X5J4S9_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4S9, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 105 aa.

						>X5J4S9_MOUSE|X5J4S9
AELVKPGASVKVSCKYSGFNIKDTYMYWVKQRPEQGLEWIGRVDPANGYTKYDPKFQAKATTTADTSSNTAYLQLSSLTSEDTAVYYCANWFDSWGQGTTLTVSS
					

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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	A	75	Confident	92	Very high	117 Å²	117	76.6 Å²	76.6	97%	0.967	46%	0.464	S	S	*	.				0	137.5	0	0	0	0	0	0	108	T100	A1-T100 CarbonylContact C-O 3.53Å; A1-T100 WeakPolarHBondContact CA-O 3.46Å; A1-T100 HydrophobicContact CB-CG2 4.31Å
2	E	85.5	Confident	92.3	Very high	85 Å²	85	70.6 Å²	70.6	40%	0.397	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.7	-177.9	-179.6	-178	178.3	0	0	109.4	V4 V10 T100 L101 T102	E2-V4 HydrophobicContact CG-CG1 3.87Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.3Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.24Å; E2-T100 PolarHBondContact N-O 2.98Å; E2-L101 HydrophobicContact CB-CD2 3.77Å; E2-L101 HydrophobicContact CG-CD2 4.16Å; E2-T102 PolarHBondContact O-N 3.35Å
3	L	91.8	Very high	92.5	Very high	125 Å²	125	70.8 Å²	70.8	65%	0.654	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	120.7	-179.2	-176.2	68.6	0	0	0	108.7	T102 S104	L3-T102 WeakPolarHBondContact CA-O 3.39Å; L3-T102 HydrophobicContact CD1-CG2 3.71Å; L3-S104 WeakPolarHBondContact CD1-OG 3.38Å
4	V	94.1	Very high	92.7	Very high	17 Å²	17	66.6 Å²	66.6	10%	0.103	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	151	-174.2	-60.3	0	0	0	0	111.4	E2 A8 L78 T102 V103 S104	E2-V4 HydrophobicContact CG-CG1 3.87Å; V4-A8 HydrophobicContact CB-CB 4.45Å; V4-L78 HydrophobicContact CB-CD1 4.41Å; V4-L78 HydrophobicContact CG2-CD1 3.54Å; V4-T102 PolarHBondContact N-O 3.44Å; V4-V103 HydrophobicContact CG2-CB 4.27Å; V4-V103 HydrophobicContact CG2-CG1 4.32Å; V4-V103 HydrophobicContact CG2-CG2 3.74Å; V4-V103 WeakPolarHBondContact O-CA 3.21Å; V4-S104 PolarHBondContact O-N 2.62Å
5	K	93.9	Very high	92.7	Very high	152 Å²	152	73 Å²	73	66%	0.661	43%	0.429	S	S	*	.			trans	-80	150	176.3	-64.9	-176.3	179.5	-176.6	0	110.7	A8	K5-A8 WeakPolarHBondContact O-CB 3.26Å; K5-A8 PolarHBondContact O-N 3.14Å; K5-A8 VanDerWaalsContact O-N 3.16Å
6	P	95.3	Very high	92.5	Very high	73 Å²	73	69.7 Å²	69.7	47%	0.474	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	141.6	169.5	-25.2	34	0	0	0	112	A8 L78 V103	P6-A8 PolarHBondContact O-N 3.09Å; P6-L78 CarbonylContact C-O 3.57Å; P6-L78 WeakPolarHBondContact CA-O 3.42Å; P6-V103 HydrophobicContact CB-CG1 4.48Å; P6-V103 HydrophobicContact CG-CG1 4.21Å
7	G	93.9	Very high	92.2	Very high	53 Å²	53	71.8 Å²	71.8	55%	0.546	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	-11.7	-176.7	0	0	0	0	0	114.9	L78	G7-L78 PolarHBondContact N-O 2.81Å
8	A	94.9	Very high	91.9	Very high	35 Å²	35	72.9 Å²	72.9	29%	0.289	46%	0.455	S	S	.	.			trans	-67.6	165.1	175.5	0	0	0	0	0	112	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.45Å; K5-A8 WeakPolarHBondContact O-CB 3.26Å; K5-A8 PolarHBondContact O-N 3.14Å; K5-A8 VanDerWaalsContact O-N 3.16Å; P6-A8 PolarHBondContact O-N 3.09Å; A8-S77 PolarHBondContact O-N 3.07Å; A8-L78 WeakPolarHBondContact O-CB 3.26Å; A8-L78 WeakPolarHBondContact O-CG 3.37Å; A8-L78 PolarHBondContact O-N 2.97Å
9	S	95.8	Very high	91.6	Very high	74 Å²	74	72.5 Å²	72.5	52%	0.517	45%	0.446	S	S	.	.			trans	-118.7	140.8	170.7	-58.3	0	0	0	0	109.2	L75 S76	S9-L75 CarbonylContact C-O 3.58Å; S9-L75 WeakPolarHBondContact CA-O 3.4Å; S9-L75 WeakPolarHBondContact CB-O 3.38Å; S9-S76 WeakPolarHBondContact OG-CA 3.28Å
10	V	95.6	Very high	91.6	Very high	4 Å²	4	72.5 Å²	72.5	2%	0.024	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	146.8	-178.1	69.6	0	0	0	0	111.2	E2 Q74 L75 L78 L101	E2-V10 WeakPolarHBondContact OE1-CG2 3.3Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.24Å; V10-Q74 VanDerWaalsContact C-NE2 3.28Å; V10-Q74 CarbonylContact O-C 3.37Å; V10-Q74 WeakPolarHBondContact O-CA 3.43Å; V10-Q74 PolarHBondContact O-NE2 2.8Å; V10-L75 HydrophobicContact CG1-CB 4.02Å; V10-L75 HydrophobicContact CG1-CD1 4.21Å; V10-L75 PolarHBondContact N-O 3.41Å; V10-L75 PolarHBondContact O-N 3.08Å; V10-L78 HydrophobicContact CB-CD1 4.06Å; V10-L78 HydrophobicContact CG1-CD1 3.68Å; V10-L78 HydrophobicContact CG1-CD2 4.49Å; V10-L101 HydrophobicContact CB-CD2 4.42Å; V10-L101 HydrophobicContact CG1-CD1 3.67Å; V10-L101 HydrophobicContact CG1-CD2 4.07Å; V10-L101 HydrophobicContact CG2-CD2 3.82Å
11	K	96.2	Very high	91.6	Very high	108 Å²	108	69 Å²	69	47%	0.47	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	105.8	175.8	-165	178.7	-178.4	-171.7	0	109.9	Y72 L73 Q74	K11-Y72 HydrophobicContact CD-CD1 4.23Å; K11-Y72 HydrophobicContact CG-CD1 4.31Å; K11-L73 CarbonylContact C-O 3.42Å; K11-Q74 VanDerWaalsContact CB-OE1 3.29Å
12	V	95.8	Very high	92.5	Very high	4 Å²	4	68 Å²	68	2%	0.024	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	134.4	172.7	-172.5	0	0	0	0	108.7	W28 Y72 L73 T99 L101	V12-W28 HydrophobicContact CB-CH2 4.41Å; V12-W28 HydrophobicContact CB-CZ3 4.29Å; V12-W28 HydrophobicContact CG1-CH2 4.07Å; V12-W28 HydrophobicContact CG1-CZ3 3.79Å; V12-Y72 CarbonylContact O-C 3.55Å; V12-Y72 VanDerWaalsContact O-CA 3.26Å; V12-Y72 WeakPolarHBondContact O-CA 3.48Å; V12-L73 HydrophobicContact CB-CB 4.38Å; V12-L73 PolarHBondContact N-O 2.91Å; V12-L73 PolarHBondContact O-N 2.91Å; V12-T99 HydrophobicContact CG1-CG2 4.27Å; V12-L101 HydrophobicContact CG2-CD1 3.71Å
13	S	95.4	Very high	92.8	Very high	74 Å²	74	69.7 Å²	69.7	52%	0.517	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	149.2	175.9	63.5	0	0	0	0	111.1	A71	S13-A71 CarbonylContact C-O 3.57Å; S13-A71 WeakPolarHBondContact CA-O 3.39Å
14	C	94.5	Very high	92.8	Very high	11 Å²	11	64.2 Å²	64.2	7%	0.074	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	108.3	173.6	177.6	0	0	0	0	109.3	Y16 W28 T70 A71 C88	C14-Y16 HydrophobicContact CB-CE2 4.3Å; C14-Y16 WeakPolarHBondContact SG-CE2 3.43Å; C14-W28 HydrophobicContact CB-CH2 3.64Å; C14-W28 HydrophobicContact CB-CZ2 4.14Å; C14-W28 HydrophobicContact CB-CZ3 4.41Å; C14-T70 CarbonylContact O-C 3.57Å; C14-T70 WeakPolarHBondContact O-CA 3.38Å; C14-A71 PolarHBondContact N-O 3.3Å; C14-A71 PolarHBondContact O-N 2.02Å; C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.22Å; C14-C88 WeakPolarHBondContact SG-CB 3.36Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.81Å
15	K	93.4	Very high	92.8	Very high	163 Å²	163	67.3 Å²	67.3	71%	0.709	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.2	179.9	-175.9	174.9	-176.3	179.9	0	109.9	T70	K15-T70 HydrophobicContact CB-CG2 4.41Å
16	Y	88.4	Confident	92.9	Very high	20 Å²	20	60.1 Å²	60.1	8%	0.078	36%	0.359	C	S	.	.			trans	-103	150.4	178	-68.1	-86.1	0	0	0	111.4	C14 F19 I21 M26 N69 A71 C88 A89	C14-Y16 HydrophobicContact CB-CE2 4.3Å; C14-Y16 WeakPolarHBondContact SG-CE2 3.43Å; Y16-F19 AromaticContact CD1-CE1 3.65Å; Y16-F19 HydrophobicContact CD1-CE1 3.65Å; Y16-F19 HydrophobicContact CD1-CE2 4.32Å; Y16-F19 AromaticContact CD1-CZ 3.22Å; Y16-F19 HydrophobicContact CD1-CZ 3.22Å; Y16-F19 AromaticContact CE1-CZ 3.93Å; Y16-F19 HydrophobicContact CE1-CZ 3.93Å; Y16-F19 HydrophobicContact CG-CE1 4.12Å; Y16-F19 HydrophobicContact CG-CE2 4.29Å; Y16-F19 AromaticContact CG-CZ 3.55Å; Y16-F19 HydrophobicContact CG-CZ 3.55Å; Y16-I21 HydrophobicContact CD2-CD1 3.74Å; Y16-I21 HydrophobicContact CD2-CG1 4.08Å; Y16-I21 HydrophobicContact CE2-CD1 4.16Å; Y16-M26 HydrophobicContact CD2-SD 3.77Å; Y16-M26 HydrophobicContact CE1-SD 4.29Å; Y16-M26 HydrophobicContact CE2-CE 4.45Å; Y16-M26 HydrophobicContact CE2-CG 4.49Å; Y16-M26 HydrophobicContact CE2-SD 3.16Å; Y16-M26 WeakPolarHBondContact CE2-SD 3.34Å; Y16-N69 PolarHBondContact N-O 3.5Å; Y16-N69 PolarHBondContact O-ND2 3.35Å; Y16-A71 HydrophobicContact CE2-CB 4.32Å; Y16-C88 WeakPolarHBondContact OH-CB 3.29Å; Y16-A89 PolarHBondContact OH-O 3.37Å
