X5J4U4_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4U4, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 111 aa.

						>X5J4U4_MOUSE|X5J4U4
GPGLVKPSQSLSLTCTVTGYSITSDYAWNWIRQFPGNKLEWMGYISYSGSTSYNPSLKSRISITRDTSKNQFFLQLNSVTTEDTATYYCARRGLWLRFDYWGQGTTLTVSS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	G	47.8	Very low	72.5	Confident	120 Å²	120	78.5 Å²	78.5	100%	1.237	51%	0.511	S	S	*	.				0	143.8	0	0	0	0	0	0	108.4
2	P	52.2	Low	74	Confident	84 Å²	84	77.5 Å²	77.5	55%	0.545	51%	0.507	S	S	.	.			trans	-79.9	126.4	172.7	35.5	-29	0	0	0	105.6	T105 L107	P2-T105 HydrophobicContact CG-CG2 3.44Å; P2-T105 VanDerWaalsContact CG-CG2 3.44Å; P2-L107 VanDerWaalsContact O-CD2 3.27Å; P2-L107 WeakPolarHBondContact O-CD2 3.41Å
3	G	66.4	Low	75.4	Confident	36 Å²	36	72.6 Å²	72.6	37%	0.371	47%	0.474	S	S	.	.			cis	169.7	131	0.4	0	0	0	0	0	102.6	V5	G3-V5 VanDerWaalsContact O-CG2 3.28Å; G3-V5 WeakPolarHBondContact O-CG2 3.39Å; G3-V5 PolarHBondContact O-N 3.21Å
4	L	66.8	Low	76.8	Confident	129 Å²	129	72.7 Å²	72.7	68%	0.675	47%	0.473	S	S	*	.			trans	-58.3	120.5	177.4	-166.2	72.8	0	0	0	108.4	T108 S110	L4-T108 HydrophobicContact CD1-CG2 4.22Å; L4-S110 VanDerWaalsContact CD1-OG 3.3Å; L4-S110 WeakPolarHBondContact CD1-OG 3.38Å
5	V	73.8	Confident	77.8	Confident	18 Å²	18	68.7 Å²	68.7	11%	0.109	45%	0.446	C	S	.	.	B	Isolated β-bridge	trans	-108.6	138.1	-179.7	-169.1	0	0	0	0	109.1	G3 Q9 L11 V79 T108 V109 S110	G3-V5 VanDerWaalsContact O-CG2 3.28Å; G3-V5 WeakPolarHBondContact O-CG2 3.39Å; G3-V5 PolarHBondContact O-N 3.21Å; V5-Q9 HydrophobicContact CG1-CB 3.92Å; V5-L11 HydrophobicContact CG2-CD1 4.32Å; V5-V79 HydrophobicContact CG1-CG2 3.8Å; V5-T108 PolarHBondContact N-O 3.04Å; V5-T108 VanDerWaalsContact N-O 3.14Å; V5-V109 HydrophobicContact CB-CG2 4.48Å; V5-V109 WeakPolarHBondContact O-CA 3.3Å; V5-S110 PolarHBondContact O-N 2.69Å
6	K	76.2	Confident	78.8	Confident	140 Å²	140	69.2 Å²	69.2	61%	0.609	45%	0.448	S	S	*	.			trans	-79.8	149.5	174	-68	-175.1	178	-175.4	0	110.3	Q9 V79	K6-Q9 HydrophobicContact CB-CG 4.27Å; K6-Q9 VanDerWaalsContact N-OE1 3.16Å; K6-Q9 WeakPolarHBondContact O-CB 3.25Å; K6-Q9 WeakPolarHBondContact O-CG 3.34Å; K6-Q9 PolarHBondContact O-N 3.07Å; K6-V79 WeakPolarHBondContact O-CG2 3.16Å
7	P	77.7	Confident	79.4	Confident	50 Å²	50	66.2 Å²	66.2	33%	0.325	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	152.8	172.9	-25.3	33.9	0	0	0	112.6	Q9 V79 V109 S110	P7-Q9 PolarHBondContact O-N 3.31Å; P7-Q9 VanDerWaalsContact O-N 3.13Å; P7-V79 WeakPolarHBondContact CA-O 3.36Å; P7-V109 HydrophobicContact CG-CG1 4.25Å; P7-S110 WeakPolarHBondContact CD-O 3.4Å
8	S	78.7	Confident	79.9	Confident	102 Å²	102	69.2 Å²	69.2	71%	0.713	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	2.3	179.6	-51.4	0	0	0	0	115.7	V79	S8-V79 PolarHBondContact N-O 3.14Å
9	Q	83.9	Confident	80.2	Confident	95 Å²	95	69.8 Å²	69.8	44%	0.444	47%	0.466	S	S	.	.			trans	-79.6	165	169.4	-64.7	-171.9	-42.8	0	0	111.1	V5 K6 P7 S78 V79	V5-Q9 HydrophobicContact CG1-CB 3.92Å; K6-Q9 HydrophobicContact CB-CG 4.27Å; K6-Q9 VanDerWaalsContact N-OE1 3.16Å; K6-Q9 WeakPolarHBondContact O-CB 3.25Å; K6-Q9 WeakPolarHBondContact O-CG 3.34Å; K6-Q9 PolarHBondContact O-N 3.07Å; P7-Q9 PolarHBondContact O-N 3.31Å; P7-Q9 VanDerWaalsContact O-N 3.13Å; Q9-S78 PolarHBondContact O-N 3.04Å; Q9-V79 HydrophobicContact CB-CG2 4.46Å; Q9-V79 WeakPolarHBondContact O-CG2 3.32Å; Q9-V79 PolarHBondContact O-N 2.78Å; Q9-V79 VanDerWaalsContact O-N 3.08Å
10	S	86.3	Confident	80.3	Confident	71 Å²	71	71.9 Å²	71.9	50%	0.497	47%	0.465	S	S	.	.			trans	-99.9	132.6	169.3	-66.1	0	0	0	0	109.6	L76 N77	S10-L76 CarbonylContact C-O 3.56Å; S10-L76 WeakPolarHBondContact CA-O 3.42Å; S10-N77 WeakPolarHBondContact CB-OD1 3.42Å; S10-N77 PolarHBondContact OG-OD1 2.82Å
11	L	87.7	Confident	80.7	Confident	18 Å²	18	70.9 Å²	70.9	9%	0.094	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	132.1	178.8	167.3	70.5	0	0	0	109.2	V5 L13 Q75 L76 V79 L107	V5-L11 HydrophobicContact CG2-CD1 4.32Å; L11-L13 HydrophobicContact CD1-CD2 4.22Å; L11-L13 HydrophobicContact CD1-CG 4.36Å; L11-L13 HydrophobicContact CD2-CD1 4.19Å; L11-L13 HydrophobicContact CD2-CG 4.21Å; L11-L13 HydrophobicContact CG-CG 4.17Å; L11-Q75 CarbonylContact O-C 3.58Å; L11-Q75 WeakPolarHBondContact O-CA 3.43Å; L11-Q75 PolarHBondContact O-NE2 2.81Å; L11-L76 PolarHBondContact N-O 3.19Å; L11-L76 PolarHBondContact O-N 3.09Å; L11-V79 HydrophobicContact CB-CG1 3.9Å; L11-L107 HydrophobicContact CD1-CD1 3.91Å; L11-L107 HydrophobicContact CD1-CD2 4.39Å; L11-L107 HydrophobicContact CD2-CD1 3.22Å; L11-L107 HydrophobicContact CG-CD1 4.11Å
12	S	91.1	Very high	82.7	Confident	67 Å²	67	65.2 Å²	65.2	47%	0.469	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.9	171.9	-151.1	0	0	0	0	109.8	L74 Q75	S12-L74 CarbonylContact C-O 3.5Å; S12-L74 WeakPolarHBondContact CA-O 3.47Å; S12-Q75 PolarHBondContact OG-OE1 3.36Å
13	L	92.2	Very high	84.5	Confident	14 Å²	14	64.3 Å²	64.3	7%	0.073	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	138.8	176	-66.1	169.7	0	0	0	110.2	L11 W30 F73 L74 Y87 T105 L107	L11-L13 HydrophobicContact CD1-CD2 4.22Å; L11-L13 HydrophobicContact CD1-CG 4.36Å; L11-L13 HydrophobicContact CD2-CD1 4.19Å; L11-L13 HydrophobicContact CD2-CG 4.21Å; L11-L13 HydrophobicContact CG-CG 4.17Å; L13-W30 HydrophobicContact CB-CH2 3.63Å; L13-W30 HydrophobicContact CB-CZ2 4.25Å; L13-W30 HydrophobicContact CB-CZ3 3.98Å; L13-W30 HydrophobicContact CD1-CZ3 4.2Å; L13-F73 CarbonylContact O-C 3.5Å; L13-F73 WeakPolarHBondContact O-CA 3.46Å; L13-L74 HydrophobicContact CB-CB 4.36Å; L13-L74 HydrophobicContact CD1-CD2 4.25Å; L13-L74 PolarHBondContact N-O 2.94Å; L13-L74 PolarHBondContact O-N 2.78Å; L13-Y87 HydrophobicContact CD1-CD1 3.53Å; L13-Y87 HydrophobicContact CD1-CD2 4.22Å; L13-Y87 HydrophobicContact CD1-CE1 4.2Å; L13-Y87 HydrophobicContact CD1-CG 3.52Å; L13-T105 HydrophobicContact CD2-CG2 4.38Å; L13-L107 HydrophobicContact CD1-CD1 3.81Å; L13-L107 HydrophobicContact CD2-CD1 3.59Å; L13-L107 HydrophobicContact CD2-CD2 4.48Å; L13-L107 HydrophobicContact CD2-CG 4.48Å; L13-L107 HydrophobicContact CG-CD1 4.09Å
14	T	94.2	Very high	85.4	Confident	74 Å²	74	64 Å²	64	45%	0.454	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.9	179.6	-56.4	0	0	0	0	109.6	Q71 F73	T14-Q71 HydrophobicContact CG2-CB 4.39Å; T14-Q71 HydrophobicContact CG2-CG 4.15Å; T14-F73 HydrophobicContact CG2-CD1 3.84Å; T14-F73 HydrophobicContact CG2-CE1 3.47Å; T14-F73 VanDerWaalsContact CG2-CE1 3.47Å; T14-F73 HydrophobicContact CG2-CZ 4.35Å; T14-F73 VanDerWaalsContact OG1-CD1 3.3Å; T14-F73 WeakPolarHBondContact OG1-CD1 3.5Å; T14-F73 WeakPolarHBondContact OG1-CE1 3.47Å
15	C	93	Very high	86.2	Confident	12 Å²	12	61.6 Å²	61.6	8%	0.081	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.7	165.4	-175.7	0	0	0	0	109.2	W30 Q71 F72 C89	C15-W30 HydrophobicContact CB-CH2 3.92Å; C15-W30 HydrophobicContact CB-CZ2 3.86Å; C15-Q71 WeakPolarHBondContact O-CA 3.4Å; C15-F72 HydrophobicContact CB-CD1 4.01Å; C15-F72 HydrophobicContact CB-CD2 4.29Å; C15-F72 HydrophobicContact CB-CE1 3.6Å; C15-F72 HydrophobicContact CB-CE2 3.9Å; C15-F72 HydrophobicContact CB-CG 4.36Å; C15-F72 HydrophobicContact CB-CZ 3.58Å; C15-F72 PolarHBondContact N-O 3.02Å; C15-F72 PolarHBondContact O-N 2.85Å; C15-F72 WeakPolarHBondContact SG-CE1 3.28Å; C15-F72 WeakPolarHBondContact SG-CZ 3.23Å; C15-C89 HydrophobicContact CB-CB 3.4Å; C15-C89 WeakPolarHBondContact CB-SG 3.25Å; C15-C89 WeakPolarHBondContact SG-CB 3.45Å; C15-C89 CovalentContact SG-SG 2.04Å; C15-C89 PolarHBondContact SG-SG 2.66Å
16	T	93.1	Very high	86.8	Confident	77 Å²	77	63 Å²	63	47%	0.472	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	124.9	173.8	-55.8	0	0	0	0	108.6	Q71	T16-Q71 HydrophobicContact CG2-CG 4.13Å; T16-Q71 PolarHBondContact OG1-NE2 3.21Å
