A0A075B5U9_MOUSE Loading...

Immunoglobulin heavy variable V1-24

AlphaFold DB , UniProt , Accession A0A075B5U9, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-24, Length 98 aa.

						>A0A075B5U9_MOUSE|A0A075B5U9|Ighv1-24
EVRLQQSGPKVVNAGASVKLSCKSSGYSFSRYKMECVKQSHGKSLEWIEHINLFKGVTNYNGKFKSKATLTVDISSSTAYMELSRLTSEDSEVYYCAR
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	E	89.1	Confident	95.3	Very high	169 Å²	169	103.5 Å²	103.5	79%	0.79	55%	0.553	S	S	*	*				0	137.4	0	-167.9	-171.9	145.8	0	0	108.8	R3 G26	E1-R3 VanDerWaalsContact CD-NE 3.26Å; E1-R3 VanDerWaalsContact CD-NH2 3.29Å; E1-R3 HydrophobicContact CG-CG 4.45Å; E1-R3 IonicContact OE1-CZ 2.91Å; E1-R3 IonicContact OE1-NE 3.12Å; E1-R3 PolarHBondContact OE1-NE 3.2Å; E1-R3 IonicContact OE1-NH2 3.4Å; E1-R3 PolarHBondContact OE1-NH2 3.28Å; E1-R3 VanDerWaalsContact OE1-NH2 3.12Å; E1-R3 IonicContact OE2-CZ 2.7Å; E1-R3 IonicContact OE2-NE 2.76Å; E1-R3 PolarHBondContact OE2-NE 3.02Å; E1-R3 IonicContact OE2-NH2 3.45Å; E1-R3 PolarHBondContact OE2-NH2 3.37Å; E1-G26 WeakPolarHBondContact O-CA 3.32Å
2	V	93.2	Very high	95.3	Very high	74 Å²	74	100.3 Å²	100.3	45%	0.448	54%	0.54	S	S	.	.			trans	-86	129	178.1	169.1	0	0	0	0	109	Y27 R98	V2-Y27 HydrophobicContact CG1-CD1 3.91Å; V2-Y27 HydrophobicContact CG1-CE1 4.23Å; V2-R98 VanDerWaalsContact CG2-NH1 3.3Å
3	R	95.9	Very high	95.3	Very high	136 Å²	136	103.2 Å²	103.2	51%	0.513	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-138.9	143.7	178.4	-65.6	-174	177.8	177.3	4.4	112.7	E1 S24 S25	E1-R3 VanDerWaalsContact CD-NE 3.26Å; E1-R3 VanDerWaalsContact CD-NH2 3.29Å; E1-R3 HydrophobicContact CG-CG 4.45Å; E1-R3 IonicContact OE1-CZ 2.91Å; E1-R3 IonicContact OE1-NE 3.12Å; E1-R3 PolarHBondContact OE1-NE 3.2Å; E1-R3 IonicContact OE1-NH2 3.4Å; E1-R3 PolarHBondContact OE1-NH2 3.28Å; E1-R3 VanDerWaalsContact OE1-NH2 3.12Å; E1-R3 IonicContact OE2-CZ 2.7Å; E1-R3 IonicContact OE2-NE 2.76Å; E1-R3 PolarHBondContact OE2-NE 3.02Å; E1-R3 IonicContact OE2-NH2 3.45Å; E1-R3 PolarHBondContact OE2-NH2 3.37Å; R3-S24 WeakPolarHBondContact O-CA 3.47Å; R3-S25 PolarHBondContact N-O 3.31Å; R3-S25 PolarHBondContact O-N 3.19Å
4	L	96.1	Very high	95.3	Very high	56 Å²	56	102.5 Å²	102.5	29%	0.293	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.3	120	166.8	-66.2	-177.4	0	0	0	108.1	Y27 M34 R98	L4-Y27 HydrophobicContact CD2-CE1 4.27Å; L4-M34 HydrophobicContact CD2-CE 3.8Å; L4-R98 HydrophobicContact CD1-CB 4.29Å; L4-R98 HydrophobicContact CD1-CG 4.21Å
5	Q	97.4	Very high	95.3	Very high	145 Å²	145	99.3 Å²	99.3	68%	0.678	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-116.1	110	-177.9	-171.6	143.7	38.1	0	0	110.3	C22 K23	Q5-C22 WeakPolarHBondContact O-CA 3.24Å; Q5-K23 PolarHBondContact N-O 2.78Å; Q5-K23 PolarHBondContact O-N 3.09Å
6	Q	97.3	Very high	95.4	Very high	66 Å²	66	95.2 Å²	95.2	31%	0.308	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.4	154	179.1	-72.7	-177.7	-115.7	0	0	112.5	S21 C22 Y94 Y95 C96	Q6-S21 CarbonylContact C-O 3.54Å; Q6-S21 WeakPolarHBondContact CA-O 3.1Å; Q6-C22 HydrophobicContact CG-CB 4.12Å; Q6-Y94 PolarHBondContact NE2-O 3.5Å; Q6-Y95 VanDerWaalsContact OE1-CA 3.31Å; Q6-C96 VanDerWaalsContact CD-SG 3.58Å; Q6-C96 HydrophobicContact CG-CB 4.45Å; Q6-C96 WeakPolarHBondContact CG-SG 3.48Å
7	S	96.4	Very high	95.5	Very high	32 Å²	32	93.3 Å²	93.3	22%	0.224	55%	0.545	C	S	.	.	P	Polyproline II helix	trans	-56	145.7	163.8	52.7	0	0	0	0	110.1	L20 S21	S7-L20 WeakPolarHBondContact OG-CA 3.3Å; S7-S21 WeakPolarHBondContact CB-OG 3.12Å; S7-S21 PolarHBondContact N-O 2.8Å; S7-S21 PolarHBondContact OG-N 2.87Å
8	G	96	Very high	95.6	Very high	47 Å²	47	89.1 Å²	89.1	49%	0.485	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-61.3	173.3	174.3	0	0	0	0	0	113.6
9	P	95.7	Very high	95.6	Very high	136 Å²	136	90.2 Å²	90.2	88%	0.883	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-57.2	147.3	-178.9	25	-34.3	0	0	0	111.7
10	K	95.6	Very high	95.7	Very high	128 Å²	128	86.8 Å²	86.8	56%	0.557	50%	0.498	S	S	*	.			trans	-126.6	132.6	-179.8	-63.1	-65.9	-175.3	177	0	109.3	V18 L20	K10-V18 HydrophobicContact CB-CG2 3.77Å; K10-V18 HydrophobicContact CG-CG2 3.82Å; K10-L20 HydrophobicContact CB-CD2 4.44Å; K10-L20 HydrophobicContact CG-CD2 3.71Å
11	V	95.9	Very high	95.8	Very high	150 Å²	150	84.6 Å²	84.6	91%	0.909	49%	0.488	S	S	*	.			trans	-110.9	127.1	170.5	-177.9	0	0	0	0	107.2
12	V	95.5	Very high	96.2	Very high	64 Å²	64	76.8 Å²	76.8	39%	0.388	45%	0.452	S	S	.	.			trans	-139.5	157.1	-177.2	-61	0	0	0	0	109.8	A16 V18 L86	V12-A16 HydrophobicContact CB-CB 4.13Å; V12-A16 HydrophobicContact CG2-CB 4.43Å; V12-V18 HydrophobicContact CG1-CB 4.3Å; V12-V18 HydrophobicContact CG1-CG2 4.23Å; V12-L86 HydrophobicContact CG2-CD1 3.5Å
13	N	95.1	Very high	96.4	Very high	139 Å²	139	79.2 Å²	79.2	74%	0.743	46%	0.457	S	S	*	.			trans	-73.1	154.4	176.6	-66.7	-28.3	0	0	0	111.3	G15 A16	N13-G15 PolarHBondContact O-N 3.2Å; N13-A16 WeakPolarHBondContact O-CB 3.45Å; N13-A16 PolarHBondContact O-N 2.89Å; N13-A16 VanDerWaalsContact O-N 3.09Å
14	A	94.7	Very high	96.4	Very high	93 Å²	93	73 Å²	73	77%	0.769	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	140.4	170.7	0	0	0	0	0	111	A16	A14-A16 PolarHBondContact O-N 3Å
15	G	95.7	Very high	96.4	Very high	54 Å²	54	73.3 Å²	73.3	56%	0.557	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-13.4	-174.5	0	0	0	0	0	114.7	N13 L86	N13-G15 PolarHBondContact O-N 3.2Å; G15-L86 PolarHBondContact N-O 3.45Å
16	A	97.1	Very high	96.3	Very high	34 Å²	34	69 Å²	69	28%	0.281	44%	0.435	S	S	.	.			trans	-71.1	168	176.3	0	0	0	0	0	112.1	V12 N13 A14 R85 L86	V12-A16 HydrophobicContact CB-CB 4.13Å; V12-A16 HydrophobicContact CG2-CB 4.43Å; N13-A16 WeakPolarHBondContact O-CB 3.45Å; N13-A16 PolarHBondContact O-N 2.89Å; N13-A16 VanDerWaalsContact O-N 3.09Å; A14-A16 PolarHBondContact O-N 3Å; A16-R85 PolarHBondContact O-N 3.49Å; A16-L86 WeakPolarHBondContact O-CB 3.34Å; A16-L86 WeakPolarHBondContact O-CG 3.47Å; A16-L86 PolarHBondContact O-N 3.36Å
17	S	96.6	Very high	96.1	Very high	63 Å²	63	67.6 Å²	67.6	44%	0.441	43%	0.427	S	S	.	.			trans	-114.2	148.8	170.3	-52.8	0	0	0	0	109.5	L83 S84	S17-L83 CarbonylContact C-O 3.52Å; S17-L83 WeakPolarHBondContact CA-O 3.38Å; S17-L83 VanDerWaalsContact CB-O 3.3Å; S17-L83 WeakPolarHBondContact CB-O 3.48Å; S17-S84 WeakPolarHBondContact OG-CA 3.46Å
