-CG1 4.29Å; I1018-V1027 HydrophobicContact CG2-CG1 3.49Å; I1018-V1027 VanDerWaalsContact CG2-CG1 3.49Å; I1018-L1028 WeakPolarHBondContact CA-O 3.35Å; I1018-Q1029 HydrophobicContact CD1-CB 3.86Å; I1018-Q1029 HydrophobicContact CD1-CG 3.78Å
1019	S	98.8	Very high	97.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	148	172.4	65.2	0	0	0	0	112.5	H1001 N1007 V1027 L1028 W1030	H1001-S1019 PolarHBondContact NE2-OG 2.66Å; N1007-S1019 WeakPolarHBondContact O-CA 3.45Å; S1019-V1027 WeakPolarHBondContact O-CA 3.34Å; S1019-L1028 PolarHBondContact N-O 3.4Å; S1019-L1028 PolarHBondContact O-N 3.12Å; S1019-W1030 PolarHBondContact OG-NE1 3.44Å
1020	T	98.7	Very high	97.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.9	-178.5	56.9	0	0	0	0	110.9	F719 L722 T733 V1005 T1006 N1007 V1027	F719-T1020 HydrophobicContact CD2-CG2 4.32Å; F719-T1020 HydrophobicContact CE2-CG2 3.4Å; F719-T1020 HydrophobicContact CZ-CG2 3.86Å; L722-T1020 HydrophobicContact CB-CG2 4.21Å; L722-T1020 HydrophobicContact CD1-CG2 4.19Å; L722-T1020 HydrophobicContact CD2-CG2 4.15Å; L722-T1020 HydrophobicContact CG-CG2 4.41Å; T733-T1020 HydrophobicContact CG2-CG2 4.4Å; V1005-T1020 CarbonylContact C-O 3.58Å; V1005-T1020 WeakPolarHBondContact CA-O 3.37Å; T1006-T1020 PolarHBondContact N-O 3.17Å; T1006-T1020 PolarHBondContact OG1-O 2.81Å; T1006-T1020 PolarHBondContact OG1-OG1 2.84Å; N1007-T1020 VanDerWaalsContact CB-OG1 3.28Å; N1007-T1020 WeakPolarHBondContact CB-OG1 3.16Å; N1007-T1020 PolarHBondContact N-OG1 3.07Å; N1007-T1020 PolarHBondContact O-N 2.69Å; T1020-V1027 HydrophobicContact CG2-CG1 4.4Å; T1020-V1027 HydrophobicContact CG2-CG2 4.41Å
1021	G	97.6	Very high	97.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.082	C	C	.	.			trans	-105	13.7	-173.7	0	0	0	0	0	116	H1001 S1003 H1004 K1023 D1024 A1026	H1001-G1021 PolarHBondContact CE1-N 2.89Å; H1001-G1021 VanDerWaalsContact ND1-CA 3.26Å; H1001-G1021 WeakPolarHBondContact ND1-CA 3.19Å; H1001-G1021 PolarHBondContact ND1-N 2.71Å; S1003-G1021 WeakPolarHBondContact CB-O 3.47Å; H1004-G1021 CarbonylContact O-C 3.55Å; H1004-G1021 VanDerWaalsContact O-C 3.26Å; G1021-K1023 PolarHBondContact O-N 3.14Å; G1021-D1024 VanDerWaalsContact CA-OD1 3.23Å; G1021-D1024 WeakPolarHBondContact CA-OD1 3.19Å; G1021-D1024 PolarHBondContact O-N 2.89Å; G1021-A1026 PolarHBondContact N-O 2.76Å; G1021-A1026 VanDerWaalsContact N-O 3.16Å
1022	G	97.2	Very high	97.6	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.01	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	57.1	-106.4	177.4	0	0	0	0	0	113.3	F719 D1024 T1025	F719-G1022 WeakPolarHBondContact CD1-O 3.5Å; F719-G1022 VanDerWaalsContact O-CA 3.29Å; F719-G1022 WeakPolarHBondContact O-CA 3.24Å; G1022-D1024 PolarHBondContact O-N 3.09Å; G1022-T1025 PolarHBondContact O-N 3Å