17	S	88.2	Confident	92.9	Very high	106 Å²	106	58.6 Å²	58.6	74%	0.741	34%	0.344	S	S	*	.			trans	-136.8	150.7	177.4	64.6	0	0	0	0	109.9
18	G	86.4	Confident	93.1	Very high	92 Å²	92	56.2 Å²	56.2	95%	0.948	32%	0.318	S	S	*	.	S	Bend	trans	85.1	-2.7	178.9	0	0	0	0	0	115.9
19	F	86.2	Confident	93.2	Very high	64 Å²	64	55.1 Å²	55.1	28%	0.281	31%	0.308	S	S	.	.	S	Bend	trans	-155.4	164.4	173.7	66.7	-87.2	0	0	0	111.2	Y16 T24 N69	Y16-F19 AromaticContact CD1-CE1 3.65Å; Y16-F19 HydrophobicContact CD1-CE1 3.65Å; Y16-F19 HydrophobicContact CD1-CE2 4.32Å; Y16-F19 AromaticContact CD1-CZ 3.22Å; Y16-F19 HydrophobicContact CD1-CZ 3.22Å; Y16-F19 AromaticContact CE1-CZ 3.93Å; Y16-F19 HydrophobicContact CE1-CZ 3.93Å; Y16-F19 HydrophobicContact CG-CE1 4.12Å; Y16-F19 HydrophobicContact CG-CE2 4.29Å; Y16-F19 AromaticContact CG-CZ 3.55Å; Y16-F19 HydrophobicContact CG-CZ 3.55Å; F19-T24 HydrophobicContact CD2-CG2 4.09Å; F19-T24 HydrophobicContact CE2-CG2 3.57Å; F19-T24 HydrophobicContact CZ-CG2 4.46Å; F19-N69 PolarHBondContact O-ND2 2.77Å
20	N	91	Very high	93.2	Very high	73 Å²	73	51.6 Å²	51.6	39%	0.39	28%	0.283	S	S	.	.			trans	-86.5	123	174.5	178.3	-0.5	0	0	0	110	K22 D23	N20-K22 PolarHBondContact O-N 2.88Å; N20-K22 WeakPolarHBondContact OD1-CB 3.24Å; N20-K22 PolarHBondContact OD1-N 3.14Å; N20-K22 VanDerWaalsContact OD1-N 3.11Å; N20-D23 WeakPolarHBondContact CB-OD2 3.28Å; N20-D23 WeakPolarHBondContact O-CB 3.37Å; N20-D23 PolarHBondContact O-N 2.86Å
21	I	92.4	Very high	93.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-60.8	-20.5	-176.2	-153.8	-179.8	0	0	0	112.8	Y16 D23 M26 P45 T66 N69 A71	Y16-I21 HydrophobicContact CD2-CD1 3.74Å; Y16-I21 HydrophobicContact CD2-CG1 4.08Å; Y16-I21 HydrophobicContact CE2-CD1 4.16Å; I21-D23 PolarHBondContact O-N 3.05Å; I21-M26 HydrophobicContact CD1-CG 3.93Å; I21-M26 HydrophobicContact CD1-SD 3.71Å; I21-M26 HydrophobicContact CG1-CE 4.39Å; I21-M26 HydrophobicContact CG1-CG 3.81Å; I21-M26 HydrophobicContact CG1-SD 3.37Å; I21-M26 WeakPolarHBondContact CG1-SD 3.37Å; I21-P45 HydrophobicContact CD1-CG 4.47Å; I21-P45 HydrophobicContact CG1-CG 4.05Å; I21-P45 HydrophobicContact CG2-CB 4.04Å; I21-P45 HydrophobicContact CG2-CG 4.47Å; I21-P45 VanDerWaalsContact O-CG 3.26Å; I21-P45 WeakPolarHBondContact O-CG 3.32Å; I21-T66 HydrophobicContact CG2-CG2 4.07Å; I21-N69 WeakPolarHBondContact CB-OD1 3.09Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.2Å; I21-N69 PolarHBondContact N-OD1 3.24Å; I21-A71 HydrophobicContact CD1-CB 4.04Å
22	K	93.7	Very high	93	Very high	94 Å²	94	52.3 Å²	52.3	41%	0.409	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-67.3	-19.1	174.8	-67.8	-173.6	175.8	-176.9	0	114	N20 T24 A46 T66	N20-K22 PolarHBondContact O-N 2.88Å; N20-K22 WeakPolarHBondContact OD1-CB 3.24Å; N20-K22 PolarHBondContact OD1-N 3.14Å; N20-K22 VanDerWaalsContact OD1-N 3.11Å; K22-T24 VanDerWaalsContact C-N 3.29Å; K22-T24 PolarHBondContact O-N 3.36Å; K22-A46 HydrophobicContact CB-CB 4.42Å; K22-T66 HydrophobicContact CD-CG2 4.12Å; K22-T66 VanDerWaalsContact CE-CG2 3.4Å; K22-T66 WeakPolarHBondContact CE-OG1 3.43Å; K22-T66 HydrophobicContact CG-CG2 3.55Å
23	D	92.2	Very high	92.3	Very high	122 Å²	122	58.2 Å²	58.2	65%	0.652	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-87.5	1.8	-172.5	-57.4	-25.7	0	0	0	112.9	N20 I21	N20-D23 WeakPolarHBondContact CB-OD2 3.28Å; N20-D23 WeakPolarHBondContact O-CB 3.37Å; N20-D23 PolarHBondContact O-N 2.86Å; I21-D23 PolarHBondContact O-N 3.05Å
24	T	92.3	Very high	91.8	Very high	10 Å²	10	64.1 Å²	64.1	6%	0.061	34%	0.343	C	S	.	.	S	Bend	trans	-151.9	157.7	-176.5	172.2	0	0	0	0	112.1	F19 K22 M26 P45 N90 W91	F19-T24 HydrophobicContact CD2-CG2 4.09Å; F19-T24 HydrophobicContact CE2-CG2 3.57Å; F19-T24 HydrophobicContact CZ-CG2 4.46Å; K22-T24 VanDerWaalsContact C-N 3.29Å; K22-T24 PolarHBondContact O-N 3.36Å; T24-M26 HydrophobicContact CG2-CE 3.32Å; T24-P45 WeakPolarHBondContact O-CD 3.35Å; T24-N90 HydrophobicContact CG2-CB 4.31Å; T24-W91 PolarHBondContact OG1-N 3.45Å
25	Y	93.9	Very high	91.3	Very high	81 Å²	81	68.5 Å²	68.5	32%	0.318	36%	0.363	S	S	.	.			trans	-75.1	141	167	-60.2	-68.2	0	0	0	111.5	Y27 D44	Y25-Y27 WeakPolarHBondContact O-CE2 3.42Å; Y25-D44 HydrophobicContact CD1-CB 3.75Å; Y25-D44 HydrophobicContact CE1-CB 3.61Å; Y25-D44 WeakPolarHBondContact CE1-OD2 3.46Å
26	M	94.9	Very high	91	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.005	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119.4	175.8	-57.3	-69.2	85.1	0	0	109.3	Y16 I21 T24 R42 V43 P45 A71 N90	Y16-M26 HydrophobicContact CD2-SD 3.77Å; Y16-M26 HydrophobicContact CE1-SD 4.29Å; Y16-M26 HydrophobicContact CE2-CE 4.45Å; Y16-M26 HydrophobicContact CE2-CG 4.49Å; Y16-M26 HydrophobicContact CE2-SD 3.16Å; Y16-M26 WeakPolarHBondContact CE2-SD 3.34Å; I21-M26 HydrophobicContact CD1-CG 3.93Å; I21-M26 HydrophobicContact CD1-SD 3.71Å; I21-M26 HydrophobicContact CG1-CE 4.39Å; I21-M26 HydrophobicContact CG1-CG 3.81Å; I21-M26 HydrophobicContact CG1-SD 3.37Å; I21-M26 WeakPolarHBondContact CG1-SD 3.37Å; T24-M26 HydrophobicContact CG2-CE 3.32Å; M26-R42 CarbonylContact O-C 3.48Å; M26-R42 WeakPolarHBondContact O-CA 3.25Å; M26-R42 VanDerWaalsContact O-CB 3.25Å; M26-R42 WeakPolarHBondContact O-CB 3.02Å; M26-V43 HydrophobicContact CB-CG1 3.79Å; M26-V43 HydrophobicContact CG-CG1 4.35Å; M26-V43 PolarHBondContact N-O 2.78Å; M26-V43 PolarHBondContact O-N 2.85Å; M26-P45 HydrophobicContact CG-CG 3.69Å; M26-A71 HydrophobicContact CB-CB 4.17Å; M26-A71 HydrophobicContact CG-CB 4.13Å; M26-N90 HydrophobicContact CE-CB 3.42Å; M26-N90 VanDerWaalsContact CE-CB 3.42Å
27	Y	96.3	Very high	91.3	Very high	41 Å²	41	67.1 Å²	67.1	16%	0.161	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	144.9	-178	-59.9	-93.1	0	0	0	110.2	Y25 W39 G41 R42 C88 A89 W91	Y25-Y27 WeakPolarHBondContact O-CE2 3.42Å; Y27-W39 AromaticContact CD1-NE1 3.58Å; Y27-G41 WeakPolarHBondContact CA-O 3.48Å; Y27-R42 HydrophobicContact CD1-CB 3.84Å; Y27-R42 HydrophobicContact CE1-CB 4.06Å; Y27-R42 HydrophobicContact CG-CB 4.36Å; Y27-C88 CarbonylContact O-C 3.55Å; Y27-C88 VanDerWaalsContact O-CA 3.27Å; Y27-C88 WeakPolarHBondContact O-CA 3.3Å; Y27-A89 PolarHBondContact N-O 2.87Å; Y27-A89 PolarHBondContact O-N 2.88Å; Y27-W91 VanDerWaalsContact OH-CE3 3.3Å