18	V	96.9	Very high	96	Very high	18 Å²	18	69 Å²	69	11%	0.109	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.9	176.8	74.6	0	0	0	0	110	K10 V12 L20 E82 L83 L86	K10-V18 HydrophobicContact CB-CG2 3.77Å; K10-V18 HydrophobicContact CG-CG2 3.82Å; V12-V18 HydrophobicContact CG1-CB 4.3Å; V12-V18 HydrophobicContact CG1-CG2 4.23Å; V18-L20 HydrophobicContact CG1-CG 4.41Å; V18-L20 HydrophobicContact CG2-CD2 4.2Å; V18-E82 WeakPolarHBondContact O-CA 3.1Å; V18-L83 HydrophobicContact CG1-CB 4.09Å; V18-L83 HydrophobicContact CG1-CD1 4.15Å; V18-L83 HydrophobicContact CG1-CG 4.49Å; V18-L83 PolarHBondContact N-O 3.49Å; V18-L83 PolarHBondContact O-N 3.48Å; V18-L86 HydrophobicContact CB-CD1 4.09Å; V18-L86 HydrophobicContact CG1-CD1 3.78Å
19	K	96.7	Very high	95.9	Very high	109 Å²	109	67.1 Å²	67.1	47%	0.474	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	118.1	172.6	-170.4	171.4	-176.4	168.8	0	109.4	Y80	K19-Y80 HydrophobicContact CD-CD1 4.42Å; K19-Y80 VanDerWaalsContact CE-CB 3.41Å; K19-Y80 HydrophobicContact CG-CD1 4.31Å
20	L	96.8	Very high	95.8	Very high	23 Å²	23	62.7 Å²	62.7	12%	0.12	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	136.7	177.9	-60.9	175.9	0	0	0	109	S7 K10 V18 Y80 M81	S7-L20 WeakPolarHBondContact OG-CA 3.3Å; K10-L20 HydrophobicContact CB-CD2 4.44Å; K10-L20 HydrophobicContact CG-CD2 3.71Å; V18-L20 HydrophobicContact CG1-CG 4.41Å; V18-L20 HydrophobicContact CG2-CD2 4.2Å; L20-Y80 CarbonylContact O-C 3.51Å; L20-Y80 VanDerWaalsContact O-CA 3.22Å; L20-Y80 WeakPolarHBondContact O-CA 3.27Å; L20-M81 HydrophobicContact CB-CE 4.37Å; L20-M81 HydrophobicContact CD1-CE 3.54Å; L20-M81 HydrophobicContact CG-CE 4.41Å; L20-M81 PolarHBondContact N-O 3.21Å; L20-M81 PolarHBondContact O-N 3.36Å
21	S	97.6	Very high	95.7	Very high	40 Å²	40	64 Å²	64	28%	0.28	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	147.4	178.5	62.9	0	0	0	0	110.9	Q6 S7 A79	Q6-S21 CarbonylContact C-O 3.54Å; Q6-S21 WeakPolarHBondContact CA-O 3.1Å; S7-S21 WeakPolarHBondContact CB-OG 3.12Å; S7-S21 PolarHBondContact N-O 2.8Å; S7-S21 PolarHBondContact OG-N 2.87Å; S21-A79 CarbonylContact C-O 3.44Å; S21-A79 WeakPolarHBondContact CA-O 3.14Å
22	C	97.3	Very high	95.6	Very high	5 Å²	5	61.5 Å²	61.5	3%	0.034	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	102.5	170.6	177.3	0	0	0	0	109.1	Q5 Q6 T78 A79 C96	Q5-C22 WeakPolarHBondContact O-CA 3.24Å; Q6-C22 HydrophobicContact CG-CB 4.12Å; C22-T78 WeakPolarHBondContact O-CA 3.49Å; C22-A79 PolarHBondContact N-O 2.8Å; C22-A79 PolarHBondContact O-N 2.78Å; C22-C96 HydrophobicContact CB-CB 3.48Å; C22-C96 VanDerWaalsContact CB-CB 3.48Å; C22-C96 WeakPolarHBondContact CB-SG 3.36Å; C22-C96 WeakPolarHBondContact SG-CB 3.48Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 3.22Å
23	K	97.4	Very high	95.5	Very high	126 Å²	126	62.2 Å²	62.2	55%	0.548	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.5	178.4	-173.5	171.3	-175.9	176.4	0	109.7	Q5	Q5-K23 PolarHBondContact N-O 2.78Å; Q5-K23 PolarHBondContact O-N 3.09Å
24	S	96.7	Very high	95.6	Very high	6 Å²	6	55.6 Å²	55.6	4%	0.042	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	148.6	178.2	68.5	0	0	0	0	111.8	R3 Y27 F29 S77	R3-S24 WeakPolarHBondContact O-CA 3.47Å; S24-Y27 WeakPolarHBondContact CB-OH 3.39Å; S24-F29 WeakPolarHBondContact OG-CD2 3.19Å; S24-F29 WeakPolarHBondContact OG-CG 3.46Å; S24-S77 PolarHBondContact N-O 3.19Å; S24-S77 WeakPolarHBondContact OG-CB 3.44Å; S24-S77 PolarHBondContact OG-O 3.01Å
25	S	96.5	Very high	95.7	Very high	61 Å²	61	53.9 Å²	53.9	43%	0.427	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	158	173.8	60.2	0	0	0	0	111.8	R3 Y27	R3-S25 PolarHBondContact N-O 3.31Å; R3-S25 PolarHBondContact O-N 3.19Å; S25-Y27 WeakPolarHBondContact O-CD1 3.49Å
26	G	95.8	Very high	95.6	Very high	54 Å²	54	51.6 Å²	51.6	56%	0.557	28%	0.279	S	S	*	.	S	Bend	trans	81.8	12.1	177.7	0	0	0	0	0	115.6	E1	E1-G26 WeakPolarHBondContact O-CA 3.32Å
27	Y	93.3	Very high	95.6	Very high	37 Å²	37	51 Å²	51	15%	0.145	27%	0.271	C	S	.	.	S	Bend	trans	-155.5	167.7	172.4	68.4	-81.9	0	0	0	111	V2 L4 S24 S25 F29 Y32 R98	V2-Y27 HydrophobicContact CG1-CD1 3.91Å; V2-Y27 HydrophobicContact CG1-CE1 4.23Å; L4-Y27 HydrophobicContact CD2-CE1 4.27Å; S24-Y27 WeakPolarHBondContact CB-OH 3.39Å; S25-Y27 WeakPolarHBondContact O-CD1 3.49Å; Y27-F29 HydrophobicContact CE2-CD2 4.4Å; Y27-F29 PolarHBondContact O-N 3.18Å; Y27-F29 VanDerWaalsContact O-N 3.12Å; Y27-Y32 AromaticContact CD2-CD2 3.4Å; Y27-Y32 HydrophobicContact CD2-CD2 3.4Å; Y27-Y32 AromaticContact CD2-CE2 3.84Å; Y27-Y32 HydrophobicContact CD2-CE2 3.84Å; Y27-Y32 HydrophobicContact CD2-CG 4.15Å; Y27-Y32 AromaticContact CE2-CD2 3.82Å; Y27-Y32 HydrophobicContact CE2-CD2 3.82Å; Y27-Y32 HydrophobicContact CE2-CG 4.19Å; Y27-Y32 HydrophobicContact CG-CD2 4.47Å; Y27-R98 VanDerWaalsContact CG-NH1 3.27Å
28	S	93.7	Very high	95.5	Very high	63 Å²	63	48.6 Å²	48.6	44%	0.441	25%	0.253	S	S	.	.			trans	-75.8	97.4	174.6	-175.2	0	0	0	0	110.1	S30 R31 Y32	S28-S30 VanDerWaalsContact C-N 3.26Å; S28-S30 PolarHBondContact O-N 2.86Å; S28-R31 WeakPolarHBondContact O-CB 3.3Å; S28-R31 PolarHBondContact O-N 2.82Å; S28-R31 WeakPolarHBondContact OG-CG 3.47Å; S28-Y32 WeakPolarHBondContact O-CD2 3.29Å
29	F	93	Very high	95.4	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.026	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-49.1	-46.1	-175.4	-179.4	-119.9	0	0	0	112.9	S24 Y27 R31 Y32 M34 L53 V72 A79	S24-F29 WeakPolarHBondContact OG-CD2 3.19Å; S24-F29 WeakPolarHBondContact OG-CG 3.46Å; Y27-F29 HydrophobicContact CE2-CD2 4.4Å; Y27-F29 PolarHBondContact O-N 3.18Å; Y27-F29 VanDerWaalsContact O-N 3.12Å; F29-R31 PolarHBondContact O-N 2.84Å; F29-Y32 PolarHBondContact O-N 3.48Å; F29-M34 HydrophobicContact CE2-CE 3.73Å; F29-L53 HydrophobicContact CD1-CD1 3.85Å; F29-L53 HydrophobicContact CD2-CD1 3.85Å; F29-L53 HydrophobicContact CE1-CD1 3.65Å; F29-L53 HydrophobicContact CE1-CD2 4.01Å; F29-L53 HydrophobicContact CE2-CD1 3.66Å; F29-L53 HydrophobicContact CG-CD1 3.97Å; F29-L53 HydrophobicContact CZ-CD1 3.57Å; F29-L53 HydrophobicContact CZ-CD2 4.4Å; F29-L53 WeakPolarHBondContact O-CD1 3.3Å; F29-V72 HydrophobicContact CE1-CB 4.38Å; F29-V72 HydrophobicContact CZ-CB 4.43Å; F29-V72 HydrophobicContact CZ-CG1 4.2Å; F29-A79 HydrophobicContact CZ-CB 4.38Å
30	S	93.8	Very high	95	Very high	44 Å²	44	46.4 Å²	46.4	31%	0.308	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-66.2	-8.8	-178	58.4	0	0	0	0	115.4	S28 L53 F54	S28-S30 VanDerWaalsContact C-N 3.26Å; S28-S30 PolarHBondContact O-N 2.86Å; S30-L53 CarbonylContact O-C 3.5Å; S30-L53 VanDerWaalsContact O-C 3.31Å; S30-F54 VanDerWaalsContact O-CA 3.29Å; S30-F54 WeakPolarHBondContact O-CA 3.43Å; S30-F54 PolarHBondContact O-N 2.84Å; S30-F54 VanDerWaalsContact O-N 3.13Å
