A0A075B5U1_MOUSE Loading...

Immunoglobulin heavy variable 1-16

AlphaFold DB , UniProt , Accession A0A075B5U1, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-16, Length 98 aa.

						>A0A075B5U1_MOUSE|A0A075B5U1|Ighv1-16
EVQLQQSGPKVVNAGASVKLSCKSSGYSFSRYKMECVKQSHVKSLEWIEHINLFNGITNYNGNFKSKATLTVDISSSTAYMELSRLTSEDSEVYYCAR
					

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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	90	Very high	95.4	Very high	191 Å²	191	96.5 Å²	96.5	89%	0.893	53%	0.533	S	S	*	.				0	141.6	0	-169	178	173.6	0	0	109.1	Q3 G26	E1-Q3 VanDerWaalsContact CD-NE2 3.28Å; E1-Q3 PolarHBondContact OE1-NE2 2.84Å; E1-G26 WeakPolarHBondContact O-CA 3.18Å
2	V	92.8	Very high	95.4	Very high	73 Å²	73	93.7 Å²	93.7	44%	0.442	52%	0.52	S	S	.	.			trans	-87.1	128.9	179	165.4	0	0	0	0	109.4	Y27	V2-Y27 HydrophobicContact CG1-CD1 4.22Å; V2-Y27 HydrophobicContact CG1-CE1 4.46Å
3	Q	95.6	Very high	95.4	Very high	87 Å²	87	97.3 Å²	97.3	41%	0.407	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	148	-179.2	-65.7	-64.8	-19.5	0	0	112.6	E1 S25	E1-Q3 VanDerWaalsContact CD-NE2 3.28Å; E1-Q3 PolarHBondContact OE1-NE2 2.84Å; Q3-S25 PolarHBondContact N-O 2.79Å; Q3-S25 PolarHBondContact O-N 3.43Å
4	L	95.6	Very high	95.3	Very high	44 Å²	44	96.9 Å²	96.9	23%	0.23	55%	0.554	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-126	106.2	169.2	-70.2	-175.8	0	0	0	108.5	Y27 M34 C96 R98	L4-Y27 HydrophobicContact CD2-CE1 4.33Å; L4-M34 HydrophobicContact CD2-CE 3.88Å; L4-C96 WeakPolarHBondContact CD1-O 3.36Å; L4-R98 HydrophobicContact CD1-CB 4.24Å; L4-R98 HydrophobicContact CD1-CG 3.98Å; L4-R98 HydrophobicContact CG-CG 4.42Å
5	Q	97.1	Very high	95.4	Very high	138 Å²	138	94 Å²	94	65%	0.645	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-99.1	107.3	-179	-176.7	60.8	61.4	0	0	110.3	C22 K23	Q5-C22 WeakPolarHBondContact O-CA 3.12Å; Q5-K23 PolarHBondContact N-O 3.21Å; Q5-K23 PolarHBondContact O-N 3.33Å
6	Q	97.3	Very high	95.5	Very high	47 Å²	47	90.2 Å²	90.2	22%	0.22	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	154.7	175.5	-73.8	-178.6	-122.5	0	0	112.5	S21 C22 Y94 C96	Q6-S21 CarbonylContact C-O 3.54Å; Q6-S21 WeakPolarHBondContact CA-O 3.33Å; Q6-C22 HydrophobicContact CG-CB 4.04Å; Q6-Y94 PolarHBondContact NE2-O 3.27Å; Q6-C96 HydrophobicContact CG-CB 4.24Å
7	S	96.5	Very high	95.5	Very high	31 Å²	31	88.6 Å²	88.6	22%	0.217	53%	0.531	C	S	.	.			trans	-58.8	147.4	165.2	55.1	0	0	0	0	110.4	S21	S7-S21 PolarHBondContact N-O 3.43Å; S7-S21 PolarHBondContact OG-N 2.86Å
8	G	96.7	Very high	95.6	Very high	50 Å²	50	84.6 Å²	84.6	52%	0.515	51%	0.507	S	S	.	.			trans	-64.3	177.9	176.4	0	0	0	0	0	114
9	P	96	Very high	95.7	Very high	140 Å²	140	85.3 Å²	85.3	91%	0.909	50%	0.503	S	S	*	.			trans	-55.5	145.3	179.6	-23.1	33.4	0	0	0	112.2
10	K	96.1	Very high	95.7	Very high	112 Å²	112	82.3 Å²	82.3	49%	0.487	48%	0.484	S	S	.	.			trans	-128.8	133.6	176.7	-64.5	-165.5	176.8	-170.9	0	110.2	V18 K19 L20	K10-V18 HydrophobicContact CB-CG2 3.91Å; K10-V18 HydrophobicContact CD-CG2 3.31Å; K10-V18 HydrophobicContact CG-CG2 4.21Å; K10-K19 PolarHBondContact NZ-O 3.48Å; K10-L20 HydrophobicContact CD-CD2 3.71Å; K10-L20 HydrophobicContact CG-CD2 4.04Å
11	V	96	Very high	95.8	Very high	149 Å²	149	80.2 Å²	80.2	90%	0.903	47%	0.474	S	S	*	.			trans	-109.3	127.6	172.3	-175.5	0	0	0	0	107.3
12	V	95.8	Very high	96.1	Very high	62 Å²	62	71.1 Å²	71.1	38%	0.376	43%	0.431	S	S	.	.			trans	-137.7	158.1	-179.3	-61.8	0	0	0	0	109.8	A16 V18 L86	V12-A16 HydrophobicContact CB-CB 4.06Å; V12-A16 HydrophobicContact CG2-CB 4.37Å; V12-V18 HydrophobicContact CG1-CB 4.26Å; V12-V18 HydrophobicContact CG1-CG2 4.18Å; V12-L86 HydrophobicContact CG2-CD1 3.58Å
13	N	95.3	Very high	96.4	Very high	141 Å²	141	73.6 Å²	73.6	75%	0.754	44%	0.436	S	S	*	.			trans	-73.4	154.8	175.6	-65.7	-30.1	0	0	0	111.1	G15 A16	N13-G15 PolarHBondContact O-N 3.41Å; N13-A16 WeakPolarHBondContact O-CB 3.11Å; N13-A16 PolarHBondContact O-N 3.08Å; N13-A16 VanDerWaalsContact O-N 3.08Å
14	A	94.2	Very high	96.4	Very high	92 Å²	92	69.7 Å²	69.7	76%	0.76	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	139.3	170.6	0	0	0	0	0	110.9	A16	A14-A16 PolarHBondContact O-N 2.78Å
15	G	95.7	Very high	96.4	Very high	53 Å²	53	70.6 Å²	70.6	55%	0.546	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	-10.9	-174.7	0	0	0	0	0	114.8	N13 L86	N13-G15 PolarHBondContact O-N 3.41Å; G15-L86 PolarHBondContact N-O 2.91Å
16	A	97.1	Very high	96.3	Very high	33 Å²	33	66.7 Å²	66.7	27%	0.273	43%	0.425	S	S	.	.			trans	-72.7	165.3	177.1	0	0	0	0	0	112.4	V12 N13 A14 R85 L86	V12-A16 HydrophobicContact CB-CB 4.06Å; V12-A16 HydrophobicContact CG2-CB 4.37Å; N13-A16 WeakPolarHBondContact O-CB 3.11Å; N13-A16 PolarHBondContact O-N 3.08Å; N13-A16 VanDerWaalsContact O-N 3.08Å; A14-A16 PolarHBondContact O-N 2.78Å; A16-R85 PolarHBondContact O-N 3.23Å; A16-L86 WeakPolarHBondContact O-CB 3.38Å; A16-L86 PolarHBondContact O-N 3.46Å
17	S	96.4	Very high	96.1	Very high	64 Å²	64	66.2 Å²	66.2	45%	0.448	42%	0.422	S	S	.	.			trans	-107.3	150.7	168.2	-58	0	0	0	0	110.3	L83 S84	S17-L83 CarbonylContact C-O 3.44Å; S17-L83 WeakPolarHBondContact CA-O 3.44Å; S17-L83 WeakPolarHBondContact CB-O 3.28Å; S17-S84 WeakPolarHBondContact OG-CA 3.32Å
18	V	97	Very high	95.9	Very high	16 Å²	16	67.5 Å²	67.5	10%	0.097	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.9	175.1	76.5	0	0	0	0	110.3	K10 V12 L20 E82 L83 L86	K10-V18 HydrophobicContact CB-CG2 3.91Å; K10-V18 HydrophobicContact CD-CG2 3.31Å; K10-V18 HydrophobicContact CG-CG2 4.21Å; V12-V18 HydrophobicContact CG1-CB 4.26Å; V12-V18 HydrophobicContact CG1-CG2 4.18Å; V18-L20 HydrophobicContact CG2-CD2 4.23Å; V18-E82 CarbonylContact O-C 3.56Å; V18-E82 WeakPolarHBondContact O-CA 3.36Å; V18-L83 HydrophobicContact CG1-CB 4.09Å; V18-L83 HydrophobicContact CG1-CD1 4.14Å; V18-L83 HydrophobicContact CG1-CG 4.46Å; V18-L83 PolarHBondContact N-O 2.81Å; V18-L83 PolarHBondContact O-N 2.83Å; V18-L86 HydrophobicContact CB-CD1 4.06Å; V18-L86 HydrophobicContact CG1-CD1 3.7Å
19	K	96.8	Very high	95.7	Very high	98 Å²	98	65.4 Å²	65.4	43%	0.426	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	116	172.2	-171.8	170.7	-176.1	170	0	109.9	K10 Y80 M81	K10-K19 PolarHBondContact NZ-O 3.48Å; K19-Y80 HydrophobicContact CD-CD1 4.34Å; K19-Y80 VanDerWaalsContact CE-CD1 3.47Å; K19-Y80 VanDerWaalsContact CE-CG 3.41Å; K19-Y80 HydrophobicContact CG-CD1 4.26Å; K19-M81 WeakPolarHBondContact CA-O 3.27Å