17	V	89.6	Confident	87.4	Confident	18 Å²	18	57.1 Å²	57.1	11%	0.109	36%	0.355	C	S	.	.			trans	-93.3	132.8	177	-178.4	0	0	0	0	108.9	Y20 I22 W28 N70 F72	V17-Y20 WeakPolarHBondContact CG1-O 3.41Å; V17-I22 HydrophobicContact CB-CG2 3.84Å; V17-I22 HydrophobicContact CG2-CG2 3.52Å; V17-W28 HydrophobicContact CB-CH2 4.5Å; V17-W28 HydrophobicContact CG1-CH2 3.68Å; V17-W28 HydrophobicContact CG1-CZ2 4.47Å; V17-W28 HydrophobicContact CG1-CZ3 3.96Å; V17-W28 HydrophobicContact CG2-CE3 3.97Å; V17-W28 HydrophobicContact CG2-CH2 4.06Å; V17-W28 HydrophobicContact CG2-CZ3 3.69Å; V17-N70 PolarHBondContact N-O 2.86Å; V17-N70 PolarHBondContact O-ND2 3.06Å; V17-F72 HydrophobicContact CG2-CD1 4.1Å; V17-F72 HydrophobicContact CG2-CE1 3.7Å
18	T	88.1	Confident	88.2	Confident	120 Å²	120	55.3 Å²	55.3	74%	0.736	34%	0.342	S	S	*	.			trans	-121.6	138.2	177.8	54.1	0	0	0	0	109.6	Y20	T18-Y20 VanDerWaalsContact C-N 3.27Å; T18-Y20 PolarHBondContact O-N 2.95Å
19	G	85.1	Confident	88.9	Confident	82 Å²	82	50.4 Å²	50.4	85%	0.845	31%	0.308	S	S	*	.	S	Bend	trans	80	-4.2	178.1	0	0	0	0	0	115.9
20	Y	82.7	Confident	89.4	Confident	111 Å²	111	46.3 Å²	46.3	44%	0.435	29%	0.288	S	S	.	.	S	Bend	trans	-144.4	153.7	174.7	-86.5	-88.2	0	0	0	110.4	V17 T18 Y26 N70	V17-Y20 WeakPolarHBondContact CG1-O 3.41Å; T18-Y20 VanDerWaalsContact C-N 3.27Å; T18-Y20 PolarHBondContact O-N 2.95Å; Y20-Y26 HydrophobicContact CD1-CE2 4.14Å; Y20-Y26 HydrophobicContact CE1-CE2 4.31Å; Y20-N70 PolarHBondContact O-ND2 2.85Å
21	S	88.1	Confident	89.8	Confident	51 Å²	51	43.2 Å²	43.2	36%	0.357	27%	0.266	S	S	.	.			trans	-86.7	137.2	173.5	179	0	0	0	0	111.7	T23 S24 N70	S21-T23 PolarHBondContact O-N 3.02Å; S21-T23 VanDerWaalsContact O-N 3.12Å; S21-T23 PolarHBondContact OG-N 3.46Å; S21-T23 VanDerWaalsContact OG-N 3.16Å; S21-T23 PolarHBondContact OG-OG1 3.12Å; S21-S24 WeakPolarHBondContact O-CB 3.4Å; S21-S24 PolarHBondContact O-N 3.42Å; S21-S24 PolarHBondContact O-OG 3.3Å; S21-N70 WeakPolarHBondContact CA-OD1 3.38Å
22	I	89.7	Confident	90.1	Very high	0 Å²	0	43 Å²	43	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-10.9	172.3	64.9	171.5	0	0	0	114	V17 W28 R65 T67 N70 Q71 F72	V17-I22 HydrophobicContact CB-CG2 3.84Å; V17-I22 HydrophobicContact CG2-CG2 3.52Å; I22-W28 VanDerWaalsContact CA-NE1 3.32Å; I22-W28 HydrophobicContact CB-CZ2 4.36Å; I22-W28 HydrophobicContact CG2-CD2 4.39Å; I22-W28 HydrophobicContact CG2-CZ2 4.23Å; I22-W28 PolarHBondContact O-NE1 2.94Å; I22-R65 HydrophobicContact CD1-CB 3.98Å; I22-T67 HydrophobicContact CD1-CG2 4.15Å; I22-T67 HydrophobicContact CG1-CG2 4.31Å; I22-N70 WeakPolarHBondContact CG2-OD1 3.38Å; I22-N70 PolarHBondContact N-OD1 3.06Å; I22-Q71 VanDerWaalsContact CD1-O 3.25Å; I22-Q71 WeakPolarHBondContact CD1-O 3.3Å; I22-F72 HydrophobicContact CG2-CD1 4.31Å
23	T	89.7	Confident	90.3	Very high	65 Å²	65	41.8 Å²	41.8	40%	0.399	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-0.4	174.4	61.7	0	0	0	0	113.5	S21 T67	S21-T23 PolarHBondContact O-N 3.02Å; S21-T23 VanDerWaalsContact O-N 3.12Å; S21-T23 PolarHBondContact OG-N 3.46Å; S21-T23 VanDerWaalsContact OG-N 3.16Å; S21-T23 PolarHBondContact OG-OG1 3.12Å; T23-T67 HydrophobicContact CG2-CG2 3.44Å; T23-T67 VanDerWaalsContact CG2-CG2 3.44Å
24	S	85.6	Confident	90.3	Very high	29 Å²	29	43 Å²	43	20%	0.203	26%	0.256	C	S	.	.	S	Bend	trans	-69.9	150.2	165.8	57.5	0	0	0	0	109.8	S21 Y26 Y47	S21-S24 WeakPolarHBondContact O-CB 3.4Å; S21-S24 PolarHBondContact O-N 3.42Å; S21-S24 PolarHBondContact O-OG 3.3Å; S24-Y26 PolarHBondContact O-N 2.83Å; S24-Y26 WeakPolarHBondContact OG-CD2 3.42Å; S24-Y26 WeakPolarHBondContact OG-CE2 3.47Å; S24-Y47 WeakPolarHBondContact O-CB 3.08Å
25	D	83.8	Confident	90	Very high	79 Å²	79	44.7 Å²	44.7	42%	0.422	27%	0.268	S	S	.	.	S	Bend	trans	-51.8	46.9	-171	54.1	-42.8	0	0	0	116.6
26	Y	86.6	Confident	89.9	Confident	48 Å²	48	47.5 Å²	47.5	19%	0.188	30%	0.299	C	S	.	.			trans	-128.2	165.6	-175.3	-60.4	-58	0	0	0	111.3	Y20 S24 W28 Y47 R91	Y20-Y26 HydrophobicContact CD1-CE2 4.14Å; Y20-Y26 HydrophobicContact CE1-CE2 4.31Å; S24-Y26 PolarHBondContact O-N 2.83Å; S24-Y26 WeakPolarHBondContact OG-CD2 3.42Å; S24-Y26 WeakPolarHBondContact OG-CE2 3.47Å; Y26-W28 HydrophobicContact CD2-CZ2 4.48Å; Y26-Y47 PolarHBondContact O-N 2.9Å; Y26-R91 HydrophobicContact CD1-CG 4.34Å; Y26-R91 HydrophobicContact CD2-CG 4.35Å; Y26-R91 HydrophobicContact CG-CG 3.94Å
27	A	89.9	Confident	89.5	Confident	17 Å²	17	49.8 Å²	49.8	14%	0.14	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	139	165.9	0	0	0	0	0	110.7	N29 Y44 R92	A27-N29 PolarHBondContact O-ND2 3.45Å; A27-Y44 HydrophobicContact CB-CD2 4.01Å; A27-Y44 HydrophobicContact CB-CG 4.29Å; A27-R92 HydrophobicContact CB-CB 4.38Å; A27-R92 PolarHBondContact N-O 2.9Å; A27-R92 VanDerWaalsContact N-O 3.14Å; A27-R92 PolarHBondContact O-N 3.05Å
28	W	92.5	Very high	89.7	Confident	11 Å²	11	55.7 Å²	55.7	4%	0.042	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117.8	-179.8	-56.3	100.5	0	0	0	109	V17 I22 Y26 Y44 I45 F72 R91	V17-W28 HydrophobicContact CB-CH2 4.5Å; V17-W28 HydrophobicContact CG1-CH2 3.68Å; V17-W28 HydrophobicContact CG1-CZ2 4.47Å; V17-W28 HydrophobicContact CG1-CZ3 3.96Å; V17-W28 HydrophobicContact CG2-CE3 3.97Å; V17-W28 HydrophobicContact CG2-CH2 4.06Å; V17-W28 HydrophobicContact CG2-CZ3 3.69Å; I22-W28 VanDerWaalsContact CA-NE1 3.32Å; I22-W28 HydrophobicContact CB-CZ2 4.36Å; I22-W28 HydrophobicContact CG2-CD2 4.39Å; I22-W28 HydrophobicContact CG2-CZ2 4.23Å; I22-W28 PolarHBondContact O-NE1 2.94Å; Y26-W28 HydrophobicContact CD2-CZ2 4.48Å; W28-Y44 CarbonylContact O-C 3.59Å; W28-Y44 WeakPolarHBondContact O-CA 3.3Å; W28-Y44 WeakPolarHBondContact O-CB 3.27Å; W28-I45 HydrophobicContact CB-CG2 4.09Å; W28-I45 PolarHBondContact N-O 2.91Å; W28-I45 PolarHBondContact O-N 3.48Å; W28-F72 HydrophobicContact CB-CD1 4.02Å; W28-F72 HydrophobicContact CB-CD2 4.02Å; W28-F72 HydrophobicContact CB-CE1 3.8Å; W28-F72 HydrophobicContact CB-CE2 3.82Å; W28-F72 HydrophobicContact CB-CG 4.09Å; W28-F72 HydrophobicContact CB-CZ 3.66Å; W28-F72 HydrophobicContact CD2-CD1 4.48Å; W28-F72 HydrophobicContact CD2-CE1 4.05Å; W28-F72 AromaticContact CE3-CE1 3.78Å; W28-F72 HydrophobicContact CE3-CE1 3.78Å; W28-F72 HydrophobicContact CE3-CZ 4.18Å; W28-F72 HydrophobicContact CG-CD1 4.21Å; W28-F72 HydrophobicContact CG-CE1 4.07Å; W28-F72 HydrophobicContact CG-CZ 4.37Å; W28-R91 HydrophobicContact CE3-CB 4.02Å; W28-R91 HydrophobicContact CE3-CG 4.07Å; W28-R91 HydrophobicContact CH2-CB 4.24Å; W28-R91 HydrophobicContact CH2-CG 3.71Å; W28-R91 HydrophobicContact CZ2-CG 4.31Å; W28-R91 HydrophobicContact CZ3-CB 3.61Å; W28-R91 HydrophobicContact CZ3-CG 3.57Å
29	N	94	Very high	89.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	148	-166.1	-65.8	-107.4	0	0	0	110.2	A27 W41 G43 Y44 C89 A90 R92 F98	A27-N29 PolarHBondContact O-ND2 3.45Å; N29-W41 PolarHBondContact OD1-NE1 2.69Å; N29-W41 VanDerWaalsContact OD1-NE1 3.11Å; N29-G43 WeakPolarHBondContact CA-O 3.42Å; N29-Y44 VanDerWaalsContact OD1-CB 3.3Å; N29-Y44 WeakPolarHBondContact OD1-CB 3.33Å; N29-C89 CarbonylContact O-C 3.58Å; N29-C89 VanDerWaalsContact O-CA 3.29Å; N29-C89 WeakPolarHBondContact O-CA 3.3Å; N29-A90 PolarHBondContact N-O 3.24Å; N29-A90 PolarHBondContact O-N 3.32Å; N29-R92 WeakPolarHBondContact ND2-CB 3.39Å; N29-F98 HydrophobicContact CB-CE1 3.73Å; N29-F98 HydrophobicContact CB-CZ 4.44Å; N29-F98 VanDerWaalsContact CG-CE1 3.45Å