31	R	93.7	Very high	94.5	Very high	154 Å²	154	53.2 Å²	53.2	58%	0.581	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-95.5	-6.7	-179.2	-65.8	-70.2	-172.8	164.4	1.1	114.1	S28 F29	S28-R31 WeakPolarHBondContact O-CB 3.3Å; S28-R31 PolarHBondContact O-N 2.82Å; S28-R31 WeakPolarHBondContact OG-CG 3.47Å; F29-R31 PolarHBondContact O-N 2.84Å
32	Y	93.4	Very high	93.8	Very high	99 Å²	99	55.8 Å²	55.8	39%	0.388	31%	0.308	S	S	.	.	S	Bend	trans	-122.5	169.5	-174.4	-67	-89.1	0	0	0	112.1	Y27 S28 F29 L53	Y27-Y32 AromaticContact CD2-CD2 3.4Å; Y27-Y32 HydrophobicContact CD2-CD2 3.4Å; Y27-Y32 AromaticContact CD2-CE2 3.84Å; Y27-Y32 HydrophobicContact CD2-CE2 3.84Å; Y27-Y32 HydrophobicContact CD2-CG 4.15Å; Y27-Y32 AromaticContact CE2-CD2 3.82Å; Y27-Y32 HydrophobicContact CE2-CD2 3.82Å; Y27-Y32 HydrophobicContact CE2-CG 4.19Å; Y27-Y32 HydrophobicContact CG-CD2 4.47Å; S28-Y32 WeakPolarHBondContact O-CD2 3.29Å; F29-Y32 PolarHBondContact O-N 3.48Å; Y32-L53 WeakPolarHBondContact O-CB 3.41Å; Y32-L53 PolarHBondContact O-N 2.98Å
33	K	94.8	Very high	93.2	Very high	79 Å²	79	62.4 Å²	62.4	34%	0.343	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	150.6	167.9	-61.5	-176.9	-178.7	-178.9	0	109.2	I51 N52 R98	K33-I51 CarbonylContact C-O 3.57Å; K33-I51 VanDerWaalsContact CA-O 3.26Å; K33-I51 WeakPolarHBondContact CA-O 3.41Å; K33-N52 WeakPolarHBondContact CE-ND2 3.42Å; K33-N52 HydrophobicContact CG-CB 3.95Å; K33-R98 WeakPolarHBondContact O-CA 3.22Å
34	M	96	Very high	92.8	Very high	0 Å²	0	61 Å²	61	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.3	161.2	-179	60.5	62.9	0	0	107.8	L4 F29 H50 I51 L70 A79 C96	L4-M34 HydrophobicContact CD2-CE 3.8Å; F29-M34 HydrophobicContact CE2-CE 3.73Å; M34-H50 CarbonylContact O-C 3.59Å; M34-H50 WeakPolarHBondContact O-CA 3.31Å; M34-H50 VanDerWaalsContact O-CB 3.31Å; M34-H50 WeakPolarHBondContact O-CB 3.33Å; M34-I51 PolarHBondContact N-O 3.34Å; M34-I51 PolarHBondContact O-N 2.86Å; M34-L70 HydrophobicContact CG-CD2 4.44Å; M34-A79 HydrophobicContact CB-CB 4.42Å; M34-A79 HydrophobicContact CE-CB 4.33Å; M34-A79 HydrophobicContact CG-CB 3.55Å; M34-A79 HydrophobicContact SD-CB 4.35Å; M34-C96 HydrophobicContact SD-CB 3.76Å
35	E	96.1	Very high	92.6	Very high	57 Å²	57	65.9 Å²	65.9	27%	0.266	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	147.2	179.4	-45.2	-161.2	165.5	0	0	110.6	H50 C96 A97	E35-H50 HydrophobicContact CB-CB 4.18Å; E35-H50 HydrophobicContact CG-CB 3.81Å; E35-C96 CarbonylContact O-C 3.51Å; E35-C96 VanDerWaalsContact O-CA 3.26Å; E35-C96 WeakPolarHBondContact O-CA 3.29Å; E35-A97 HydrophobicContact CB-CB 4.35Å; E35-A97 PolarHBondContact N-O 3.41Å; E35-A97 PolarHBondContact O-N 3.26Å
36	C	95.3	Very high	92.5	Very high	6 Å²	6	64.7 Å²	64.7	4%	0.041	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.7	168.9	-74.6	0	0	0	0	109.8	I48 E49 L70 M81 Y95	C36-I48 HydrophobicContact CB-CB 4.22Å; C36-I48 HydrophobicContact CB-CD1 4.39Å; C36-I48 WeakPolarHBondContact O-CB 2.99Å; C36-I48 PolarHBondContact O-N 2.7Å; C36-E49 PolarHBondContact N-O 2.8Å; C36-L70 VanDerWaalsContact SG-CD1 3.58Å; C36-M81 HydrophobicContact CB-CG 4.43Å; C36-M81 HydrophobicContact CB-SD 3.73Å; C36-Y95 WeakPolarHBondContact CA-O 3.38Å
37	V	95.6	Very high	92.4	Very high	21 Å²	21	65.8 Å²	65.8	13%	0.127	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.6	178.1	-65.1	0	0	0	0	110	E46 W47 Y94 Y95	V37-E46 CarbonylContact C-O 3.51Å; V37-E46 WeakPolarHBondContact CA-O 3.02Å; V37-W47 HydrophobicContact CG1-CB 4.45Å; V37-Y94 CarbonylContact O-C 3.54Å; V37-Y94 WeakPolarHBondContact O-CA 3.41Å; V37-Y95 HydrophobicContact CG2-CD2 4.48Å; V37-Y95 PolarHBondContact N-O 3.14Å; V37-Y95 PolarHBondContact O-N 3.27Å
38	K	94.8	Very high	92.5	Very high	12 Å²	12	64 Å²	64	5%	0.052	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	130	172.2	167.3	171.9	169.2	148.9	0	109.1	S40 E46 I48 F64 E89 E92 V93 Y94	K38-S40 WeakPolarHBondContact CE-OG 3.36Å; K38-E46 HydrophobicContact CB-CB 4.46Å; K38-E46 PolarHBondContact N-O 2.91Å; K38-E46 PolarHBondContact O-N 2.76Å; K38-I48 HydrophobicContact CB-CD1 3.99Å; K38-I48 HydrophobicContact CB-CG1 4.27Å; K38-F64 HydrophobicContact CD-CE1 4.02Å; K38-F64 HydrophobicContact CD-CZ 4.28Å; K38-E89 PolarHBondContact NZ-O 3.12Å; K38-E92 HydrophobicContact CD-CB 4.41Å; K38-E92 HydrophobicContact CG-CB 4.22Å; K38-V93 CarbonylContact C-O 3.6Å; K38-Y94 HydrophobicContact CB-CD1 4.1Å; K38-Y94 HydrophobicContact CB-CE1 3.98Å; K38-Y94 HydrophobicContact CD-CE1 4.09Å; K38-Y94 HydrophobicContact CG-CE1 4.24Å
39	Q	94.4	Very high	92.6	Very high	77 Å²	77	61.4 Å²	61.4	36%	0.36	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	110.7	167.4	-172.2	179.4	25.1	0	0	108.2	L45 V93 Y95	Q39-L45 HydrophobicContact CB-CD2 3.68Å; Q39-L45 HydrophobicContact CG-CD2 3.98Å; Q39-V93 HydrophobicContact CB-CB 4.37Å; Q39-V93 PolarHBondContact N-O 3.06Å; Q39-V93 PolarHBondContact O-N 2.81Å; Q39-Y95 HydrophobicContact CB-CD2 4.28Å; Q39-Y95 HydrophobicContact CB-CE2 3.81Å; Q39-Y95 VanDerWaalsContact OE1-CE2 3.24Å; Q39-Y95 PolarHBondContact OE1-OH 3.31Å
40	S	89.7	Confident	92.8	Very high	5 Å²	5	62.1 Å²	62.1	4%	0.035	32%	0.319	C	S	.	.			trans	-90.2	142.6	172.8	-44.3	0	0	0	0	110.2	K38 G42 K43 E92	K38-S40 WeakPolarHBondContact CE-OG 3.36Å; S40-G42 PolarHBondContact O-N 3.42Å; S40-K43 PolarHBondContact O-N 2.83Å; S40-E92 VanDerWaalsContact CA-OE2 3.24Å; S40-E92 WeakPolarHBondContact CA-OE2 3.37Å
41	H	86.1	Confident	92.9	Very high	166 Å²	166	60.7 Å²	60.7	77%	0.769	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	124.3	176.9	-90.3	-175.6	0	0	0	112.3	K43 E92	H41-K43 PolarHBondContact O-N 2.84Å; H41-E92 PolarHBondContact N-OE2 3.13Å
42	G	83.2	Confident	92.9	Very high	94 Å²	94	54.3 Å²	54.3	97%	0.969	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	9.3	179.3	0	0	0	0	0	115.6	S40	S40-G42 PolarHBondContact O-N 3.42Å
43	K	84	Confident	92.9	Very high	144 Å²	144	50.7 Å²	50.7	63%	0.626	27%	0.273	S	S	*	.	S	Bend	trans	-119.2	165	178.6	-57.9	-172.5	-175.5	175.8	0	111.9	S40 H41	S40-K43 PolarHBondContact O-N 2.83Å; H41-K43 PolarHBondContact O-N 2.84Å
44	S	88.1	Confident	92.8	Very high	96 Å²	96	52.9 Å²	52.9	67%	0.671	28%	0.282	S	S	*	.			trans	-63.6	161.3	170.6	58.9	0	0	0	0	111.5	E46	S44-E46 PolarHBondContact O-N 2.82Å
45	L	92.9	Very high	92.7	Very high	108 Å²	108	60 Å²	60	57%	0.565	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.1	132.6	168.9	-67.3	170.5	0	0	0	110.1	Q39	Q39-L45 HydrophobicContact CB-CD2 3.68Å; Q39-L45 HydrophobicContact CG-CD2 3.98Å
