A0A075B5V8_MOUSE Loading...

Immunoglobulin heavy variable 1-47

AlphaFold DB , UniProt , Accession A0A075B5V8, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-47, Length 98 aa.

						>A0A075B5V8_MOUSE|A0A075B5V8|Ighv1-47
QVQLQQSGAELVKPGASVKMSCKASGYTFTTYPIEWMKQNHGKSLEWIGNFHPYNDDTKYNEKFKGKATLTVEKSSSTVYLELSRLTSDDSAVYYCAR
					

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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	Q	90	Very high	96.2	Very high	196 Å²	196	101.1 Å²	101.1	92%	0.916	57%	0.571	S	S	*	*				0	135.4	0	-177	176.8	4.7	0	0	108.1	G26	Q1-G26 WeakPolarHBondContact O-CA 3.28Å
2	V	94.9	Very high	96.1	Very high	77 Å²	77	97.4 Å²	97.4	47%	0.467	55%	0.552	S	S	.	*			trans	-79.9	134.6	176.8	173.3	0	0	0	0	109.5	Y27 R98	V2-Y27 HydrophobicContact CG1-CD1 3.92Å; V2-Y27 HydrophobicContact CG1-CE1 4.19Å; V2-Y27 HydrophobicContact CG2-CD1 4.42Å; V2-R98 VanDerWaalsContact CG1-NH1 3.25Å
3	Q	97.3	Very high	96	Very high	103 Å²	103	103.2 Å²	103.2	48%	0.481	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-141.1	147.5	177	-63.7	-178.8	-22.9	0	0	111.6	S25	Q3-S25 PolarHBondContact N-O 2.97Å; Q3-S25 PolarHBondContact O-N 2.81Å
4	L	97.9	Very high	95.9	Very high	51 Å²	51	104.1 Å²	104.1	27%	0.267	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.4	121.8	167.6	-61.8	-179.1	0	0	0	107.9	K23 A24 Y27 I34 R98	L4-K23 WeakPolarHBondContact CA-O 3.36Å; L4-A24 HydrophobicContact CD2-CB 3.76Å; L4-Y27 HydrophobicContact CD2-CE1 4.48Å; L4-I34 HydrophobicContact CD2-CD1 3.9Å; L4-R98 HydrophobicContact CD1-CB 4.08Å
5	Q	98.1	Very high	96	Very high	139 Å²	139	100.7 Å²	100.7	65%	0.65	58%	0.579	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.3	114.6	-179.8	-178.1	61.2	54.3	0	0	109.7	K23	Q5-K23 PolarHBondContact N-O 3.31Å; Q5-K23 PolarHBondContact O-N 2.99Å
6	Q	98.2	Very high	96.1	Very high	49 Å²	49	96.6 Å²	96.6	23%	0.229	56%	0.561	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.5	158.3	176.3	-71	179.9	-116.8	0	0	112.6	S21 C22 Y94 C96	Q6-S21 WeakPolarHBondContact CA-O 3.48Å; Q6-C22 HydrophobicContact CG-CB 4.35Å; Q6-Y94 PolarHBondContact NE2-O 3.1Å; Q6-C96 VanDerWaalsContact CD-N 3.35Å; Q6-C96 HydrophobicContact CG-CB 4.27Å; Q6-C96 WeakPolarHBondContact CG-SG 3.31Å
7	S	97.2	Very high	96.1	Very high	38 Å²	38	94.6 Å²	94.6	27%	0.266	55%	0.553	S	S	.	*			trans	-59.2	158.3	164.2	55	0	0	0	0	111.5	M20 S21	S7-M20 WeakPolarHBondContact OG-CA 3.34Å; S7-S21 WeakPolarHBondContact CB-OG 3.09Å; S7-S21 PolarHBondContact N-O 3.38Å; S7-S21 VanDerWaalsContact N-O 3.14Å; S7-S21 PolarHBondContact N-OG 3Å; S7-S21 PolarHBondContact OG-N 3.28Å; S7-S21 VanDerWaalsContact OG-N 3.14Å
8	G	96.8	Very high	96.2	Very high	62 Å²	62	90.2 Å²	90.2	64%	0.639	53%	0.527	S	S	*	.			trans	-68.8	176.8	179	0	0	0	0	0	113.4