30	W	95.2	Very high	90.4	Very high	8 Å²	8	52.5 Å²	52.5	3%	0.03	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.4	167.5	-76.1	102.3	0	0	0	109.7	L13 C15 M42 G43 F72 L74 C89	L13-W30 HydrophobicContact CB-CH2 3.63Å; L13-W30 HydrophobicContact CB-CZ2 4.25Å; L13-W30 HydrophobicContact CB-CZ3 3.98Å; L13-W30 HydrophobicContact CD1-CZ3 4.2Å; C15-W30 HydrophobicContact CB-CH2 3.92Å; C15-W30 HydrophobicContact CB-CZ2 3.86Å; W30-M42 HydrophobicContact CB-CB 4.21Å; W30-M42 WeakPolarHBondContact O-CB 3.34Å; W30-M42 PolarHBondContact O-N 2.67Å; W30-G43 PolarHBondContact N-O 3.2Å; W30-F72 HydrophobicContact CD2-CE2 4.42Å; W30-F72 AromaticContact CE2-CD2 3.87Å; W30-F72 AromaticContact CE2-CE2 3.75Å; W30-F72 HydrophobicContact CZ2-CD2 4.18Å; W30-F72 HydrophobicContact CZ2-CE2 4.13Å; W30-F72 AromaticContact NE1-CD2 3.32Å; W30-F72 VanDerWaalsContact NE1-CD2 3.32Å; W30-F72 AromaticContact NE1-CE2 3.48Å; W30-L74 HydrophobicContact CB-CD2 4.12Å; W30-L74 HydrophobicContact CD2-CB 3.67Å; W30-L74 HydrophobicContact CD2-CD2 4.04Å; W30-L74 HydrophobicContact CD2-CG 4.42Å; W30-L74 VanDerWaalsContact CE2-CB 3.48Å; W30-L74 HydrophobicContact CE3-CB 4.3Å; W30-L74 HydrophobicContact CE3-CD2 4.19Å; W30-L74 HydrophobicContact CG-CB 3.86Å; W30-L74 HydrophobicContact CG-CD1 4.35Å; W30-L74 HydrophobicContact CG-CD2 4.02Å; W30-L74 HydrophobicContact CG-CG 4.31Å; W30-L74 HydrophobicContact CZ2-CB 3.96Å; W30-C89 HydrophobicContact CE3-CB 4.26Å; W30-C89 HydrophobicContact CH2-CB 4.24Å; W30-C89 HydrophobicContact CZ2-CB 4.5Å; W30-C89 HydrophobicContact CZ3-CB 4.11Å
31	I	94.6	Very high	90.9	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	135.6	-177.8	-57.1	170.7	0	0	0	106.8	L39 E40 Y88 A90 F98 W101	I31-L39 HydrophobicContact CG2-CB 4.38Å; I31-L39 HydrophobicContact CG2-CD2 3.95Å; I31-E40 WeakPolarHBondContact CA-O 3.41Å; I31-Y88 PolarHBondContact N-O 3.04Å; I31-Y88 PolarHBondContact O-N 2.82Å; I31-A90 HydrophobicContact CD1-CB 4.01Å; I31-F98 HydrophobicContact CD1-CD1 4.48Å; I31-F98 HydrophobicContact CD1-CE1 4.15Å; I31-F98 HydrophobicContact CD1-CE2 4.29Å; I31-F98 HydrophobicContact CD1-CZ 4.05Å; I31-W101 HydrophobicContact CB-CH2 4.33Å; I31-W101 HydrophobicContact CB-CZ3 4.12Å; I31-W101 HydrophobicContact CD1-CH2 3.28Å; I31-W101 HydrophobicContact CD1-CZ2 3.78Å; I31-W101 HydrophobicContact CD1-CZ3 3.72Å; I31-W101 HydrophobicContact CG1-CH2 4.37Å; I31-W101 HydrophobicContact CG2-CH2 4.04Å; I31-W101 HydrophobicContact CG2-CZ3 4.06Å
32	R	94.4	Very high	91.3	Very high	13 Å²	13	48.3 Å²	48.3	5%	0.049	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	144.5	172.1	65.2	179.2	177.5	173.5	4.9	110.9	F34 L39 E40 M42 D83 A85 T86 Y87	R32-F34 HydrophobicContact CG-CE2 4.39Å; R32-F34 HydrophobicContact CG-CZ 4.27Å; R32-L39 CarbonylContact O-C 3.54Å; R32-L39 WeakPolarHBondContact O-CA 3.3Å; R32-E40 HydrophobicContact CG-CB 4.11Å; R32-E40 IonicContact CZ-OE2 2.67Å; R32-E40 PolarHBondContact N-O 2.83Å; R32-E40 IonicContact NE-OE2 3.75Å; R32-E40 PolarHBondContact NE-OE2 2.94Å; R32-E40 IonicContact NH2-OE2 3.64Å; R32-E40 PolarHBondContact NH2-OE2 2.9Å; R32-E40 PolarHBondContact O-N 2.84Å; R32-M42 HydrophobicContact CB-CG 4.5Å; R32-M42 HydrophobicContact CB-SD 3.96Å; R32-M42 HydrophobicContact CG-CG 4.05Å; R32-M42 HydrophobicContact CG-SD 3.95Å; R32-D83 IonicContact CZ-OD1 3.08Å; R32-D83 IonicContact NH1-OD1 3.64Å; R32-D83 PolarHBondContact NH1-OD1 3.5Å; R32-D83 IonicContact NH2-OD1 3.95Å; R32-A85 HydrophobicContact CB-CB 3.91Å; R32-A85 HydrophobicContact CG-CB 4.43Å; R32-T86 CarbonylContact C-O 3.59Å; R32-T86 WeakPolarHBondContact CA-O 3.27Å; R32-Y87 HydrophobicContact CB-CD1 3.96Å; R32-Y87 HydrophobicContact CB-CE1 4.02Å; R32-Y87 HydrophobicContact CB-CG 4.34Å
33	Q	94.4	Very high	91.5	Very high	42 Å²	42	48.3 Å²	48.3	20%	0.196	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	117.4	177.9	-170.1	-177.1	25.4	0	0	109.2	N37 K38 L39 A85 T86 Y88	Q33-N37 PolarHBondContact NE2-OD1 3.17Å; Q33-K38 WeakPolarHBondContact CA-O 3.38Å; Q33-L39 HydrophobicContact CB-CD2 3.62Å; Q33-L39 HydrophobicContact CG-CD2 3.74Å; Q33-L39 HydrophobicContact CG-CG 4.46Å; Q33-A85 CarbonylContact O-C 3.59Å; Q33-A85 WeakPolarHBondContact O-CA 3.35Å; Q33-A85 WeakPolarHBondContact O-CB 3.16Å; Q33-T86 PolarHBondContact N-O 3.12Å; Q33-T86 PolarHBondContact O-N 3.03Å; Q33-Y88 HydrophobicContact CB-CD2 4.27Å; Q33-Y88 HydrophobicContact CB-CE2 3.6Å; Q33-Y88 PolarHBondContact OE1-OH 2.81Å
34	F	92.9	Very high	91.8	Very high	40 Å²	40	48.2 Å²	48.2	18%	0.175	26%	0.258	C	S	.	.			trans	-77	159.6	176.2	-63.4	-73.8	0	0	0	111.5	R32 G36 N37 K38 E40 E82 A85	R32-F34 HydrophobicContact CG-CE2 4.39Å; R32-F34 HydrophobicContact CG-CZ 4.27Å; F34-G36 PolarHBondContact O-N 2.81Å; F34-N37 PolarHBondContact O-N 3.14Å; F34-N37 VanDerWaalsContact O-N 3.07Å; F34-K38 HydrophobicContact CB-CB 4.46Å; F34-K38 HydrophobicContact CD2-CB 4.36Å; F34-K38 HydrophobicContact CD2-CD 4.43Å; F34-K38 HydrophobicContact CD2-CG 4.37Å; F34-K38 PolarHBondContact N-O 2.76Å; F34-E40 HydrophobicContact CE2-CB 3.88Å; F34-E82 VanDerWaalsContact CE1-O 3.28Å; F34-E82 WeakPolarHBondContact CE1-O 3.38Å; F34-A85 HydrophobicContact CD1-CB 4.08Å; F34-A85 HydrophobicContact CE1-CB 4.3Å
35	P	87.7	Confident	92.2	Very high	109 Å²	109	47.2 Å²	47.2	71%	0.708	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	131.1	161.2	-24.3	34.3	0	0	0	110.1
36	G	89.6	Confident	92.6	Very high	72 Å²	72	44 Å²	44	74%	0.742	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.9	14.4	-172.1	0	0	0	0	0	115.2	F34 K38	F34-G36 PolarHBondContact O-N 2.81Å; G36-K38 PolarHBondContact O-N 2.74Å
37	N	86.3	Confident	92.8	Very high	125 Å²	125	47.4 Å²	47.4	67%	0.668	25%	0.247	S	C	*	.	S	Bend	trans	66	13.3	170.9	-60.3	-49.8	0	0	0	116.3	Q33 F34 L39	Q33-N37 PolarHBondContact NE2-OD1 3.17Å; F34-N37 PolarHBondContact O-N 3.14Å; F34-N37 VanDerWaalsContact O-N 3.07Å; N37-L39 PolarHBondContact O-N 3.43Å
38	K	92.5	Very high	92.8	Very high	141 Å²	141	50.3 Å²	50.3	61%	0.613	27%	0.266	S	S	*	.			trans	-72.2	121.2	172.3	-177.2	-179.1	176.5	-174.5	0	109.8	Q33 F34 G36	Q33-K38 WeakPolarHBondContact CA-O 3.38Å; F34-K38 HydrophobicContact CB-CB 4.46Å; F34-K38 HydrophobicContact CD2-CB 4.36Å; F34-K38 HydrophobicContact CD2-CD 4.43Å; F34-K38 HydrophobicContact CD2-CG 4.37Å; F34-K38 PolarHBondContact N-O 2.76Å; G36-K38 PolarHBondContact O-N 2.74Å
39	L	92.8	Very high	92.8	Very high	93 Å²	93	51.1 Å²	51.1	49%	0.487	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	139.9	174.4	-68	168.8	0	0	0	110.9	I31 R32 Q33 N37 W101	I31-L39 HydrophobicContact CG2-CB 4.38Å; I31-L39 HydrophobicContact CG2-CD2 3.95Å; R32-L39 CarbonylContact O-C 3.54Å; R32-L39 WeakPolarHBondContact O-CA 3.3Å; Q33-L39 HydrophobicContact CB-CD2 3.62Å; Q33-L39 HydrophobicContact CG-CD2 3.74Å; Q33-L39 HydrophobicContact CG-CG 4.46Å; N37-L39 PolarHBondContact O-N 3.43Å; L39-W101 HydrophobicContact CD1-CH2 4.44Å
40	E	94.7	Very high	92.7	Very high	42 Å²	42	53.9 Å²	53.9	20%	0.196	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	121.7	171.9	-176.1	175.7	-121	0	0	110	I31 R32 F34	I31-E40 WeakPolarHBondContact CA-O 3.41Å; R32-E40 HydrophobicContact CG-CB 4.11Å; R32-E40 IonicContact CZ-OE2 2.67Å; R32-E40 PolarHBondContact N-O 2.83Å; R32-E40 IonicContact NE-OE2 3.75Å; R32-E40 PolarHBondContact NE-OE2 2.94Å; R32-E40 IonicContact NH2-OE2 3.64Å; R32-E40 PolarHBondContact NH2-OE2 2.9Å; R32-E40 PolarHBondContact O-N 2.84Å; F34-E40 HydrophobicContact CE2-CB 3.88Å
41	W	94.5	Very high	92.7	Very high	75 Å²	75	56.4 Å²	56.4	28%	0.284	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	129.8	170.8	175.3	78.7	0	0	0	109.4	N29 G43 Y44 N54	N29-W41 PolarHBondContact OD1-NE1 2.69Å; N29-W41 VanDerWaalsContact OD1-NE1 3.11Å; W41-G43 VanDerWaalsContact CE2-CA 3.5Å; W41-G43 VanDerWaalsContact CZ2-C 3.43Å; W41-G43 PolarHBondContact NE1-O 2.73Å; W41-Y44 HydrophobicContact CH2-CD1 4.47Å; W41-Y44 AromaticContact CZ2-CD1 3.61Å; W41-Y44 HydrophobicContact CZ2-CD1 3.61Å; W41-Y44 HydrophobicContact CZ2-CE1 4.35Å; W41-Y44 HydrophobicContact CZ2-CG 4.41Å; W41-N54 HydrophobicContact CE3-CB 4.01Å; W41-N54 HydrophobicContact CZ3-CB 4.09Å; W41-N54 VanDerWaalsContact O-CB 3.3Å; W41-N54 WeakPolarHBondContact O-CB 3.43Å; W41-N54 PolarHBondContact O-ND2 2.92Å