46	E	94.5	Very high	92.3	Very high	37 Å²	37	60.5 Å²	60.5	17%	0.173	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	117	174.5	-63.9	-167.4	-111	0	0	109.3	V37 K38 S44 K63 F64	V37-E46 CarbonylContact C-O 3.51Å; V37-E46 WeakPolarHBondContact CA-O 3.02Å; K38-E46 HydrophobicContact CB-CB 4.46Å; K38-E46 PolarHBondContact N-O 2.91Å; K38-E46 PolarHBondContact O-N 2.76Å; S44-E46 PolarHBondContact O-N 2.82Å; E46-K63 IonicContact OE1-NZ 2.83Å; E46-K63 PolarHBondContact OE1-NZ 3.02Å; E46-K63 IonicContact OE2-NZ 3.42Å; E46-K63 PolarHBondContact OE2-NZ 2.97Å; E46-F64 HydrophobicContact CB-CE2 4.23Å; E46-F64 HydrophobicContact CB-CZ 4.09Å
47	W	94.8	Very high	92.2	Very high	76 Å²	76	63.4 Å²	63.4	29%	0.288	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	129.8	174.9	177.5	84.8	0	0	0	110.9	V37 E49 H50 N59 Y60 N61	V37-W47 HydrophobicContact CG1-CB 4.45Å; W47-E49 VanDerWaalsContact CZ2-C 3.42Å; W47-E49 PolarHBondContact NE1-O 3.44Å; W47-H50 AromaticContact CE2-ND1 3.91Å; W47-H50 HydrophobicContact CZ2-CB 4.13Å; W47-H50 AromaticContact CZ2-CG 3.97Å; W47-H50 AromaticContact CZ2-ND1 3.29Å; W47-H50 VanDerWaalsContact CZ2-ND1 3.29Å; W47-H50 WeakPolarHBondContact CZ2-ND1 3.44Å; W47-N59 HydrophobicContact CH2-CB 4.04Å; W47-N59 WeakPolarHBondContact CH2-O 3.47Å; W47-N59 HydrophobicContact CZ2-CB 4.39Å; W47-N59 WeakPolarHBondContact CZ2-O 3.4Å; W47-Y60 VanDerWaalsContact CZ3-C 3.48Å; W47-N61 HydrophobicContact CE3-CB 3.72Å; W47-N61 HydrophobicContact CZ3-CB 3.71Å; W47-N61 VanDerWaalsContact CZ3-N 3.27Å; W47-N61 VanDerWaalsContact O-CB 3.29Å; W47-N61 WeakPolarHBondContact O-CB 3.26Å; W47-N61 PolarHBondContact O-ND2 2.82Å
48	I	95.5	Very high	92.1	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-63.1	-177	-62.3	172.9	0	0	0	109.7	C36 K38 N61 F64 A68 M81 Y94	C36-I48 HydrophobicContact CB-CB 4.22Å; C36-I48 HydrophobicContact CB-CD1 4.39Å; C36-I48 WeakPolarHBondContact O-CB 2.99Å; C36-I48 PolarHBondContact O-N 2.7Å; K38-I48 HydrophobicContact CB-CD1 3.99Å; K38-I48 HydrophobicContact CB-CG1 4.27Å; I48-N61 VanDerWaalsContact O-CB 3.29Å; I48-N61 WeakPolarHBondContact O-CB 3.37Å; I48-N61 PolarHBondContact O-N 2.88Å; I48-F64 HydrophobicContact CB-CD2 4.34Å; I48-F64 HydrophobicContact CB-CG 4.4Å; I48-F64 HydrophobicContact CG1-CD1 4.29Å; I48-F64 HydrophobicContact CG1-CD2 4.11Å; I48-F64 HydrophobicContact CG1-CE1 4.4Å; I48-F64 HydrophobicContact CG1-CE2 4.21Å; I48-F64 HydrophobicContact CG1-CG 4.15Å; I48-F64 HydrophobicContact CG1-CZ 4.36Å; I48-F64 HydrophobicContact CG2-CB 3.81Å; I48-F64 HydrophobicContact CG2-CD2 4.44Å; I48-F64 HydrophobicContact CG2-CG 4.07Å; I48-A68 HydrophobicContact CG2-CB 3.38Å; I48-M81 HydrophobicContact CD1-SD 3.87Å; I48-Y94 HydrophobicContact CD1-CD1 3.6Å; I48-Y94 HydrophobicContact CD1-CE1 3.73Å
49	E	95.8	Very high	92.1	Very high	9 Å²	9	68.8 Å²	68.8	4%	0.042	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	165	-176.9	67.3	-170	129.3	0	0	110.7	C36 W47 N59 T69 L70	C36-E49 PolarHBondContact N-O 2.8Å; W47-E49 VanDerWaalsContact CZ2-C 3.42Å; W47-E49 PolarHBondContact NE1-O 3.44Å; E49-N59 CarbonylContact C-O 3.31Å; E49-N59 WeakPolarHBondContact CA-O 3.36Å; E49-N59 VanDerWaalsContact CB-O 3.27Å; E49-N59 WeakPolarHBondContact CB-O 3.29Å; E49-T69 VanDerWaalsContact OE1-CA 3.23Å; E49-T69 WeakPolarHBondContact OE1-CA 3.47Å; E49-T69 PolarHBondContact OE1-N 3.03Å; E49-L70 HydrophobicContact CG-CB 3.49Å; E49-L70 VanDerWaalsContact CG-CB 3.49Å; E49-L70 HydrophobicContact CG-CD2 4.02Å; E49-L70 HydrophobicContact CG-CG 4.4Å; E49-L70 WeakPolarHBondContact OE1-CB 3.49Å; E49-L70 PolarHBondContact OE1-N 2.9Å; E49-L70 WeakPolarHBondContact OE2-CB 2.94Å; E49-L70 PolarHBondContact OE2-N 2.6Å
50	H	96	Very high	92.1	Very high	21 Å²	21	70.5 Å²	70.5	10%	0.097	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	151.6	169.8	75.2	-111.7	0	0	0	111.8	M34 E35 W47 T58 N59	M34-H50 CarbonylContact O-C 3.59Å; M34-H50 WeakPolarHBondContact O-CA 3.31Å; M34-H50 VanDerWaalsContact O-CB 3.31Å; M34-H50 WeakPolarHBondContact O-CB 3.33Å; E35-H50 HydrophobicContact CB-CB 4.18Å; E35-H50 HydrophobicContact CG-CB 3.81Å; W47-H50 AromaticContact CE2-ND1 3.91Å; W47-H50 HydrophobicContact CZ2-CB 4.13Å; W47-H50 AromaticContact CZ2-CG 3.97Å; W47-H50 AromaticContact CZ2-ND1 3.29Å; W47-H50 VanDerWaalsContact CZ2-ND1 3.29Å; W47-H50 WeakPolarHBondContact CZ2-ND1 3.44Å; H50-T58 WeakPolarHBondContact O-CA 3.49Å; H50-N59 PolarHBondContact N-O 2.64Å; H50-N59 PolarHBondContact O-N 3.45Å
51	I	95.5	Very high	92.3	Very high	14 Å²	14	72.7 Å²	72.7	7%	0.072	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	120.5	168.1	-66.5	-175.2	0	0	0	108.5	K33 M34 L53 T58 L70 V72	K33-I51 CarbonylContact C-O 3.57Å; K33-I51 VanDerWaalsContact CA-O 3.26Å; K33-I51 WeakPolarHBondContact CA-O 3.41Å; M34-I51 PolarHBondContact N-O 3.34Å; M34-I51 PolarHBondContact O-N 2.86Å; I51-L53 HydrophobicContact CG2-CD2 4.19Å; I51-L53 HydrophobicContact CG2-CG 4.22Å; I51-L53 PolarHBondContact O-N 2.86Å; I51-T58 HydrophobicContact CD1-CG2 4.46Å; I51-T58 HydrophobicContact CG1-CG2 3.82Å; I51-L70 HydrophobicContact CB-CD2 4.34Å; I51-L70 HydrophobicContact CD1-CB 4.16Å; I51-L70 HydrophobicContact CD1-CD2 4.34Å; I51-L70 HydrophobicContact CD1-CG 3.88Å; I51-L70 VanDerWaalsContact CD1-O 3.28Å; I51-L70 WeakPolarHBondContact CD1-O 3.17Å; I51-L70 HydrophobicContact CG1-CB 4.38Å; I51-L70 HydrophobicContact CG1-CD2 3.92Å; I51-L70 HydrophobicContact CG1-CG 4.03Å; I51-V72 HydrophobicContact CB-CG1 4.46Å; I51-V72 HydrophobicContact CD1-CG1 4.04Å; I51-V72 HydrophobicContact CD1-CG2 4.37Å; I51-V72 HydrophobicContact CG2-CG1 4.37Å; I51-V72 HydrophobicContact CG2-CG2 4.38Å
52	N	94.8	Very high	92.7	Very high	20 Å²	20	67.7 Å²	67.7	11%	0.107	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	97.9	166.6	-172.3	-29.3	0	0	0	109	K33 F54 K55 G56 V57	K33-N52 WeakPolarHBondContact CE-ND2 3.42Å; K33-N52 HydrophobicContact CG-CB 3.95Å; N52-F54 PolarHBondContact O-N 2.81Å; N52-F54 PolarHBondContact OD1-N 2.89Å; N52-F54 VanDerWaalsContact OD1-N 3.14Å; N52-K55 HydrophobicContact CB-CB 4.34Å; N52-K55 PolarHBondContact O-N 3.02Å; N52-K55 PolarHBondContact OD1-N 2.78Å; N52-G56 WeakPolarHBondContact O-CA 3.43Å; N52-G56 PolarHBondContact O-N 2.82Å; N52-V57 PolarHBondContact N-O 2.75Å; N52-V57 PolarHBondContact O-N 2.88Å