9	A	96.2	Very high	96.3	Very high	114 Å²	114	90.6 Å²	90.6	94%	0.942	52%	0.522	S	S	*	.			trans	-65.1	139.4	175.5	0	0	0	0	0	111.2
10	E	95.5	Very high	96.4	Very high	106 Å²	106	87.1 Å²	87.1	50%	0.495	50%	0.501	S	S	.	.			trans	-124.1	134.1	177.9	-68.5	-174.9	-133.8	0	0	110.2	V18	E10-V18 HydrophobicContact CB-CG2 3.93Å; E10-V18 HydrophobicContact CG-CG2 4.33Å; E10-V18 WeakPolarHBondContact OE2-CG2 3.46Å
11	L	95.8	Very high	96.5	Very high	177 Å²	177	84.4 Å²	84.4	93%	0.927	49%	0.488	S	S	*	.			trans	-107.8	119.5	171.5	-176.9	66.9	0	0	0	108.6
12	V	95.4	Very high	96.9	Very high	57 Å²	57	75.1 Å²	75.1	35%	0.345	44%	0.444	S	S	.	.			trans	-126.8	156.9	-175.7	-62	0	0	0	0	111	A16 V18 L86	V12-A16 HydrophobicContact CB-CB 4.19Å; V12-V18 HydrophobicContact CG1-CB 4.42Å; V12-V18 HydrophobicContact CG1-CG2 4.29Å; V12-L86 HydrophobicContact CG2-CD1 3.48Å; V12-L86 VanDerWaalsContact CG2-CD1 3.48Å
13	K	95	Very high	97.1	Very high	173 Å²	173	76.9 Å²	76.9	75%	0.752	45%	0.445	S	S	*	.			trans	-77.8	151.5	176.8	-64.5	179.9	-178.4	178	0	110.5	G15 A16	K13-G15 PolarHBondContact O-N 3.44Å; K13-A16 WeakPolarHBondContact O-CB 3.41Å; K13-A16 PolarHBondContact O-N 3.46Å; K13-A16 VanDerWaalsContact O-N 3.1Å
14	P	94.6	Very high	97.1	Very high	115 Å²	115	72.2 Å²	72.2	75%	0.747	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	139.5	168.3	-25.6	34.7	0	0	0	111.7	A16	P14-A16 VanDerWaalsContact C-N 3.27Å; P14-A16 PolarHBondContact O-N 2.82Å
15	G	96.5	Very high	97.1	Very high	54 Å²	54	72.1 Å²	72.1	56%	0.557	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-14.7	-175.5	0	0	0	0	0	114.9	K13 L86	K13-G15 PolarHBondContact O-N 3.44Å; G15-L86 PolarHBondContact N-O 2.77Å
16	A	97.7	Very high	97.1	Very high	35 Å²	35	68 Å²	68	29%	0.289	42%	0.423	S	S	.	.			trans	-71	170.9	176.7	0	0	0	0	0	112.3	V12 K13 P14 R85 L86	V12-A16 HydrophobicContact CB-CB 4.19Å; K13-A16 WeakPolarHBondContact O-CB 3.41Å; K13-A16 PolarHBondContact O-N 3.46Å; K13-A16 VanDerWaalsContact O-N 3.1Å; P14-A16 VanDerWaalsContact C-N 3.27Å; P14-A16 PolarHBondContact O-N 2.82Å; A16-R85 PolarHBondContact O-N 3.49Å; A16-L86 WeakPolarHBondContact O-CB 3.34Å; A16-L86 WeakPolarHBondContact O-CG 3.11Å; A16-L86 PolarHBondContact O-N 2.85Å
17	S	97.3	Very high	97	Very high	62 Å²	62	67.7 Å²	67.7	43%	0.434	42%	0.42	S	S	.	.			trans	-110.6	153.1	167.8	-57.1	0	0	0	0	110.1	L83 S84	S17-L83 CarbonylContact C-O 3.57Å; S17-L83 WeakPolarHBondContact CA-O 3.38Å; S17-L83 WeakPolarHBondContact CB-O 3.48Å; S17-S84 WeakPolarHBondContact OG-CA 3.43Å