1023	K	97	Very high	97.7	Very high	84 Å²	84	15.9 Å²	15.9	37%	0.365	8%	0.084	S	C	.	.	G	3₁₀ helix	trans	-68.4	-19.1	-176.4	-59.7	174	179.6	164.3	0	113.9	S31 E718 G1021 T1025	S31-K1023 PolarHBondContact OG-NZ 2.81Å; S31-K1023 VanDerWaalsContact OG-NZ 3.11Å; E718-K1023 HydrophobicContact CB-CG 4Å; E718-K1023 HydrophobicContact CG-CG 3.68Å; E718-K1023 WeakPolarHBondContact OE2-CE 3.06Å; E718-K1023 WeakPolarHBondContact OE2-CG 3.49Å; G1021-K1023 PolarHBondContact O-N 3.14Å; K1023-T1025 PolarHBondContact O-N 2.65Å
1024	D	96.9	Very high	97.1	Very high	3 Å²	3	22 Å²	22	2%	0.016	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-77.1	-8.1	174.7	76.7	17.6	0	0	0	113.4	A421 H1001 S1002 G1021 G1022 A1026	A421-D1024 HydrophobicContact CB-CB 3.69Å; A421-D1024 WeakPolarHBondContact CB-OD2 3.33Å; H1001-D1024 WeakPolarHBondContact CA-OD2 3.25Å; H1001-D1024 VanDerWaalsContact CB-OD2 3.25Å; H1001-D1024 WeakPolarHBondContact CB-OD2 3.32Å; H1001-D1024 IonicContact CG-OD2 3.29Å; H1001-D1024 IonicContact ND1-OD1 3.33Å; H1001-D1024 IonicContact ND1-OD2 3.83Å; H1001-D1024 PolarHBondContact ND1-OD2 3.11Å; S1002-D1024 PolarHBondContact N-OD2 2.85Å; S1002-D1024 VanDerWaalsContact N-OD2 3.09Å; S1002-D1024 VanDerWaalsContact OG-CB 3.29Å; S1002-D1024 WeakPolarHBondContact OG-CB 3.3Å; G1021-D1024 VanDerWaalsContact CA-OD1 3.23Å; G1021-D1024 WeakPolarHBondContact CA-OD1 3.19Å; G1021-D1024 PolarHBondContact O-N 2.89Å; G1022-D1024 PolarHBondContact O-N 3.09Å; D1024-A1026 PolarHBondContact O-N 3.12Å; D1024-A1026 WeakPolarHBondContact OD1-CB 3.47Å; D1024-A1026 PolarHBondContact OD1-N 3.13Å
1025	T	97.9	Very high	97.2	Very high	13 Å²	13	22.9 Å²	22.9	8%	0.08	12%	0.119	C	C	.	.			trans	62.4	10.4	177.6	60.6	0	0	0	0	116.2	N697 H715 G1022 K1023	N697-T1025 WeakPolarHBondContact ND2-CB 3Å; N697-T1025 PolarHBondContact ND2-OG1 3.42Å; H715-T1025 WeakPolarHBondContact O-CB 3.07Å; G1022-T1025 PolarHBondContact O-N 3Å; K1023-T1025 PolarHBondContact O-N 2.65Å
1026	A	98	Very high	97.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.113	C	C	.	.			trans	-96.2	143.4	-178.4	0	0	0	0	0	113.3	I396 V420 A421 F719 H1001 G1021 D1024 L1028	I396-A1026 HydrophobicContact CG2-CB 4.47Å; V420-A1026 HydrophobicContact CG1-CB 4.14Å; V420-A1026 HydrophobicContact CG2-CB 4.07Å; A421-A1026 HydrophobicContact CB-CB 4.07Å; F719-A1026 WeakPolarHBondContact CZ-O 3.44Å; H1001-A1026 PolarHBondContact CE1-O 2.92Å; G1021-A1026 PolarHBondContact N-O 2.76Å; G1021-A1026 VanDerWaalsContact N-O 3.16Å; D1024-A1026 PolarHBondContact O-N 3.12Å; D1024-A1026 WeakPolarHBondContact OD1-CB 3.47Å; D1024-A1026 PolarHBondContact OD1-N 3.13Å; A1026-L1028 HydrophobicContact CB-CD1 3.56Å