53	L	93.6	Very high	93.1	Very high	23 Å²	23	69.2 Å²	69.2	12%	0.12	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-29.4	-177.2	-67.4	154.9	0	0	0	112.5	F29 S30 Y32 I51 V72 I74	F29-L53 HydrophobicContact CD1-CD1 3.85Å; F29-L53 HydrophobicContact CD2-CD1 3.85Å; F29-L53 HydrophobicContact CE1-CD1 3.65Å; F29-L53 HydrophobicContact CE1-CD2 4.01Å; F29-L53 HydrophobicContact CE2-CD1 3.66Å; F29-L53 HydrophobicContact CG-CD1 3.97Å; F29-L53 HydrophobicContact CZ-CD1 3.57Å; F29-L53 HydrophobicContact CZ-CD2 4.4Å; F29-L53 WeakPolarHBondContact O-CD1 3.3Å; S30-L53 CarbonylContact O-C 3.5Å; S30-L53 VanDerWaalsContact O-C 3.31Å; Y32-L53 WeakPolarHBondContact O-CB 3.41Å; Y32-L53 PolarHBondContact O-N 2.98Å; I51-L53 HydrophobicContact CG2-CD2 4.19Å; I51-L53 HydrophobicContact CG2-CG 4.22Å; I51-L53 PolarHBondContact O-N 2.86Å; L53-V72 HydrophobicContact CD2-CB 3.88Å; L53-V72 HydrophobicContact CD2-CG1 3.95Å; L53-V72 HydrophobicContact CD2-CG2 3.63Å; L53-I74 HydrophobicContact CD2-CD1 4.48Å; L53-I74 HydrophobicContact CD2-CG1 4.17Å
54	F	93	Very high	93.6	Very high	124 Å²	124	62.9 Å²	62.9	54%	0.544	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-37	179.2	-179.5	-114.2	0	0	0	112.2	S30 N52	S30-F54 VanDerWaalsContact O-CA 3.29Å; S30-F54 WeakPolarHBondContact O-CA 3.43Å; S30-F54 PolarHBondContact O-N 2.84Å; S30-F54 VanDerWaalsContact O-N 3.13Å; N52-F54 PolarHBondContact O-N 2.81Å; N52-F54 PolarHBondContact OD1-N 2.89Å; N52-F54 VanDerWaalsContact OD1-N 3.14Å
55	K	93	Very high	93.6	Very high	151 Å²	151	64.3 Å²	64.3	66%	0.657	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-11.4	-179.1	-63.6	-168.6	177.1	-172.7	0	113.9	N52 V57	N52-K55 HydrophobicContact CB-CB 4.34Å; N52-K55 PolarHBondContact O-N 3.02Å; N52-K55 PolarHBondContact OD1-N 2.78Å; K55-V57 HydrophobicContact CB-CB 4.39Å; K55-V57 HydrophobicContact CB-CG2 3.93Å; K55-V57 PolarHBondContact O-N 2.89Å
56	G	87.8	Confident	93.6	Very high	66 Å²	66	62.7 Å²	62.7	68%	0.68	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	28.7	-171.2	0	0	0	0	0	113.3	N52	N52-G56 WeakPolarHBondContact O-CA 3.43Å; N52-G56 PolarHBondContact O-N 2.82Å
57	V	93.1	Very high	93.5	Very high	67 Å²	67	63.4 Å²	63.4	41%	0.406	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	131	-176.5	176.8	0	0	0	0	110.1	N52 K55	N52-V57 PolarHBondContact N-O 2.75Å; N52-V57 PolarHBondContact O-N 2.88Å; K55-V57 HydrophobicContact CB-CB 4.39Å; K55-V57 HydrophobicContact CB-CG2 3.93Å; K55-V57 PolarHBondContact O-N 2.89Å
58	T	93	Very high	93.5	Very high	64 Å²	64	60.1 Å²	60.1	39%	0.393	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132.1	174.4	-53.3	0	0	0	0	109.9	H50 I51	H50-T58 WeakPolarHBondContact O-CA 3.49Å; I51-T58 HydrophobicContact CD1-CG2 4.46Å; I51-T58 HydrophobicContact CG1-CG2 3.82Å
59	N	95.2	Very high	93.4	Very high	82 Å²	82	63.6 Å²	63.6	44%	0.439	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	144.6	171.4	-77.6	-30.2	0	0	0	109.3	W47 E49 H50	W47-N59 HydrophobicContact CH2-CB 4.04Å; W47-N59 WeakPolarHBondContact CH2-O 3.47Å; W47-N59 HydrophobicContact CZ2-CB 4.39Å; W47-N59 WeakPolarHBondContact CZ2-O 3.4Å; E49-N59 CarbonylContact C-O 3.31Å; E49-N59 WeakPolarHBondContact CA-O 3.36Å; E49-N59 VanDerWaalsContact CB-O 3.27Å; E49-N59 WeakPolarHBondContact CB-O 3.29Å; H50-N59 PolarHBondContact N-O 2.64Å; H50-N59 PolarHBondContact O-N 3.45Å
60	Y	94.7	Very high	93.4	Very high	113 Å²	113	63.6 Å²	63.6	44%	0.443	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.4	-179.8	50	-98.1	0	0	0	111.1	W47 K65	W47-Y60 VanDerWaalsContact CZ3-C 3.48Å; Y60-K65 HydrophobicContact CD2-CB 4.01Å; Y60-K65 HydrophobicContact CD2-CD 4.02Å; Y60-K65 HydrophobicContact CD2-CG 3.86Å; Y60-K65 HydrophobicContact CE2-CB 4.3Å; Y60-K65 HydrophobicContact CE2-CD 3.42Å; Y60-K65 VanDerWaalsContact CE2-CD 3.42Å; Y60-K65 HydrophobicContact CE2-CG 3.77Å; Y60-K65 WeakPolarHBondContact OH-CE 3.44Å; Y60-K65 PolarHBondContact OH-NZ 2.02Å
61	N	94.7	Very high	93.3	Very high	52 Å²	52	65.1 Å²	65.1	28%	0.278	36%	0.358	S	S	.	.			trans	-80.5	127.3	169.6	-178.3	-19.7	0	0	0	108.8	W47 I48 K63 F64 K65	W47-N61 HydrophobicContact CE3-CB 3.72Å; W47-N61 HydrophobicContact CZ3-CB 3.71Å; W47-N61 VanDerWaalsContact CZ3-N 3.27Å; W47-N61 VanDerWaalsContact O-CB 3.29Å; W47-N61 WeakPolarHBondContact O-CB 3.26Å; W47-N61 PolarHBondContact O-ND2 2.82Å; I48-N61 VanDerWaalsContact O-CB 3.29Å; I48-N61 WeakPolarHBondContact O-CB 3.37Å; I48-N61 PolarHBondContact O-N 2.88Å; N61-K63 PolarHBondContact O-N 2.84Å; N61-K63 WeakPolarHBondContact OD1-CB 3.49Å; N61-K63 PolarHBondContact OD1-N 2.85Å; N61-F64 HydrophobicContact CB-CD2 3.98Å; N61-F64 PolarHBondContact O-N 2.9Å; N61-K65 PolarHBondContact O-N 2.89Å
62	G	93.8	Very high	93.3	Very high	60 Å²	60	66.7 Å²	66.7	62%	0.619	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-30.9	-179.6	0	0	0	0	0	113.7	F64 K65	G62-F64 PolarHBondContact O-N 2.96Å; G62-K65 PolarHBondContact O-N 2.94Å
63	K	91.9	Very high	93.3	Very high	126 Å²	126	68.3 Å²	68.3	55%	0.548	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-31.7	176.6	-175.7	178	176	-175.8	0	113.2	E46 N61	E46-K63 IonicContact OE1-NZ 2.83Å; E46-K63 PolarHBondContact OE1-NZ 3.02Å; E46-K63 IonicContact OE2-NZ 3.42Å; E46-K63 PolarHBondContact OE2-NZ 2.97Å; N61-K63 PolarHBondContact O-N 2.84Å; N61-K63 WeakPolarHBondContact OD1-CB 3.49Å; N61-K63 PolarHBondContact OD1-N 2.85Å
64	F	93.3	Very high	93.3	Very high	12 Å²	12	71.7 Å²	71.7	5%	0.053	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-5.7	-174.2	-60.8	-80.6	0	0	0	113.8	K38 E46 I48 N61 G62 S66 K67 A68	K38-F64 HydrophobicContact CD-CE1 4.02Å; K38-F64 HydrophobicContact CD-CZ 4.28Å; E46-F64 HydrophobicContact CB-CE2 4.23Å; E46-F64 HydrophobicContact CB-CZ 4.09Å; I48-F64 HydrophobicContact CB-CD2 4.34Å; I48-F64 HydrophobicContact CB-CG 4.4Å; I48-F64 HydrophobicContact CG1-CD1 4.29Å; I48-F64 HydrophobicContact CG1-CD2 4.11Å; I48-F64 HydrophobicContact CG1-CE1 4.4Å; I48-F64 HydrophobicContact CG1-CE2 4.21Å; I48-F64 HydrophobicContact CG1-CG 4.15Å; I48-F64 HydrophobicContact CG1-CZ 4.36Å; I48-F64 HydrophobicContact CG2-CB 3.81Å; I48-F64 HydrophobicContact CG2-CD2 4.44Å; I48-F64 HydrophobicContact CG2-CG 4.07Å; N61-F64 HydrophobicContact CB-CD2 3.98Å; N61-F64 PolarHBondContact O-N 2.9Å; G62-F64 PolarHBondContact O-N 2.96Å; F64-S66 PolarHBondContact O-N 2.92Å; F64-K67 PolarHBondContact O-N 3.29Å; F64-A68 HydrophobicContact CB-CB 4.15Å; F64-A68 PolarHBondContact O-N 3.06Å
65	K	89.8	Confident	93.4	Very high	125 Å²	125	71 Å²	71	54%	0.543	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-34.4	-173	-172.8	-176.8	-175.9	167.4	0	114.6	Y60 N61 G62	Y60-K65 HydrophobicContact CD2-CB 4.01Å; Y60-K65 HydrophobicContact CD2-CD 4.02Å; Y60-K65 HydrophobicContact CD2-CG 3.86Å; Y60-K65 HydrophobicContact CE2-CB 4.3Å; Y60-K65 HydrophobicContact CE2-CD 3.42Å; Y60-K65 VanDerWaalsContact CE2-CD 3.42Å; Y60-K65 HydrophobicContact CE2-CG 3.77Å; Y60-K65 WeakPolarHBondContact OH-CE 3.44Å; Y60-K65 PolarHBondContact OH-NZ 2.02Å; N61-K65 PolarHBondContact O-N 2.89Å; G62-K65 PolarHBondContact O-N 2.94Å