20	L	96.9	Very high	95.6	Very high	24 Å²	24	61 Å²	61	13%	0.126	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	144.6	174.6	-58.7	-178.7	0	0	0	109.1	K10 V18 Y80 M81 Y94	K10-L20 HydrophobicContact CD-CD2 3.71Å; K10-L20 HydrophobicContact CG-CD2 4.04Å; V18-L20 HydrophobicContact CG2-CD2 4.23Å; L20-Y80 CarbonylContact O-C 3.44Å; L20-Y80 WeakPolarHBondContact O-CA 3.33Å; L20-M81 HydrophobicContact CB-CE 4.31Å; L20-M81 HydrophobicContact CD1-CE 3.58Å; L20-M81 HydrophobicContact CG-CE 4.31Å; L20-M81 PolarHBondContact N-O 2.86Å; L20-M81 PolarHBondContact O-N 2.9Å; L20-Y94 HydrophobicContact CD1-CG 4.49Å
21	S	97.4	Very high	95.5	Very high	39 Å²	39	64.5 Å²	64.5	27%	0.273	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	147.6	178.6	62.1	0	0	0	0	110.8	Q6 S7 A79	Q6-S21 CarbonylContact C-O 3.54Å; Q6-S21 WeakPolarHBondContact CA-O 3.33Å; S7-S21 PolarHBondContact N-O 3.43Å; S7-S21 PolarHBondContact OG-N 2.86Å; S21-A79 CarbonylContact C-O 3.59Å; S21-A79 WeakPolarHBondContact CA-O 3.35Å
22	C	96.9	Very high	95.3	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	111	170.4	179.7	0	0	0	0	109.7	Q5 Q6 T78 A79 C96	Q5-C22 WeakPolarHBondContact O-CA 3.12Å; Q6-C22 HydrophobicContact CG-CB 4.04Å; C22-T78 CarbonylContact O-C 3.58Å; C22-T78 WeakPolarHBondContact O-CA 3.41Å; C22-A79 PolarHBondContact N-O 2.92Å; C22-A79 PolarHBondContact O-N 3.39Å; C22-C96 HydrophobicContact CB-CB 3.52Å; C22-C96 WeakPolarHBondContact CB-SG 3.32Å; C22-C96 WeakPolarHBondContact SG-CB 2.9Å
23	K	97.1	Very high	95.2	Very high	125 Å²	125	63.3 Å²	63.3	54%	0.543	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	125.9	178.3	-169.6	176.1	-176.2	177.8	0	110.1	Q5	Q5-K23 PolarHBondContact N-O 3.21Å; Q5-K23 PolarHBondContact O-N 3.33Å
24	S	96.3	Very high	95.2	Very high	6 Å²	6	56.6 Å²	56.6	4%	0.042	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	143.6	177	143.9	0	0	0	0	111.1	Y27 S77	S24-Y27 VanDerWaalsContact CB-OH 3.31Å; S24-Y27 WeakPolarHBondContact CB-OH 3.48Å; S24-Y27 WeakPolarHBondContact OG-CE1 3.48Å; S24-Y27 PolarHBondContact OG-OH 2.82Å; S24-S77 WeakPolarHBondContact CB-O 3.47Å; S24-S77 PolarHBondContact N-O 2.84Å
25	S	96.2	Very high	95.3	Very high	62 Å²	62	55 Å²	55	43%	0.434	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	159.5	165.7	69.7	0	0	0	0	112.2	Q3 Y27	Q3-S25 PolarHBondContact N-O 2.79Å; Q3-S25 PolarHBondContact O-N 3.43Å; S25-Y27 WeakPolarHBondContact O-CD1 3.31Å
26	G	95.4	Very high	95.3	Very high	56 Å²	56	52.5 Å²	52.5	58%	0.577	28%	0.28	S	S	*	.	S	Bend	trans	83.7	11.5	178.1	0	0	0	0	0	115.9	E1	E1-G26 WeakPolarHBondContact O-CA 3.18Å
27	Y	92.7	Very high	95.2	Very high	38 Å²	38	52 Å²	52	15%	0.149	27%	0.273	C	S	.	.	S	Bend	trans	-157	167.5	175.4	68.4	-80.5	0	0	0	112	V2 L4 S24 S25 F29 Y32 R98	V2-Y27 HydrophobicContact CG1-CD1 4.22Å; V2-Y27 HydrophobicContact CG1-CE1 4.46Å; L4-Y27 HydrophobicContact CD2-CE1 4.33Å; S24-Y27 VanDerWaalsContact CB-OH 3.31Å; S24-Y27 WeakPolarHBondContact CB-OH 3.48Å; S24-Y27 WeakPolarHBondContact OG-CE1 3.48Å; S24-Y27 PolarHBondContact OG-OH 2.82Å; S25-Y27 WeakPolarHBondContact O-CD1 3.31Å; Y27-F29 HydrophobicContact CE2-CD2 4.28Å; Y27-F29 PolarHBondContact O-N 2.92Å; Y27-F29 VanDerWaalsContact O-N 3.14Å; Y27-Y32 AromaticContact CD2-CD2 3.45Å; Y27-Y32 HydrophobicContact CD2-CD2 3.45Å; Y27-Y32 VanDerWaalsContact CD2-CD2 3.45Å; Y27-Y32 AromaticContact CD2-CE2 3.87Å; Y27-Y32 HydrophobicContact CD2-CE2 3.87Å; Y27-Y32 HydrophobicContact CD2-CG 4.16Å; Y27-Y32 AromaticContact CE2-CD2 3.84Å; Y27-Y32 HydrophobicContact CE2-CD2 3.84Å; Y27-Y32 HydrophobicContact CE2-CG 4.16Å; Y27-R98 VanDerWaalsContact CB-NH1 3.25Å; Y27-R98 VanDerWaalsContact CD2-CZ 3.42Å; Y27-R98 VanDerWaalsContact CE1-NH1 3.3Å; Y27-R98 VanDerWaalsContact CG-CZ 3.41Å
28	S	93.2	Very high	95.1	Very high	57 Å²	57	49.9 Å²	49.9	40%	0.399	26%	0.256	S	S	.	.			trans	-76.4	97.2	172.7	-177.8	0	0	0	0	109.8	S30 R31 Y32	S28-S30 VanDerWaalsContact C-N 3.28Å; S28-S30 PolarHBondContact O-N 2.73Å; S28-R31 PolarHBondContact O-N 2.81Å; S28-Y32 WeakPolarHBondContact O-CD2 3.24Å
29	F	92.1	Very high	95	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.026	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-48.8	-47.6	-175.6	-177.5	-118.1	0	0	0	112.7	Y27 R31 Y32 M34 L53 V72	Y27-F29 HydrophobicContact CE2-CD2 4.28Å; Y27-F29 PolarHBondContact O-N 2.92Å; Y27-F29 VanDerWaalsContact O-N 3.14Å; F29-R31 PolarHBondContact O-N 3.46Å; F29-Y32 PolarHBondContact O-N 3.24Å; F29-M34 HydrophobicContact CE2-CE 3.77Å; F29-L53 HydrophobicContact CD1-CD1 3.87Å; F29-L53 HydrophobicContact CD2-CD1 3.68Å; F29-L53 HydrophobicContact CE1-CD1 3.69Å; F29-L53 HydrophobicContact CE1-CD2 3.9Å; F29-L53 HydrophobicContact CE1-CG 4.45Å; F29-L53 HydrophobicContact CE2-CD1 3.48Å; F29-L53 VanDerWaalsContact CE2-CD1 3.48Å; F29-L53 HydrophobicContact CG-CD1 3.88Å; F29-L53 HydrophobicContact CZ-CD1 3.49Å; F29-L53 VanDerWaalsContact CZ-CD1 3.49Å; F29-L53 HydrophobicContact CZ-CD2 4.05Å; F29-L53 HydrophobicContact CZ-CG 4.45Å; F29-L53 WeakPolarHBondContact O-CD1 3.29Å; F29-V72 HydrophobicContact CE1-CB 4.45Å; F29-V72 HydrophobicContact CZ-CB 4.5Å; F29-V72 HydrophobicContact CZ-CG1 4.48Å
30	S	93.1	Very high	94.6	Very high	47 Å²	47	47.7 Å²	47.7	33%	0.329	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-64.6	-7.3	-178.3	57.8	0	0	0	0	115.8	S28 L53 F54	S28-S30 VanDerWaalsContact C-N 3.28Å; S28-S30 PolarHBondContact O-N 2.73Å; S30-L53 CarbonylContact O-C 3.5Å; S30-L53 VanDerWaalsContact O-C 3.28Å; S30-F54 VanDerWaalsContact O-CA 3.25Å; S30-F54 WeakPolarHBondContact O-CA 3.23Å; S30-F54 PolarHBondContact O-N 2.99Å
31	R	93.1	Very high	93.9	Very high	187 Å²	187	53.4 Å²	53.4	71%	0.706	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-97	-3	179.9	-67.8	-171.3	176.7	-165.6	-0.5	114.5	S28 F29	S28-R31 PolarHBondContact O-N 2.81Å; F29-R31 PolarHBondContact O-N 3.46Å
32	Y	92.7	Very high	93.4	Very high	103 Å²	103	57.5 Å²	57.5	40%	0.404	30%	0.297	S	S	.	.	S	Bend	trans	-123.3	170	-174.5	-67.8	-92.2	0	0	0	111.7	Y27 S28 F29 L53 R98	Y27-Y32 AromaticContact CD2-CD2 3.45Å; Y27-Y32 HydrophobicContact CD2-CD2 3.45Å; Y27-Y32 VanDerWaalsContact CD2-CD2 3.45Å; Y27-Y32 AromaticContact CD2-CE2 3.87Å; Y27-Y32 HydrophobicContact CD2-CE2 3.87Å; Y27-Y32 HydrophobicContact CD2-CG 4.16Å; Y27-Y32 AromaticContact CE2-CD2 3.84Å; Y27-Y32 HydrophobicContact CE2-CD2 3.84Å; Y27-Y32 HydrophobicContact CE2-CG 4.16Å; S28-Y32 WeakPolarHBondContact O-CD2 3.24Å; F29-Y32 PolarHBondContact O-N 3.24Å; Y32-L53 WeakPolarHBondContact O-CB 3.44Å; Y32-L53 WeakPolarHBondContact O-CD1 3.39Å; Y32-L53 WeakPolarHBondContact O-CG 3.43Å; Y32-L53 PolarHBondContact O-N 3.26Å; Y32-L53 VanDerWaalsContact O-N 3.15Å; Y32-R98 VanDerWaalsContact CD1-NH2 3.3Å; Y32-R98 VanDerWaalsContact CE2-NH2 3.27Å
33	K	94.5	Very high	92.6	Very high	83 Å²	83	65.6 Å²	65.6	36%	0.361	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	153.8	167.2	-61.1	-174.1	-179.8	-177.8	0	109	I51 N52 R98	K33-I51 CarbonylContact C-O 3.58Å; K33-I51 VanDerWaalsContact CA-O 3.28Å; K33-I51 WeakPolarHBondContact CA-O 3.21Å; K33-N52 HydrophobicContact CG-CB 4.17Å; K33-R98 WeakPolarHBondContact O-CA 3.48Å