18	V	97.4	Very high	96.9	Very high	15 Å²	15	70.3 Å²	70.3	9%	0.091	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.7	174.3	74.9	0	0	0	0	109.2	E10 V12 E82 L83 L86	E10-V18 HydrophobicContact CB-CG2 3.93Å; E10-V18 HydrophobicContact CG-CG2 4.33Å; E10-V18 WeakPolarHBondContact OE2-CG2 3.46Å; V12-V18 HydrophobicContact CG1-CB 4.42Å; V12-V18 HydrophobicContact CG1-CG2 4.29Å; V18-E82 CarbonylContact O-C 3.6Å; V18-E82 VanDerWaalsContact O-CA 3.28Å; V18-E82 WeakPolarHBondContact O-CA 3.3Å; V18-L83 HydrophobicContact CG1-CB 4.12Å; V18-L83 HydrophobicContact CG1-CD1 4.43Å; V18-L83 PolarHBondContact N-O 3.18Å; V18-L83 PolarHBondContact O-N 3.37Å; V18-L86 HydrophobicContact CB-CD1 3.93Å; V18-L86 HydrophobicContact CG1-CD1 3.8Å
19	K	97.9	Very high	96.9	Very high	99 Å²	99	68 Å²	68	43%	0.43	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	104.5	177.6	-175.9	175.8	-177.9	172.5	0	110.5	Y80 L81 E82	K19-Y80 HydrophobicContact CD-CD1 4.37Å; K19-Y80 VanDerWaalsContact CE-CG 3.5Å; K19-Y80 HydrophobicContact CG-CD1 4.19Å; K19-L81 WeakPolarHBondContact CA-O 3.14Å; K19-E82 HydrophobicContact CB-CB 4.46Å; K19-E82 HydrophobicContact CB-CG 4.44Å; K19-E82 HydrophobicContact CG-CB 4.37Å
20	M	98.2	Very high	97	Very high	20 Å²	20	64.9 Å²	64.9	10%	0.099	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	145.3	179.3	-57.3	173.2	-57.1	0	0	110.4	S7 W36 Y80 L81 L83 Y94	S7-M20 WeakPolarHBondContact OG-CA 3.34Å; M20-W36 HydrophobicContact CB-CH2 3.83Å; M20-W36 HydrophobicContact CB-CZ3 4.16Å; M20-W36 HydrophobicContact CE-CE3 4.17Å; M20-W36 HydrophobicContact CE-CH2 4.43Å; M20-W36 HydrophobicContact CE-CZ3 3.79Å; M20-Y80 CarbonylContact O-C 3.59Å; M20-Y80 WeakPolarHBondContact O-CA 3.25Å; M20-Y80 WeakPolarHBondContact O-CB 3.48Å; M20-L81 HydrophobicContact CE-CB 4Å; M20-L81 HydrophobicContact CE-CD2 3.39Å; M20-L81 HydrophobicContact CE-CG 3.73Å; M20-L81 PolarHBondContact N-O 2.81Å; M20-L81 PolarHBondContact O-N 3.14Å; M20-L83 HydrophobicContact CE-CD1 4.45Å; M20-Y94 HydrophobicContact CE-CD1 3.91Å; M20-Y94 HydrophobicContact CE-CD2 4.24Å; M20-Y94 HydrophobicContact CE-CG 3.64Å; M20-Y94 HydrophobicContact SD-CD2 3.99Å; M20-Y94 HydrophobicContact SD-CG 3.85Å
21	S	98.4	Very high	97	Very high	31 Å²	31	63.3 Å²	63.3	22%	0.217	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	153.1	174.9	66.7	0	0	0	0	111.4	Q6 S7	Q6-S21 WeakPolarHBondContact CA-O 3.48Å; S7-S21 WeakPolarHBondContact CB-OG 3.09Å; S7-S21 PolarHBondContact N-O 3.38Å; S7-S21 VanDerWaalsContact N-O 3.14Å; S7-S21 PolarHBondContact N-OG 3Å; S7-S21 PolarHBondContact OG-N 3.28Å; S7-S21 VanDerWaalsContact OG-N 3.14Å