66	S	91.4	Very high	93.5	Very high	75 Å²	75	65.6 Å²	65.6	52%	0.524	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-7.5	-179.3	63.5	0	0	0	0	114	F64 R85	F64-S66 PolarHBondContact O-N 2.92Å; S66-R85 PolarHBondContact O-NH2 2.62Å
67	K	92.8	Very high	93.9	Very high	52 Å²	52	64.2 Å²	64.2	23%	0.226	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-41.4	-174.6	-75	-160.6	175.7	-164.3	0	112.8	F64 L83 S84 D90	F64-K67 PolarHBondContact O-N 3.29Å; K67-L83 CarbonylContact O-C 3.53Å; K67-L83 VanDerWaalsContact O-CA 3.31Å; K67-L83 WeakPolarHBondContact O-CA 3.41Å; K67-S84 PolarHBondContact O-N 2.77Å; K67-S84 PolarHBondContact O-OG 3.26Å; K67-D90 IonicContact NZ-OD1 3.45Å; K67-D90 PolarHBondContact NZ-OD1 2.99Å; K67-D90 IonicContact NZ-OD2 2.64Å; K67-D90 PolarHBondContact NZ-OD2 2.93Å
68	A	94.7	Very high	94.1	Very high	6 Å²	6	61.4 Å²	61.4	5%	0.05	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	144.4	-173.8	0	0	0	0	0	111.6	I48 F64 E82 L83	I48-A68 HydrophobicContact CG2-CB 3.38Å; F64-A68 HydrophobicContact CB-CB 4.15Å; F64-A68 PolarHBondContact O-N 3.06Å; A68-E82 CarbonylContact C-O 3.44Å; A68-E82 WeakPolarHBondContact CA-O 3.29Å; A68-L83 HydrophobicContact CB-CD2 3.77Å
69	T	94.6	Very high	94.3	Very high	73 Å²	73	58.4 Å²	58.4	45%	0.448	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	126.6	169.9	-59.5	0	0	0	0	109.7	E49 T71 E82	E49-T69 VanDerWaalsContact OE1-CA 3.23Å; E49-T69 WeakPolarHBondContact OE1-CA 3.47Å; E49-T69 PolarHBondContact OE1-N 3.03Å; T69-T71 HydrophobicContact CG2-CG2 4.21Å; T69-E82 PolarHBondContact N-O 2.85Å; T69-E82 PolarHBondContact O-N 2.89Å
70	L	94.8	Very high	94.3	Very high	9 Å²	9	57.5 Å²	57.5	5%	0.047	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.1	175.3	-174.9	57.9	0	0	0	108.6	M34 C36 E49 I51 A79 Y80 M81	M34-L70 HydrophobicContact CG-CD2 4.44Å; C36-L70 VanDerWaalsContact SG-CD1 3.58Å; E49-L70 HydrophobicContact CG-CB 3.49Å; E49-L70 VanDerWaalsContact CG-CB 3.49Å; E49-L70 HydrophobicContact CG-CD2 4.02Å; E49-L70 HydrophobicContact CG-CG 4.4Å; E49-L70 WeakPolarHBondContact OE1-CB 3.49Å; E49-L70 PolarHBondContact OE1-N 2.9Å; E49-L70 WeakPolarHBondContact OE2-CB 2.94Å; E49-L70 PolarHBondContact OE2-N 2.6Å; I51-L70 HydrophobicContact CB-CD2 4.34Å; I51-L70 HydrophobicContact CD1-CB 4.16Å; I51-L70 HydrophobicContact CD1-CD2 4.34Å; I51-L70 HydrophobicContact CD1-CG 3.88Å; I51-L70 VanDerWaalsContact CD1-O 3.28Å; I51-L70 WeakPolarHBondContact CD1-O 3.17Å; I51-L70 HydrophobicContact CG1-CB 4.38Å; I51-L70 HydrophobicContact CG1-CD2 3.92Å; I51-L70 HydrophobicContact CG1-CG 4.03Å; L70-A79 HydrophobicContact CD1-CB 4.12Å; L70-Y80 WeakPolarHBondContact CA-O 3.22Å; L70-Y80 WeakPolarHBondContact CD1-O 3.29Å; L70-M81 HydrophobicContact CD1-CB 4.48Å
71	T	94.4	Very high	94.4	Very high	53 Å²	53	52.6 Å²	52.6	33%	0.325	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	160.3	174.2	57.2	0	0	0	0	109.3	T69 A79 Y80	T69-T71 HydrophobicContact CG2-CG2 4.21Å; T71-A79 CarbonylContact O-C 3.55Å; T71-A79 WeakPolarHBondContact O-CA 3.46Å; T71-Y80 PolarHBondContact N-O 2.83Å; T71-Y80 PolarHBondContact O-N 3.28Å; T71-Y80 PolarHBondContact OG1-O 2.87Å
72	V	95.2	Very high	94.5	Very high	48 Å²	48	54 Å²	54	29%	0.291	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	138.8	-174.7	-68.9	0	0	0	0	110.4	F29 I51 L53 A79	F29-V72 HydrophobicContact CE1-CB 4.38Å; F29-V72 HydrophobicContact CZ-CB 4.43Å; F29-V72 HydrophobicContact CZ-CG1 4.2Å; I51-V72 HydrophobicContact CB-CG1 4.46Å; I51-V72 HydrophobicContact CD1-CG1 4.04Å; I51-V72 HydrophobicContact CD1-CG2 4.37Å; I51-V72 HydrophobicContact CG2-CG1 4.37Å; I51-V72 HydrophobicContact CG2-CG2 4.38Å; L53-V72 HydrophobicContact CD2-CB 3.88Å; L53-V72 HydrophobicContact CD2-CG1 3.95Å; L53-V72 HydrophobicContact CD2-CG2 3.63Å; V72-A79 HydrophobicContact CG1-CB 4.07Å
73	D	95	Very high	94.5	Very high	54 Å²	54	51.4 Å²	51.4	29%	0.289	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	104.8	165.8	174.8	5.9	0	0	0	107.9	S75 S76 S77 T78 Y80	D73-S75 VanDerWaalsContact C-N 3.29Å; D73-S75 PolarHBondContact O-N 2.97Å; D73-S75 WeakPolarHBondContact OD1-CB 3.33Å; D73-S75 PolarHBondContact OD1-N 3Å; D73-S75 PolarHBondContact OD1-OG 3.16Å; D73-S76 WeakPolarHBondContact CB-OG 3.44Å; D73-S76 PolarHBondContact OD1-N 3.26Å; D73-S76 VanDerWaalsContact OD2-CB 3.3Å; D73-S76 WeakPolarHBondContact OD2-CB 3.28Å; D73-S76 PolarHBondContact OD2-OG 3.25Å; D73-S77 WeakPolarHBondContact O-CA 3.23Å; D73-S77 PolarHBondContact O-N 3.37Å; D73-T78 PolarHBondContact N-O 2.77Å; D73-T78 PolarHBondContact O-N 2.94Å; D73-Y80 HydrophobicContact CB-CE2 4.06Å
74	I	93.5	Very high	94.7	Very high	93 Å²	93	46.9 Å²	46.9	48%	0.477	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-34.9	-177.8	-59.9	175.2	0	0	0	110.5	L53 S76 S77	L53-I74 HydrophobicContact CD2-CD1 4.48Å; L53-I74 HydrophobicContact CD2-CG1 4.17Å; I74-S76 PolarHBondContact O-N 3.04Å; I74-S77 PolarHBondContact O-N 2.83Å; I74-S77 VanDerWaalsContact O-N 3.16Å
75	S	94.1	Very high	94.8	Very high	109 Å²	109	53.6 Å²	53.6	76%	0.762	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-40.4	-176.1	74.3	0	0	0	0	111.7	D73	D73-S75 VanDerWaalsContact C-N 3.29Å; D73-S75 PolarHBondContact O-N 2.97Å; D73-S75 WeakPolarHBondContact OD1-CB 3.33Å; D73-S75 PolarHBondContact OD1-N 3Å; D73-S75 PolarHBondContact OD1-OG 3.16Å
76	S	95.9	Very high	95.1	Very high	38 Å²	38	48.4 Å²	48.4	27%	0.266	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	1.4	175.9	68.2	0	0	0	0	113.6	D73 I74 T78	D73-S76 WeakPolarHBondContact CB-OG 3.44Å; D73-S76 PolarHBondContact OD1-N 3.26Å; D73-S76 VanDerWaalsContact OD2-CB 3.3Å; D73-S76 WeakPolarHBondContact OD2-CB 3.28Å; D73-S76 PolarHBondContact OD2-OG 3.25Å; I74-S76 PolarHBondContact O-N 3.04Å; S76-T78 PolarHBondContact O-N 2.77Å; S76-T78 PolarHBondContact O-OG1 2.8Å; S76-T78 WeakPolarHBondContact OG-CB 3.31Å; S76-T78 PolarHBondContact OG-OG1 2.98Å
77	S	96.3	Very high	95.2	Very high	37 Å²	37	47.8 Å²	47.8	26%	0.259	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	38.6	-175.8	-61.9	0	0	0	0	112.9	S24 D73 I74	S24-S77 PolarHBondContact N-O 3.19Å; S24-S77 WeakPolarHBondContact OG-CB 3.44Å; S24-S77 PolarHBondContact OG-O 3.01Å; D73-S77 WeakPolarHBondContact O-CA 3.23Å; D73-S77 PolarHBondContact O-N 3.37Å; I74-S77 PolarHBondContact O-N 2.83Å; I74-S77 VanDerWaalsContact O-N 3.16Å