28	W	97.5	Very high	91.7	Very high	3 Å²	3	63.6 Å²	63.6	1%	0.011	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.9	172	-70.8	100.4	0	0	0	110.2	V12 C14 I40 G41 T62 A71 Y72 L73 Y87 C88	V12-W28 HydrophobicContact CB-CH2 4.41Å; V12-W28 HydrophobicContact CB-CZ3 4.29Å; V12-W28 HydrophobicContact CG1-CH2 4.07Å; V12-W28 HydrophobicContact CG1-CZ3 3.79Å; C14-W28 HydrophobicContact CB-CH2 3.64Å; C14-W28 HydrophobicContact CB-CZ2 4.14Å; C14-W28 HydrophobicContact CB-CZ3 4.41Å; W28-I40 HydrophobicContact CB-CB 4.07Å; W28-I40 HydrophobicContact CB-CD1 4.22Å; W28-I40 HydrophobicContact CB-CG2 4.48Å; W28-I40 WeakPolarHBondContact O-CB 3.27Å; W28-I40 PolarHBondContact O-N 2.9Å; W28-G41 PolarHBondContact N-O 2.9Å; W28-T62 VanDerWaalsContact CD1-OG1 3.28Å; W28-T62 PolarHBondContact NE1-OG1 2.76Å; W28-A71 HydrophobicContact CZ2-CB 4.05Å; W28-Y72 VanDerWaalsContact CZ2-C 3.49Å; W28-L73 HydrophobicContact CB-CD1 4.48Å; W28-L73 HydrophobicContact CB-CD2 4.22Å; W28-L73 HydrophobicContact CD2-CB 3.54Å; W28-L73 HydrophobicContact CD2-CD2 3.99Å; W28-L73 HydrophobicContact CD2-CG 4.25Å; W28-L73 HydrophobicContact CE3-CB 3.8Å; W28-L73 HydrophobicContact CE3-CD2 3.82Å; W28-L73 HydrophobicContact CE3-CG 4.43Å; W28-L73 HydrophobicContact CG-CB 4.02Å; W28-L73 HydrophobicContact CG-CD1 4.27Å; W28-L73 HydrophobicContact CG-CD2 4.17Å; W28-L73 HydrophobicContact CG-CG 4.39Å; W28-L73 HydrophobicContact CH2-CB 4.03Å; W28-L73 HydrophobicContact CZ2-CB 3.81Å; W28-L73 HydrophobicContact CZ3-CB 4.03Å; W28-L73 HydrophobicContact CZ3-CD2 4.48Å; W28-Y87 WeakPolarHBondContact CA-O 3.1Å; W28-C88 HydrophobicContact CE3-CB 4.11Å; W28-C88 HydrophobicContact CH2-CB 4.07Å; W28-C88 HydrophobicContact CZ2-CB 4.43Å; W28-C88 HydrophobicContact CZ3-CB 3.89Å
29	V	96.8	Very high	92.1	Very high	12 Å²	12	63 Å²	63	7%	0.073	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	135.2	-174.8	-176.4	0	0	0	0	109.4	L37 E38 Y86 Y87 W95	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.86Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; V29-E38 CarbonylContact C-O 3.56Å; V29-E38 WeakPolarHBondContact CA-O 3.1Å; V29-E38 WeakPolarHBondContact CG1-O 3.41Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.42Å; V29-Y87 PolarHBondContact N-O 2.95Å; V29-Y87 PolarHBondContact O-N 3.23Å; V29-W95 HydrophobicContact CB-CH2 4.19Å; V29-W95 HydrophobicContact CB-CZ3 3.98Å; V29-W95 HydrophobicContact CG1-CH2 4.11Å; V29-W95 HydrophobicContact CG1-CZ3 4.12Å; V29-W95 HydrophobicContact CG2-CH2 3.88Å; V29-W95 HydrophobicContact CG2-CZ3 4.05Å
30	K	96.2	Very high	92.6	Very high	1 Å²	1	60 Å²	60	0%	0.004	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	133.4	173	-176.8	-179.9	179.5	-179.1	0	109	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.32Å; K30-E38 PolarHBondContact N-O 2.69Å; K30-E38 PolarHBondContact O-N 3.19Å; K30-I40 HydrophobicContact CB-CD1 3.95Å; K30-I40 HydrophobicContact CB-CG1 4.13Å; K30-F56 HydrophobicContact CD-CE1 3.89Å; K30-F56 HydrophobicContact CD-CZ 4.04Å; K30-E81 PolarHBondContact NZ-O 2.86Å; K30-D82 IonicContact NZ-OD1 3.4Å; K30-D82 PolarHBondContact NZ-OD1 2.81Å; K30-A84 HydrophobicContact CD-CB 4.16Å; K30-A84 HydrophobicContact CG-CB 3.51Å; K30-Y86 HydrophobicContact CB-CD1 4.38Å; K30-Y86 HydrophobicContact CB-CE1 4.15Å; K30-Y86 HydrophobicContact CD-CE1 4.15Å; K30-Y86 HydrophobicContact CG-CE1 3.96Å
31	Q	95.8	Very high	92.9	Very high	72 Å²	72	56.5 Å²	56.5	34%	0.336	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123.1	170.7	-168.2	-177.8	29.8	0	0	109.8	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.76Å; Q31-L37 HydrophobicContact CG-CD2 3.81Å; Q31-A84 WeakPolarHBondContact O-CA 3.47Å; Q31-A84 VanDerWaalsContact O-CB 3.26Å; Q31-A84 WeakPolarHBondContact O-CB 3.31Å; Q31-V85 PolarHBondContact N-O 3.45Å; Q31-V85 PolarHBondContact O-N 2.85Å; Q31-Y87 HydrophobicContact CB-CD2 4.2Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.29Å; Q31-Y87 PolarHBondContact OE1-OH 3.23Å
32	R	91.9	Very high	93.1	Very high	55 Å²	55	58.6 Å²	58.6	21%	0.208	29%	0.294	C	S	.	.			trans	-97.5	149.5	171.3	-64	-172.9	-139.9	-165.8	-1.1	109.6	E34 Q35 E38 A84	R32-E34 PolarHBondContact O-N 2.79Å; R32-E34 VanDerWaalsContact O-N 3.09Å; R32-Q35 HydrophobicContact CB-CB 3.77Å; R32-Q35 VanDerWaalsContact NE-OE1 3.09Å; R32-Q35 PolarHBondContact O-N 3.03Å; R32-Q35 VanDerWaalsContact O-N 3.14Å; R32-E38 IonicContact CZ-OE2 2.91Å; R32-E38 IonicContact NE-OE2 3.08Å; R32-E38 PolarHBondContact NE-OE2 2.8Å; R32-E38 VanDerWaalsContact NE-OE2 3.08Å; R32-E38 IonicContact NH2-OE1 3.5Å; R32-E38 IonicContact NH2-OE2 3.98Å; R32-E38 PolarHBondContact NH2-OE2 2.96Å; R32-A84 HydrophobicContact CG-CB 4.1Å
33	P	80.9	Confident	93.3	Very high	128 Å²	128	54.3 Å²	54.3	83%	0.831	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-32.1	-177.3	-27.7	35.2	0	0	0	114.9
34	E	84	Confident	93.5	Very high	197 Å²	197	49.3 Å²	49.3	92%	0.921	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.8	7.9	-177.6	-57.8	-168.4	173.9	0	0	113.7	R32	R32-E34 PolarHBondContact O-N 2.79Å; R32-E34 VanDerWaalsContact O-N 3.09Å
35	Q	83.8	Confident	93.6	Very high	104 Å²	104	49.4 Å²	49.4	49%	0.486	25%	0.25	S	C	.	.	S	Bend	trans	-131.7	153	-173.6	-113.3	170.7	16	0	0	110.2	R32	R32-Q35 HydrophobicContact CB-CB 3.77Å; R32-Q35 VanDerWaalsContact NE-OE1 3.09Å; R32-Q35 PolarHBondContact O-N 3.03Å; R32-Q35 VanDerWaalsContact O-N 3.14Å
36	G	88.7	Confident	93.7	Very high	55 Å²	55	48.4 Å²	48.4	57%	0.567	26%	0.259	S	S	*	.			trans	-63.8	-180	177.3	0	0	0	0	0	113.1	E38	G36-E38 PolarHBondContact O-N 3.11Å
37	L	94	Very high	93.7	Very high	98 Å²	98	53.6 Å²	53.6	51%	0.513	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	124.1	172.6	-64.3	172.5	0	0	0	110	V29 Q31 W95	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.86Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; Q31-L37 HydrophobicContact CB-CD2 3.76Å; Q31-L37 HydrophobicContact CG-CD2 3.81Å; L37-W95 HydrophobicContact CD1-CH2 3.89Å; L37-W95 HydrophobicContact CD1-CZ3 4.49Å
38	E	95.8	Very high	93.6	Very high	33 Å²	33	54 Å²	54	15%	0.154	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	118.5	173.8	-57.3	-170.9	91.3	0	0	109.2	V29 K30 R32 G36 I40 K55 F56	V29-E38 CarbonylContact C-O 3.56Å; V29-E38 WeakPolarHBondContact CA-O 3.1Å; V29-E38 WeakPolarHBondContact CG1-O 3.41Å; K30-E38 HydrophobicContact CB-CB 4.32Å; K30-E38 PolarHBondContact N-O 2.69Å; K30-E38 PolarHBondContact O-N 3.19Å; R32-E38 IonicContact CZ-OE2 2.91Å; R32-E38 IonicContact NE-OE2 3.08Å; R32-E38 PolarHBondContact NE-OE2 2.8Å; R32-E38 VanDerWaalsContact NE-OE2 3.08Å; R32-E38 IonicContact NH2-OE1 3.5Å; R32-E38 IonicContact NH2-OE2 3.98Å; R32-E38 PolarHBondContact NH2-OE2 2.96Å; G36-E38 PolarHBondContact O-N 3.11Å; E38-I40 PolarHBondContact O-N 3.06Å; E38-K55 IonicContact OE1-NZ 3.91Å; E38-F56 HydrophobicContact CB-CE2 4.22Å; E38-F56 HydrophobicContact CB-CZ 4.14Å
39	W	96	Very high	93.5	Very high	78 Å²	78	59.9 Å²	59.9	30%	0.295	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	126.8	174	179.7	70.1	0	0	0	110.2	Y27 G41 R42 K51 Y52 D53	Y27-W39 AromaticContact CD1-NE1 3.58Å; W39-G41 PolarHBondContact NE1-O 3.02Å; W39-G41 VanDerWaalsContact NE1-O 3.1Å; W39-R42 HydrophobicContact CZ2-CB 4.2Å; W39-R42 HydrophobicContact CZ2-CG 4.17Å; W39-K51 HydrophobicContact CH2-CB 4.32Å; W39-K51 HydrophobicContact CH2-CD 4.21Å; W39-K51 HydrophobicContact CH2-CG 4.03Å; W39-Y52 VanDerWaalsContact CZ3-C 3.48Å; W39-D53 HydrophobicContact CE3-CB 3.79Å; W39-D53 HydrophobicContact CZ3-CB 3.98Å; W39-D53 VanDerWaalsContact CZ3-N 3.28Å; W39-D53 VanDerWaalsContact O-CB 3.28Å; W39-D53 WeakPolarHBondContact O-CB 3.46Å