42	M	95.4	Very high	92.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-41.3	-177.4	-58.1	-175.4	73.3	0	0	111.8	W30 R32 N54 L57 I61 L74 Y87	W30-M42 HydrophobicContact CB-CB 4.21Å; W30-M42 WeakPolarHBondContact O-CB 3.34Å; W30-M42 PolarHBondContact O-N 2.67Å; R32-M42 HydrophobicContact CB-CG 4.5Å; R32-M42 HydrophobicContact CB-SD 3.96Å; R32-M42 HydrophobicContact CG-CG 4.05Å; R32-M42 HydrophobicContact CG-SD 3.95Å; M42-N54 WeakPolarHBondContact O-CB 3.43Å; M42-N54 PolarHBondContact O-N 2.89Å; M42-L57 HydrophobicContact CB-CD1 4.11Å; M42-L57 HydrophobicContact CE-CD1 4.02Å; M42-L57 HydrophobicContact CG-CD1 3.92Å; M42-I61 HydrophobicContact CB-CD1 4.32Å; M42-I61 HydrophobicContact CE-CG2 4Å; M42-I61 WeakPolarHBondContact O-CD1 3.34Å; M42-L74 HydrophobicContact CE-CD2 3.74Å; M42-L74 HydrophobicContact SD-CD2 3.67Å; M42-Y87 HydrophobicContact CE-CE1 3.87Å; M42-Y87 HydrophobicContact SD-CD1 3.76Å; M42-Y87 HydrophobicContact SD-CE1 3.61Å
43	G	95.3	Very high	92.8	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.1	174.8	-175.2	0	0	0	0	0	112.2	N29 W30 W41 S52 I63	N29-G43 WeakPolarHBondContact CA-O 3.42Å; W30-G43 PolarHBondContact N-O 3.2Å; W41-G43 VanDerWaalsContact CE2-CA 3.5Å; W41-G43 VanDerWaalsContact CZ2-C 3.43Å; W41-G43 PolarHBondContact NE1-O 2.73Å; G43-S52 CarbonylContact C-O 3.57Å; G43-S52 WeakPolarHBondContact CA-O 3.39Å; G43-I63 VanDerWaalsContact C-CD1 3.42Å
44	Y	94.8	Very high	92.9	Very high	63 Å²	63	59.1 Å²	59.1	25%	0.247	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	160.3	170.8	76.5	-108.9	0	0	0	112.4	A27 W28 N29 W41 T51 S52	A27-Y44 HydrophobicContact CB-CD2 4.01Å; A27-Y44 HydrophobicContact CB-CG 4.29Å; W28-Y44 CarbonylContact O-C 3.59Å; W28-Y44 WeakPolarHBondContact O-CA 3.3Å; W28-Y44 WeakPolarHBondContact O-CB 3.27Å; N29-Y44 VanDerWaalsContact OD1-CB 3.3Å; N29-Y44 WeakPolarHBondContact OD1-CB 3.33Å; W41-Y44 HydrophobicContact CH2-CD1 4.47Å; W41-Y44 AromaticContact CZ2-CD1 3.61Å; W41-Y44 HydrophobicContact CZ2-CD1 3.61Å; W41-Y44 HydrophobicContact CZ2-CE1 4.35Å; W41-Y44 HydrophobicContact CZ2-CG 4.41Å; Y44-T51 VanDerWaalsContact O-CA 3.27Å; Y44-T51 WeakPolarHBondContact O-CA 3.28Å; Y44-S52 PolarHBondContact N-O 2.7Å; Y44-S52 PolarHBondContact O-N 2.85Å
45	I	94.9	Very high	92.9	Very high	7 Å²	7	62.7 Å²	62.7	4%	0.036	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129	161.8	-170.2	162.6	0	0	0	109.6	W28 S50 T51 I63 R65 F72	W28-I45 HydrophobicContact CB-CG2 4.09Å; W28-I45 PolarHBondContact N-O 2.91Å; W28-I45 PolarHBondContact O-N 3.48Å; I45-S50 CarbonylContact C-O 3.51Å; I45-S50 WeakPolarHBondContact CA-O 3.21Å; I45-T51 HydrophobicContact CB-CG2 4.02Å; I45-T51 HydrophobicContact CD1-CG2 3.94Å; I45-T51 HydrophobicContact CG1-CG2 3.83Å; I45-I63 HydrophobicContact CB-CG2 3.7Å; I45-I63 HydrophobicContact CG2-CG2 3.68Å; I45-R65 HydrophobicContact CD1-CB 4.03Å; I45-R65 HydrophobicContact CD1-CG 3.77Å; I45-F72 HydrophobicContact CG2-CB 4.25Å
46	S	92.4	Very high	93.1	Very high	11 Å²	11	62 Å²	62	8%	0.077	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	168.6	-180	72.6	0	0	0	0	111.9	S48 G49 S50 R65	S46-S48 PolarHBondContact O-N 3.11Å; S46-S48 PolarHBondContact OG-N 2.85Å; S46-S48 PolarHBondContact OG-OG 2.78Å; S46-G49 WeakPolarHBondContact O-CA 2.98Å; S46-G49 PolarHBondContact O-N 2.88Å; S46-G49 PolarHBondContact OG-N 2.04Å; S46-S50 WeakPolarHBondContact CB-OG 3.29Å; S46-S50 PolarHBondContact N-O 3.01Å; S46-S50 PolarHBondContact OG-N 3.43Å; S46-S50 PolarHBondContact OG-O 3.13Å; S46-S50 PolarHBondContact OG-OG 3.43Å; S46-R65 PolarHBondContact O-NH1 3.29Å
47	Y	89.4	Confident	93.2	Very high	121 Å²	121	58.7 Å²	58.7	48%	0.475	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.3	171.1	79	-87.8	0	0	0	114	S24 Y26 G49 R65	S24-Y47 WeakPolarHBondContact O-CB 3.08Å; Y26-Y47 PolarHBondContact O-N 2.9Å; Y47-G49 VanDerWaalsContact C-N 3.33Å; Y47-R65 VanDerWaalsContact O-CZ 3.32Å; Y47-R65 PolarHBondContact O-NH1 2.9Å; Y47-R65 PolarHBondContact O-NH2 3.07Å
48	S	91.2	Very high	93.5	Very high	77 Å²	77	59.5 Å²	59.5	54%	0.538	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-8.1	173.5	63.5	0	0	0	0	113	S46 R65	S46-S48 PolarHBondContact O-N 3.11Å; S46-S48 PolarHBondContact OG-N 2.85Å; S46-S48 PolarHBondContact OG-OG 2.78Å; S48-R65 VanDerWaalsContact C-NH2 3.33Å
49	G	91.7	Very high	93.6	Very high	29 Å²	29	58.1 Å²	58.1	30%	0.299	33%	0.327	S	S	.	.			trans	91.8	2.5	-178.9	0	0	0	0	0	113.8	S46 Y47	S46-G49 WeakPolarHBondContact O-CA 2.98Å; S46-G49 PolarHBondContact O-N 2.88Å; S46-G49 PolarHBondContact OG-N 2.04Å; Y47-G49 VanDerWaalsContact C-N 3.33Å
50	S	93.1	Very high	93.6	Very high	58 Å²	58	56.2 Å²	56.2	41%	0.406	31%	0.313	S	S	.	.			trans	-67.3	136.8	173.1	65.9	0	0	0	0	110.9	I45 S46	I45-S50 CarbonylContact C-O 3.51Å; I45-S50 WeakPolarHBondContact CA-O 3.21Å; S46-S50 WeakPolarHBondContact CB-OG 3.29Å; S46-S50 PolarHBondContact N-O 3.01Å; S46-S50 PolarHBondContact OG-N 3.43Å; S46-S50 PolarHBondContact OG-O 3.13Å; S46-S50 PolarHBondContact OG-OG 3.43Å
51	T	95.3	Very high	93.7	Very high	60 Å²	60	54.7 Å²	54.7	37%	0.368	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	148.3	-179.1	52.5	0	0	0	0	111.6	Y44 I45 Y53	Y44-T51 VanDerWaalsContact O-CA 3.27Å; Y44-T51 WeakPolarHBondContact O-CA 3.28Å; I45-T51 HydrophobicContact CB-CG2 4.02Å; I45-T51 HydrophobicContact CD1-CG2 3.94Å; I45-T51 HydrophobicContact CG1-CG2 3.83Å; T51-Y53 PolarHBondContact OG1-OH 3.03Å
52	S	94.9	Very high	93.7	Very high	44 Å²	44	53.4 Å²	53.4	31%	0.308	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	147.4	168.4	-173.6	0	0	0	0	108.9	G43 Y44	G43-S52 CarbonylContact C-O 3.57Å; G43-S52 WeakPolarHBondContact CA-O 3.39Å; Y44-S52 PolarHBondContact N-O 2.7Å; Y44-S52 PolarHBondContact O-N 2.85Å
53	Y	95.8	Very high	93.8	Very high	50 Å²	50	53.6 Å²	53.6	20%	0.196	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	149.1	-171.6	-58	-72.7	0	0	0	110.1	T51 P55 K58 I61 I63	T51-Y53 PolarHBondContact OG1-OH 3.03Å; Y53-P55 WeakPolarHBondContact O-CD 3.46Å; Y53-K58 HydrophobicContact CD2-CG 4.19Å; Y53-K58 HydrophobicContact CG-CG 4.36Å; Y53-I61 HydrophobicContact CD1-CD1 3.55Å; Y53-I61 HydrophobicContact CD1-CG1 3.57Å; Y53-I61 HydrophobicContact CE1-CD1 4.4Å; Y53-I61 HydrophobicContact CE1-CG1 4.1Å; Y53-I61 HydrophobicContact CG-CD1 4.3Å; Y53-I61 HydrophobicContact CG-CG1 4.34Å; Y53-I63 HydrophobicContact CD1-CD1 4.18Å; Y53-I63 HydrophobicContact CE1-CB 4.16Å; Y53-I63 HydrophobicContact CE1-CD1 3.99Å; Y53-I63 HydrophobicContact CE1-CG1 3.92Å; Y53-I63 PolarHBondContact OH-N 3.33Å
54	N	95.1	Very high	93.8	Very high	25 Å²	25	57 Å²	57	13%	0.134	33%	0.33	C	S	.	.			trans	-62.7	125.1	164.9	-176.4	-31.6	0	0	0	108.8	W41 M42 S56 L57 K58	W41-N54 HydrophobicContact CE3-CB 4.01Å; W41-N54 HydrophobicContact CZ3-CB 4.09Å; W41-N54 VanDerWaalsContact O-CB 3.3Å; W41-N54 WeakPolarHBondContact O-CB 3.43Å; W41-N54 PolarHBondContact O-ND2 2.92Å; M42-N54 WeakPolarHBondContact O-CB 3.43Å; M42-N54 PolarHBondContact O-N 2.89Å; N54-S56 PolarHBondContact O-N 2.83Å; N54-S56 VanDerWaalsContact O-N 3.11Å; N54-S56 PolarHBondContact OD1-N 2.78Å; N54-L57 HydrophobicContact CB-CB 4.42Å; N54-L57 HydrophobicContact CB-CD1 4.36Å; N54-L57 PolarHBondContact O-N 2.87Å; N54-K58 PolarHBondContact O-N 2.93Å
55	P	94.3	Very high	93.8	Very high	115 Å²	115	57.4 Å²	57.4	75%	0.747	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-37.1	-178.6	-29	35.7	0	0	0	113.8	Y53 L57	Y53-P55 WeakPolarHBondContact O-CD 3.46Å; P55-L57 PolarHBondContact O-N 2.9Å
56	S	91.6	Very high	93.8	Very high	93 Å²	93	58.9 Å²	58.9	65%	0.65	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-19.3	179.8	-57.6	0	0	0	0	113.8	N54	N54-S56 PolarHBondContact O-N 2.83Å; N54-S56 VanDerWaalsContact O-N 3.11Å; N54-S56 PolarHBondContact OD1-N 2.78Å
57	L	92.6	Very high	93.8	Very high	4 Å²	4	62.2 Å²	62.2	2%	0.021	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-12.1	-175.7	-63.8	174.1	0	0	0	113.4	M42 N54 P55 S59 R60 I61	M42-L57 HydrophobicContact CB-CD1 4.11Å; M42-L57 HydrophobicContact CE-CD1 4.02Å; M42-L57 HydrophobicContact CG-CD1 3.92Å; N54-L57 HydrophobicContact CB-CB 4.42Å; N54-L57 HydrophobicContact CB-CD1 4.36Å; N54-L57 PolarHBondContact O-N 2.87Å; P55-L57 PolarHBondContact O-N 2.9Å; L57-S59 PolarHBondContact O-N 2.82Å; L57-R60 PolarHBondContact O-N 3.08Å; L57-I61 HydrophobicContact CB-CD1 3.79Å; L57-I61 HydrophobicContact CB-CG1 4.24Å; L57-I61 HydrophobicContact CB-CG2 4.08Å; L57-I61 WeakPolarHBondContact O-CG1 3.37Å; L57-I61 PolarHBondContact O-N 3.22Å