78	T	97.1	Very high	95.2	Very high	8 Å²	8	50.3 Å²	50.3	5%	0.049	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.1	-172.9	-55.4	0	0	0	0	110.7	C22 D73 S76 Y80	C22-T78 WeakPolarHBondContact O-CA 3.49Å; D73-T78 PolarHBondContact N-O 2.77Å; D73-T78 PolarHBondContact O-N 2.94Å; S76-T78 PolarHBondContact O-N 2.77Å; S76-T78 PolarHBondContact O-OG1 2.8Å; S76-T78 WeakPolarHBondContact OG-CB 3.31Å; S76-T78 PolarHBondContact OG-OG1 2.98Å; T78-Y80 HydrophobicContact CG2-CD1 4.39Å; T78-Y80 HydrophobicContact CG2-CD2 4.35Å; T78-Y80 HydrophobicContact CG2-CE1 3.81Å; T78-Y80 HydrophobicContact CG2-CE2 3.75Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.44Å
79	A	96.5	Very high	95	Very high	2 Å²	2	56.8 Å²	56.8	2%	0.017	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	148.9	167.2	0	0	0	0	0	110.4	S21 C22 F29 M34 L70 T71 V72	S21-A79 CarbonylContact C-O 3.44Å; S21-A79 WeakPolarHBondContact CA-O 3.14Å; C22-A79 PolarHBondContact N-O 2.8Å; C22-A79 PolarHBondContact O-N 2.78Å; F29-A79 HydrophobicContact CZ-CB 4.38Å; M34-A79 HydrophobicContact CB-CB 4.42Å; M34-A79 HydrophobicContact CE-CB 4.33Å; M34-A79 HydrophobicContact CG-CB 3.55Å; M34-A79 HydrophobicContact SD-CB 4.35Å; L70-A79 HydrophobicContact CD1-CB 4.12Å; T71-A79 CarbonylContact O-C 3.55Å; T71-A79 WeakPolarHBondContact O-CA 3.46Å; V72-A79 HydrophobicContact CG1-CB 4.07Å
80	Y	96.7	Very high	94.8	Very high	63 Å²	63	54 Å²	54	25%	0.247	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	124.3	177	-56.9	-89.1	0	0	0	110.1	K19 L20 L70 T71 D73 T78	K19-Y80 HydrophobicContact CD-CD1 4.42Å; K19-Y80 VanDerWaalsContact CE-CB 3.41Å; K19-Y80 HydrophobicContact CG-CD1 4.31Å; L20-Y80 CarbonylContact O-C 3.51Å; L20-Y80 VanDerWaalsContact O-CA 3.22Å; L20-Y80 WeakPolarHBondContact O-CA 3.27Å; L70-Y80 WeakPolarHBondContact CA-O 3.22Å; L70-Y80 WeakPolarHBondContact CD1-O 3.29Å; T71-Y80 PolarHBondContact N-O 2.83Å; T71-Y80 PolarHBondContact O-N 3.28Å; T71-Y80 PolarHBondContact OG1-O 2.87Å; D73-Y80 HydrophobicContact CB-CE2 4.06Å; T78-Y80 HydrophobicContact CG2-CD1 4.39Å; T78-Y80 HydrophobicContact CG2-CD2 4.35Å; T78-Y80 HydrophobicContact CG2-CE1 3.81Å; T78-Y80 HydrophobicContact CG2-CE2 3.75Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.44Å
81	M	95.6	Very high	94.8	Very high	9 Å²	9	58.3 Å²	58.3	4%	0.044	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	117.8	171.3	-174.4	-173.9	60.4	0	0	108.2	L20 C36 I48 L70 L83 Y94	L20-M81 HydrophobicContact CB-CE 4.37Å; L20-M81 HydrophobicContact CD1-CE 3.54Å; L20-M81 HydrophobicContact CG-CE 4.41Å; L20-M81 PolarHBondContact N-O 3.21Å; L20-M81 PolarHBondContact O-N 3.36Å; C36-M81 HydrophobicContact CB-CG 4.43Å; C36-M81 HydrophobicContact CB-SD 3.73Å; I48-M81 HydrophobicContact CD1-SD 3.87Å; L70-M81 HydrophobicContact CD1-CB 4.48Å; M81-L83 HydrophobicContact CE-CD1 3.93Å; M81-L83 HydrophobicContact CE-CD2 4.3Å; M81-L83 HydrophobicContact CE-CG 4.08Å; M81-L83 HydrophobicContact CG-CD2 4.31Å; M81-L83 HydrophobicContact CG-CG 4.48Å; M81-L83 HydrophobicContact SD-CD2 4.14Å; M81-Y94 VanDerWaalsContact CE-CB 3.45Å; M81-Y94 HydrophobicContact CE-CD1 3.52Å; M81-Y94 HydrophobicContact CE-CE1 4.4Å; M81-Y94 HydrophobicContact CE-CG 3.62Å; M81-Y94 HydrophobicContact SD-CD1 3.88Å
82	E	96.2	Very high	94.7	Very high	82 Å²	82	58.6 Å²	58.6	38%	0.383	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	121.3	175	-169.7	161.8	-177.7	0	0	109.1	V18 A68 T69	V18-E82 WeakPolarHBondContact O-CA 3.1Å; A68-E82 CarbonylContact C-O 3.44Å; A68-E82 WeakPolarHBondContact CA-O 3.29Å; T69-E82 PolarHBondContact N-O 2.85Å; T69-E82 PolarHBondContact O-N 2.89Å
83	L	95.8	Very high	94.7	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.026	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.1	175.1	-56.4	167.4	0	0	0	108.2	S17 V18 K67 A68 M81 L86 Y94	S17-L83 CarbonylContact C-O 3.52Å; S17-L83 WeakPolarHBondContact CA-O 3.38Å; S17-L83 VanDerWaalsContact CB-O 3.3Å; S17-L83 WeakPolarHBondContact CB-O 3.48Å; V18-L83 HydrophobicContact CG1-CB 4.09Å; V18-L83 HydrophobicContact CG1-CD1 4.15Å; V18-L83 HydrophobicContact CG1-CG 4.49Å; V18-L83 PolarHBondContact N-O 3.49Å; V18-L83 PolarHBondContact O-N 3.48Å; K67-L83 CarbonylContact O-C 3.53Å; K67-L83 VanDerWaalsContact O-CA 3.31Å; K67-L83 WeakPolarHBondContact O-CA 3.41Å; A68-L83 HydrophobicContact CB-CD2 3.77Å; M81-L83 HydrophobicContact CE-CD1 3.93Å; M81-L83 HydrophobicContact CE-CD2 4.3Å; M81-L83 HydrophobicContact CE-CG 4.08Å; M81-L83 HydrophobicContact CG-CD2 4.31Å; M81-L83 HydrophobicContact CG-CG 4.48Å; M81-L83 HydrophobicContact SD-CD2 4.14Å; L83-L86 HydrophobicContact CB-CD2 3.71Å; L83-L86 HydrophobicContact CB-CG 4.41Å; L83-L86 HydrophobicContact CD1-CD2 4.27Å; L83-Y94 HydrophobicContact CD1-CD1 3.97Å; L83-Y94 HydrophobicContact CD1-CD2 4.03Å; L83-Y94 HydrophobicContact CD1-CE1 3.56Å; L83-Y94 HydrophobicContact CD1-CE2 3.67Å; L83-Y94 HydrophobicContact CD1-CG 4.18Å; L83-Y94 VanDerWaalsContact CD1-CZ 3.41Å; L83-Y94 HydrophobicContact CD2-CD1 4.44Å; L83-Y94 HydrophobicContact CD2-CE1 3.85Å; L83-Y94 HydrophobicContact CG-CE1 4.36Å
84	S	96.1	Very high	94.7	Very high	31 Å²	31	57.5 Å²	57.5	22%	0.217	32%	0.318	C	S	.	.			trans	-122	147.7	-172.2	54.6	0	0	0	0	112.4	S17 K67 L86	S17-S84 WeakPolarHBondContact OG-CA 3.46Å; K67-S84 PolarHBondContact O-N 2.77Å; K67-S84 PolarHBondContact O-OG 3.26Å; S84-L86 PolarHBondContact O-N 2.97Å
85	R	95.5	Very high	94.8	Very high	153 Å²	153	57.8 Å²	57.8	58%	0.577	31%	0.314	S	S	*	.	S	Bend	trans	55.1	50.2	178.6	-57.8	175	-71.2	-178.1	-4.1	112.3	A16 S66	A16-R85 PolarHBondContact O-N 3.49Å; S66-R85 PolarHBondContact O-NH2 2.62Å
86	L	95.1	Very high	94.8	Very high	17 Å²	17	53.3 Å²	53.3	9%	0.089	28%	0.282	C	S	.	.			trans	-62.9	136.6	-173.5	-69	166.6	0	0	0	112.2	V12 G15 A16 V18 L83 S84 D90	V12-L86 HydrophobicContact CG2-CD1 3.5Å; G15-L86 PolarHBondContact N-O 3.45Å; A16-L86 WeakPolarHBondContact O-CB 3.34Å; A16-L86 WeakPolarHBondContact O-CG 3.47Å; A16-L86 PolarHBondContact O-N 3.36Å; V18-L86 HydrophobicContact CB-CD1 4.09Å; V18-L86 HydrophobicContact CG1-CD1 3.78Å; L83-L86 HydrophobicContact CB-CD2 3.71Å; L83-L86 HydrophobicContact CB-CG 4.41Å; L83-L86 HydrophobicContact CD1-CD2 4.27Å; S84-L86 PolarHBondContact O-N 2.97Å; L86-D90 WeakPolarHBondContact CA-OD2 3.14Å; L86-D90 HydrophobicContact CB-CB 4.47Å; L86-D90 HydrophobicContact CD2-CB 3.45Å; L86-D90 VanDerWaalsContact CD2-CB 3.45Å
87	T	94.4	Very high	94.8	Very high	62 Å²	62	53.2 Å²	53.2	38%	0.38	28%	0.284	S	S	.	.			trans	-110.9	174.7	170	67.1	0	0	0	0	110.4	E89 D90	T87-E89 PolarHBondContact O-N 3.33Å; T87-E89 PolarHBondContact OG1-N 3.3Å; T87-D90 PolarHBondContact N-OD2 3.47Å; T87-D90 WeakPolarHBondContact O-CB 3.39Å; T87-D90 PolarHBondContact O-N 3.06Å; T87-D90 PolarHBondContact OG1-OD2 3.12Å