40	I	97.3	Very high	93.5	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-49	-179.7	-65.8	162.9	0	0	0	110.3	W28 K30 E38 Y52 D53 F56 A60 L73 Y86	W28-I40 HydrophobicContact CB-CB 4.07Å; W28-I40 HydrophobicContact CB-CD1 4.22Å; W28-I40 HydrophobicContact CB-CG2 4.48Å; W28-I40 WeakPolarHBondContact O-CB 3.27Å; W28-I40 PolarHBondContact O-N 2.9Å; K30-I40 HydrophobicContact CB-CD1 3.95Å; K30-I40 HydrophobicContact CB-CG1 4.13Å; E38-I40 PolarHBondContact O-N 3.06Å; I40-Y52 WeakPolarHBondContact O-CA 3.5Å; I40-D53 PolarHBondContact O-N 2.79Å; I40-F56 HydrophobicContact CB-CD2 4.38Å; I40-F56 HydrophobicContact CB-CG 4.31Å; I40-F56 HydrophobicContact CG1-CD1 4.12Å; I40-F56 HydrophobicContact CG1-CD2 4.24Å; I40-F56 HydrophobicContact CG1-CE1 4.14Å; I40-F56 HydrophobicContact CG1-CE2 4.25Å; I40-F56 HydrophobicContact CG1-CG 4.16Å; I40-F56 HydrophobicContact CG1-CZ 4.21Å; I40-F56 HydrophobicContact CG2-CB 3.86Å; I40-F56 HydrophobicContact CG2-CD1 4.39Å; I40-F56 HydrophobicContact CG2-CG 4.03Å; I40-A60 HydrophobicContact CG2-CB 3.61Å; I40-L73 HydrophobicContact CD1-CD2 3.83Å; I40-L73 HydrophobicContact CG2-CD1 4.09Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.9Å
41	G	97.1	Very high	93.6	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.6	179.7	-169.6	0	0	0	0	0	113.1	Y27 W28 W39 K51	Y27-G41 WeakPolarHBondContact CA-O 3.48Å; W28-G41 PolarHBondContact N-O 2.9Å; W39-G41 PolarHBondContact NE1-O 3.02Å; W39-G41 VanDerWaalsContact NE1-O 3.1Å; G41-K51 CarbonylContact C-O 3.6Å; G41-K51 WeakPolarHBondContact CA-O 3.42Å
42	R	96.5	Very high	93.7	Very high	45 Å²	45	65.6 Å²	65.6	17%	0.17	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	156.5	173.4	72.6	178.3	-170.1	141.6	6.4	112.2	M26 Y27 W39 T50 K51	M26-R42 CarbonylContact O-C 3.48Å; M26-R42 WeakPolarHBondContact O-CA 3.25Å; M26-R42 VanDerWaalsContact O-CB 3.25Å; M26-R42 WeakPolarHBondContact O-CB 3.02Å; Y27-R42 HydrophobicContact CD1-CB 3.84Å; Y27-R42 HydrophobicContact CE1-CB 4.06Å; Y27-R42 HydrophobicContact CG-CB 4.36Å; W39-R42 HydrophobicContact CZ2-CB 4.2Å; W39-R42 HydrophobicContact CZ2-CG 4.17Å; R42-T50 VanDerWaalsContact O-CA 3.28Å; R42-T50 WeakPolarHBondContact O-CA 3.41Å; R42-K51 HydrophobicContact CG-CB 4.12Å; R42-K51 PolarHBondContact N-O 2.87Å; R42-K51 PolarHBondContact O-N 3.02Å
43	V	96.8	Very high	93.9	Very high	3 Å²	3	65.1 Å²	65.1	2%	0.018	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	141.7	166.5	59.9	0	0	0	0	109.9	M26 P45 Y49 T50 T62 A64	M26-V43 HydrophobicContact CB-CG1 3.79Å; M26-V43 HydrophobicContact CG-CG1 4.35Å; M26-V43 PolarHBondContact N-O 2.78Å; M26-V43 PolarHBondContact O-N 2.85Å; V43-P45 WeakPolarHBondContact O-CD 3.03Å; V43-Y49 CarbonylContact C-O 3.58Å; V43-Y49 WeakPolarHBondContact CA-O 3.47Å; V43-T50 HydrophobicContact CB-CG2 4.06Å; V43-T50 HydrophobicContact CG2-CG2 3.93Å; V43-T62 HydrophobicContact CB-CG2 3.77Å; V43-T62 HydrophobicContact CG1-CG2 4.38Å; V43-A64 HydrophobicContact CG1-CB 4.2Å; V43-A64 HydrophobicContact CG2-CB 4.48Å
44	D	96.4	Very high	94.6	Very high	17 Å²	17	64.1 Å²	64.1	9%	0.091	35%	0.347	C	S	.	.			trans	-92.8	105.2	163.4	-174.6	-21.4	0	0	0	108.4	Y25 A46 N47 G48 Y49	Y25-D44 HydrophobicContact CD1-CB 3.75Å; Y25-D44 HydrophobicContact CE1-CB 3.61Å; Y25-D44 WeakPolarHBondContact CE1-OD2 3.46Å; D44-A46 PolarHBondContact O-N 3.49Å; D44-A46 VanDerWaalsContact OD1-CB 3.26Å; D44-A46 WeakPolarHBondContact OD1-CB 3.49Å; D44-A46 PolarHBondContact OD1-N 2.93Å; D44-N47 WeakPolarHBondContact CB-OD1 3.38Å; D44-N47 VanDerWaalsContact CG-OD1 3.31Å; D44-N47 PolarHBondContact O-N 3.08Å; D44-N47 PolarHBondContact OD2-ND2 2.82Å; D44-N47 PolarHBondContact OD2-OD1 2.82Å; D44-G48 VanDerWaalsContact O-CA 3.22Å; D44-G48 WeakPolarHBondContact O-CA 3.34Å; D44-G48 PolarHBondContact O-N 2.92Å; D44-Y49 PolarHBondContact N-O 3.16Å
45	P	95.8	Very high	95.1	Very high	12 Å²	12	61.9 Å²	61.9	8%	0.078	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-14.2	-177.4	-21.9	38.1	0	0	0	113.5	I21 T24 M26 V43 A64 T66	I21-P45 HydrophobicContact CD1-CG 4.47Å; I21-P45 HydrophobicContact CG1-CG 4.05Å; I21-P45 HydrophobicContact CG2-CB 4.04Å; I21-P45 HydrophobicContact CG2-CG 4.47Å; I21-P45 VanDerWaalsContact O-CG 3.26Å; I21-P45 WeakPolarHBondContact O-CG 3.32Å; T24-P45 WeakPolarHBondContact O-CD 3.35Å; M26-P45 HydrophobicContact CG-CG 3.69Å; V43-P45 WeakPolarHBondContact O-CD 3.03Å; P45-A64 HydrophobicContact CB-CB 3.72Å; P45-A64 HydrophobicContact CG-CB 3.84Å; P45-T66 HydrophobicContact CB-CG2 3.99Å; P45-T66 WeakPolarHBondContact O-CG2 3.15Å
46	A	95	Very high	95.6	Very high	61 Å²	61	57.4 Å²	57.4	50%	0.504	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-35.7	179.4	0	0	0	0	0	112.5	K22 D44	K22-A46 HydrophobicContact CB-CB 4.42Å; D44-A46 PolarHBondContact O-N 3.49Å; D44-A46 VanDerWaalsContact OD1-CB 3.26Å; D44-A46 WeakPolarHBondContact OD1-CB 3.49Å; D44-A46 PolarHBondContact OD1-N 2.93Å
47	N	94.9	Very high	95.9	Very high	110 Å²	110	61.1 Å²	61.1	59%	0.588	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.1	-2.7	-175.2	58.9	37.4	0	0	0	114.1	D44 Y49	D44-N47 WeakPolarHBondContact CB-OD1 3.38Å; D44-N47 VanDerWaalsContact CG-OD1 3.31Å; D44-N47 PolarHBondContact O-N 3.08Å; D44-N47 PolarHBondContact OD2-ND2 2.82Å; D44-N47 PolarHBondContact OD2-OD1 2.82Å; N47-Y49 VanDerWaalsContact C-N 3.29Å; N47-Y49 PolarHBondContact O-N 2.92Å; N47-Y49 WeakPolarHBondContact OD1-CB 3.41Å; N47-Y49 PolarHBondContact OD1-N 3.33Å
48	G	93.8	Very high	95.9	Very high	48 Å²	48	61.1 Å²	61.1	50%	0.495	33%	0.33	S	S	.	.			trans	77.7	6.9	180	0	0	0	0	0	114.7	D44 T50	D44-G48 VanDerWaalsContact O-CA 3.22Å; D44-G48 WeakPolarHBondContact O-CA 3.34Å; D44-G48 PolarHBondContact O-N 2.92Å; G48-T50 PolarHBondContact O-N 3.3Å
49	Y	96	Very high	95.9	Very high	127 Å²	127	62.4 Å²	62.4	50%	0.498	34%	0.335	S	S	.	.			trans	-63	133.5	178.7	177.7	-94.7	0	0	0	110.8	V43 D44 N47 K51	V43-Y49 CarbonylContact C-O 3.58Å; V43-Y49 WeakPolarHBondContact CA-O 3.47Å; D44-Y49 PolarHBondContact N-O 3.16Å; N47-Y49 VanDerWaalsContact C-N 3.29Å; N47-Y49 PolarHBondContact O-N 2.92Å; N47-Y49 WeakPolarHBondContact OD1-CB 3.41Å; N47-Y49 PolarHBondContact OD1-N 3.33Å; Y49-K51 HydrophobicContact CE1-CB 4.19Å
50	T	97.4	Very high	95.9	Very high	49 Å²	49	58.8 Å²	58.8	30%	0.301	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	148.7	179.2	58.9	0	0	0	0	111.5	R42 V43 G48 Y52 T62	R42-T50 VanDerWaalsContact O-CA 3.28Å; R42-T50 WeakPolarHBondContact O-CA 3.41Å; V43-T50 HydrophobicContact CB-CG2 4.06Å; V43-T50 HydrophobicContact CG2-CG2 3.93Å; G48-T50 PolarHBondContact O-N 3.3Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.17Å; T50-T62 HydrophobicContact CG2-CG2 3.72Å
51	K	97.3	Very high	96	Very high	112 Å²	112	62.5 Å²	62.5	49%	0.487	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	138.4	171.9	-170	-174	177.3	-179.7	0	108.3	W39 G41 R42 Y49	W39-K51 HydrophobicContact CH2-CB 4.32Å; W39-K51 HydrophobicContact CH2-CD 4.21Å; W39-K51 HydrophobicContact CH2-CG 4.03Å; G41-K51 CarbonylContact C-O 3.6Å; G41-K51 WeakPolarHBondContact CA-O 3.42Å; R42-K51 HydrophobicContact CG-CB 4.12Å; R42-K51 PolarHBondContact N-O 2.87Å; R42-K51 PolarHBondContact O-N 3.02Å; Y49-K51 HydrophobicContact CE1-CB 4.19Å
52	Y	97.9	Very high	96	Very high	45 Å²	45	62.7 Å²	62.7	18%	0.176	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	157.3	-179	-58.3	-85.2	0	0	0	110.8	W39 I40 T50 A60 T62	W39-Y52 VanDerWaalsContact CZ3-C 3.48Å; I40-Y52 WeakPolarHBondContact O-CA 3.5Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.17Å; Y52-A60 HydrophobicContact CD1-CB 4.36Å; Y52-A60 HydrophobicContact CE1-CB 4.38Å; Y52-A60 WeakPolarHBondContact CE1-O 2.99Å; Y52-T62 HydrophobicContact CE1-CG2 3.72Å; Y52-T62 WeakPolarHBondContact OH-CG2 3.02Å; Y52-T62 PolarHBondContact OH-N 2.88Å