58	K	92.1	Very high	93.9	Very high	141 Å²	141	61.2 Å²	61.2	61%	0.613	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-30.7	-170.9	-173.6	176.9	-179.8	-176.6	0	114.7	Y53 N54	Y53-K58 HydrophobicContact CD2-CG 4.19Å; Y53-K58 HydrophobicContact CG-CG 4.36Å; N54-K58 PolarHBondContact O-N 2.93Å
59	S	93.7	Very high	94.1	Very high	112 Å²	112	63.7 Å²	63.7	78%	0.783	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-20.2	178.1	57.4	0	0	0	0	113.9	L57	L57-S59 PolarHBondContact O-N 2.82Å
60	R	94.2	Very high	94.2	Very high	53 Å²	53	63.9 Å²	63.9	20%	0.2	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-20.1	-173.9	-58	-163.2	-61.4	134.4	-0.1	113.4	L57 L76 N77 S78 D83	L57-R60 PolarHBondContact O-N 3.08Å; R60-L76 HydrophobicContact CB-CD1 4.02Å; R60-N77 PolarHBondContact O-N 2.81Å; R60-S78 PolarHBondContact NH1-O 2.87Å; R60-D83 IonicContact CZ-OD1 2.85Å; R60-D83 IonicContact CZ-OD2 3.6Å; R60-D83 IonicContact NH1-OD1 3.95Å; R60-D83 PolarHBondContact NH1-OD1 2.73Å; R60-D83 IonicContact NH1-OD2 2.7Å; R60-D83 PolarHBondContact NH1-OD2 2.79Å; R60-D83 IonicContact NH2-OD1 3.48Å; R60-D83 PolarHBondContact NH2-OD1 2.96Å; R60-D83 IonicContact NH2-OD2 2.73Å
61	I	95.1	Very high	94.3	Very high	11 Å²	11	63 Å²	63	6%	0.056	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	147.3	-175.1	69.5	-179.5	0	0	0	113.2	M42 Y53 L57 L74 Q75 L76	M42-I61 HydrophobicContact CB-CD1 4.32Å; M42-I61 HydrophobicContact CE-CG2 4Å; M42-I61 WeakPolarHBondContact O-CD1 3.34Å; Y53-I61 HydrophobicContact CD1-CD1 3.55Å; Y53-I61 HydrophobicContact CD1-CG1 3.57Å; Y53-I61 HydrophobicContact CE1-CD1 4.4Å; Y53-I61 HydrophobicContact CE1-CG1 4.1Å; Y53-I61 HydrophobicContact CG-CD1 4.3Å; Y53-I61 HydrophobicContact CG-CG1 4.34Å; L57-I61 HydrophobicContact CB-CD1 3.79Å; L57-I61 HydrophobicContact CB-CG1 4.24Å; L57-I61 HydrophobicContact CB-CG2 4.08Å; L57-I61 WeakPolarHBondContact O-CG1 3.37Å; L57-I61 PolarHBondContact O-N 3.22Å; I61-L74 HydrophobicContact CB-CD1 4.07Å; I61-L74 HydrophobicContact CG2-CD1 4.33Å; I61-Q75 CarbonylContact C-O 3.57Å; I61-Q75 VanDerWaalsContact CA-O 3.23Å; I61-Q75 WeakPolarHBondContact CA-O 3.16Å; I61-L76 HydrophobicContact CG2-CD1 3.53Å
62	S	95.8	Very high	94.2	Very high	47 Å²	47	60.2 Å²	60.2	33%	0.329	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	133.3	167.6	178.3	0	0	0	0	109.3	Q75	S62-Q75 PolarHBondContact N-O 2.83Å; S62-Q75 PolarHBondContact O-N 2.88Å
63	I	96.1	Very high	94.2	Very high	5 Å²	5	60.2 Å²	60.2	3%	0.026	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.3	178.5	-61.2	168.3	0	0	0	108.4	G43 I45 Y53 F73 L74	G43-I63 VanDerWaalsContact C-CD1 3.42Å; I45-I63 HydrophobicContact CB-CG2 3.7Å; I45-I63 HydrophobicContact CG2-CG2 3.68Å; Y53-I63 HydrophobicContact CD1-CD1 4.18Å; Y53-I63 HydrophobicContact CE1-CB 4.16Å; Y53-I63 HydrophobicContact CE1-CD1 3.99Å; Y53-I63 HydrophobicContact CE1-CG1 3.92Å; Y53-I63 PolarHBondContact OH-N 3.33Å; I63-F73 VanDerWaalsContact CA-O 3.32Å; I63-F73 WeakPolarHBondContact CA-O 3.4Å; I63-L74 HydrophobicContact CD1-CD1 4.34Å; I63-L74 HydrophobicContact CG1-CD1 3.69Å
64	T	95.5	Very high	94.2	Very high	70 Å²	70	57.9 Å²	57.9	43%	0.429	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	170.2	-178.9	63.7	0	0	0	0	111	F72 F73	T64-F72 CarbonylContact O-C 3.55Å; T64-F72 VanDerWaalsContact O-CA 3.31Å; T64-F72 WeakPolarHBondContact O-CA 3.42Å; T64-F72 WeakPolarHBondContact O-CB 3.01Å; T64-F73 PolarHBondContact N-O 2.85Å; T64-F73 VanDerWaalsContact N-O 3.09Å; T64-F73 PolarHBondContact O-N 3.35Å
65	R	94.6	Very high	94.2	Very high	72 Å²	72	59.3 Å²	59.3	27%	0.272	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	150.5	177.6	67.7	-179.2	-175.9	169	3.1	112.5	I22 I45 S46 Y47 S48 Q71 F72	I22-R65 HydrophobicContact CD1-CB 3.98Å; I45-R65 HydrophobicContact CD1-CB 4.03Å; I45-R65 HydrophobicContact CD1-CG 3.77Å; S46-R65 PolarHBondContact O-NH1 3.29Å; Y47-R65 VanDerWaalsContact O-CZ 3.32Å; Y47-R65 PolarHBondContact O-NH1 2.9Å; Y47-R65 PolarHBondContact O-NH2 3.07Å; S48-R65 VanDerWaalsContact C-NH2 3.33Å; R65-Q71 CarbonylContact C-O 3.51Å; R65-Q71 WeakPolarHBondContact CA-O 3.05Å; R65-F72 HydrophobicContact CB-CB 4.11Å
66	D	94.6	Very high	94.2	Very high	39 Å²	39	53.9 Å²	53.9	21%	0.209	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	103	169.3	-176.6	-15.3	0	0	0	108.2	S68 K69 N70 Q71 F73	D66-S68 VanDerWaalsContact C-N 3.28Å; D66-S68 PolarHBondContact O-N 3.05Å; D66-S68 WeakPolarHBondContact OD1-CB 3.43Å; D66-S68 PolarHBondContact OD1-N 3.1Å; D66-S68 PolarHBondContact OD1-OG 3.07Å; D66-K69 HydrophobicContact CB-CB 4.4Å; D66-K69 PolarHBondContact O-N 3.11Å; D66-K69 PolarHBondContact OD1-N 3.3Å; D66-K69 WeakPolarHBondContact OD2-CD 3.41Å; D66-K69 WeakPolarHBondContact OD2-CE 3.49Å; D66-K69 WeakPolarHBondContact OD2-CG 3.48Å; D66-K69 IonicContact OD2-NZ 2.69Å; D66-N70 PolarHBondContact O-N 3.05Å; D66-Q71 PolarHBondContact N-O 2.85Å; D66-Q71 PolarHBondContact O-N 3.43Å; D66-F73 HydrophobicContact CB-CE2 3.75Å; D66-F73 HydrophobicContact CB-CZ 4.23Å
67	T	92.8	Very high	94.2	Very high	80 Å²	80	52.3 Å²	52.3	49%	0.491	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-23.8	-178.6	54.7	0	0	0	0	112.5	I22 T23 K69	I22-T67 HydrophobicContact CD1-CG2 4.15Å; I22-T67 HydrophobicContact CG1-CG2 4.31Å; T23-T67 HydrophobicContact CG2-CG2 3.44Å; T23-T67 VanDerWaalsContact CG2-CG2 3.44Å; T67-K69 VanDerWaalsContact C-N 3.31Å
68	S	93.1	Very high	94.1	Very high	101 Å²	101	55.6 Å²	55.6	71%	0.706	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-31.4	176.8	75.4	0	0	0	0	111.9	D66	D66-S68 VanDerWaalsContact C-N 3.28Å; D66-S68 PolarHBondContact O-N 3.05Å; D66-S68 WeakPolarHBondContact OD1-CB 3.43Å; D66-S68 PolarHBondContact OD1-N 3.1Å; D66-S68 PolarHBondContact OD1-OG 3.07Å
69	K	94.1	Very high	94	Very high	128 Å²	128	49 Å²	49	56%	0.557	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-2.6	179.1	-62.3	-177.7	-168.8	165.5	0	113.9	D66 T67 Q71	D66-K69 HydrophobicContact CB-CB 4.4Å; D66-K69 PolarHBondContact O-N 3.11Å; D66-K69 PolarHBondContact OD1-N 3.3Å; D66-K69 WeakPolarHBondContact OD2-CD 3.41Å; D66-K69 WeakPolarHBondContact OD2-CE 3.49Å; D66-K69 WeakPolarHBondContact OD2-CG 3.48Å; D66-K69 IonicContact OD2-NZ 2.69Å; T67-K69 VanDerWaalsContact C-N 3.31Å; K69-Q71 VanDerWaalsContact C-N 3.25Å; K69-Q71 HydrophobicContact CB-CB 4.3Å; K69-Q71 HydrophobicContact CB-CG 4.14Å; K69-Q71 PolarHBondContact O-N 2.98Å
70	N	93.7	Very high	93.8	Very high	34 Å²	34	46.1 Å²	46.1	18%	0.182	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	41.6	-174.9	-156.1	41.5	0	0	0	112.8	V17 Y20 S21 I22 D66	V17-N70 PolarHBondContact N-O 2.86Å; V17-N70 PolarHBondContact O-ND2 3.06Å; Y20-N70 PolarHBondContact O-ND2 2.85Å; S21-N70 WeakPolarHBondContact CA-OD1 3.38Å; I22-N70 WeakPolarHBondContact CG2-OD1 3.38Å; I22-N70 PolarHBondContact N-OD1 3.06Å; D66-N70 PolarHBondContact O-N 3.05Å
71	Q	94.9	Very high	93.5	Very high	40 Å²	40	47.5 Å²	47.5	19%	0.187	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	150	-175	-76.7	172.8	-13.5	0	0	111.8	T14 C15 T16 I22 R65 D66 K69 F73	T14-Q71 HydrophobicContact CG2-CB 4.39Å; T14-Q71 HydrophobicContact CG2-CG 4.15Å; C15-Q71 WeakPolarHBondContact O-CA 3.4Å; T16-Q71 HydrophobicContact CG2-CG 4.13Å; T16-Q71 PolarHBondContact OG1-NE2 3.21Å; I22-Q71 VanDerWaalsContact CD1-O 3.25Å; I22-Q71 WeakPolarHBondContact CD1-O 3.3Å; R65-Q71 CarbonylContact C-O 3.51Å; R65-Q71 WeakPolarHBondContact CA-O 3.05Å; D66-Q71 PolarHBondContact N-O 2.85Å; D66-Q71 PolarHBondContact O-N 3.43Å; K69-Q71 VanDerWaalsContact C-N 3.25Å; K69-Q71 HydrophobicContact CB-CB 4.3Å; K69-Q71 HydrophobicContact CB-CG 4.14Å; K69-Q71 PolarHBondContact O-N 2.98Å; Q71-F73 HydrophobicContact CB-CE1 4.32Å; Q71-F73 HydrophobicContact CB-CE2 4.03Å; Q71-F73 HydrophobicContact CB-CZ 3.66Å