1027	V	98.6	Very high	97.1	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.018	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.6	159.9	-171.4	0	0	0	0	108	I396 Y397 F719 F731 T733 I1018 S1019 T1020	I396-V1027 WeakPolarHBondContact CA-O 3.49Å; Y397-V1027 HydrophobicContact CD2-CB 4.15Å; Y397-V1027 HydrophobicContact CD2-CG1 4.31Å; Y397-V1027 PolarHBondContact N-O 2.91Å; Y397-V1027 PolarHBondContact O-N 2.92Å; F719-V1027 HydrophobicContact CE2-CG2 3.79Å; F719-V1027 HydrophobicContact CZ-CG2 3.62Å; F731-V1027 HydrophobicContact CE2-CG1 3.95Å; F731-V1027 HydrophobicContact CZ-CG1 4.29Å; T733-V1027 HydrophobicContact CG2-CG2 4.19Å; I1018-V1027 HydrophobicContact CG2-CG1 3.49Å; I1018-V1027 VanDerWaalsContact CG2-CG1 3.49Å; S1019-V1027 WeakPolarHBondContact O-CA 3.34Å; T1020-V1027 HydrophobicContact CG2-CG1 4.4Å; T1020-V1027 HydrophobicContact CG2-CG2 4.41Å
1028	L	98.7	Very high	97	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130	-179.6	-87.8	53.6	0	0	0	109.5	L393 I396 I1018 S1019 A1026 W1030	L393-L1028 HydrophobicContact CD1-CB 4.04Å; L393-L1028 HydrophobicContact CD1-CD2 4.38Å; L393-L1028 HydrophobicContact CD1-CG 3.95Å; I396-L1028 HydrophobicContact CB-CD1 4.46Å; I396-L1028 HydrophobicContact CD1-CD1 3.89Å; I396-L1028 HydrophobicContact CD1-CG 4.04Å; I396-L1028 HydrophobicContact CG1-CD1 3.88Å; I396-L1028 HydrophobicContact CG1-CG 3.93Å; I396-L1028 HydrophobicContact CG2-CD1 4.02Å; I1018-L1028 WeakPolarHBondContact CA-O 3.35Å; S1019-L1028 PolarHBondContact N-O 3.4Å; S1019-L1028 PolarHBondContact O-N 3.12Å; A1026-L1028 HydrophobicContact CB-CD1 3.56Å; L1028-W1030 HydrophobicContact CB-CZ2 3.95Å; L1028-W1030 HydrophobicContact CD2-CH2 4.02Å; L1028-W1030 HydrophobicContact CD2-CZ2 3.61Å; L1028-W1030 HydrophobicContact CG-CZ2 4.32Å
1029	Q	98.6	Very high	96.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.5	177.3	172.4	167.4	-50.9	0	0	110.2	E394 W395 Y397 S745 K748 R1016 I1018	E394-Q1029 PolarHBondContact N-O 3.45Å; E394-Q1029 PolarHBondContact OE2-NE2 2.96Å; W395-Q1029 HydrophobicContact CB-CB 4.22Å; W395-Q1029 PolarHBondContact N-O 2.83Å; W395-Q1029 PolarHBondContact O-N 2.96Å; Y397-Q1029 HydrophobicContact CE2-CB 4.19Å; Y397-Q1029 PolarHBondContact OH-OE1 3.31Å; S745-Q1029 PolarHBondContact O-NE2 2.96Å; S745-Q1029 PolarHBondContact OG-NE2 3.34Å; S745-Q1029 PolarHBondContact OG-OE1 3.18Å; K748-Q1029 VanDerWaalsContact CE-NE2 3.25Å; R1016-Q1029 HydrophobicContact CG-CG 4.33Å; I1018-Q1029 HydrophobicContact CD1-CB 3.86Å; I1018-Q1029 HydrophobicContact CD1-CG 3.78Å
1030	W	98.6	Very high	96.8	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.015	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.8	-175.5	-41.6	82	0	0	0	110.4	L391 K392 L393 V981 Y998 R1016 L1017 S1019 L1028	L391-W1030 HydrophobicContact CB-CB 4.12Å; L391-W1030 HydrophobicContact CB-CE3 4.36Å; L391-W1030 HydrophobicContact CD1-CB 4.33Å; L391-W1030 HydrophobicContact CD1-CG 4.3Å; L391-W1030 HydrophobicContact CD2-CB 4.35Å; K392-W1030 CarbonylContact O-C 3.52Å; K392-W1030 VanDerWaalsContact O-CA 3.28Å; K392-W1030 WeakPolarHBondContact O-CA 3.47Å; L393-W1030 HydrophobicContact CB-CE3 