53	D	96.8	Very high	96	Very high	44 Å²	44	63.5 Å²	63.5	24%	0.235	36%	0.356	C	S	.	.			trans	-72.6	136.7	158.7	-177.6	-66.7	0	0	0	108.6	W39 I40 K55 F56 Q57	W39-D53 HydrophobicContact CE3-CB 3.79Å; W39-D53 HydrophobicContact CZ3-CB 3.98Å; W39-D53 VanDerWaalsContact CZ3-N 3.28Å; W39-D53 VanDerWaalsContact O-CB 3.28Å; W39-D53 WeakPolarHBondContact O-CB 3.46Å; I40-D53 PolarHBondContact O-N 2.79Å; D53-K55 PolarHBondContact O-N 3.3Å; D53-K55 VanDerWaalsContact OD1-CB 3.24Å; D53-K55 WeakPolarHBondContact OD1-CB 3.43Å; D53-K55 VanDerWaalsContact OD1-CG 3.3Å; D53-K55 WeakPolarHBondContact OD1-CG 3.44Å; D53-K55 PolarHBondContact OD1-N 3.11Å; D53-F56 HydrophobicContact CB-CD2 4.06Å; D53-F56 PolarHBondContact O-N 3.44Å; D53-Q57 PolarHBondContact O-N 3.38Å; D53-Q57 VanDerWaalsContact O-N 3.16Å
54	P	96.3	Very high	95.9	Very high	107 Å²	107	65 Å²	65	70%	0.695	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-30.9	-178.8	-28.8	35.8	0	0	0	114.4	F56	P54-F56 PolarHBondContact O-N 2.85Å
55	K	93.6	Very high	95.9	Very high	151 Å²	151	66.8 Å²	66.8	66%	0.657	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-30.5	177.6	-65.7	173.8	177.7	178.1	0	113	E38 D53	E38-K55 IonicContact OE1-NZ 3.91Å; D53-K55 PolarHBondContact O-N 3.3Å; D53-K55 VanDerWaalsContact OD1-CB 3.24Å; D53-K55 WeakPolarHBondContact OD1-CB 3.43Å; D53-K55 VanDerWaalsContact OD1-CG 3.3Å; D53-K55 WeakPolarHBondContact OD1-CG 3.44Å; D53-K55 PolarHBondContact OD1-N 3.11Å
56	F	95.4	Very high	95.8	Very high	10 Å²	10	68.6 Å²	68.6	4%	0.044	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-10.4	-174.2	-62.3	-82	0	0	0	113.3	K30 E38 I40 D53 P54 A58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.89Å; K30-F56 HydrophobicContact CD-CZ 4.04Å; E38-F56 HydrophobicContact CB-CE2 4.22Å; E38-F56 HydrophobicContact CB-CZ 4.14Å; I40-F56 HydrophobicContact CB-CD2 4.38Å; I40-F56 HydrophobicContact CB-CG 4.31Å; I40-F56 HydrophobicContact CG1-CD1 4.12Å; I40-F56 HydrophobicContact CG1-CD2 4.24Å; I40-F56 HydrophobicContact CG1-CE1 4.14Å; I40-F56 HydrophobicContact CG1-CE2 4.25Å; I40-F56 HydrophobicContact CG1-CG 4.16Å; I40-F56 HydrophobicContact CG1-CZ 4.21Å; I40-F56 HydrophobicContact CG2-CB 3.86Å; I40-F56 HydrophobicContact CG2-CD1 4.39Å; I40-F56 HydrophobicContact CG2-CG 4.03Å; D53-F56 HydrophobicContact CB-CD2 4.06Å; D53-F56 PolarHBondContact O-N 3.44Å; P54-F56 PolarHBondContact O-N 2.85Å; F56-A58 PolarHBondContact O-N 2.88Å; F56-A58 VanDerWaalsContact O-N 3.08Å; F56-K59 PolarHBondContact O-N 3.4Å; F56-A60 HydrophobicContact CB-CB 4.07Å; F56-A60 WeakPolarHBondContact O-CB 3.31Å; F56-A60 PolarHBondContact O-N 2.84Å
57	Q	94.2	Very high	95.8	Very high	133 Å²	133	70.8 Å²	70.8	62%	0.621	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-31	-173.6	-173.1	173	-6.9	0	0	114.4	D53	D53-Q57 PolarHBondContact O-N 3.38Å; D53-Q57 VanDerWaalsContact O-N 3.16Å
58	A	94.3	Very high	95.8	Very high	98 Å²	98	67.4 Å²	67.4	81%	0.81	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-18	177.7	0	0	0	0	0	114.1	F56	F56-A58 PolarHBondContact O-N 2.88Å; F56-A58 VanDerWaalsContact O-N 3.08Å
59	K	95.1	Very high	95.8	Very high	59 Å²	59	66.4 Å²	66.4	26%	0.257	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-28.7	-173.3	-77	-169.9	169.9	-168.6	0	113.7	F56 L75 S76 T79 D82	F56-K59 PolarHBondContact O-N 3.4Å; K59-L75 WeakPolarHBondContact O-CA 3.36Å; K59-S76 PolarHBondContact O-N 2.87Å; K59-S76 PolarHBondContact O-OG 2.85Å; K59-T79 PolarHBondContact NZ-OG1 2.8Å; K59-D82 IonicContact NZ-OD1 3.49Å; K59-D82 PolarHBondContact NZ-OD1 3.44Å; K59-D82 IonicContact NZ-OD2 2.85Å; K59-D82 PolarHBondContact NZ-OD2 2.89Å
60	A	97.1	Very high	95.8	Very high	3 Å²	3	60.9 Å²	60.9	3%	0.025	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	131.3	-170.5	0	0	0	0	0	111.4	I40 Y52 F56 L73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.61Å; Y52-A60 HydrophobicContact CD1-CB 4.36Å; Y52-A60 HydrophobicContact CE1-CB 4.38Å; Y52-A60 WeakPolarHBondContact CE1-O 2.99Å; F56-A60 HydrophobicContact CB-CB 4.07Å; F56-A60 WeakPolarHBondContact O-CB 3.31Å; F56-A60 PolarHBondContact O-N 2.84Å; A60-L73 HydrophobicContact CB-CD1 3.94Å; A60-Q74 WeakPolarHBondContact CA-O 3.23Å; A60-L75 HydrophobicContact CB-CD2 4.07Å
61	T	97.6	Very high	95.7	Very high	78 Å²	78	58.5 Å²	58.5	48%	0.479	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	118.2	168.7	-59.3	0	0	0	0	108.4	T63 Q74	T61-T63 HydrophobicContact CG2-CG2 4.37Å; T61-Q74 PolarHBondContact N-O 2.88Å; T61-Q74 PolarHBondContact O-N 2.93Å
62	T	97.2	Very high	95.7	Very high	4 Å²	4	55.4 Å²	55.4	3%	0.025	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	138.9	174.2	-171.8	0	0	0	0	111.6	W28 V43 T50 Y52 Y72	W28-T62 VanDerWaalsContact CD1-OG1 3.28Å; W28-T62 PolarHBondContact NE1-OG1 2.76Å; V43-T62 HydrophobicContact CB-CG2 3.77Å; V43-T62 HydrophobicContact CG1-CG2 4.38Å; T50-T62 HydrophobicContact CG2-CG2 3.72Å; Y52-T62 HydrophobicContact CE1-CG2 3.72Å; Y52-T62 WeakPolarHBondContact OH-CG2 3.02Å; Y52-T62 PolarHBondContact OH-N 2.88Å; T62-Y72 VanDerWaalsContact CA-O 3.29Å; T62-Y72 WeakPolarHBondContact CA-O 3.29Å; T62-Y72 PolarHBondContact OG1-O 3.36Å; T62-Y72 VanDerWaalsContact OG1-O 3.07Å
63	T	96.6	Very high	95.7	Very high	63 Å²	63	53.3 Å²	53.3	39%	0.387	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	165.8	177.4	55.1	0	0	0	0	109.7	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.37Å; T63-Y72 PolarHBondContact N-O 2.88Å; T63-Y72 PolarHBondContact O-N 2.79Å
64	A	96.3	Very high	95.7	Very high	34 Å²	34	54.3 Å²	54.3	28%	0.281	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	141.4	174	0	0	0	0	0	110.4	V43 P45	V43-A64 HydrophobicContact CG1-CB 4.2Å; V43-A64 HydrophobicContact CG2-CB 4.48Å; P45-A64 HydrophobicContact CB-CB 3.72Å; P45-A64 HydrophobicContact CG-CB 3.84Å
65	D	95.6	Very high	95.7	Very high	54 Å²	54	49.4 Å²	49.4	29%	0.289	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	109.2	168.9	175	7.3	0	0	0	108.8	S67 S68 N69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 3.1Å; D65-S67 WeakPolarHBondContact OD1-CB 3.43Å; D65-S67 PolarHBondContact OD1-N 3.16Å; D65-S67 PolarHBondContact OD1-OG 3.02Å; D65-S67 PolarHBondContact OD2-OG 2.88Å; D65-S68 WeakPolarHBondContact CB-OG 3.26Å; D65-S68 PolarHBondContact OD1-N 2.87Å; D65-S68 WeakPolarHBondContact OD2-CB 3.5Å; D65-S68 PolarHBondContact OD2-OG 3.28Å; D65-N69 PolarHBondContact O-N 3Å; D65-T70 PolarHBondContact N-O 2.97Å; D65-T70 PolarHBondContact O-N 3.03Å; D65-Y72 HydrophobicContact CB-CE2 3.87Å
66	T	94.6	Very high	95.9	Very high	50 Å²	50	44.1 Å²	44.1	31%	0.307	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-17.7	-176.5	64.1	0	0	0	0	112.8	I21 K22 P45	I21-T66 HydrophobicContact CG2-CG2 4.07Å; K22-T66 HydrophobicContact CD-CG2 4.12Å; K22-T66 VanDerWaalsContact CE-CG2 3.4Å; K22-T66 WeakPolarHBondContact CE-OG1 3.43Å; K22-T66 HydrophobicContact CG-CG2 3.55Å; P45-T66 HydrophobicContact CB-CG2 3.99Å; P45-T66 WeakPolarHBondContact O-CG2 3.15Å
67	S	93.7	Very high	95.9	Very high	108 Å²	108	47.2 Å²	47.2	76%	0.755	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-38.2	176.6	72.7	0	0	0	0	111.4	D65	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 3.1Å; D65-S67 WeakPolarHBondContact OD1-CB 3.43Å; D65-S67 PolarHBondContact OD1-N 3.16Å; D65-S67 PolarHBondContact OD1-OG 3.02Å; D65-S67 PolarHBondContact OD2-OG 2.88Å