72	F	94.6	Very high	93.1	Very high	1 Å²	1	54.2 Å²	54.2	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	151	166.5	66.1	-81.2	0	0	0	110.8	C15 V17 I22 W28 W30 I45 T64 R65 C89	C15-F72 HydrophobicContact CB-CD1 4.01Å; C15-F72 HydrophobicContact CB-CD2 4.29Å; C15-F72 HydrophobicContact CB-CE1 3.6Å; C15-F72 HydrophobicContact CB-CE2 3.9Å; C15-F72 HydrophobicContact CB-CG 4.36Å; C15-F72 HydrophobicContact CB-CZ 3.58Å; C15-F72 PolarHBondContact N-O 3.02Å; C15-F72 PolarHBondContact O-N 2.85Å; C15-F72 WeakPolarHBondContact SG-CE1 3.28Å; C15-F72 WeakPolarHBondContact SG-CZ 3.23Å; V17-F72 HydrophobicContact CG2-CD1 4.1Å; V17-F72 HydrophobicContact CG2-CE1 3.7Å; I22-F72 HydrophobicContact CG2-CD1 4.31Å; W28-F72 HydrophobicContact CB-CD1 4.02Å; W28-F72 HydrophobicContact CB-CD2 4.02Å; W28-F72 HydrophobicContact CB-CE1 3.8Å; W28-F72 HydrophobicContact CB-CE2 3.82Å; W28-F72 HydrophobicContact CB-CG 4.09Å; W28-F72 HydrophobicContact CB-CZ 3.66Å; W28-F72 HydrophobicContact CD2-CD1 4.48Å; W28-F72 HydrophobicContact CD2-CE1 4.05Å; W28-F72 AromaticContact CE3-CE1 3.78Å; W28-F72 HydrophobicContact CE3-CE1 3.78Å; W28-F72 HydrophobicContact CE3-CZ 4.18Å; W28-F72 HydrophobicContact CG-CD1 4.21Å; W28-F72 HydrophobicContact CG-CE1 4.07Å; W28-F72 HydrophobicContact CG-CZ 4.37Å; W30-F72 HydrophobicContact CD2-CE2 4.42Å; W30-F72 AromaticContact CE2-CD2 3.87Å; W30-F72 AromaticContact CE2-CE2 3.75Å; W30-F72 HydrophobicContact CZ2-CD2 4.18Å; W30-F72 HydrophobicContact CZ2-CE2 4.13Å; W30-F72 AromaticContact NE1-CD2 3.32Å; W30-F72 VanDerWaalsContact NE1-CD2 3.32Å; W30-F72 AromaticContact NE1-CE2 3.48Å; I45-F72 HydrophobicContact CG2-CB 4.25Å; T64-F72 CarbonylContact O-C 3.55Å; T64-F72 VanDerWaalsContact O-CA 3.31Å; T64-F72 WeakPolarHBondContact O-CA 3.42Å; T64-F72 WeakPolarHBondContact O-CB 3.01Å; R65-F72 HydrophobicContact CB-CB 4.11Å; F72-C89 HydrophobicContact CE2-CB 3.87Å; F72-C89 HydrophobicContact CZ-CB 3.54Å
73	F	95.3	Very high	92.9	Very high	43 Å²	43	52 Å²	52	19%	0.189	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	147.9	-165.3	-49	-90.6	0	0	0	110.8	L13 T14 I63 T64 D66 Q71	L13-F73 CarbonylContact O-C 3.5Å; L13-F73 WeakPolarHBondContact O-CA 3.46Å; T14-F73 HydrophobicContact CG2-CD1 3.84Å; T14-F73 HydrophobicContact CG2-CE1 3.47Å; T14-F73 VanDerWaalsContact CG2-CE1 3.47Å; T14-F73 HydrophobicContact CG2-CZ 4.35Å; T14-F73 VanDerWaalsContact OG1-CD1 3.3Å; T14-F73 WeakPolarHBondContact OG1-CD1 3.5Å; T14-F73 WeakPolarHBondContact OG1-CE1 3.47Å; I63-F73 VanDerWaalsContact CA-O 3.32Å; I63-F73 WeakPolarHBondContact CA-O 3.4Å; T64-F73 PolarHBondContact N-O 2.85Å; T64-F73 VanDerWaalsContact N-O 3.09Å; T64-F73 PolarHBondContact O-N 3.35Å; D66-F73 HydrophobicContact CB-CE2 3.75Å; D66-F73 HydrophobicContact CB-CZ 4.23Å; Q71-F73 HydrophobicContact CB-CE1 4.32Å; Q71-F73 HydrophobicContact CB-CE2 4.03Å; Q71-F73 HydrophobicContact CB-CZ 3.66Å
74	L	95.8	Very high	92.6	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	117.9	166.9	176.5	71.1	0	0	0	108.4	S12 L13 W30 M42 I61 I63 Y87	S12-L74 CarbonylContact C-O 3.5Å; S12-L74 WeakPolarHBondContact CA-O 3.47Å; L13-L74 HydrophobicContact CB-CB 4.36Å; L13-L74 HydrophobicContact CD1-CD2 4.25Å; L13-L74 PolarHBondContact N-O 2.94Å; L13-L74 PolarHBondContact O-N 2.78Å; W30-L74 HydrophobicContact CB-CD2 4.12Å; W30-L74 HydrophobicContact CD2-CB 3.67Å; W30-L74 HydrophobicContact CD2-CD2 4.04Å; W30-L74 HydrophobicContact CD2-CG 4.42Å; W30-L74 VanDerWaalsContact CE2-CB 3.48Å; W30-L74 HydrophobicContact CE3-CB 4.3Å; W30-L74 HydrophobicContact CE3-CD2 4.19Å; W30-L74 HydrophobicContact CG-CB 3.86Å; W30-L74 HydrophobicContact CG-CD1 4.35Å; W30-L74 HydrophobicContact CG-CD2 4.02Å; W30-L74 HydrophobicContact CG-CG 4.31Å; W30-L74 HydrophobicContact CZ2-CB 3.96Å; M42-L74 HydrophobicContact CE-CD2 3.74Å; M42-L74 HydrophobicContact SD-CD2 3.67Å; I61-L74 HydrophobicContact CB-CD1 4.07Å; I61-L74 HydrophobicContact CG2-CD1 4.33Å; I63-L74 HydrophobicContact CD1-CD1 4.34Å; I63-L74 HydrophobicContact CG1-CD1 3.69Å; L74-Y87 HydrophobicContact CD2-CD1 4.17Å; L74-Y87 HydrophobicContact CD2-CE1 4.35Å
75	Q	94.7	Very high	92.5	Very high	56 Å²	56	50.1 Å²	50.1	26%	0.262	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.8	166.6	-168.2	64.4	44.9	0	0	108.3	L11 S12 I61 S62	L11-Q75 CarbonylContact O-C 3.58Å; L11-Q75 WeakPolarHBondContact O-CA 3.43Å; L11-Q75 PolarHBondContact O-NE2 2.81Å; S12-Q75 PolarHBondContact OG-OE1 3.36Å; I61-Q75 CarbonylContact C-O 3.57Å; I61-Q75 VanDerWaalsContact CA-O 3.23Å; I61-Q75 WeakPolarHBondContact CA-O 3.16Å; S62-Q75 PolarHBondContact N-O 2.83Å; S62-Q75 PolarHBondContact O-N 2.88Å
76	L	93.6	Very high	92.5	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	118.3	172	176	63.9	0	0	0	108.4	S10 L11 R60 I61 V79 D83 Y87	S10-L76 CarbonylContact C-O 3.56Å; S10-L76 WeakPolarHBondContact CA-O 3.42Å; L11-L76 PolarHBondContact N-O 3.19Å; L11-L76 PolarHBondContact O-N 3.09Å; R60-L76 HydrophobicContact CB-CD1 4.02Å; I61-L76 HydrophobicContact CG2-CD1 3.53Å; L76-V79 HydrophobicContact CB-CG1 4.49Å; L76-V79 HydrophobicContact CD2-CG1 3.84Å; L76-V79 HydrophobicContact CG-CG1 3.86Å; L76-D83 HydrophobicContact CD2-CB 4.06Å; L76-Y87 HydrophobicContact CD2-CE1 4.47Å; L76-Y87 WeakPolarHBondContact CD2-OH 3.34Å
77	N	92.4	Very high	92.4	Very high	60 Å²	60	46.1 Å²	46.1	32%	0.321	26%	0.255	S	S	.	.			trans	-96.7	152.5	-179.1	-63.2	-43.8	0	0	0	111.3	S10 R60	S10-N77 WeakPolarHBondContact CB-OD1 3.42Å; S10-N77 PolarHBondContact OG-OD1 2.82Å; R60-N77 PolarHBondContact O-N 2.81Å
78	S	89.6	Confident	92.5	Very high	72 Å²	72	44.4 Å²	44.4	50%	0.503	24%	0.24	S	C	.	.	S	Bend	trans	52.8	57.6	177.4	-53.2	0	0	0	0	111.4	Q9 R60	Q9-S78 PolarHBondContact O-N 3.04Å; R60-S78 PolarHBondContact NH1-O 2.87Å
79	V	90.3	Very high	92.5	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.012	21%	0.212	C	C	.	.			trans	-63.4	141	-179.3	-66.2	0	0	0	0	111.3	V5 K6 P7 S8 Q9 L11 L76 D83 V109	V5-V79 HydrophobicContact CG1-CG2 3.8Å; K6-V79 WeakPolarHBondContact O-CG2 3.16Å; P7-V79 WeakPolarHBondContact CA-O 3.36Å; S8-V79 PolarHBondContact N-O 3.14Å; Q9-V79 HydrophobicContact CB-CG2 4.46Å; Q9-V79 WeakPolarHBondContact O-CG2 3.32Å; Q9-V79 PolarHBondContact O-N 2.78Å; Q9-V79 VanDerWaalsContact O-N 3.08Å; L11-V79 HydrophobicContact CB-CG1 3.9Å; L76-V79 HydrophobicContact CB-CG1 4.49Å; L76-V79 HydrophobicContact CD2-CG1 3.84Å; L76-V79 HydrophobicContact CG-CG1 3.86Å; V79-D83 WeakPolarHBondContact CA-OD2 3.4Å; V79-V109 HydrophobicContact CB-CG2 4.31Å; V79-V109 HydrophobicContact CG2-CG1 4.24Å; V79-V109 HydrophobicContact CG2-CG2 4.36Å
80	T	90.1	Very high	92.4	Very high	52 Å²	52	34.5 Å²	34.5	32%	0.319	19%	0.186	S	C	.	.			trans	-119.5	170	175	67.8	0	0	0	0	110.4	E82 D83 V109	T80-E82 PolarHBondContact O-N 2.84Å; T80-E82 PolarHBondContact OG1-N 2.88Å; T80-D83 PolarHBondContact N-OD2 2.73Å; T80-D83 WeakPolarHBondContact O-CB 3.23Å; T80-D83 PolarHBondContact O-N 3.07Å; T80-V109 WeakPolarHBondContact O-CB 3.33Å; T80-V109 WeakPolarHBondContact O-CG1 3.2Å
81	T	86.8	Confident	92.2	Very high	83 Å²	83	33.6 Å²	33.6	51%	0.509	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-57.1	-30.3	174.2	49.1	0	0	0	0	112.2	D83 T84	T81-D83 PolarHBondContact O-N 2.94Å; T81-T84 VanDerWaalsContact O-CB 3.25Å; T81-T84 WeakPolarHBondContact O-CB 3.41Å; T81-T84 PolarHBondContact O-N 3.37Å; T81-T84 VanDerWaalsContact O-N 3.12Å; T81-T84 PolarHBondContact O-OG1 3.03Å
82	E	87.6	Confident	91.6	Very high	151 Å²	151	35.3 Å²	35.3	71%	0.706	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-66	-18.9	175.1	-58.4	176.3	174.9	0	0	113.1	F34 T80 T84	F34-E82 VanDerWaalsContact CE1-O 3.28Å; F34-E82 WeakPolarHBondContact CE1-O 3.38Å; T80-E82 PolarHBondContact O-N 2.84Å; T80-E82 PolarHBondContact OG1-N 2.88Å; E82-T84 PolarHBondContact O-N 3.01Å