88	S	92	Very high	94.5	Very high	105 Å²	105	56.4 Å²	56.4	73%	0.734	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-57.1	-30	173.7	49.4	0	0	0	0	112.9	D90 S91	S88-D90 PolarHBondContact O-N 3.19Å; S88-S91 VanDerWaalsContact O-CB 3.32Å; S88-S91 WeakPolarHBondContact O-CB 3.26Å; S88-S91 PolarHBondContact O-N 2.99Å
89	E	89.6	Confident	94.4	Very high	142 Å²	142	58.8 Å²	58.8	66%	0.664	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-69.4	-15.3	176.3	-58	178.9	167.5	0	0	113.7	K38 T87	K38-E89 PolarHBondContact NZ-O 3.12Å; T87-E89 PolarHBondContact O-N 3.33Å; T87-E89 PolarHBondContact OG1-N 3.3Å
90	D	92.2	Very high	94.3	Very high	14 Å²	14	61.8 Å²	61.8	8%	0.075	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-91.6	-1.3	176.1	-57.6	-51.1	0	0	0	112.4	K67 L86 T87 S88 E92 Y94	K67-D90 IonicContact NZ-OD1 3.45Å; K67-D90 PolarHBondContact NZ-OD1 2.99Å; K67-D90 IonicContact NZ-OD2 2.64Å; K67-D90 PolarHBondContact NZ-OD2 2.93Å; L86-D90 WeakPolarHBondContact CA-OD2 3.14Å; L86-D90 HydrophobicContact CB-CB 4.47Å; L86-D90 HydrophobicContact CD2-CB 3.45Å; L86-D90 VanDerWaalsContact CD2-CB 3.45Å; T87-D90 PolarHBondContact N-OD2 3.47Å; T87-D90 WeakPolarHBondContact O-CB 3.39Å; T87-D90 PolarHBondContact O-N 3.06Å; T87-D90 PolarHBondContact OG1-OD2 3.12Å; S88-D90 PolarHBondContact O-N 3.19Å; D90-E92 PolarHBondContact O-N 3.38Å; D90-Y94 WeakPolarHBondContact O-CE2 3.4Å; D90-Y94 PolarHBondContact O-OH 2.79Å
91	S	92.8	Very high	94.1	Very high	100 Å²	100	61.7 Å²	61.7	70%	0.699	32%	0.321	S	S	*	.			trans	-77.3	69.4	177.4	-178.1	0	0	0	0	111.8	S88	S88-S91 VanDerWaalsContact O-CB 3.32Å; S88-S91 WeakPolarHBondContact O-CB 3.26Å; S88-S91 PolarHBondContact O-N 2.99Å
92	E	93.4	Very high	94	Very high	59 Å²	59	64.8 Å²	64.8	28%	0.276	34%	0.337	S	S	.	.	S	Bend	trans	-134.4	176.6	-172.5	-61.5	-71.8	-170.9	0	0	110.8	K38 S40 H41 D90 Y94	K38-E92 HydrophobicContact CD-CB 4.41Å; K38-E92 HydrophobicContact CG-CB 4.22Å; S40-E92 VanDerWaalsContact CA-OE2 3.24Å; S40-E92 WeakPolarHBondContact CA-OE2 3.37Å; H41-E92 PolarHBondContact N-OE2 3.13Å; D90-E92 PolarHBondContact O-N 3.38Å; E92-Y94 HydrophobicContact CB-CE2 4.4Å; E92-Y94 VanDerWaalsContact O-CD2 3.29Å; E92-Y94 WeakPolarHBondContact O-CD2 3.5Å; E92-Y94 WeakPolarHBondContact O-CE2 3.41Å
93	V	94.1	Very high	93.9	Very high	59 Å²	59	63.8 Å²	63.8	36%	0.358	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	132.5	177.2	-168.9	0	0	0	0	109.8	K38 Q39 Y95	K38-V93 CarbonylContact C-O 3.6Å; Q39-V93 HydrophobicContact CB-CB 4.37Å; Q39-V93 PolarHBondContact N-O 3.06Å; Q39-V93 PolarHBondContact O-N 2.81Å; V93-Y95 HydrophobicContact CB-CE2 4Å; V93-Y95 HydrophobicContact CG1-CD2 4.14Å; V93-Y95 HydrophobicContact CG1-CE1 4Å; V93-Y95 HydrophobicContact CG1-CE2 3.43Å; V93-Y95 VanDerWaalsContact CG1-CE2 3.43Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.46Å
94	Y	95.3	Very high	93.8	Very high	19 Å²	19	67.7 Å²	67.7	8%	0.075	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.9	177.2	-65.9	-98.2	0	0	0	109.6	Q6 V37 K38 I48 M81 L83 D90 E92	Q6-Y94 PolarHBondContact NE2-O 3.5Å; V37-Y94 CarbonylContact O-C 3.54Å; V37-Y94 WeakPolarHBondContact O-CA 3.41Å; K38-Y94 HydrophobicContact CB-CD1 4.1Å; K38-Y94 HydrophobicContact CB-CE1 3.98Å; K38-Y94 HydrophobicContact CD-CE1 4.09Å; K38-Y94 HydrophobicContact CG-CE1 4.24Å; I48-Y94 HydrophobicContact CD1-CD1 3.6Å; I48-Y94 HydrophobicContact CD1-CE1 3.73Å; M81-Y94 VanDerWaalsContact CE-CB 3.45Å; M81-Y94 HydrophobicContact CE-CD1 3.52Å; M81-Y94 HydrophobicContact CE-CE1 4.4Å; M81-Y94 HydrophobicContact CE-CG 3.62Å; M81-Y94 HydrophobicContact SD-CD1 3.88Å; L83-Y94 HydrophobicContact CD1-CD1 3.97Å; L83-Y94 HydrophobicContact CD1-CD2 4.03Å; L83-Y94 HydrophobicContact CD1-CE1 3.56Å; L83-Y94 HydrophobicContact CD1-CE2 3.67Å; L83-Y94 HydrophobicContact CD1-CG 4.18Å; L83-Y94 VanDerWaalsContact CD1-CZ 3.41Å; L83-Y94 HydrophobicContact CD2-CD1 4.44Å; L83-Y94 HydrophobicContact CD2-CE1 3.85Å; L83-Y94 HydrophobicContact CG-CE1 4.36Å; D90-Y94 WeakPolarHBondContact O-CE2 3.4Å; D90-Y94 PolarHBondContact O-OH 2.79Å; E92-Y94 HydrophobicContact CB-CE2 4.4Å; E92-Y94 VanDerWaalsContact O-CD2 3.29Å; E92-Y94 WeakPolarHBondContact O-CD2 3.5Å; E92-Y94 WeakPolarHBondContact O-CE2 3.41Å
95	Y	95.5	Very high	93.6	Very high	99 Å²	99	70.3 Å²	70.3	39%	0.388	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	146.5	178.3	-59.8	-85	0	0	0	111.6	Q6 C36 V37 Q39 V93	Q6-Y95 VanDerWaalsContact OE1-CA 3.31Å; C36-Y95 WeakPolarHBondContact CA-O 3.38Å; V37-Y95 HydrophobicContact CG2-CD2 4.48Å; V37-Y95 PolarHBondContact N-O 3.14Å; V37-Y95 PolarHBondContact O-N 3.27Å; Q39-Y95 HydrophobicContact CB-CD2 4.28Å; Q39-Y95 HydrophobicContact CB-CE2 3.81Å; Q39-Y95 VanDerWaalsContact OE1-CE2 3.24Å; Q39-Y95 PolarHBondContact OE1-OH 3.31Å; V93-Y95 HydrophobicContact CB-CE2 4Å; V93-Y95 HydrophobicContact CG1-CD2 4.14Å; V93-Y95 HydrophobicContact CG1-CE1 4Å; V93-Y95 HydrophobicContact CG1-CE2 3.43Å; V93-Y95 VanDerWaalsContact CG1-CE2 3.43Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.46Å
96	C	95.8	Very high	93.5	Very high	15 Å²	15	63.9 Å²	63.9	10%	0.101	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	144.6	159.5	61.5	0	0	0	0	110.8	Q6 C22 M34 E35	Q6-C96 VanDerWaalsContact CD-SG 3.58Å; Q6-C96 HydrophobicContact CG-CB 4.45Å; Q6-C96 WeakPolarHBondContact CG-SG 3.48Å; C22-C96 HydrophobicContact CB-CB 3.48Å; C22-C96 VanDerWaalsContact CB-CB 3.48Å; C22-C96 WeakPolarHBondContact CB-SG 3.36Å; C22-C96 WeakPolarHBondContact SG-CB 3.48Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 3.22Å; M34-C96 HydrophobicContact SD-CB 3.76Å; E35-C96 CarbonylContact O-C 3.51Å; E35-C96 VanDerWaalsContact O-CA 3.26Å; E35-C96 WeakPolarHBondContact O-CA 3.29Å
97	A	95	Very high	93.3	Very high	36 Å²	36	67.8 Å²	67.8	30%	0.298	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	158.4	177.6	0	0	0	0	0	111.3	E35	E35-A97 HydrophobicContact CB-CB 4.35Å; E35-A97 PolarHBondContact N-O 3.41Å; E35-A97 PolarHBondContact O-N 3.26Å
98	R	90.3	Very high	93.3	Very high	104 Å²	104	68.4 Å²	68.4	39%	0.392	37%	0.369	S	S	.	.			trans	-131.6	0	176.1	68.8	155.1	-82.4	-150.1	-5.6	112.3	V2 L4 Y27 K33	V2-R98 VanDerWaalsContact CG2-NH1 3.3Å; L4-R98 HydrophobicContact CD1-CB 4.29Å; L4-R98 HydrophobicContact CD1-CG 4.21Å; Y27-R98 VanDerWaalsContact CG-NH1 3.27Å; K33-R98 WeakPolarHBondContact O-CA 3.22Å

Retrieved 98 of 98 residues in 96.3 ms (Link to these results)

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