34	M	95.7	Very high	92.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.4	160.7	-178.7	61.2	55.3	0	0	107.9	L4 F29 H50 I51 L53 L70 A79 C96 A97	L4-M34 HydrophobicContact CD2-CE 3.88Å; F29-M34 HydrophobicContact CE2-CE 3.77Å; M34-H50 CarbonylContact O-C 3.58Å; M34-H50 WeakPolarHBondContact O-CA 3.38Å; M34-H50 WeakPolarHBondContact O-CB 2.9Å; M34-I51 HydrophobicContact CB-CG2 3.92Å; M34-I51 PolarHBondContact N-O 3.1Å; M34-I51 PolarHBondContact O-N 2.71Å; M34-L53 HydrophobicContact CB-CD1 4.46Å; M34-L70 HydrophobicContact CG-CD2 4.37Å; M34-A79 HydrophobicContact CB-CB 4.45Å; M34-A79 HydrophobicContact CE-CB 4.4Å; M34-A79 HydrophobicContact CG-CB 3.53Å; M34-A79 HydrophobicContact SD-CB 4.24Å; M34-C96 HydrophobicContact SD-CB 3.89Å; M34-A97 WeakPolarHBondContact CA-O 3.34Å
35	E	95.6	Very high	92	Very high	58 Å²	58	67.5 Å²	67.5	27%	0.271	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	146.7	-179.4	-45.4	-164.9	166.5	0	0	110.4	E49 H50 C96 A97	E35-E49 WeakPolarHBondContact CA-O 3.44Å; E35-H50 HydrophobicContact CB-CB 4.21Å; E35-H50 HydrophobicContact CG-CB 3.81Å; E35-C96 CarbonylContact O-C 3.28Å; E35-C96 VanDerWaalsContact O-CA 3.27Å; E35-C96 WeakPolarHBondContact O-CA 3.41Å; E35-A97 HydrophobicContact CB-CB 4.3Å; E35-A97 PolarHBondContact N-O 2.83Å; E35-A97 PolarHBondContact O-N 2.85Å
36	C	94.9	Very high	91.9	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.9	169.2	-70.5	0	0	0	0	109.9	I48 E49 L70 M81 Y95	C36-I48 HydrophobicContact CB-CB 4.16Å; C36-I48 HydrophobicContact CB-CD1 4.35Å; C36-I48 WeakPolarHBondContact O-CB 3.49Å; C36-I48 PolarHBondContact O-N 2.92Å; C36-E49 PolarHBondContact N-O 3.37Å; C36-L70 VanDerWaalsContact SG-CD1 3.54Å; C36-M81 HydrophobicContact CB-CG 4.41Å; C36-M81 HydrophobicContact CB-SD 3.68Å; C36-Y95 WeakPolarHBondContact CA-O 3.38Å
37	V	95.2	Very high	91.8	Very high	22 Å²	22	68 Å²	68	13%	0.133	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.6	-177.7	-175.5	0	0	0	0	108.8	L45 E46 Y94 Y95	V37-L45 HydrophobicContact CG1-CB 4.06Å; V37-L45 HydrophobicContact CG1-CD2 3.97Å; V37-E46 WeakPolarHBondContact CA-O 3.34Å; V37-Y94 CarbonylContact O-C 3.49Å; V37-Y94 WeakPolarHBondContact O-CA 3.43Å; V37-Y95 PolarHBondContact N-O 2.95Å; V37-Y95 PolarHBondContact O-N 3.04Å
38	K	94.5	Very high	91.9	Very high	21 Å²	21	66.2 Å²	66.2	9%	0.091	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	131.3	169.3	-169.1	-176	67.5	169.2	0	108.8	E46 I48 F64 E92 V93 Y94	K38-E46 HydrophobicContact CB-CB 4.37Å; K38-E46 WeakPolarHBondContact CE-OE1 3.24Å; K38-E46 PolarHBondContact N-O 2.85Å; K38-E46 IonicContact NZ-OE1 2.79Å; K38-E46 PolarHBondContact NZ-OE1 2.82Å; K38-E46 IonicContact NZ-OE2 3.81Å; K38-E46 PolarHBondContact O-N 3.42Å; K38-I48 HydrophobicContact CB-CD1 4.07Å; K38-I48 HydrophobicContact CB-CG1 4.31Å; K38-F64 HydrophobicContact CD-CE1 4.21Å; K38-F64 HydrophobicContact CD-CZ 4.33Å; K38-E92 HydrophobicContact CD-CB 3.98Å; K38-E92 HydrophobicContact CD-CG 4.15Å; K38-E92 HydrophobicContact CG-CB 3.8Å; K38-E92 HydrophobicContact CG-CG 4.42Å; K38-V93 CarbonylContact C-O 3.56Å; K38-V93 WeakPolarHBondContact CA-O 3.33Å; K38-Y94 HydrophobicContact CB-CD1 4.17Å; K38-Y94 HydrophobicContact CB-CE1 4.04Å; K38-Y94 HydrophobicContact CD-CE1 4.03Å; K38-Y94 HydrophobicContact CG-CD1 4.2Å; K38-Y94 HydrophobicContact CG-CE1 3.79Å
39	Q	94.4	Very high	92	Very high	55 Å²	55	64.2 Å²	64.2	26%	0.257	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	115.6	165	-178	176.5	50.1	0	0	108.3	S44 L45 V93 Y95	Q39-S44 WeakPolarHBondContact CA-O 3.27Å; Q39-L45 HydrophobicContact CB-CD2 3.86Å; Q39-L45 HydrophobicContact CG-CD2 4.09Å; Q39-V93 HydrophobicContact CB-CB 4.39Å; Q39-V93 PolarHBondContact N-O 3.14Å; Q39-V93 PolarHBondContact O-N 3.23Å; Q39-Y95 HydrophobicContact CB-CD2 4.15Å; Q39-Y95 HydrophobicContact CB-CE2 3.73Å; Q39-Y95 PolarHBondContact OE1-OH 3.4Å
40	S	88.2	Confident	92.1	Very high	12 Å²	12	65.2 Å²	65.2	8%	0.084	31%	0.311	C	S	.	.			trans	-74.9	164.3	177.3	70.4	0	0	0	0	112	V42 K43 S44 E92	S40-V42 PolarHBondContact O-N 3.23Å; S40-V42 VanDerWaalsContact O-N 3.13Å; S40-V42 WeakPolarHBondContact OG-CG2 3.2Å; S40-V42 PolarHBondContact OG-N 2.86Å; S40-K43 WeakPolarHBondContact O-CA 3.33Å; S40-K43 PolarHBondContact O-N 3.02Å; S40-S44 PolarHBondContact N-O 3.45Å; S40-S44 PolarHBondContact OG-N 2.68Å; S40-S44 PolarHBondContact OG-O 3.38Å; S40-S44 PolarHBondContact OG-OG 3.04Å; S40-E92 VanDerWaalsContact CA-OE2 3.23Å; S40-E92 WeakPolarHBondContact CA-OE2 3.25Å
41	H	83.3	Confident	92.2	Very high	144 Å²	144	63.8 Å²	63.8	67%	0.667	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-26	173.7	-68.4	155	0	0	0	113.6	K43 S91 E92	H41-K43 PolarHBondContact O-N 2.88Å; H41-S91 PolarHBondContact CE1-O 2.86Å; H41-S91 PolarHBondContact NE2-O 3.41Å; H41-E92 IonicContact CD2-OE1 3.71Å; H41-E92 IonicContact CD2-OE2 2.97Å; H41-E92 PolarHBondContact CD2-OE2 3Å; H41-E92 IonicContact CE1-OE1 3.97Å; H41-E92 IonicContact CE1-OE2 2.81Å; H41-E92 IonicContact CG-OE1 3.33Å; H41-E92 IonicContact CG-OE2 3.39Å; H41-E92 VanDerWaalsContact N-CD 3.3Å; H41-E92 PolarHBondContact N-OE1 3.1Å; H41-E92 VanDerWaalsContact N-OE1 3.11Å; H41-E92 PolarHBondContact N-OE2 3.26Å; H41-E92 IonicContact ND1-OE1 3.38Å; H41-E92 PolarHBondContact ND1-OE1 3.18Å; H41-E92 IonicContact ND1-OE2 3.98Å; H41-E92 IonicContact NE2-OE2 3.46Å; H41-E92 PolarHBondContact NE2-OE2 3.03Å
42	V	86.2	Confident	92.3	Very high	125 Å²	125	56.5 Å²	56.5	76%	0.758	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	10.9	173.6	-60.9	0	0	0	0	113.2	S40 S44	S40-V42 PolarHBondContact O-N 3.23Å; S40-V42 VanDerWaalsContact O-N 3.13Å; S40-V42 WeakPolarHBondContact OG-CG2 3.2Å; S40-V42 PolarHBondContact OG-N 2.86Å; V42-S44 PolarHBondContact O-N 2.85Å
43	K	80.2	Confident	92.3	Very high	170 Å²	170	52.2 Å²	52.2	74%	0.739	26%	0.258	S	S	*	.			trans	60.9	20	-178.5	-56.6	-178.1	178.9	179.9	0	114.3	S40 H41	S40-K43 WeakPolarHBondContact O-CA 3.33Å; S40-K43 PolarHBondContact O-N 3.02Å; H41-K43 PolarHBondContact O-N 2.88Å
44	S	89.6	Confident	92.2	Very high	52 Å²	52	55.9 Å²	55.9	36%	0.364	27%	0.274	S	S	.	.			trans	-76.8	140.8	168.1	67.9	0	0	0	0	109.7	Q39 S40 V42	Q39-S44 WeakPolarHBondContact CA-O 3.27Å; S40-S44 PolarHBondContact N-O 3.45Å; S40-S44 PolarHBondContact OG-N 2.68Å; S40-S44 PolarHBondContact OG-O 3.38Å; S40-S44 PolarHBondContact OG-OG 3.04Å; V42-S44 PolarHBondContact O-N 2.85Å
45	L	92.2	Very high	92.1	Very high	120 Å²	120	59.9 Å²	59.9	63%	0.628	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	122.1	171.7	-66.6	175.5	0	0	0	108.7	V37 Q39	V37-L45 HydrophobicContact CG1-CB 4.06Å; V37-L45 HydrophobicContact CG1-CD2 3.97Å; Q39-L45 HydrophobicContact CB-CD2 3.86Å; Q39-L45 HydrophobicContact CG-CD2 4.09Å