83	D	89.9	Confident	90.4	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-82.1	1.8	175.2	-61.3	-48.9	0	0	0	112.5	R32 R60 L76 V79 T80 T81 A85 Y87	R32-D83 IonicContact CZ-OD1 3.08Å; R32-D83 IonicContact NH1-OD1 3.64Å; R32-D83 PolarHBondContact NH1-OD1 3.5Å; R32-D83 IonicContact NH2-OD1 3.95Å; R60-D83 IonicContact CZ-OD1 2.85Å; R60-D83 IonicContact CZ-OD2 3.6Å; R60-D83 IonicContact NH1-OD1 3.95Å; R60-D83 PolarHBondContact NH1-OD1 2.73Å; R60-D83 IonicContact NH1-OD2 2.7Å; R60-D83 PolarHBondContact NH1-OD2 2.79Å; R60-D83 IonicContact NH2-OD1 3.48Å; R60-D83 PolarHBondContact NH2-OD1 2.96Å; R60-D83 IonicContact NH2-OD2 2.73Å; L76-D83 HydrophobicContact CD2-CB 4.06Å; V79-D83 WeakPolarHBondContact CA-OD2 3.4Å; T80-D83 PolarHBondContact N-OD2 2.73Å; T80-D83 WeakPolarHBondContact O-CB 3.23Å; T80-D83 PolarHBondContact O-N 3.07Å; T81-D83 PolarHBondContact O-N 2.94Å; D83-A85 PolarHBondContact O-N 2.59Å; D83-Y87 PolarHBondContact O-OH 3.48Å
84	T	91.1	Very high	88.7	Confident	32 Å²	32	39.8 Å²	39.8	20%	0.196	21%	0.212	C	C	.	.			trans	-64	108.6	173.2	-64.9	0	0	0	0	110.7	T81 E82 L107 T108 V109	T81-T84 VanDerWaalsContact O-CB 3.25Å; T81-T84 WeakPolarHBondContact O-CB 3.41Å; T81-T84 PolarHBondContact O-N 3.37Å; T81-T84 VanDerWaalsContact O-N 3.12Å; T81-T84 PolarHBondContact O-OG1 3.03Å; E82-T84 PolarHBondContact O-N 3.01Å; T84-L107 WeakPolarHBondContact CA-O 3.38Å; T84-T108 HydrophobicContact CG2-CG2 4.35Å; T84-V109 PolarHBondContact OG1-N 3.03Å; T84-V109 PolarHBondContact OG1-O 2.87Å
85	A	93.4	Very high	87.1	Confident	4 Å²	4	50.9 Å²	50.9	3%	0.033	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	167.6	-175.3	0	0	0	0	0	111.2	R32 Q33 F34 D83 Y87 L107	R32-A85 HydrophobicContact CB-CB 3.91Å; R32-A85 HydrophobicContact CG-CB 4.43Å; Q33-A85 CarbonylContact O-C 3.59Å; Q33-A85 WeakPolarHBondContact O-CA 3.35Å; Q33-A85 WeakPolarHBondContact O-CB 3.16Å; F34-A85 HydrophobicContact CD1-CB 4.08Å; F34-A85 HydrophobicContact CE1-CB 4.3Å; D83-A85 PolarHBondContact O-N 2.59Å; A85-Y87 HydrophobicContact CB-CD2 4.4Å; A85-Y87 HydrophobicContact CB-CE2 3.96Å; A85-Y87 WeakPolarHBondContact O-CD2 3.43Å; A85-L107 PolarHBondContact N-O 2.86Å; A85-L107 PolarHBondContact O-N 2.79Å
86	T	93.6	Very high	85.7	Confident	24 Å²	24	54 Å²	54	15%	0.147	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	122.2	163.8	-56.4	0	0	0	0	109.5	R32 Q33 Y88 T106	R32-T86 CarbonylContact C-O 3.59Å; R32-T86 WeakPolarHBondContact CA-O 3.27Å; Q33-T86 PolarHBondContact N-O 3.12Å; Q33-T86 PolarHBondContact O-N 3.03Å; T86-Y88 HydrophobicContact CG2-CD2 4.34Å; T86-Y88 HydrophobicContact CG2-CE1 3.95Å; T86-Y88 HydrophobicContact CG2-CE2 3.58Å; T86-Y88 WeakPolarHBondContact CG2-OH 3.41Å; T86-Y88 WeakPolarHBondContact O-CD2 3.32Å; T86-Y88 WeakPolarHBondContact O-CE2 3.42Å; T86-T106 PolarHBondContact OG1-OG1 3.16Å
87	Y	93.8	Very high	84.3	Confident	3 Å²	3	62.8 Å²	62.8	1%	0.012	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.1	-176.3	-70	-103.2	0	0	0	110.1	L13 R32 M42 L74 L76 D83 A85 G104 T105 L107	L13-Y87 HydrophobicContact CD1-CD1 3.53Å; L13-Y87 HydrophobicContact CD1-CD2 4.22Å; L13-Y87 HydrophobicContact CD1-CE1 4.2Å; L13-Y87 HydrophobicContact CD1-CG 3.52Å; R32-Y87 HydrophobicContact CB-CD1 3.96Å; R32-Y87 HydrophobicContact CB-CE1 4.02Å; R32-Y87 HydrophobicContact CB-CG 4.34Å; M42-Y87 HydrophobicContact CE-CE1 3.87Å; M42-Y87 HydrophobicContact SD-CD1 3.76Å; M42-Y87 HydrophobicContact SD-CE1 3.61Å; L74-Y87 HydrophobicContact CD2-CD1 4.17Å; L74-Y87 HydrophobicContact CD2-CE1 4.35Å; L76-Y87 HydrophobicContact CD2-CE1 4.47Å; L76-Y87 WeakPolarHBondContact CD2-OH 3.34Å; D83-Y87 PolarHBondContact O-OH 3.48Å; A85-Y87 HydrophobicContact CB-CD2 4.4Å; A85-Y87 HydrophobicContact CB-CE2 3.96Å; A85-Y87 WeakPolarHBondContact O-CD2 3.43Å; Y87-G104 CarbonylContact O-C 3.43Å; Y87-G104 VanDerWaalsContact O-CA 3.23Å; Y87-G104 WeakPolarHBondContact O-CA 3.46Å; Y87-T105 PolarHBondContact N-O 2.97Å; Y87-T105 PolarHBondContact O-N 2.58Å; Y87-L107 HydrophobicContact CD2-CB 4.15Å; Y87-L107 HydrophobicContact CD2-CD1 3.43Å; Y87-L107 VanDerWaalsContact CD2-CD1 3.43Å; Y87-L107 HydrophobicContact CD2-CG 3.97Å; Y87-L107 HydrophobicContact CE2-CB 3.99Å; Y87-L107 HydrophobicContact CE2-CD1 3.59Å; Y87-L107 HydrophobicContact CE2-CG 4.22Å; Y87-L107 HydrophobicContact CG-CD1 4.12Å
88	Y	93.6	Very high	83.2	Confident	44 Å²	44	63 Å²	63	17%	0.173	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	144.4	179.7	-59.1	-85.9	0	0	0	110.1	I31 Q33 T86 W101	I31-Y88 PolarHBondContact N-O 3.04Å; I31-Y88 PolarHBondContact O-N 2.82Å; Q33-Y88 HydrophobicContact CB-CD2 4.27Å; Q33-Y88 HydrophobicContact CB-CE2 3.6Å; Q33-Y88 PolarHBondContact OE1-OH 2.81Å; T86-Y88 HydrophobicContact CG2-CD2 4.34Å; T86-Y88 HydrophobicContact CG2-CE1 3.95Å; T86-Y88 HydrophobicContact CG2-CE2 3.58Å; T86-Y88 WeakPolarHBondContact CG2-OH 3.41Å; T86-Y88 WeakPolarHBondContact O-CD2 3.32Å; T86-Y88 WeakPolarHBondContact O-CE2 3.42Å; Y88-W101 HydrophobicContact CD1-CE3 4.35Å; Y88-W101 HydrophobicContact CD2-CZ3 4.38Å; Y88-W101 HydrophobicContact CG-CE3 4Å; Y88-W101 HydrophobicContact CG-CZ3 4.17Å
89	C	92.9	Very high	82.4	Confident	18 Å²	18	63 Å²	63	12%	0.122	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	138.4	164.2	62.2	0	0	0	0	109.6	C15 N29 W30 F72 G102	C15-C89 HydrophobicContact CB-CB 3.4Å; C15-C89 WeakPolarHBondContact CB-SG 3.25Å; C15-C89 WeakPolarHBondContact SG-CB 3.45Å; C15-C89 CovalentContact SG-SG 2.04Å; C15-C89 PolarHBondContact SG-SG 2.66Å; N29-C89 CarbonylContact O-C 3.58Å; N29-C89 VanDerWaalsContact O-CA 3.29Å; N29-C89 WeakPolarHBondContact O-CA 3.3Å; W30-C89 HydrophobicContact CE3-CB 4.26Å; W30-C89 HydrophobicContact CH2-CB 4.24Å; W30-C89 HydrophobicContact CZ2-CB 4.5Å; W30-C89 HydrophobicContact CZ3-CB 4.11Å; F72-C89 HydrophobicContact CE2-CB 3.87Å; F72-C89 HydrophobicContact CZ-CB 3.54Å; C89-G102 PolarHBondContact O-N 3.28Å
90	A	91.8	Very high	81.8	Confident	2 Å²	2	69.4 Å²	69.4	2%	0.017	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	142.8	-175.4	0	0	0	0	0	112.4	N29 I31 F98 Y100 W101	N29-A90 PolarHBondContact N-O 3.24Å; N29-A90 PolarHBondContact O-N 3.32Å; I31-A90 HydrophobicContact CD1-CB 4.01Å; A90-F98 HydrophobicContact CB-CD1 3.76Å; A90-F98 HydrophobicContact CB-CE1 4.3Å; A90-F98 HydrophobicContact CB-CG 4.44Å; A90-Y100 CarbonylContact C-O 3.5Å; A90-Y100 WeakPolarHBondContact CA-O 3.05Å; A90-W101 HydrophobicContact CB-CD2 4.04Å; A90-W101 HydrophobicContact CB-CE3 4.37Å; A90-W101 HydrophobicContact CB-CG 4.3Å
91	R	89.7	Confident	81.5	Confident	16 Å²	16	72.2 Å²	72.2	6%	0.06	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	130.9	173.2	-168.3	-176.1	77.1	-179.1	7.9	109.7	Y26 W28 F98 D99 Y100	Y26-R91 HydrophobicContact CD1-CG 4.34Å; Y26-R91 HydrophobicContact CD2-CG 4.35Å; Y26-R91 HydrophobicContact CG-CG 3.94Å; W28-R91 HydrophobicContact CE3-CB 4.02Å; W28-R91 HydrophobicContact CE3-CG 4.07Å; W28-R91 HydrophobicContact CH2-CB 4.24Å; W28-R91 HydrophobicContact CH2-CG 3.71Å; W28-R91 HydrophobicContact CZ2-CG 4.31Å; W28-R91 HydrophobicContact CZ3-CB 3.61Å; W28-R91 HydrophobicContact CZ3-CG 3.57Å; R91-F98 CarbonylContact O-C 3.5Å; R91-F98 VanDerWaalsContact O-CA 3.3Å; R91-F98 WeakPolarHBondContact O-CA 3.31Å; R91-D99 IonicContact NH2-OD2 3.68Å; R91-D99 PolarHBondContact O-N 3.35Å; R91-Y100 PolarHBondContact N-O 3.39Å
92	R	82.7	Confident	81.3	Confident	76 Å²	76	69.6 Å²	69.6	29%	0.287	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.9	173.3	179.4	173.2	167.2	172.4	2.6	110.9	A27 N29 R97 F98	A27-R92 HydrophobicContact CB-CB 4.38Å; A27-R92 PolarHBondContact N-O 2.9Å; A27-R92 VanDerWaalsContact N-O 3.14Å; A27-R92 PolarHBondContact O-N 3.05Å; N29-R92 WeakPolarHBondContact ND2-CB 3.39Å; R92-R97 WeakPolarHBondContact CA-O 3.39Å; R92-F98 HydrophobicContact CB-CD1 3.95Å; R92-F98 HydrophobicContact CB-CE1 3.88Å; R92-F98 HydrophobicContact CG-CE1 4.46Å