3.9Å; L393-W1030 HydrophobicContact CB-CZ3 3.9Å; L393-W1030 HydrophobicContact CD1-CD2 4.1Å; L393-W1030 HydrophobicContact CD1-CE3 3.94Å; L393-W1030 HydrophobicContact CD1-CH2 4.26Å; L393-W1030 HydrophobicContact CD1-CZ2 4.42Å; L393-W1030 HydrophobicContact CD1-CZ3 4.02Å; L393-W1030 HydrophobicContact CG-CZ3 4.48Å; V981-W1030 HydrophobicContact CB-CZ2 4.25Å; V981-W1030 HydrophobicContact CG2-CZ2 3.85Å; Y998-W1030 HydrophobicContact CD1-CZ3 4.37Å; Y998-W1030 HydrophobicContact CG-CZ3 4.27Å; R1016-W1030 CarbonylContact C-O 3.6Å; R1016-W1030 WeakPolarHBondContact CA-O 3.29Å; R1016-W1030 WeakPolarHBondContact CG-O 3.11Å; L1017-W1030 HydrophobicContact CB-CB 4.25Å; L1017-W1030 PolarHBondContact N-O 3.19Å; L1017-W1030 PolarHBondContact O-N 2.9Å; S1019-W1030 PolarHBondContact OG-NE1 3.44Å; L1028-W1030 HydrophobicContact CB-CZ2 3.95Å; L1028-W1030 HydrophobicContact CD2-CH2 4.02Å; L1028-W1030 HydrophobicContact CD2-CZ2 3.61Å; L1028-W1030 HydrophobicContact CG-CZ2 4.32Å
1031	E	97.7	Very high	96.7	Very high	47 Å²	47	28.2 Å²	28.2	22%	0.22	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	133.8	167.2	-179.7	164.2	-112.8	0	0	110	L391 K392 E394 R1016	L391-E1031 WeakPolarHBondContact CA-O 3.2Å; K392-E1031 HydrophobicContact CB-CB 4.48Å; K392-E1031 PolarHBondContact N-O 3.47Å; K392-E1031 IonicContact NZ-OE2 2.96Å; K392-E1031 PolarHBondContact NZ-OE2 2.81Å; K392-E1031 PolarHBondContact O-N 2.8Å; E394-E1031 HydrophobicContact CB-CB 4.38Å; R1016-E1031 IonicContact CZ-OE1 2.86Å; R1016-E1031 IonicContact NH1-OE1 2.94Å; R1016-E1031 IonicContact NH2-OE1 2.65Å; R1016-E1031 PolarHBondContact NH2-OE1 2.88Å
1032	V	97.7	Very high	96.6	Very high	24 Å²	24	30.4 Å²	30.4	15%	0.145	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	107.3	177.2	-178	0	0	0	0	108.8	T389 L391 I971 F1010 G1014 S1015	T389-V1032 HydrophobicContact CG2-CG1 3.67Å; L391-V1032 HydrophobicContact CD2-CG2 3.9Å; I971-V1032 HydrophobicContact CD1-CG1 3.97Å; F1010-V1032 HydrophobicContact CD1-CG2 4.19Å; F1010-V1032 HydrophobicContact CE1-CG2 3.95Å; G1014-V1032 WeakPolarHBondContact O-CG2 3.43Å; S1015-V1032 PolarHBondContact O-N 3.27Å
1033	C	95.5	Very high	96.5	Very high	38 Å²	38	32.8 Å²	32.8	26%	0.257	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	115.5	-177.1	-56.3	0	0	0	0	110.5	T389 T390	T389-C1033 WeakPolarHBondContact CA-O 3.42Å; T389-C1033 WeakPolarHBondContact CG2-O 3.44Å; T390-C1033 PolarHBondContact N-O 2.8Å; T390-C1033 PolarHBondContact O-N 3.49Å; T390-C1033 WeakPolarHBondContact OG1-CB 3.49Å; T390-C1033 PolarHBondContact OG1-O 2.57Å
1034	I	83.5	Confident	96.5	Very high	178 Å²	178	28.2 Å²	28.2	91%	0.913	15%	0.151	S	C	*	.			trans	-86.5	0	-179.9	-59	174.1	0	0	0	110.8	T389	T389-I1034 HydrophobicContact CG2-CG1 4.11Å

Retrieved 1,034 of 1,034 residues in 1179.9 ms (Link to these results)

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