68	S	95.1	Very high	95.9	Very high	39 Å²	39	41 Å²	41	27%	0.273	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	2.1	177.8	65.4	0	0	0	0	113.8	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.26Å; D65-S68 PolarHBondContact OD1-N 2.87Å; D65-S68 WeakPolarHBondContact OD2-CB 3.5Å; D65-S68 PolarHBondContact OD2-OG 3.28Å; S68-T70 VanDerWaalsContact C-N 3.25Å; S68-T70 PolarHBondContact O-N 3.31Å; S68-T70 PolarHBondContact O-OG1 3.02Å; S68-T70 PolarHBondContact OG-OG1 3.19Å
69	N	94	Very high	95.9	Very high	27 Å²	27	38.8 Å²	38.8	14%	0.144	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	40.6	-178.6	-146.4	50.3	0	0	0	112.8	Y16 F19 I21 D65	Y16-N69 PolarHBondContact N-O 3.5Å; Y16-N69 PolarHBondContact O-ND2 3.35Å; F19-N69 PolarHBondContact O-ND2 2.77Å; I21-N69 WeakPolarHBondContact CB-OD1 3.09Å; I21-N69 WeakPolarHBondContact CG2-OD1 3.2Å; I21-N69 PolarHBondContact N-OD1 3.24Å; D65-N69 PolarHBondContact O-N 3Å
70	T	95.8	Very high	95.8	Very high	10 Å²	10	40.1 Å²	40.1	6%	0.061	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.6	-170.3	-57.5	0	0	0	0	111.2	C14 K15 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.57Å; C14-T70 WeakPolarHBondContact O-CA 3.38Å; K15-T70 HydrophobicContact CB-CG2 4.41Å; D65-T70 PolarHBondContact N-O 2.97Å; D65-T70 PolarHBondContact O-N 3.03Å; S68-T70 VanDerWaalsContact C-N 3.25Å; S68-T70 PolarHBondContact O-N 3.31Å; S68-T70 PolarHBondContact O-OG1 3.02Å; S68-T70 PolarHBondContact OG-OG1 3.19Å; T70-Y72 HydrophobicContact CG2-CD1 4.26Å; T70-Y72 HydrophobicContact CG2-CE1 3.61Å; T70-Y72 HydrophobicContact CG2-CE2 3.95Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.41Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.34Å
71	A	95.7	Very high	95.5	Very high	0 Å²	0	46 Å²	46	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	151.8	169	0	0	0	0	0	110.6	S13 C14 Y16 I21 M26 W28	S13-A71 CarbonylContact C-O 3.57Å; S13-A71 WeakPolarHBondContact CA-O 3.39Å; C14-A71 PolarHBondContact N-O 3.3Å; C14-A71 PolarHBondContact O-N 2.02Å; Y16-A71 HydrophobicContact CE2-CB 4.32Å; I21-A71 HydrophobicContact CD1-CB 4.04Å; M26-A71 HydrophobicContact CB-CB 4.17Å; M26-A71 HydrophobicContact CG-CB 4.13Å; W28-A71 HydrophobicContact CZ2-CB 4.05Å
72	Y	96.9	Very high	95.3	Very high	47 Å²	47	42.6 Å²	42.6	18%	0.184	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	146.5	177.4	-54.9	-82.8	0	0	0	111.8	K11 V12 W28 T62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.23Å; K11-Y72 HydrophobicContact CG-CD1 4.31Å; V12-Y72 CarbonylContact O-C 3.55Å; V12-Y72 VanDerWaalsContact O-CA 3.26Å; V12-Y72 WeakPolarHBondContact O-CA 3.48Å; W28-Y72 VanDerWaalsContact CZ2-C 3.49Å; T62-Y72 VanDerWaalsContact CA-O 3.29Å; T62-Y72 WeakPolarHBondContact CA-O 3.29Å; T62-Y72 PolarHBondContact OG1-O 3.36Å; T62-Y72 VanDerWaalsContact OG1-O 3.07Å; T63-Y72 PolarHBondContact N-O 2.88Å; T63-Y72 PolarHBondContact O-N 2.79Å; D65-Y72 HydrophobicContact CB-CE2 3.87Å; T70-Y72 HydrophobicContact CG2-CD1 4.26Å; T70-Y72 HydrophobicContact CG2-CE1 3.61Å; T70-Y72 HydrophobicContact CG2-CE2 3.95Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.41Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.34Å
73	L	97.7	Very high	95.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	112.6	168.7	173.1	70.3	0	0	0	108	K11 V12 W28 I40 A60 L75 Y86	K11-L73 CarbonylContact C-O 3.42Å; V12-L73 HydrophobicContact CB-CB 4.38Å; V12-L73 PolarHBondContact N-O 2.91Å; V12-L73 PolarHBondContact O-N 2.91Å; W28-L73 HydrophobicContact CB-CD1 4.48Å; W28-L73 HydrophobicContact CB-CD2 4.22Å; W28-L73 HydrophobicContact CD2-CB 3.54Å; W28-L73 HydrophobicContact CD2-CD2 3.99Å; W28-L73 HydrophobicContact CD2-CG 4.25Å; W28-L73 HydrophobicContact CE3-CB 3.8Å; W28-L73 HydrophobicContact CE3-CD2 3.82Å; W28-L73 HydrophobicContact CE3-CG 4.43Å; W28-L73 HydrophobicContact CG-CB 4.02Å; W28-L73 HydrophobicContact CG-CD1 4.27Å; W28-L73 HydrophobicContact CG-CD2 4.17Å; W28-L73 HydrophobicContact CG-CG 4.39Å; W28-L73 HydrophobicContact CH2-CB 4.03Å; W28-L73 HydrophobicContact CZ2-CB 3.81Å; W28-L73 HydrophobicContact CZ3-CB 4.03Å; W28-L73 HydrophobicContact CZ3-CD2 4.48Å; I40-L73 HydrophobicContact CD1-CD2 3.83Å; I40-L73 HydrophobicContact CG2-CD1 4.09Å; A60-L73 HydrophobicContact CB-CD1 3.94Å; L73-L75 HydrophobicContact CD1-CD2 4.26Å; L73-L75 HydrophobicContact CD2-CD1 4.29Å; L73-L75 HydrophobicContact CD2-CD2 4.19Å; L73-L75 HydrophobicContact CD2-CG 4.21Å; L73-L75 HydrophobicContact CG-CD2 4.2Å; L73-L75 HydrophobicContact CG-CG 4.13Å; L73-Y86 HydrophobicContact CD2-CD1 3.91Å
74	Q	97.4	Very high	95.2	Very high	66 Å²	66	41.9 Å²	41.9	31%	0.308	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	125.7	169.1	-173.9	75	47.7	0	0	108.3	V10 K11 A60 T61	V10-Q74 VanDerWaalsContact C-NE2 3.28Å; V10-Q74 CarbonylContact O-C 3.37Å; V10-Q74 WeakPolarHBondContact O-CA 3.43Å; V10-Q74 PolarHBondContact O-NE2 2.8Å; K11-Q74 VanDerWaalsContact CB-OE1 3.29Å; A60-Q74 WeakPolarHBondContact CA-O 3.23Å; T61-Q74 PolarHBondContact N-O 2.88Å; T61-Q74 PolarHBondContact O-N 2.93Å
75	L	96.9	Very high	95.2	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.9	169.8	-60.4	164.6	0	0	0	108.5	S9 V10 K59 A60 L73 L78 Y86 L101	S9-L75 CarbonylContact C-O 3.58Å; S9-L75 WeakPolarHBondContact CA-O 3.4Å; S9-L75 WeakPolarHBondContact CB-O 3.38Å; V10-L75 HydrophobicContact CG1-CB 4.02Å; V10-L75 HydrophobicContact CG1-CD1 4.21Å; V10-L75 PolarHBondContact N-O 3.41Å; V10-L75 PolarHBondContact O-N 3.08Å; K59-L75 WeakPolarHBondContact O-CA 3.36Å; A60-L75 HydrophobicContact CB-CD2 4.07Å; L73-L75 HydrophobicContact CD1-CD2 4.26Å; L73-L75 HydrophobicContact CD2-CD1 4.29Å; L73-L75 HydrophobicContact CD2-CD2 4.19Å; L73-L75 HydrophobicContact CD2-CG 4.21Å; L73-L75 HydrophobicContact CG-CD2 4.2Å; L73-L75 HydrophobicContact CG-CG 4.13Å; L75-L78 HydrophobicContact CB-CD2 3.71Å; L75-L78 HydrophobicContact CD1-CD2 4.32Å; L75-Y86 HydrophobicContact CD1-CD1 3.9Å; L75-Y86 HydrophobicContact CD1-CE1 3.36Å; L75-Y86 HydrophobicContact CD1-CE2 4.26Å; L75-Y86 HydrophobicContact CD2-CE1 4.4Å; L75-Y86 HydrophobicContact CG-CE1 4.49Å; L75-L101 HydrophobicContact CD1-CD1 3.94Å
76	S	96.4	Very high	95.3	Very high	39 Å²	39	39.2 Å²	39.2	27%	0.273	24%	0.235	S	C	.	.			trans	-113.6	157.5	178.9	58.4	0	0	0	0	112.1	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.28Å; K59-S76 PolarHBondContact O-N 2.87Å; K59-S76 PolarHBondContact O-OG 2.85Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 3.06Å
77	S	95.3	Very high	95.3	Very high	75 Å²	75	39 Å²	39	52%	0.524	23%	0.229	S	C	.	.	S	Bend	trans	51	51.4	174.2	-59.3	0	0	0	0	112.7	A8	A8-S77 PolarHBondContact O-N 3.07Å
78	L	95.1	Very high	95.4	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	20%	0.196	C	C	.	.			trans	-61.6	142.1	-174.3	-68.9	174.3	0	0	0	112.4	V4 P6 G7 A8 V10 L75 S76 D82 V103	V4-L78 HydrophobicContact CB-CD1 4.41Å; V4-L78 HydrophobicContact CG2-CD1 3.54Å; P6-L78 CarbonylContact C-O 3.57Å; P6-L78 WeakPolarHBondContact CA-O 3.42Å; G7-L78 PolarHBondContact N-O 2.81Å; A8-L78 WeakPolarHBondContact O-CB 3.26Å; A8-L78 WeakPolarHBondContact O-CG 3.37Å; A8-L78 PolarHBondContact O-N 2.97Å; V10-L78 HydrophobicContact CB-CD1 4.06Å; V10-L78 HydrophobicContact CG1-CD1 3.68Å; V10-L78 HydrophobicContact CG1-CD2 4.49Å; L75-L78 HydrophobicContact CB-CD2 3.71Å; L75-L78 HydrophobicContact CD1-CD2 4.32Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 3.06Å; L78-D82 HydrophobicContact CD2-CB 3.71Å; L78-V103 HydrophobicContact CB-CG1 4.17Å; L78-V103 HydrophobicContact CB-CG2 4.08Å; L78-V103 HydrophobicContact CD1-CG2 4.39Å