93	G	70.2	Confident	81.1	Confident	9 Å²	9	71.5 Å²	71.5	9%	0.093	33%	0.326	C	S	.	.			trans	-74.9	168.9	174.9	0	0	0	0	0	114.1	W95 L96 R97	G93-W95 PolarHBondContact O-N 2.97Å; G93-W95 VanDerWaalsContact O-N 3.1Å; G93-L96 PolarHBondContact O-N 2.83Å; G93-L96 VanDerWaalsContact O-N 3.07Å; G93-R97 PolarHBondContact N-O 3.05Å
94	L	60	Low	80.6	Confident	128 Å²	128	72.7 Å²	72.7	67%	0.67	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-24.7	173.5	-71.9	164.6	0	0	0	113.2	L96	L94-L96 VanDerWaalsContact C-N 3.32Å; L94-L96 PolarHBondContact O-N 2.68Å
95	W	61.9	Low	80.3	Confident	235 Å²	235	73.4 Å²	73.4	89%	0.89	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	19.2	178.8	-56.8	105.4	0	0	0	114.5	G93 R97	G93-W95 PolarHBondContact O-N 2.97Å; G93-W95 VanDerWaalsContact O-N 3.1Å; W95-R97 PolarHBondContact O-N 3.37Å
96	L	64.1	Low	79.9	Confident	120 Å²	120	77.4 Å²	77.4	63%	0.628	37%	0.367	S	S	*	.	S	Bend	trans	62.4	6.3	178.6	-40.3	177	0	0	0	115.8	G93 L94	G93-L96 PolarHBondContact O-N 2.83Å; G93-L96 VanDerWaalsContact O-N 3.07Å; L94-L96 VanDerWaalsContact C-N 3.32Å; L94-L96 PolarHBondContact O-N 2.68Å
97	R	63.8	Low	79.2	Confident	187 Å²	187	76.5 Å²	76.5	71%	0.706	36%	0.361	S	S	*	.			trans	-88	143	176.6	-164.9	173.9	-177	-176	-0.5	111	R92 G93 W95 D99	R92-R97 WeakPolarHBondContact CA-O 3.39Å; G93-R97 PolarHBondContact N-O 3.05Å; W95-R97 PolarHBondContact O-N 3.37Å; R97-D99 PolarHBondContact O-N 3.04Å
98	F	70.5	Confident	78.5	Confident	64 Å²	64	79.6 Å²	79.6	28%	0.281	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	103.7	168.5	-67.4	-70.3	0	0	0	109.1	N29 I31 A90 R91 R92 W101	N29-F98 HydrophobicContact CB-CE1 3.73Å; N29-F98 HydrophobicContact CB-CZ 4.44Å; N29-F98 VanDerWaalsContact CG-CE1 3.45Å; I31-F98 HydrophobicContact CD1-CD1 4.48Å; I31-F98 HydrophobicContact CD1-CE1 4.15Å; I31-F98 HydrophobicContact CD1-CE2 4.29Å; I31-F98 HydrophobicContact CD1-CZ 4.05Å; A90-F98 HydrophobicContact CB-CD1 3.76Å; A90-F98 HydrophobicContact CB-CE1 4.3Å; A90-F98 HydrophobicContact CB-CG 4.44Å; R91-F98 CarbonylContact O-C 3.5Å; R91-F98 VanDerWaalsContact O-CA 3.3Å; R91-F98 WeakPolarHBondContact O-CA 3.31Å; R92-F98 HydrophobicContact CB-CD1 3.95Å; R92-F98 HydrophobicContact CB-CE1 3.88Å; R92-F98 HydrophobicContact CG-CE1 4.46Å; F98-W101 HydrophobicContact CB-CZ2 4.24Å; F98-W101 HydrophobicContact CD2-CZ2 4.36Å; F98-W101 HydrophobicContact CG-CZ2 4.32Å
99	D	71.9	Confident	77.4	Confident	71 Å²	71	78 Å²	78	38%	0.38	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-26.1	-171.1	-55.2	-37.6	0	0	0	112.2	R91 R97	R91-D99 IonicContact NH2-OD2 3.68Å; R91-D99 PolarHBondContact O-N 3.35Å; R97-D99 PolarHBondContact O-N 3.04Å
100	Y	78.6	Confident	76.2	Confident	138 Å²	138	79.2 Å²	79.2	54%	0.541	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	137.1	-179.1	-73.5	-92.9	0	0	0	110.9	A90 R91	A90-Y100 CarbonylContact C-O 3.5Å; A90-Y100 WeakPolarHBondContact CA-O 3.05Å; R91-Y100 PolarHBondContact N-O 3.39Å
101	W	84.6	Confident	74.6	Confident	111 Å²	111	86.6 Å²	86.6	42%	0.42	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.4	175.1	-69.5	68.4	0	0	0	109.1	I31 L39 Y88 A90 F98	I31-W101 HydrophobicContact CB-CH2 4.33Å; I31-W101 HydrophobicContact CB-CZ3 4.12Å; I31-W101 HydrophobicContact CD1-CH2 3.28Å; I31-W101 HydrophobicContact CD1-CZ2 3.78Å; I31-W101 HydrophobicContact CD1-CZ3 3.72Å; I31-W101 HydrophobicContact CG1-CH2 4.37Å; I31-W101 HydrophobicContact CG2-CH2 4.04Å; I31-W101 HydrophobicContact CG2-CZ3 4.06Å; L39-W101 HydrophobicContact CD1-CH2 4.44Å; Y88-W101 HydrophobicContact CD1-CE3 4.35Å; Y88-W101 HydrophobicContact CD2-CZ3 4.38Å; Y88-W101 HydrophobicContact CG-CE3 4Å; Y88-W101 HydrophobicContact CG-CZ3 4.17Å; A90-W101 HydrophobicContact CB-CD2 4.04Å; A90-W101 HydrophobicContact CB-CE3 4.37Å; A90-W101 HydrophobicContact CB-CG 4.3Å; F98-W101 HydrophobicContact CB-CZ2 4.24Å; F98-W101 HydrophobicContact CD2-CZ2 4.36Å; F98-W101 HydrophobicContact CG-CZ2 4.32Å
102	G	82	Confident	73.8	Confident	27 Å²	27	90.1 Å²	90.1	28%	0.278	45%	0.454	S	S	.	.			trans	-67.3	162.8	166.6	0	0	0	0	0	110.9	C89 G104	C89-G102 PolarHBondContact O-N 3.28Å; G102-G104 PolarHBondContact O-N 3.46Å
103	Q	83.3	Confident	73.3	Confident	192 Å²	192	90.8 Å²	90.8	90%	0.897	46%	0.462	S	S	*	.			trans	-59.3	-18.9	179.2	-68	-66.8	-39.6	0	0	113.5
104	G	79.6	Confident	73.5	Confident	26 Å²	26	95.4 Å²	95.4	27%	0.268	48%	0.483	S	S	.	.			trans	81.7	155.8	-178.6	0	0	0	0	0	112.7	Y87 G102	Y87-G104 CarbonylContact O-C 3.43Å; Y87-G104 VanDerWaalsContact O-CA 3.23Å; Y87-G104 WeakPolarHBondContact O-CA 3.46Å; G102-G104 PolarHBondContact O-N 3.46Å
105	T	84.4	Confident	74.3	Confident	47 Å²	47	93.5 Å²	93.5	29%	0.288	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	117	178.3	-66.5	0	0	0	0	109	P2 L13 Y87 L107	P2-T105 HydrophobicContact CG-CG2 3.44Å; P2-T105 VanDerWaalsContact CG-CG2 3.44Å; L13-T105 HydrophobicContact CD2-CG2 4.38Å; Y87-T105 PolarHBondContact N-O 2.97Å; Y87-T105 PolarHBondContact O-N 2.58Å; T105-L107 HydrophobicContact CG2-CD2 4.07Å; T105-L107 HydrophobicContact CG2-CG 4.28Å
106	T	84	Confident	75.1	Confident	88 Å²	88	84.6 Å²	84.6	54%	0.54	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	127.1	177.1	-53.6	0	0	0	0	110.9	T86	T86-T106 PolarHBondContact OG1-OG1 3.16Å
107	L	79.5	Confident	75.8	Confident	4 Å²	4	82.3 Å²	82.3	2%	0.021	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.8	178.3	-61	169.5	0	0	0	110	P2 L11 L13 T84 A85 Y87 T105	P2-L107 VanDerWaalsContact O-CD2 3.27Å; P2-L107 WeakPolarHBondContact O-CD2 3.41Å; L11-L107 HydrophobicContact CD1-CD1 3.91Å; L11-L107 HydrophobicContact CD1-CD2 4.39Å; L11-L107 HydrophobicContact CD2-CD1 3.22Å; L11-L107 HydrophobicContact CG-CD1 4.11Å; L13-L107 HydrophobicContact CD1-CD1 3.81Å; L13-L107 HydrophobicContact CD2-CD1 3.59Å; L13-L107 HydrophobicContact CD2-CD2 4.48Å; L13-L107 HydrophobicContact CD2-CG 4.48Å; L13-L107 HydrophobicContact CG-CD1 4.09Å; T84-L107 WeakPolarHBondContact CA-O 3.38Å; A85-L107 PolarHBondContact N-O 2.86Å; A85-L107 PolarHBondContact O-N 2.79Å; Y87-L107 HydrophobicContact CD2-CB 4.15Å; Y87-L107 HydrophobicContact CD2-CD1 3.43Å; Y87-L107 VanDerWaalsContact CD2-CD1 3.43Å; Y87-L107 HydrophobicContact CD2-CG 3.97Å; Y87-L107 HydrophobicContact CE2-CB 3.99Å; Y87-L107 HydrophobicContact CE2-CD1 3.59Å; Y87-L107 HydrophobicContact CE2-CG 4.22Å; Y87-L107 HydrophobicContact CG-CD1 4.12Å; T105-L107 HydrophobicContact CG2-CD2 4.07Å; T105-L107 HydrophobicContact CG2-CG 4.28Å
108	T	78.5	Confident	76.7	Confident	68 Å²	68	74.8 Å²	74.8	42%	0.417	41%	0.414	S	S	.	.			trans	-118.2	123.1	177.7	-53.7	0	0	0	0	108.9	L4 V5 T84	L4-T108 HydrophobicContact CD1-CG2 4.22Å; V5-T108 PolarHBondContact N-O 3.04Å; V5-T108 VanDerWaalsContact N-O 3.14Å; T84-T108 HydrophobicContact CG2-CG2 4.35Å
109	V	72.4	Confident	77.2	Confident	10 Å²	10	75.6 Å²	75.6	6%	0.061	42%	0.424	C	S	.	.	B	Isolated β-bridge	trans	-105.7	115.8	174.9	-174.9	0	0	0	0	107.7	V5 P7 V79 T80 T84	V5-V109 HydrophobicContact CB-CG2 4.48Å; V5-V109 WeakPolarHBondContact O-CA 3.3Å; P7-V109 HydrophobicContact CG-CG1 4.25Å; V79-V109 HydrophobicContact CB-CG2 4.31Å; V79-V109 HydrophobicContact CG2-CG1 4.24Å; V79-V109 HydrophobicContact CG2-CG2 4.36Å; T80-V109 WeakPolarHBondContact O-CB 3.33Å; T80-V109 WeakPolarHBondContact O-CG1 3.2Å; T84-V109 PolarHBondContact OG1-N 3.03Å; T84-V109 PolarHBondContact OG1-O 2.87Å
110	S	66	Low	77.6	Confident	45 Å²	45	76 Å²	76	32%	0.315	43%	0.428	S	S	.	.			trans	-132.5	144	-179.9	67.3	0	0	0	0	110.9	L4 V5 P7	L4-S110 VanDerWaalsContact CD1-OG 3.3Å; L4-S110 WeakPolarHBondContact CD1-OG 3.38Å; V5-S110 PolarHBondContact O-N 2.69Å; P7-S110 WeakPolarHBondContact CD-O 3.4Å
111	S	58.2	Low	77.5	Confident	156 Å²	156	70.4 Å²	70.4	100%	1.091	42%	0.418	S	S	*	.			trans	-70.1	0	173.8	58.3	0	0	0	0	112.7

Retrieved 111 of 111 residues in 22.6 ms (Link to these results)

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