46	E	93.4	Very high	91.8	Very high	55 Å²	55	59.4 Å²	59.4	26%	0.257	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	114.9	175.3	-64.7	-176.7	-105.6	0	0	108.8	V37 K38 I48 F64	V37-E46 WeakPolarHBondContact CA-O 3.34Å; K38-E46 HydrophobicContact CB-CB 4.37Å; K38-E46 WeakPolarHBondContact CE-OE1 3.24Å; K38-E46 PolarHBondContact N-O 2.85Å; K38-E46 IonicContact NZ-OE1 2.79Å; K38-E46 PolarHBondContact NZ-OE1 2.82Å; K38-E46 IonicContact NZ-OE2 3.81Å; K38-E46 PolarHBondContact O-N 3.42Å; E46-I48 PolarHBondContact O-N 3.19Å; E46-F64 HydrophobicContact CB-CE2 4.34Å; E46-F64 HydrophobicContact CB-CZ 4.28Å
47	W	93.8	Very high	91.7	Very high	74 Å²	74	64.1 Å²	64.1	28%	0.28	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	130.5	172.9	176.2	84.5	0	0	0	110.1	E49 H50 N59 Y60 N61	W47-E49 PolarHBondContact NE1-O 2.83Å; W47-H50 AromaticContact CE2-ND1 3.83Å; W47-H50 HydrophobicContact CZ2-CB 4.12Å; W47-H50 AromaticContact CZ2-CG 3.87Å; W47-H50 VanDerWaalsContact CZ2-N 3.33Å; W47-H50 AromaticContact CZ2-ND1 3.26Å; W47-H50 VanDerWaalsContact CZ2-ND1 3.26Å; W47-H50 WeakPolarHBondContact CZ2-ND1 3.49Å; W47-H50 AromaticContact NE1-ND1 3.92Å; W47-N59 VanDerWaalsContact CH2-C 3.44Å; W47-N59 HydrophobicContact CH2-CB 4.1Å; W47-N59 VanDerWaalsContact CH2-O 3.27Å; W47-N59 WeakPolarHBondContact CH2-O 3.2Å; W47-N59 HydrophobicContact CZ2-CB 4.43Å; W47-N59 VanDerWaalsContact CZ2-O 3.29Å; W47-N59 WeakPolarHBondContact CZ2-O 3.34Å; W47-Y60 VanDerWaalsContact CH2-CA 3.49Å; W47-N61 HydrophobicContact CE3-CB 3.75Å; W47-N61 HydrophobicContact CZ3-CB 3.79Å; W47-N61 VanDerWaalsContact O-CB 3.27Å; W47-N61 WeakPolarHBondContact O-CB 3.34Å; W47-N61 PolarHBondContact O-ND2 2.97Å
48	I	94.7	Very high	91.6	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-62.7	-178.1	-64.1	171.9	0	0	0	109.7	C36 K38 E46 N61 F64 A68 M81 Y94	C36-I48 HydrophobicContact CB-CB 4.16Å; C36-I48 HydrophobicContact CB-CD1 4.35Å; C36-I48 WeakPolarHBondContact O-CB 3.49Å; C36-I48 PolarHBondContact O-N 2.92Å; K38-I48 HydrophobicContact CB-CD1 4.07Å; K38-I48 HydrophobicContact CB-CG1 4.31Å; E46-I48 PolarHBondContact O-N 3.19Å; I48-N61 WeakPolarHBondContact O-CB 3.38Å; I48-N61 PolarHBondContact O-N 3.31Å; I48-F64 HydrophobicContact CB-CG 4.39Å; I48-F64 HydrophobicContact CG1-CD1 4.07Å; I48-F64 HydrophobicContact CG1-CD2 4.27Å; I48-F64 HydrophobicContact CG1-CE1 4.13Å; I48-F64 HydrophobicContact CG1-CE2 4.31Å; I48-F64 HydrophobicContact CG1-CG 4.14Å; I48-F64 HydrophobicContact CG1-CZ 4.25Å; I48-F64 HydrophobicContact CG2-CB 3.86Å; I48-F64 HydrophobicContact CG2-CD1 4.37Å; I48-F64 HydrophobicContact CG2-CG 4.04Å; I48-A68 HydrophobicContact CG2-CB 3.36Å; I48-M81 HydrophobicContact CD1-SD 3.87Å; I48-Y94 HydrophobicContact CD1-CD1 3.6Å; I48-Y94 HydrophobicContact CD1-CE1 3.76Å
49	E	94.7	Very high	91.6	Very high	15 Å²	15	69.7 Å²	69.7	7%	0.07	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	166.9	-179.3	82.4	-167.6	119.3	0	0	110.8	E35 C36 W47 N59 T69 L70	E35-E49 WeakPolarHBondContact CA-O 3.44Å; C36-E49 PolarHBondContact N-O 3.37Å; W47-E49 PolarHBondContact NE1-O 2.83Å; E49-N59 CarbonylContact C-O 3.55Å; E49-N59 WeakPolarHBondContact CA-O 3.16Å; E49-N59 VanDerWaalsContact CB-O 3.24Å; E49-N59 WeakPolarHBondContact CB-O 3.41Å; E49-T69 VanDerWaalsContact OE1-CA 3.24Å; E49-T69 WeakPolarHBondContact OE1-CA 3.27Å; E49-T69 PolarHBondContact OE1-N 3.26Å; E49-L70 HydrophobicContact CG-CB 3.42Å; E49-L70 VanDerWaalsContact CG-CB 3.42Å; E49-L70 HydrophobicContact CG-CD2 3.88Å; E49-L70 HydrophobicContact CG-CG 4.31Å; E49-L70 WeakPolarHBondContact OE1-CA 3.33Å; E49-L70 WeakPolarHBondContact OE1-CB 3.35Å; E49-L70 PolarHBondContact OE1-N 3.06Å; E49-L70 PolarHBondContact OE2-N 3.33Å
50	H	95.3	Very high	91.6	Very high	27 Å²	27	71.8 Å²	71.8	13%	0.125	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	158.6	168.5	71.1	-118.1	0	0	0	111.5	M34 E35 W47 T58 N59	M34-H50 CarbonylContact O-C 3.58Å; M34-H50 WeakPolarHBondContact O-CA 3.38Å; M34-H50 WeakPolarHBondContact O-CB 2.9Å; E35-H50 HydrophobicContact CB-CB 4.21Å; E35-H50 HydrophobicContact CG-CB 3.81Å; W47-H50 AromaticContact CE2-ND1 3.83Å; W47-H50 HydrophobicContact CZ2-CB 4.12Å; W47-H50 AromaticContact CZ2-CG 3.87Å; W47-H50 VanDerWaalsContact CZ2-N 3.33Å; W47-H50 AromaticContact CZ2-ND1 3.26Å; W47-H50 VanDerWaalsContact CZ2-ND1 3.26Å; W47-H50 WeakPolarHBondContact CZ2-ND1 3.49Å; W47-H50 AromaticContact NE1-ND1 3.92Å; H50-T58 WeakPolarHBondContact O-CA 3.37Å; H50-N59 PolarHBondContact N-O 2.78Å; H50-N59 PolarHBondContact O-N 2.92Å
51	I	95.1	Very high	91.8	Very high	17 Å²	17	73.2 Å²	73.2	9%	0.087	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126	169.1	-176.1	163.7	0	0	0	109.4	K33 M34 L53 T58 L70 V72	K33-I51 CarbonylContact C-O 3.58Å; K33-I51 VanDerWaalsContact CA-O 3.28Å; K33-I51 WeakPolarHBondContact CA-O 3.21Å; M34-I51 HydrophobicContact CB-CG2 3.92Å; M34-I51 PolarHBondContact N-O 3.1Å; M34-I51 PolarHBondContact O-N 2.71Å; I51-L53 HydrophobicContact CG2-CD2 4.16Å; I51-L53 PolarHBondContact O-N 2.76Å; I51-T58 HydrophobicContact CB-CG2 3.99Å; I51-T58 HydrophobicContact CD1-CG2 3.81Å; I51-T58 HydrophobicContact CG1-CG2 3.77Å; I51-L70 HydrophobicContact CB-CD2 4.36Å; I51-L70 HydrophobicContact CG2-CD2 3.73Å; I51-L70 HydrophobicContact CG2-CG 4.1Å; I51-V72 HydrophobicContact CD1-CG1 4.18Å; I51-V72 HydrophobicContact CD1-CG2 3.69Å; I51-V72 HydrophobicContact CG2-CG1 3.56Å
52	N	94.3	Very high	92.2	Very high	34 Å²	34	69 Å²	69	18%	0.182	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	106	169.1	-175.4	-14	0	0	0	109	K33 F54 N55 G56 I57	K33-N52 HydrophobicContact CG-CB 4.17Å; N52-F54 PolarHBondContact O-N 3.08Å; N52-F54 WeakPolarHBondContact OD1-CB 3.34Å; N52-F54 PolarHBondContact OD1-N 2.94Å; N52-F54 VanDerWaalsContact OD1-N 3.1Å; N52-N55 VanDerWaalsContact CB-OD1 3.32Å; N52-N55 WeakPolarHBondContact CB-OD1 3.47Å; N52-N55 VanDerWaalsContact CG-OD1 3.25Å; N52-N55 PolarHBondContact ND2-OD1 2.85Å; N52-N55 PolarHBondContact O-N 3.31Å; N52-G56 VanDerWaalsContact O-CA 3.27Å; N52-G56 WeakPolarHBondContact O-CA 3.2Å; N52-G56 PolarHBondContact O-N 2.79Å; N52-I57 PolarHBondContact N-O 2.85Å