79	T	94.6	Very high	95.4	Very high	51 Å²	51	32.7 Å²	32.7	31%	0.313	19%	0.185	S	C	.	.			trans	-123.8	167.5	177.8	58.8	0	0	0	0	110.1	K59 E81 D82 V103	K59-T79 PolarHBondContact NZ-OG1 2.8Å; T79-E81 PolarHBondContact O-N 3.01Å; T79-E81 VanDerWaalsContact O-N 3.14Å; T79-D82 PolarHBondContact N-OD2 2.95Å; T79-D82 WeakPolarHBondContact O-CB 3.38Å; T79-D82 PolarHBondContact O-N 2.85Å; T79-D82 PolarHBondContact OG1-OD2 3.43Å; T79-V103 VanDerWaalsContact O-CB 3.3Å; T79-V103 WeakPolarHBondContact O-CB 3.16Å; T79-V103 WeakPolarHBondContact O-CG1 3.46Å; T79-V103 WeakPolarHBondContact O-CG2 3.49Å
80	S	92.4	Very high	95.2	Very high	87 Å²	87	31.6 Å²	31.6	61%	0.608	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-54.7	-32.5	175.8	50.5	0	0	0	0	112.6	D82 T83	S80-D82 PolarHBondContact O-N 2.88Å; S80-T83 VanDerWaalsContact O-CB 3.24Å; S80-T83 WeakPolarHBondContact O-CB 3.18Å; S80-T83 PolarHBondContact O-N 3.01Å; S80-T83 VanDerWaalsContact O-N 3.11Å; S80-T83 PolarHBondContact O-OG1 3.35Å
81	E	91.1	Very high	94.7	Very high	126 Å²	126	39.5 Å²	39.5	59%	0.589	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-65.2	-17.5	175.4	-60.5	-175.7	-176.7	0	0	114.1	K30 T79	K30-E81 PolarHBondContact NZ-O 2.86Å; T79-E81 PolarHBondContact O-N 3.01Å; T79-E81 VanDerWaalsContact O-N 3.14Å
82	D	93.6	Very high	94.1	Very high	7 Å²	7	46 Å²	46	4%	0.037	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-84.1	-2.1	176.8	-59.3	-52.1	0	0	0	112.3	K30 K59 L78 T79 S80 A84 Y86 V103	K30-D82 IonicContact NZ-OD1 3.4Å; K30-D82 PolarHBondContact NZ-OD1 2.81Å; K59-D82 IonicContact NZ-OD1 3.49Å; K59-D82 PolarHBondContact NZ-OD1 3.44Å; K59-D82 IonicContact NZ-OD2 2.85Å; K59-D82 PolarHBondContact NZ-OD2 2.89Å; L78-D82 HydrophobicContact CD2-CB 3.71Å; T79-D82 PolarHBondContact N-OD2 2.95Å; T79-D82 WeakPolarHBondContact O-CB 3.38Å; T79-D82 PolarHBondContact O-N 2.85Å; T79-D82 PolarHBondContact OG1-OD2 3.43Å; S80-D82 PolarHBondContact O-N 2.88Å; D82-A84 PolarHBondContact O-N 2.82Å; D82-Y86 WeakPolarHBondContact O-CE2 3.35Å; D82-Y86 PolarHBondContact O-OH 2.8Å; D82-V103 HydrophobicContact CB-CG2 4.24Å
83	T	95.1	Very high	93.3	Very high	47 Å²	47	50.2 Å²	50.2	29%	0.288	26%	0.262	S	S	.	.			trans	-64.6	112.5	169.2	-61.9	0	0	0	0	110.3	S80 L101 T102 V103	S80-T83 VanDerWaalsContact O-CB 3.24Å; S80-T83 WeakPolarHBondContact O-CB 3.18Å; S80-T83 PolarHBondContact O-N 3.01Å; S80-T83 VanDerWaalsContact O-N 3.11Å; S80-T83 PolarHBondContact O-OG1 3.35Å; T83-L101 VanDerWaalsContact CA-O 3.29Å; T83-L101 WeakPolarHBondContact CA-O 3.35Å; T83-T102 HydrophobicContact CG2-CG2 4.39Å; T83-V103 PolarHBondContact OG1-N 2.89Å
84	A	95.9	Very high	92.8	Very high	5 Å²	5	53 Å²	53	4%	0.041	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	172.5	-172.3	0	0	0	0	0	110.9	K30 Q31 R32 D82 Y86 L101	K30-A84 HydrophobicContact CD-CB 4.16Å; K30-A84 HydrophobicContact CG-CB 3.51Å; Q31-A84 WeakPolarHBondContact O-CA 3.47Å; Q31-A84 VanDerWaalsContact O-CB 3.26Å; Q31-A84 WeakPolarHBondContact O-CB 3.31Å; R32-A84 HydrophobicContact CG-CB 4.1Å; D82-A84 PolarHBondContact O-N 2.82Å; A84-Y86 HydrophobicContact CB-CD2 4.28Å; A84-Y86 HydrophobicContact CB-CE2 3.71Å; A84-L101 PolarHBondContact N-O 3.49Å; A84-L101 PolarHBondContact O-N 2.6Å
85	V	96.4	Very high	92.5	Very high	31 Å²	31	55.6 Å²	55.6	19%	0.188	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	129.7	162.4	-168.8	0	0	0	0	108.8	Q31 Y87 T100	Q31-V85 PolarHBondContact N-O 3.45Å; Q31-V85 PolarHBondContact O-N 2.85Å; V85-Y87 HydrophobicContact CB-CD2 4.5Å; V85-Y87 HydrophobicContact CB-CE2 3.69Å; V85-Y87 HydrophobicContact CG1-CD2 4.2Å; V85-Y87 HydrophobicContact CG1-CE1 4.02Å; V85-Y87 HydrophobicContact CG1-CE2 3.49Å; V85-Y87 VanDerWaalsContact CG1-CE2 3.49Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.26Å; V85-T100 HydrophobicContact CG2-CG2 4.48Å
86	Y	96.8	Very high	92.2	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.008	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	121.5	-179.8	-68.5	-99.3	0	0	0	109.6	V29 K30 I40 L73 L75 D82 A84 G98 T99 L101	V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.42Å; K30-Y86 HydrophobicContact CB-CD1 4.38Å; K30-Y86 HydrophobicContact CB-CE1 4.15Å; K30-Y86 HydrophobicContact CD-CE1 4.15Å; K30-Y86 HydrophobicContact CG-CE1 3.96Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.9Å; L73-Y86 HydrophobicContact CD2-CD1 3.91Å; L75-Y86 HydrophobicContact CD1-CD1 3.9Å; L75-Y86 HydrophobicContact CD1-CE1 3.36Å; L75-Y86 HydrophobicContact CD1-CE2 4.26Å; L75-Y86 HydrophobicContact CD2-CE1 4.4Å; L75-Y86 HydrophobicContact CG-CE1 4.49Å; D82-Y86 WeakPolarHBondContact O-CE2 3.35Å; D82-Y86 PolarHBondContact O-OH 2.8Å; A84-Y86 HydrophobicContact CB-CD2 4.28Å; A84-Y86 HydrophobicContact CB-CE2 3.71Å; Y86-G98 CarbonylContact O-C 3.46Å; Y86-G98 VanDerWaalsContact O-CA 3.31Å; Y86-G98 WeakPolarHBondContact O-CA 3.17Å; Y86-T99 PolarHBondContact N-O 2.93Å; Y86-T99 PolarHBondContact O-N 3.48Å; Y86-L101 HydrophobicContact CD2-CB 4Å; Y86-L101 HydrophobicContact CD2-CD1 3.53Å; Y86-L101 HydrophobicContact CD2-CG 4.01Å; Y86-L101 HydrophobicContact CE2-CB 3.79Å; Y86-L101 HydrophobicContact CE2-CD1 3.56Å; Y86-L101 HydrophobicContact CE2-CG 4.15Å; Y86-L101 HydrophobicContact CG-CD1 4.19Å
87	Y	96.3	Very high	92	Very high	46 Å²	46	63.5 Å²	63.5	18%	0.18	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	144.5	-178.9	-63.1	-86	0	0	0	110.7	W28 V29 Q31 V85 W95 G96 G98	W28-Y87 WeakPolarHBondContact CA-O 3.1Å; V29-Y87 PolarHBondContact N-O 2.95Å; V29-Y87 PolarHBondContact O-N 3.23Å; Q31-Y87 HydrophobicContact CB-CD2 4.2Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.29Å; Q31-Y87 PolarHBondContact OE1-OH 3.23Å; V85-Y87 HydrophobicContact CB-CD2 4.5Å; V85-Y87 HydrophobicContact CB-CE2 3.69Å; V85-Y87 HydrophobicContact CG1-CD2 4.2Å; V85-Y87 HydrophobicContact CG1-CE1 4.02Å; V85-Y87 HydrophobicContact CG1-CE2 3.49Å; V85-Y87 VanDerWaalsContact CG1-CE2 3.49Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.26Å; Y87-W95 HydrophobicContact CD1-CE3 4.29Å; Y87-W95 HydrophobicContact CG-CE3 4.02Å; Y87-W95 HydrophobicContact CG-CZ3 4.16Å; Y87-G96 WeakPolarHBondContact CD1-O 3.39Å; Y87-G98 VanDerWaalsContact CD1-CA 3.46Å
88	C	95.4	Very high	91.9	Very high	8 Å²	8	61.2 Å²	61.2	5%	0.054	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	146.7	160.5	54.6	0	0	0	0	109.2	C14 Y16 Y27 W28 G96	C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.22Å; C14-C88 WeakPolarHBondContact SG-CB 3.36Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.81Å; Y16-C88 WeakPolarHBondContact OH-CB 3.29Å; Y27-C88 CarbonylContact O-C 3.55Å; Y27-C88 VanDerWaalsContact O-CA 3.27Å; Y27-C88 WeakPolarHBondContact O-CA 3.3Å; W28-C88 HydrophobicContact CE3-CB 4.11Å; W28-C88 HydrophobicContact CH2-CB 4.07Å; W28-C88 HydrophobicContact CZ2-CB 4.43Å; W28-C88 HydrophobicContact CZ3-CB 3.89Å; C88-G96 PolarHBondContact O-N 2.78Å
89	A	94.3	Very high	91.9	Very high	5 Å²	5	63.2 Å²	63.2	4%	0.041	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	164.5	172.5	0	0	0	0	0	111.2	Y16 Y27 S94 W95	Y16-A89 PolarHBondContact OH-O 3.37Å; Y27-A89 PolarHBondContact N-O 2.87Å; Y27-A89 PolarHBondContact O-N 2.88Å; A89-S94 VanDerWaalsContact CA-O 3.23Å; A89-S94 WeakPolarHBondContact CA-O 3.49Å; A89-W95 HydrophobicContact CB-CD2 4.05Å; A89-W95 HydrophobicContact CB-CE3 4.36Å; A89-W95 HydrophobicContact CB-CG 4.39Å; A89-W95 HydrophobicContact CB-CZ2 4.47Å
90	N	90.4	Very high	91.9	Very high	5 Å²	5	63.5 Å²	63.5	3%	0.027	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	-179.7	172.7	71.2	10	0	0	0	111.3	T24 M26 F92 D93 S94	T24-N90 HydrophobicContact CG2-CB 4.31Å; M26-N90 HydrophobicContact CE-CB 3.42Å; M26-N90 VanDerWaalsContact CE-CB 3.42Å; N90-F92 PolarHBondContact O-N 3.48Å; N90-F92 WeakPolarHBondContact OD1-CA 3.47Å; N90-F92 PolarHBondContact OD1-N 2.84Å; N90-D93 PolarHBondContact O-N 3.11Å; N90-S94 PolarHBondContact N-O 2.81Å; N90-S94 VanDerWaalsContact OD1-CB 3.31Å; N90-S94 WeakPolarHBondContact OD1-CB 3.5Å; N90-S94 PolarHBondContact OD1-N 3.06Å
91	W	84.2	Confident	92	Very high	175 Å²	175	59.4 Å²	59.4	66%	0.663	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-21.3	178.3	-174.7	-91.6	0	0	0	113.9	T24 Y27 D93	T24-W91 PolarHBondContact OG1-N 3.45Å; Y27-W91 VanDerWaalsContact OH-CE3 3.3Å; W91-D93 PolarHBondContact O-N 2.77Å
92	F	83.3	Confident	92.2	Very high	138 Å²	138	55.8 Å²	55.8	61%	0.605	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	21.2	-179.3	-57.9	-71.7	0	0	0	112.9	N90 S94	N90-F92 PolarHBondContact O-N 3.48Å; N90-F92 WeakPolarHBondContact OD1-CA 3.47Å; N90-F92 PolarHBondContact OD1-N 2.84Å; F92-S94 PolarHBondContact O-N 2.9Å
93	D	81	Confident	92.3	Very high	134 Å²	134	55.8 Å²	55.8	72%	0.717	29%	0.288	S	S	*	.			trans	51.3	28.2	-175.1	-67.1	-39.1	0	0	0	113.9	N90 W91 W95	N90-D93 PolarHBondContact O-N 3.11Å; W91-D93 PolarHBondContact O-N 2.77Å; D93-W95 VanDerWaalsContact O-CD1 3.28Å
94	S	86.8	Confident	92.1	Very high	59 Å²	59	56 Å²	56	41%	0.413	29%	0.291	S	S	.	.			trans	-85.7	122.8	171.2	-55.5	0	0	0	0	109.2	A89 N90 F92	A89-S94 VanDerWaalsContact CA-O 3.23Å; A89-S94 WeakPolarHBondContact CA-O 3.49Å; N90-S94 PolarHBondContact N-O 2.81Å; N90-S94 VanDerWaalsContact OD1-CB 3.31Å; N90-S94 WeakPolarHBondContact OD1-CB 3.5Å; N90-S94 PolarHBondContact OD1-N 3.06Å; F92-S94 PolarHBondContact O-N 2.9Å
95	W	91.6	Very high	91.2	Very high	120 Å²	120	63.3 Å²	63.3	46%	0.455	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-105.3	140.3	179.6	-70.7	73.4	0	0	0	110.9	V29 L37 Y87 A89 D93	V29-W95 HydrophobicContact CB-CH2 4.19Å; V29-W95 HydrophobicContact CB-CZ3 3.98Å; V29-W95 HydrophobicContact CG1-CH2 4.11Å; V29-W95 HydrophobicContact CG1-CZ3 4.12Å; V29-W95 HydrophobicContact CG2-CH2 3.88Å; V29-W95 HydrophobicContact CG2-CZ3 4.05Å; L37-W95 HydrophobicContact CD1-CH2 3.89Å; L37-W95 HydrophobicContact CD1-CZ3 4.49Å; Y87-W95 HydrophobicContact CD1-CE3 4.29Å; Y87-W95 HydrophobicContact CG-CE3 4.02Å; Y87-W95 HydrophobicContact CG-CZ3 4.16Å; A89-W95 HydrophobicContact CB-CD2 4.05Å; A89-W95 HydrophobicContact CB-CE3 4.36Å; A89-W95 HydrophobicContact CB-CG 4.39Å; A89-W95 HydrophobicContact CB-CZ2 4.47Å; D93-W95 VanDerWaalsContact O-CD1 3.28Å
96	G	90.9	Very high	91	Very high	22 Å²	22	64.9 Å²	64.9	23%	0.227	35%	0.349	C	S	.	.			trans	-70.3	165.5	167.2	0	0	0	0	0	111.9	Y87 C88 G98	Y87-G96 WeakPolarHBondContact CD1-O 3.39Å; C88-G96 PolarHBondContact O-N 2.78Å; G96-G98 PolarHBondContact O-N 3.04Å; G96-G98 VanDerWaalsContact O-N 3.11Å
97	Q	91.2	Very high	90.7	Very high	187 Å²	187	68.2 Å²	68.2	87%	0.874	37%	0.367	S	S	*	.			trans	-62.5	-18.9	178.3	-65.8	-65.1	-53.1	0	0	113.6
98	G	93.4	Very high	90.4	Very high	27 Å²	27	69.4 Å²	69.4	28%	0.278	38%	0.378	S	S	.	.			trans	85	147.5	-176.7	0	0	0	0	0	112.7	Y86 Y87 G96	Y86-G98 CarbonylContact O-C 3.46Å; Y86-G98 VanDerWaalsContact O-CA 3.31Å; Y86-G98 WeakPolarHBondContact O-CA 3.17Å; Y87-G98 VanDerWaalsContact CD1-CA 3.46Å; G96-G98 PolarHBondContact O-N 3.04Å; G96-G98 VanDerWaalsContact O-N 3.11Å
99	T	95.1	Very high	90.1	Very high	45 Å²	45	73.1 Å²	73.1	28%	0.276	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	112.9	176.1	-61.5	0	0	0	0	108.8	V12 Y86 L101	V12-T99 HydrophobicContact CG1-CG2 4.27Å; Y86-T99 PolarHBondContact N-O 2.93Å; Y86-T99 PolarHBondContact O-N 3.48Å; T99-L101 PolarHBondContact O-N 3.32Å
100	T	95.8	Very high	89.8	Confident	58 Å²	58	77.3 Å²	77.3	36%	0.356	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	121.5	172.2	-47	0	0	0	0	109.8	A1 E2 V85	A1-T100 CarbonylContact C-O 3.53Å; A1-T100 WeakPolarHBondContact CA-O 3.46Å; A1-T100 HydrophobicContact CB-CG2 4.31Å; E2-T100 PolarHBondContact N-O 2.98Å; V85-T100 HydrophobicContact CG2-CG2 4.48Å
101	L	94.5	Very high	89.8	Confident	1 Å²	1	82.1 Å²	82.1	1%	0.005	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.2	170.1	-76.2	170.8	0	0	0	109.1	E2 V10 V12 L75 T83 A84 Y86 T99	E2-L101 HydrophobicContact CB-CD2 3.77Å; E2-L101 HydrophobicContact CG-CD2 4.16Å; V10-L101 HydrophobicContact CB-CD2 4.42Å; V10-L101 HydrophobicContact CG1-CD1 3.67Å; V10-L101 HydrophobicContact CG1-CD2 4.07Å; V10-L101 HydrophobicContact CG2-CD2 3.82Å; V12-L101 HydrophobicContact CG2-CD1 3.71Å; L75-L101 HydrophobicContact CD1-CD1 3.94Å; T83-L101 VanDerWaalsContact CA-O 3.29Å; T83-L101 WeakPolarHBondContact CA-O 3.35Å; A84-L101 PolarHBondContact N-O 3.49Å; A84-L101 PolarHBondContact O-N 2.6Å; Y86-L101 HydrophobicContact CD2-CB 4Å; Y86-L101 HydrophobicContact CD2-CD1 3.53Å; Y86-L101 HydrophobicContact CD2-CG 4.01Å; Y86-L101 HydrophobicContact CE2-CB 3.79Å; Y86-L101 HydrophobicContact CE2-CD1 3.56Å; Y86-L101 HydrophobicContact CE2-CG 4.15Å; Y86-L101 HydrophobicContact CG-CD1 4.19Å; T99-L101 PolarHBondContact O-N 3.32Å
102	T	95.3	Very high	90.2	Very high	49 Å²	49	75.5 Å²	75.5	30%	0.301	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.1	175.9	-56.8	0	0	0	0	109	E2 L3 V4 T83	E2-T102 PolarHBondContact O-N 3.35Å; L3-T102 WeakPolarHBondContact CA-O 3.39Å; L3-T102 HydrophobicContact CD1-CG2 3.71Å; V4-T102 PolarHBondContact N-O 3.44Å; T83-T102 HydrophobicContact CG2-CG2 4.39Å
103	V	93.8	Very high	90.7	Very high	7 Å²	7	70.7 Å²	70.7	4%	0.042	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	106.3	179.1	-169.2	0	0	0	0	109	V4 P6 L78 T79 D82 T83	V4-V103 HydrophobicContact CG2-CB 4.27Å; V4-V103 HydrophobicContact CG2-CG1 4.32Å; V4-V103 HydrophobicContact CG2-CG2 3.74Å; V4-V103 WeakPolarHBondContact O-CA 3.21Å; P6-V103 HydrophobicContact CB-CG1 4.48Å; P6-V103 HydrophobicContact CG-CG1 4.21Å; L78-V103 HydrophobicContact CB-CG1 4.17Å; L78-V103 HydrophobicContact CB-CG2 4.08Å; L78-V103 HydrophobicContact CD1-CG2 4.39Å; T79-V103 VanDerWaalsContact O-CB 3.3Å; T79-V103 WeakPolarHBondContact O-CB 3.16Å; T79-V103 WeakPolarHBondContact O-CG1 3.46Å; T79-V103 WeakPolarHBondContact O-CG2 3.49Å; D82-V103 HydrophobicContact CB-CG2 4.24Å; T83-V103 PolarHBondContact OG1-N 2.89Å
104	S	91.1	Very high	91.5	Very high	53 Å²	53	65.4 Å²	65.4	37%	0.371	39%	0.391	S	S	.	.			trans	-143.3	151.2	179.6	69.1	0	0	0	0	111.9	L3 V4	L3-S104 WeakPolarHBondContact CD1-OG 3.38Å; V4-S104 PolarHBondContact O-N 2.62Å
105	S	78.8	Confident	91.9	Very high	157 Å²	157	66 Å²	66	100%	1.098	39%	0.389	S	S	*	.			trans	-75.1	0	174.5	57.3	0	0	0	0	112.5

Retrieved 105 of 105 residues in 54.8 ms (Link to these results)

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