53	L	93.4	Very high	92.4	Very high	12 Å²	12	68.9 Å²	68.9	6%	0.063	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-16.3	-174.3	-60.4	165.2	0	0	0	113.1	F29 S30 Y32 M34 I51 V72	F29-L53 HydrophobicContact CD1-CD1 3.87Å; F29-L53 HydrophobicContact CD2-CD1 3.68Å; F29-L53 HydrophobicContact CE1-CD1 3.69Å; F29-L53 HydrophobicContact CE1-CD2 3.9Å; F29-L53 HydrophobicContact CE1-CG 4.45Å; F29-L53 HydrophobicContact CE2-CD1 3.48Å; F29-L53 VanDerWaalsContact CE2-CD1 3.48Å; F29-L53 HydrophobicContact CG-CD1 3.88Å; F29-L53 HydrophobicContact CZ-CD1 3.49Å; F29-L53 VanDerWaalsContact CZ-CD1 3.49Å; F29-L53 HydrophobicContact CZ-CD2 4.05Å; F29-L53 HydrophobicContact CZ-CG 4.45Å; F29-L53 WeakPolarHBondContact O-CD1 3.29Å; S30-L53 CarbonylContact O-C 3.5Å; S30-L53 VanDerWaalsContact O-C 3.28Å; Y32-L53 WeakPolarHBondContact O-CB 3.44Å; Y32-L53 WeakPolarHBondContact O-CD1 3.39Å; Y32-L53 WeakPolarHBondContact O-CG 3.43Å; Y32-L53 PolarHBondContact O-N 3.26Å; Y32-L53 VanDerWaalsContact O-N 3.15Å; M34-L53 HydrophobicContact CB-CD1 4.46Å; I51-L53 HydrophobicContact CG2-CD2 4.16Å; I51-L53 PolarHBondContact O-N 2.76Å; L53-V72 HydrophobicContact CD2-CB 3.83Å; L53-V72 HydrophobicContact CD2-CG1 3.71Å; L53-V72 HydrophobicContact CD2-CG2 3.67Å
54	F	92	Very high	92.9	Very high	160 Å²	160	61.3 Å²	61.3	70%	0.702	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-37.1	178.9	179.9	-104.6	0	0	0	112.4	S30 N52	S30-F54 VanDerWaalsContact O-CA 3.25Å; S30-F54 WeakPolarHBondContact O-CA 3.23Å; S30-F54 PolarHBondContact O-N 2.99Å; N52-F54 PolarHBondContact O-N 3.08Å; N52-F54 WeakPolarHBondContact OD1-CB 3.34Å; N52-F54 PolarHBondContact OD1-N 2.94Å; N52-F54 VanDerWaalsContact OD1-N 3.1Å
55	N	92.8	Very high	92.8	Very high	84 Å²	84	65.1 Å²	65.1	45%	0.449	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130	2.4	-175	63.7	11.2	0	0	0	114.4	N52 I57	N52-N55 VanDerWaalsContact CB-OD1 3.32Å; N52-N55 WeakPolarHBondContact CB-OD1 3.47Å; N52-N55 VanDerWaalsContact CG-OD1 3.25Å; N52-N55 PolarHBondContact ND2-OD1 2.85Å; N52-N55 PolarHBondContact O-N 3.31Å; N55-I57 VanDerWaalsContact ND2-CD1 3.34Å; N55-I57 WeakPolarHBondContact ND2-CD1 3.5Å; N55-I57 PolarHBondContact O-N 2.94Å; N55-I57 WeakPolarHBondContact OD1-CB 3.33Å; N55-I57 WeakPolarHBondContact OD1-CG1 3.43Å; N55-I57 PolarHBondContact OD1-N 2.75Å; N55-I57 VanDerWaalsContact OD1-N 3.11Å
56	G	90.6	Very high	92.6	Very high	48 Å²	48	63 Å²	63	50%	0.495	34%	0.339	S	S	.	.			trans	73	5.4	179.2	0	0	0	0	0	114.9	N52 T58	N52-G56 VanDerWaalsContact O-CA 3.27Å; N52-G56 WeakPolarHBondContact O-CA 3.2Å; N52-G56 PolarHBondContact O-N 2.79Å; G56-T58 PolarHBondContact O-N 2.79Å
57	I	93.2	Very high	92.6	Very high	99 Å²	99	62.9 Å²	62.9	51%	0.508	34%	0.338	S	S	.	.			trans	-68.2	122.8	-179.8	-64.5	178	0	0	0	109.3	N52 N55	N52-I57 PolarHBondContact N-O 2.85Å; N55-I57 VanDerWaalsContact ND2-CD1 3.34Å; N55-I57 WeakPolarHBondContact ND2-CD1 3.5Å; N55-I57 PolarHBondContact O-N 2.94Å; N55-I57 WeakPolarHBondContact OD1-CB 3.33Å; N55-I57 WeakPolarHBondContact OD1-CG1 3.43Å; N55-I57 PolarHBondContact OD1-N 2.75Å; N55-I57 VanDerWaalsContact OD1-N 3.11Å
58	T	92.6	Very high	92.6	Very high	76 Å²	76	59.7 Å²	59.7	47%	0.466	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	145.6	173.8	57.4	0	0	0	0	110.7	H50 I51 G56	H50-T58 WeakPolarHBondContact O-CA 3.37Å; I51-T58 HydrophobicContact CB-CG2 3.99Å; I51-T58 HydrophobicContact CD1-CG2 3.81Å; I51-T58 HydrophobicContact CG1-CG2 3.77Å; G56-T58 PolarHBondContact O-N 2.79Å
59	N	94.3	Very high	92.6	Very high	85 Å²	85	63.2 Å²	63.2	46%	0.455	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	143.2	170.7	-162.1	-5.9	0	0	0	108.3	W47 E49 H50	W47-N59 VanDerWaalsContact CH2-C 3.44Å; W47-N59 HydrophobicContact CH2-CB 4.1Å; W47-N59 VanDerWaalsContact CH2-O 3.27Å; W47-N59 WeakPolarHBondContact CH2-O 3.2Å; W47-N59 HydrophobicContact CZ2-CB 4.43Å; W47-N59 VanDerWaalsContact CZ2-O 3.29Å; W47-N59 WeakPolarHBondContact CZ2-O 3.34Å; E49-N59 CarbonylContact C-O 3.55Å; E49-N59 WeakPolarHBondContact CA-O 3.16Å; E49-N59 VanDerWaalsContact CB-O 3.24Å; E49-N59 WeakPolarHBondContact CB-O 3.41Å; H50-N59 PolarHBondContact N-O 2.78Å; H50-N59 PolarHBondContact O-N 2.92Å
60	Y	93.7	Very high	92.6	Very high	98 Å²	98	63 Å²	63	38%	0.384	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	154	-176.1	57.2	-94.8	0	0	0	111.4	W47 K65	W47-Y60 VanDerWaalsContact CH2-CA 3.49Å; Y60-K65 HydrophobicContact CD2-CB 3.89Å; Y60-K65 HydrophobicContact CD2-CD 4.36Å; Y60-K65 HydrophobicContact CD2-CG 3.93Å; Y60-K65 HydrophobicContact CE2-CB 3.87Å; Y60-K65 HydrophobicContact CE2-CD 3.49Å; Y60-K65 VanDerWaalsContact CE2-CD 3.49Å; Y60-K65 HydrophobicContact CE2-CG 3.52Å; Y60-K65 WeakPolarHBondContact OH-CE 3.27Å; Y60-K65 PolarHBondContact OH-NZ 2.6Å
61	N	92.5	Very high	92.5	Very high	42 Å²	42	64.5 Å²	64.5	23%	0.225	36%	0.359	C	S	.	.			trans	-78.5	128.3	171.3	-176.1	-21.3	0	0	0	108.9	W47 I48 N63 F64 K65	W47-N61 HydrophobicContact CE3-CB 3.75Å; W47-N61 HydrophobicContact CZ3-CB 3.79Å; W47-N61 VanDerWaalsContact O-CB 3.27Å; W47-N61 WeakPolarHBondContact O-CB 3.34Å; W47-N61 PolarHBondContact O-ND2 2.97Å; I48-N61 WeakPolarHBondContact O-CB 3.38Å; I48-N61 PolarHBondContact O-N 3.31Å; N61-N63 PolarHBondContact O-N 3.18Å; N61-N63 VanDerWaalsContact O-N 3.08Å; N61-N63 PolarHBondContact OD1-N 3.47Å; N61-N63 VanDerWaalsContact OD1-N 3.1Å; N61-F64 HydrophobicContact CB-CD2 3.98Å; N61-F64 PolarHBondContact O-N 3.46Å; N61-K65 PolarHBondContact O-N 2.8Å
62	G	92.1	Very high	92.5	Very high	56 Å²	56	65.7 Å²	65.7	58%	0.577	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-53.6	-32	-179.1	0	0	0	0	0	113.5	F64 K65	G62-F64 PolarHBondContact O-N 3.11Å; G62-K65 PolarHBondContact O-N 3.38Å
63	N	89.5	Confident	92.6	Very high	123 Å²	123	66.9 Å²	66.9	66%	0.658	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-63.6	-24	178.4	-66.8	-8.5	0	0	0	113.3	N61	N61-N63 PolarHBondContact O-N 3.18Å; N61-N63 VanDerWaalsContact O-N 3.08Å; N61-N63 PolarHBondContact OD1-N 3.47Å; N61-N63 VanDerWaalsContact OD1-N 3.1Å
64	F	91.5	Very high	92.5	Very high	11 Å²	11	70.8 Å²	70.8	5%	0.048	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-110.8	-4.1	-176.1	-64.8	-87.3	0	0	0	113.6	K38 E46 I48 N61 G62 S66 K67 A68	K38-F64 HydrophobicContact CD-CE1 4.21Å; K38-F64 HydrophobicContact CD-CZ 4.33Å; E46-F64 HydrophobicContact CB-CE2 4.34Å; E46-F64 HydrophobicContact CB-CZ 4.28Å; I48-F64 HydrophobicContact CB-CG 4.39Å; I48-F64 HydrophobicContact CG1-CD1 4.07Å; I48-F64 HydrophobicContact CG1-CD2 4.27Å; I48-F64 HydrophobicContact CG1-CE1 4.13Å; I48-F64 HydrophobicContact CG1-CE2 4.31Å; I48-F64 HydrophobicContact CG1-CG 4.14Å; I48-F64 HydrophobicContact CG1-CZ 4.25Å; I48-F64 HydrophobicContact CG2-CB 3.86Å; I48-F64 HydrophobicContact CG2-CD1 4.37Å; I48-F64 HydrophobicContact CG2-CG 4.04Å; N61-F64 HydrophobicContact CB-CD2 3.98Å; N61-F64 PolarHBondContact O-N 3.46Å; G62-F64 PolarHBondContact O-N 3.11Å; F64-S66 PolarHBondContact O-N 2.91Å; F64-K67 PolarHBondContact O-N 3.4Å; F64-A68 HydrophobicContact CB-CB 4.14Å; F64-A68 PolarHBondContact O-N 3.5Å
65	K	87	Confident	92.6	Very high	132 Å²	132	68.5 Å²	68.5	57%	0.574	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-36.6	-172.6	-174	-177.2	-174.7	163.1	0	114.3	Y60 N61 G62	Y60-K65 HydrophobicContact CD2-CB 3.89Å; Y60-K65 HydrophobicContact CD2-CD 4.36Å; Y60-K65 HydrophobicContact CD2-CG 3.93Å; Y60-K65 HydrophobicContact CE2-CB 3.87Å; Y60-K65 HydrophobicContact CE2-CD 3.49Å; Y60-K65 VanDerWaalsContact CE2-CD 3.49Å; Y60-K65 HydrophobicContact CE2-CG 3.52Å; Y60-K65 WeakPolarHBondContact OH-CE 3.27Å; Y60-K65 PolarHBondContact OH-NZ 2.6Å; N61-K65 PolarHBondContact O-N 2.8Å; G62-K65 PolarHBondContact O-N 3.38Å
66	S	89.2	Confident	92.7	Very high	75 Å²	75	66.4 Å²	66.4	52%	0.524	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-3.9	-178.8	66.4	0	0	0	0	114.2	F64 S84 R85	F64-S66 PolarHBondContact O-N 2.91Å; S66-S84 PolarHBondContact O-OG 3.43Å; S66-R85 PolarHBondContact O-NH2 3.24Å
67	K	92.4	Very high	93	Very high	53 Å²	53	65.8 Å²	65.8	23%	0.23	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-43.2	-174.2	-75.4	-164.6	174.9	-166.9	0	111.9	F64 L83 S84 D90	F64-K67 PolarHBondContact O-N 3.4Å; K67-L83 CarbonylContact O-C 3.48Å; K67-L83 VanDerWaalsContact O-CA 3.28Å; K67-L83 WeakPolarHBondContact O-CA 3.29Å; K67-S84 PolarHBondContact O-N 2.66Å; K67-S84 PolarHBondContact O-OG 2.99Å; K67-D90 VanDerWaalsContact NZ-CG 3.27Å; K67-D90 IonicContact NZ-OD1 2.92Å; K67-D90 PolarHBondContact NZ-OD1 2.84Å; K67-D90 IonicContact NZ-OD2 3.76Å; K67-D90 PolarHBondContact NZ-OD2 3.24Å
68	A	94.1	Very high	93.2	Very high	6 Å²	6	61.5 Å²	61.5	5%	0.05	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	147.2	-173.4	0	0	0	0	0	112.4	I48 F64 E82 L83	I48-A68 HydrophobicContact CG2-CB 3.36Å; F64-A68 HydrophobicContact CB-CB 4.14Å; F64-A68 PolarHBondContact O-N 3.5Å; A68-E82 CarbonylContact C-O 3.49Å; A68-E82 VanDerWaalsContact CA-O 3.31Å; A68-E82 WeakPolarHBondContact CA-O 3.47Å; A68-L83 HydrophobicContact CB-CD2 3.68Å
69	T	94.3	Very high	93.3	Very high	75 Å²	75	58 Å²	58	46%	0.46	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	128.9	171.5	-59.5	0	0	0	0	110.5	E49 T71 M81 E82	E49-T69 VanDerWaalsContact OE1-CA 3.24Å; E49-T69 WeakPolarHBondContact OE1-CA 3.27Å; E49-T69 PolarHBondContact OE1-N 3.26Å; T69-T71 HydrophobicContact CG2-CG2 4.2Å; T69-M81 WeakPolarHBondContact O-CA 3.26Å; T69-E82 PolarHBondContact N-O 2.92Å; T69-E82 PolarHBondContact O-N 2.98Å
70	L	94.6	Very high	93.4	Very high	10 Å²	10	57 Å²	57	5%	0.052	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	120.2	179.6	-178.6	57.8	0	0	0	108.7	M34 C36 E49 I51 A79 Y80	M34-L70 HydrophobicContact CG-CD2 4.37Å; C36-L70 VanDerWaalsContact SG-CD1 3.54Å; E49-L70 HydrophobicContact CG-CB 3.42Å; E49-L70 VanDerWaalsContact CG-CB 3.42Å; E49-L70 HydrophobicContact CG-CD2 3.88Å; E49-L70 HydrophobicContact CG-CG 4.31Å; E49-L70 WeakPolarHBondContact OE1-CA 3.33Å; E49-L70 WeakPolarHBondContact OE1-CB 3.35Å; E49-L70 PolarHBondContact OE1-N 3.06Å; E49-L70 PolarHBondContact OE2-N 3.33Å; I51-L70 HydrophobicContact CB-CD2 4.36Å; I51-L70 HydrophobicContact CG2-CD2 3.73Å; I51-L70 HydrophobicContact CG2-CG 4.1Å; L70-A79 HydrophobicContact CD1-CB 4.07Å; L70-Y80 WeakPolarHBondContact CA-O 3.16Å; L70-Y80 WeakPolarHBondContact CD1-O 3.2Å
71	T	94.2	Very high	93.5	Very high	58 Å²	58	52.4 Å²	52.4	36%	0.356	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	157.6	175	56.4	0	0	0	0	109.6	T69 A79 Y80	T69-T71 HydrophobicContact CG2-CG2 4.2Å; T71-A79 CarbonylContact O-C 3.52Å; T71-A79 WeakPolarHBondContact O-CA 3.07Å; T71-Y80 PolarHBondContact N-O 2.78Å; T71-Y80 PolarHBondContact O-N 2.89Å; T71-Y80 PolarHBondContact OG1-O 2.84Å
72	V	95.1	Very high	93.7	Very high	43 Å²	43	54.4 Å²	54.4	26%	0.261	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	138.2	-175.1	-62.1	0	0	0	0	110.5	F29 I51 L53 A79	F29-V72 HydrophobicContact CE1-CB 4.45Å; F29-V72 HydrophobicContact CZ-CB 4.5Å; F29-V72 HydrophobicContact CZ-CG1 4.48Å; I51-V72 HydrophobicContact CD1-CG1 4.18Å; I51-V72 HydrophobicContact CD1-CG2 3.69Å; I51-V72 HydrophobicContact CG2-CG1 3.56Å; L53-V72 HydrophobicContact CD2-CB 3.83Å; L53-V72 HydrophobicContact CD2-CG1 3.71Å; L53-V72 HydrophobicContact CD2-CG2 3.67Å; V72-A79 HydrophobicContact CG1-CB 4.09Å
73	D	94.6	Very high	93.8	Very high	59 Å²	59	52 Å²	52	32%	0.316	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	101.8	166.1	-177.2	-14.7	0	0	0	107.6	S75 S76 S77 T78 Y80	D73-S75 PolarHBondContact O-N 3.27Å; D73-S75 WeakPolarHBondContact OD1-CA 3.49Å; D73-S75 WeakPolarHBondContact OD1-CB 3.49Å; D73-S75 PolarHBondContact OD1-N 2.76Å; D73-S75 PolarHBondContact OD1-OG 3.19Å; D73-S76 WeakPolarHBondContact CB-OG 3.44Å; D73-S76 VanDerWaalsContact CG-OG 3.31Å; D73-S76 PolarHBondContact O-N 3.36Å; D73-S76 PolarHBondContact OD1-N 2.98Å; D73-S76 PolarHBondContact OD2-OG 3.29Å; D73-S77 WeakPolarHBondContact O-CA 3.28Å; D73-S77 PolarHBondContact O-N 3.23Å; D73-T78 PolarHBondContact N-O 2.92Å; D73-T78 PolarHBondContact O-N 2.78Å; D73-Y80 HydrophobicContact CB-CE2 4.12Å
74	I	92.9	Very high	94.2	Very high	93 Å²	93	47.5 Å²	47.5	48%	0.477	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-34.4	-179.7	-61.7	175.8	0	0	0	110.4	S76 S77	I74-S76 PolarHBondContact O-N 2.84Å; I74-S77 PolarHBondContact O-N 3.11Å
75	S	93.1	Very high	94.3	Very high	113 Å²	113	54.3 Å²	54.3	79%	0.79	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-39	-176.5	77.7	0	0	0	0	111.7	D73	D73-S75 PolarHBondContact O-N 3.27Å; D73-S75 WeakPolarHBondContact OD1-CA 3.49Å; D73-S75 WeakPolarHBondContact OD1-CB 3.49Å; D73-S75 PolarHBondContact OD1-N 2.76Å; D73-S75 PolarHBondContact OD1-OG 3.19Å
76	S	95.5	Very high	94.7	Very high	40 Å²	40	48.8 Å²	48.8	28%	0.28	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-2.9	177.4	76.5	0	0	0	0	113.7	D73 I74 T78	D73-S76 WeakPolarHBondContact CB-OG 3.44Å; D73-S76 VanDerWaalsContact CG-OG 3.31Å; D73-S76 PolarHBondContact O-N 3.36Å; D73-S76 PolarHBondContact OD1-N 2.98Å; D73-S76 PolarHBondContact OD2-OG 3.29Å; I74-S76 PolarHBondContact O-N 2.84Å; S76-T78 VanDerWaalsContact C-N 3.27Å; S76-T78 PolarHBondContact O-N 3.4Å; S76-T78 PolarHBondContact O-OG1 3.49Å; S76-T78 WeakPolarHBondContact OG-CB 3.13Å; S76-T78 PolarHBondContact OG-OG1 3.15Å
77	S	96.1	Very high	94.9	Very high	34 Å²	34	48.2 Å²	48.2	24%	0.238	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	45.5	-169.2	-59.9	0	0	0	0	112.5	S24 D73 I74	S24-S77 WeakPolarHBondContact CB-O 3.47Å; S24-S77 PolarHBondContact N-O 2.84Å; D73-S77 WeakPolarHBondContact O-CA 3.28Å; D73-S77 PolarHBondContact O-N 3.23Å; I74-S77 PolarHBondContact O-N 3.11Å
78	T	97	Very high	94.9	Very high	10 Å²	10	50.7 Å²	50.7	6%	0.061	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	132.3	-176.8	-51.9	0	0	0	0	110.3	C22 D73 S76 Y80	C22-T78 CarbonylContact O-C 3.58Å; C22-T78 WeakPolarHBondContact O-CA 3.41Å; D73-T78 PolarHBondContact N-O 2.92Å; D73-T78 PolarHBondContact O-N 2.78Å; S76-T78 VanDerWaalsContact C-N 3.27Å; S76-T78 PolarHBondContact O-N 3.4Å; S76-T78 PolarHBondContact O-OG1 3.49Å; S76-T78 WeakPolarHBondContact OG-CB 3.13Å; S76-T78 PolarHBondContact OG-OG1 3.15Å; T78-Y80 HydrophobicContact CG2-CD1 4.35Å; T78-Y80 HydrophobicContact CG2-CD2 4.32Å; T78-Y80 HydrophobicContact CG2-CE1 3.79Å; T78-Y80 HydrophobicContact CG2-CE2 3.74Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.45Å
79	A	96.2	Very high	94.7	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.008	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	148.7	165.6	0	0	0	0	0	110.3	S21 C22 M34 L70 T71 V72	S21-A79 CarbonylContact C-O 3.59Å; S21-A79 WeakPolarHBondContact CA-O 3.35Å; C22-A79 PolarHBondContact N-O 2.92Å; C22-A79 PolarHBondContact O-N 3.39Å; M34-A79 HydrophobicContact CB-CB 4.45Å; M34-A79 HydrophobicContact CE-CB 4.4Å; M34-A79 HydrophobicContact CG-CB 3.53Å; M34-A79 HydrophobicContact SD-CB 4.24Å; L70-A79 HydrophobicContact CD1-CB 4.07Å; T71-A79 CarbonylContact O-C 3.52Å; T71-A79 WeakPolarHBondContact O-CA 3.07Å; V72-A79 HydrophobicContact CG1-CB 4.09Å
80	Y	96.5	Very high	94.6	Very high	64 Å²	64	54.4 Å²	54.4	25%	0.251	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	125.4	176.9	-57.5	-87.3	0	0	0	110.2	K19 L20 L70 T71 D73 T78	K19-Y80 HydrophobicContact CD-CD1 4.34Å; K19-Y80 VanDerWaalsContact CE-CD1 3.47Å; K19-Y80 VanDerWaalsContact CE-CG 3.41Å; K19-Y80 HydrophobicContact CG-CD1 4.26Å; L20-Y80 CarbonylContact O-C 3.44Å; L20-Y80 WeakPolarHBondContact O-CA 3.33Å; L70-Y80 WeakPolarHBondContact CA-O 3.16Å; L70-Y80 WeakPolarHBondContact CD1-O 3.2Å; T71-Y80 PolarHBondContact N-O 2.78Å; T71-Y80 PolarHBondContact O-N 2.89Å; T71-Y80 PolarHBondContact OG1-O 2.84Å; D73-Y80 HydrophobicContact CB-CE2 4.12Å; T78-Y80 HydrophobicContact CG2-CD1 4.35Å; T78-Y80 HydrophobicContact CG2-CD2 4.32Å; T78-Y80 HydrophobicContact CG2-CE1 3.79Å; T78-Y80 HydrophobicContact CG2-CE2 3.74Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.45Å
81	M	95.5	Very high	94.5	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	117.1	171.6	-175.7	-175.5	58.9	0	0	108.3	K19 L20 C36 I48 T69 L83 Y94	K19-M81 WeakPolarHBondContact CA-O 3.27Å; L20-M81 HydrophobicContact CB-CE 4.31Å; L20-M81 HydrophobicContact CD1-CE 3.58Å; L20-M81 HydrophobicContact CG-CE 4.31Å; L20-M81 PolarHBondContact N-O 2.86Å; L20-M81 PolarHBondContact O-N 2.9Å; C36-M81 HydrophobicContact CB-CG 4.41Å; C36-M81 HydrophobicContact CB-SD 3.68Å; I48-M81 HydrophobicContact CD1-SD 3.87Å; T69-M81 WeakPolarHBondContact O-CA 3.26Å; M81-L83 HydrophobicContact CE-CD1 4.01Å; M81-L83 HydrophobicContact CE-CD2 4.38Å; M81-L83 HydrophobicContact CE-CG 4.2Å; M81-L83 HydrophobicContact CG-CD2 4.21Å; M81-L83 HydrophobicContact CG-CG 4.41Å; M81-L83 HydrophobicContact SD-CD2 4.1Å; M81-L83 HydrophobicContact SD-CG 4.49Å; M81-Y94 VanDerWaalsContact CE-CB 3.41Å; M81-Y94 HydrophobicContact CE-CD1 3.57Å; M81-Y94 HydrophobicContact CE-CG 3.62Å; M81-Y94 HydrophobicContact SD-CD1 3.93Å
82	E	96	Very high	94.5	Very high	84 Å²	84	56.9 Å²	56.9	39%	0.393	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	121	174.1	-172.4	164.6	-178.4	0	0	109.2	V18 A68 T69	V18-E82 CarbonylContact O-C 3.56Å; V18-E82 WeakPolarHBondContact O-CA 3.36Å; A68-E82 CarbonylContact C-O 3.49Å; A68-E82 VanDerWaalsContact CA-O 3.31Å; A68-E82 WeakPolarHBondContact CA-O 3.47Å; T69-E82 PolarHBondContact N-O 2.92Å; T69-E82 PolarHBondContact O-N 2.98Å
83	L	95.5	Very high	94.5	Very high	5 Å²	5	58.1 Å²	58.1	3%	0.026	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.5	174	-54.3	166.9	0	0	0	108.3	S17 V18 K67 A68 M81 L86 Y94	S17-L83 CarbonylContact C-O 3.44Å; S17-L83 WeakPolarHBondContact CA-O 3.44Å; S17-L83 WeakPolarHBondContact CB-O 3.28Å; V18-L83 HydrophobicContact CG1-CB 4.09Å; V18-L83 HydrophobicContact CG1-CD1 4.14Å; V18-L83 HydrophobicContact CG1-CG 4.46Å; V18-L83 PolarHBondContact N-O 2.81Å; V18-L83 PolarHBondContact O-N 2.83Å; K67-L83 CarbonylContact O-C 3.48Å; K67-L83 VanDerWaalsContact O-CA 3.28Å; K67-L83 WeakPolarHBondContact O-CA 3.29Å; A68-L83 HydrophobicContact CB-CD2 3.68Å; M81-L83 HydrophobicContact CE-CD1 4.01Å; M81-L83 HydrophobicContact CE-CD2 4.38Å; M81-L83 HydrophobicContact CE-CG 4.2Å; M81-L83 HydrophobicContact CG-CD2 4.21Å; M81-L83 HydrophobicContact CG-CG 4.41Å; M81-L83 HydrophobicContact SD-CD2 4.1Å; M81-L83 HydrophobicContact SD-CG 4.49Å; L83-L86 HydrophobicContact CB-CD2 3.75Å; L83-L86 HydrophobicContact CB-CG 4.35Å; L83-L86 HydrophobicContact CD1-CD2 4.27Å; L83-Y94 HydrophobicContact CD1-CD1 3.95Å; L83-Y94 HydrophobicContact CD1-CD2 4.09Å; L83-Y94 HydrophobicContact CD1-CE1 3.56Å; L83-Y94 HydrophobicContact CD1-CE2 3.74Å; L83-Y94 HydrophobicContact CD1-CG 4.2Å; L83-Y94 VanDerWaalsContact CD1-CZ 3.46Å; L83-Y94 HydrophobicContact CD2-CE1 3.99Å; L83-Y94 HydrophobicContact CG-CE1 4.43Å
84	S	96	Very high	94.5	Very high	30 Å²	30	56.3 Å²	56.3	21%	0.21	31%	0.311	C	S	.	.			trans	-120.6	149.5	-174.3	64.8	0	0	0	0	112.4	S17 S66 K67 L86	S17-S84 WeakPolarHBondContact OG-CA 3.32Å; S66-S84 PolarHBondContact O-OG 3.43Å; K67-S84 PolarHBondContact O-N 2.66Å; K67-S84 PolarHBondContact O-OG 2.99Å; S84-L86 VanDerWaalsContact C-N 3.35Å; S84-L86 PolarHBondContact O-N 3.43Å
85	R	95.3	Very high	94.6	Very high	153 Å²	153	56.6 Å²	56.6	58%	0.577	31%	0.307	S	S	*	.	S	Bend	trans	55.1	48.7	176.5	-59.6	176.2	-73.8	-178.9	-4.1	112.3	A16 S66	A16-R85 PolarHBondContact O-N 3.23Å; S66-R85 PolarHBondContact O-NH2 3.24Å
86	L	94.8	Very high	94.7	Very high	17 Å²	17	52 Å²	52	9%	0.089	27%	0.274	C	S	.	.			trans	-63.6	138.9	-173.5	-70.8	168.9	0	0	0	112.4	V12 G15 A16 V18 L83 S84 D90	V12-L86 HydrophobicContact CG2-CD1 3.58Å; G15-L86 PolarHBondContact N-O 2.91Å; A16-L86 WeakPolarHBondContact O-CB 3.38Å; A16-L86 PolarHBondContact O-N 3.46Å; V18-L86 HydrophobicContact CB-CD1 4.06Å; V18-L86 HydrophobicContact CG1-CD1 3.7Å; L83-L86 HydrophobicContact CB-CD2 3.75Å; L83-L86 HydrophobicContact CB-CG 4.35Å; L83-L86 HydrophobicContact CD1-CD2 4.27Å; S84-L86 VanDerWaalsContact C-N 3.35Å; S84-L86 PolarHBondContact O-N 3.43Å; L86-D90 HydrophobicContact CD2-CB 3.43Å; L86-D90 VanDerWaalsContact CD2-CB 3.43Å
87	T	94.2	Very high	94.6	Very high	62 Å²	62	51.8 Å²	51.8	38%	0.38	28%	0.275	S	S	.	.			trans	-114.7	174.6	173.9	64.1	0	0	0	0	110.2	E89 D90	T87-E89 PolarHBondContact O-N 2.79Å; T87-E89 PolarHBondContact OG1-N 2.82Å; T87-D90 PolarHBondContact N-OD2 3.4Å; T87-D90 PolarHBondContact O-N 3.13Å; T87-D90 PolarHBondContact OG1-OD2 2.84Å
88	S	92.2	Very high	94.4	Very high	105 Å²	105	54.4 Å²	54.4	73%	0.734	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-59.1	-28.5	173.5	52.1	0	0	0	0	113	D90 S91	S88-D90 PolarHBondContact O-N 3.31Å; S88-S91 WeakPolarHBondContact O-CB 3.33Å; S88-S91 PolarHBondContact O-N 2.84Å
89	E	89.4	Confident	94.2	Very high	146 Å²	146	56.6 Å²	56.6	68%	0.682	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-70.7	-18	176.9	-61.4	176.4	174.9	0	0	113.1	T87	T87-E89 PolarHBondContact O-N 2.79Å; T87-E89 PolarHBondContact OG1-N 2.82Å
90	D	91.9	Very high	94.1	Very high	13 Å²	13	59.5 Å²	59.5	7%	0.07	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-92.1	-1.2	179.2	-55.6	-65.2	0	0	0	112.1	K67 L86 T87 S88 E92 Y94	K67-D90 VanDerWaalsContact NZ-CG 3.27Å; K67-D90 IonicContact NZ-OD1 2.92Å; K67-D90 PolarHBondContact NZ-OD1 2.84Å; K67-D90 IonicContact NZ-OD2 3.76Å; K67-D90 PolarHBondContact NZ-OD2 3.24Å; L86-D90 HydrophobicContact CD2-CB 3.43Å; L86-D90 VanDerWaalsContact CD2-CB 3.43Å; T87-D90 PolarHBondContact N-OD2 3.4Å; T87-D90 PolarHBondContact O-N 3.13Å; T87-D90 PolarHBondContact OG1-OD2 2.84Å; S88-D90 PolarHBondContact O-N 3.31Å; D90-E92 PolarHBondContact O-N 3.33Å; D90-Y94 WeakPolarHBondContact O-CE2 3.4Å; D90-Y94 PolarHBondContact O-OH 2.99Å
91	S	93.3	Very high	94	Very high	82 Å²	82	59.3 Å²	59.3	57%	0.573	31%	0.308	S	S	*	.			trans	-76.3	70.1	177.2	179.7	0	0	0	0	111.1	H41 S88	H41-S91 PolarHBondContact CE1-O 2.86Å; H41-S91 PolarHBondContact NE2-O 3.41Å; S88-S91 WeakPolarHBondContact O-CB 3.33Å; S88-S91 PolarHBondContact O-N 2.84Å
92	E	93.6	Very high	93.9	Very high	39 Å²	39	62.6 Å²	62.6	18%	0.182	33%	0.326	C	S	.	.	S	Bend	trans	-132	176	-172.5	-66.8	-67.4	-173	0	0	111	K38 S40 H41 D90 Y94	K38-E92 HydrophobicContact CD-CB 3.98Å; K38-E92 HydrophobicContact CD-CG 4.15Å; K38-E92 HydrophobicContact CG-CB 3.8Å; K38-E92 HydrophobicContact CG-CG 4.42Å; S40-E92 VanDerWaalsContact CA-OE2 3.23Å; S40-E92 WeakPolarHBondContact CA-OE2 3.25Å; H41-E92 IonicContact CD2-OE1 3.71Å; H41-E92 IonicContact CD2-OE2 2.97Å; H41-E92 PolarHBondContact CD2-OE2 3Å; H41-E92 IonicContact CE1-OE1 3.97Å; H41-E92 IonicContact CE1-OE2 2.81Å; H41-E92 IonicContact CG-OE1 3.33Å; H41-E92 IonicContact CG-OE2 3.39Å; H41-E92 VanDerWaalsContact N-CD 3.3Å; H41-E92 PolarHBondContact N-OE1 3.1Å; H41-E92 VanDerWaalsContact N-OE1 3.11Å; H41-E92 PolarHBondContact N-OE2 3.26Å; H41-E92 IonicContact ND1-OE1 3.38Å; H41-E92 PolarHBondContact ND1-OE1 3.18Å; H41-E92 IonicContact ND1-OE2 3.98Å; H41-E92 IonicContact NE2-OE2 3.46Å; H41-E92 PolarHBondContact NE2-OE2 3.03Å; D90-E92 PolarHBondContact O-N 3.33Å; E92-Y94 HydrophobicContact CB-CE2 4.28Å; E92-Y94 VanDerWaalsContact O-CD2 3.29Å; E92-Y94 WeakPolarHBondContact O-CD2 3.42Å; E92-Y94 WeakPolarHBondContact O-CE2 3.31Å
93	V	94.1	Very high	93.8	Very high	69 Å²	69	61.3 Å²	61.3	42%	0.418	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	131.9	174.6	-172.1	0	0	0	0	109.7	K38 Q39 Y95	K38-V93 CarbonylContact C-O 3.56Å; K38-V93 WeakPolarHBondContact CA-O 3.33Å; Q39-V93 HydrophobicContact CB-CB 4.39Å; Q39-V93 PolarHBondContact N-O 3.14Å; Q39-V93 PolarHBondContact O-N 3.23Å; V93-Y95 HydrophobicContact CB-CE2 4.06Å; V93-Y95 HydrophobicContact CG1-CD2 4.14Å; V93-Y95 HydrophobicContact CG1-CE1 3.95Å; V93-Y95 HydrophobicContact CG1-CE2 3.47Å; V93-Y95 VanDerWaalsContact CG1-CE2 3.47Å
94	Y	95.2	Very high	93.7	Very high	20 Å²	20	65.1 Å²	65.1	8%	0.078	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	129.1	176.8	-63.5	-97.6	0	0	0	110	Q6 L20 V37 K38 I48 M81 L83 D90 E92	Q6-Y94 PolarHBondContact NE2-O 3.27Å; L20-Y94 HydrophobicContact CD1-CG 4.49Å; V37-Y94 CarbonylContact O-C 3.49Å; V37-Y94 WeakPolarHBondContact O-CA 3.43Å; K38-Y94 HydrophobicContact CB-CD1 4.17Å; K38-Y94 HydrophobicContact CB-CE1 4.04Å; K38-Y94 HydrophobicContact CD-CE1 4.03Å; K38-Y94 HydrophobicContact CG-CD1 4.2Å; K38-Y94 HydrophobicContact CG-CE1 3.79Å; I48-Y94 HydrophobicContact CD1-CD1 3.6Å; I48-Y94 HydrophobicContact CD1-CE1 3.76Å; M81-Y94 VanDerWaalsContact CE-CB 3.41Å; M81-Y94 HydrophobicContact CE-CD1 3.57Å; M81-Y94 HydrophobicContact CE-CG 3.62Å; M81-Y94 HydrophobicContact SD-CD1 3.93Å; L83-Y94 HydrophobicContact CD1-CD1 3.95Å; L83-Y94 HydrophobicContact CD1-CD2 4.09Å; L83-Y94 HydrophobicContact CD1-CE1 3.56Å; L83-Y94 HydrophobicContact CD1-CE2 3.74Å; L83-Y94 HydrophobicContact CD1-CG 4.2Å; L83-Y94 VanDerWaalsContact CD1-CZ 3.46Å; L83-Y94 HydrophobicContact CD2-CE1 3.99Å; L83-Y94 HydrophobicContact CG-CE1 4.43Å; D90-Y94 WeakPolarHBondContact O-CE2 3.4Å; D90-Y94 PolarHBondContact O-OH 2.99Å; E92-Y94 HydrophobicContact CB-CE2 4.28Å; E92-Y94 VanDerWaalsContact O-CD2 3.29Å; E92-Y94 WeakPolarHBondContact O-CD2 3.42Å; E92-Y94 WeakPolarHBondContact O-CE2 3.31Å
95	Y	95.1	Very high	93.5	Very high	100 Å²	100	67.6 Å²	67.6	39%	0.392	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	144.7	179.8	-65.5	-74.9	0	0	0	111	C36 V37 Q39 V93	C36-Y95 WeakPolarHBondContact CA-O 3.38Å; V37-Y95 PolarHBondContact N-O 2.95Å; V37-Y95 PolarHBondContact O-N 3.04Å; Q39-Y95 HydrophobicContact CB-CD2 4.15Å; Q39-Y95 HydrophobicContact CB-CE2 3.73Å; Q39-Y95 PolarHBondContact OE1-OH 3.4Å; V93-Y95 HydrophobicContact CB-CE2 4.06Å; V93-Y95 HydrophobicContact CG1-CD2 4.14Å; V93-Y95 HydrophobicContact CG1-CE1 3.95Å; V93-Y95 HydrophobicContact CG1-CE2 3.47Å; V93-Y95 VanDerWaalsContact CG1-CE2 3.47Å
96	C	95.1	Very high	93.4	Very high	15 Å²	15	61 Å²	61	10%	0.101	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	137.1	163.1	-65.5	0	0	0	0	109.3	L4 Q6 C22 M34 E35	L4-C96 WeakPolarHBondContact CD1-O 3.36Å; Q6-C96 HydrophobicContact CG-CB 4.24Å; C22-C96 HydrophobicContact CB-CB 3.52Å; C22-C96 WeakPolarHBondContact CB-SG 3.32Å; C22-C96 WeakPolarHBondContact SG-CB 2.9Å; M34-C96 HydrophobicContact SD-CB 3.89Å; E35-C96 CarbonylContact O-C 3.28Å; E35-C96 VanDerWaalsContact O-CA 3.27Å; E35-C96 WeakPolarHBondContact O-CA 3.41Å
97	A	94.5	Very high	93.2	Very high	36 Å²	36	64.7 Å²	64.7	30%	0.298	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	161.1	179.7	0	0	0	0	0	111.2	M34 E35	M34-A97 WeakPolarHBondContact CA-O 3.34Å; E35-A97 HydrophobicContact CB-CB 4.3Å; E35-A97 PolarHBondContact N-O 2.83Å; E35-A97 PolarHBondContact O-N 2.85Å
98	R	90.3	Very high	93.1	Very high	89 Å²	89	64.9 Å²	64.9	34%	0.336	35%	0.351	S	S	.	.			trans	-139.6	0	-177.7	64.6	159	-70.7	-161.7	-3.1	112.5	L4 Y27 Y32 K33	L4-R98 HydrophobicContact CD1-CB 4.24Å; L4-R98 HydrophobicContact CD1-CG 3.98Å; L4-R98 HydrophobicContact CG-CG 4.42Å; Y27-R98 VanDerWaalsContact CB-NH1 3.25Å; Y27-R98 VanDerWaalsContact CD2-CZ 3.42Å; Y27-R98 VanDerWaalsContact CE1-NH1 3.3Å; Y27-R98 VanDerWaalsContact CG-CZ 3.41Å; Y32-R98 VanDerWaalsContact CD1-NH2 3.3Å; Y32-R98 VanDerWaalsContact CE2-NH2 3.27Å; K33-R98 WeakPolarHBondContact O-CA 3.48Å

Retrieved 98 of 98 residues in 124.2 ms (Link to these results)

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