22	C	98.5	Very high	97	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	102.6	168.9	178.2	0	0	0	0	108.9	Q6 I34 W36 T78 V79 C96	Q6-C22 HydrophobicContact CG-CB 4.35Å; C22-I34 HydrophobicContact CB-CG2 4.46Å; C22-W36 HydrophobicContact CB-CH2 3.95Å; C22-W36 HydrophobicContact CB-CZ2 3.57Å; C22-T78 WeakPolarHBondContact O-CA 3.35Å; C22-V79 PolarHBondContact N-O 3.27Å; C22-V79 PolarHBondContact O-N 2.83Å; C22-C96 HydrophobicContact CB-CB 3.43Å; C22-C96 VanDerWaalsContact CB-CB 3.43Å; C22-C96 WeakPolarHBondContact CB-SG 3.31Å; C22-C96 WeakPolarHBondContact SG-CB 3.46Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 3.38Å
23	K	98.4	Very high	97.1	Very high	114 Å²	114	58.8 Å²	58.8	50%	0.496	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.5	-180	-177.1	175.1	-177.1	176.7	0	110.5	L4 Q5 S76	L4-K23 WeakPolarHBondContact CA-O 3.36Å; Q5-K23 PolarHBondContact N-O 3.31Å; Q5-K23 PolarHBondContact O-N 2.99Å; K23-S76 WeakPolarHBondContact CE-O 3.01Å
24	A	98.3	Very high	97.3	Very high	6 Å²	6	50.6 Å²	50.6	5%	0.05	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	140.7	179.2	0	0	0	0	0	112.6	L4 Y27 F29 S77	L4-A24 HydrophobicContact CD2-CB 3.76Å; A24-Y27 HydrophobicContact CB-CE1 3.69Å; A24-Y27 WeakPolarHBondContact CB-OH 3.39Å; A24-F29 HydrophobicContact CB-CD2 3.62Å; A24-F29 HydrophobicContact CB-CE2 4Å; A24-S77 PolarHBondContact N-O 2.78Å; A24-S77 WeakPolarHBondContact O-CB 3.17Å
25	S	97.7	Very high	97.4	Very high	49 Å²	49	48.2 Å²	48.2	34%	0.343	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	161.6	172.6	71.5	0	0	0	0	112.2	Q3 Y27	Q3-S25 PolarHBondContact N-O 2.97Å; Q3-S25 PolarHBondContact O-N 2.81Å; S25-Y27 WeakPolarHBondContact O-CD1 3.47Å
26	G	97.3	Very high	97.5	Very high	52 Å²	52	45.6 Å²	45.6	54%	0.536	26%	0.26	S	S	.	.	S	Bend	trans	82.7	12.1	177.3	0	0	0	0	0	115.8	Q1	Q1-G26 WeakPolarHBondContact O-CA 3.28Å
27	Y	96.2	Very high	97.5	Very high	42 Å²	42	45.5 Å²	45.5	17%	0.165	25%	0.253	C	S	.	.	S	Bend	trans	-156.8	167.7	170.9	68.6	-78.8	0	0	0	110.4	V2 L4 A24 S25 F29 Y32 I34 R98	V2-Y27 HydrophobicContact CG1-CD1 3.92Å; V2-Y27 HydrophobicContact CG1-CE1 4.19Å; V2-Y27 HydrophobicContact CG2-CD1 4.42Å; L4-Y27 HydrophobicContact CD2-CE1 4.48Å; A24-Y27 HydrophobicContact CB-CE1 3.69Å; A24-Y27 WeakPolarHBondContact CB-OH 3.39Å; S25-Y27 WeakPolarHBondContact O-CD1 3.47Å; Y27-F29 PolarHBondContact O-N 2.54Å; Y27-F29 VanDerWaalsContact O-N 3.11Å; Y27-Y32 HydrophobicContact CD2-CD2 4.17Å; Y27-Y32 HydrophobicContact CE2-CD2 4.36Å; Y27-I34 VanDerWaalsContact OH-CD1 3.31Å; Y27-I34 WeakPolarHBondContact OH-CD1 3.24Å; Y27-R98 VanDerWaalsContact CD2-CZ 3.42Å; Y27-R98 VanDerWaalsContact CG-CZ 3.46Å; Y27-R98 WeakPolarHBondContact OH-CD 3.37Å
28	T	96.8	Very high	97.5	Very high	94 Å²	94	43.1 Å²	43.1	58%	0.577	24%	0.235	S	C	*	.			trans	-67.7	104.8	172.1	-55.4	0	0	0	0	109.6	T30 T31	T28-T30 PolarHBondContact O-N 2.76Å; T28-T31 HydrophobicContact CG2-CG2 3.86Å; T28-T31 PolarHBondContact O-N 3.46Å; T28-T31 PolarHBondContact O-OG1 3.44Å
29	F	96.7	Very high	97.4	Very high	13 Å²	13	45.8 Å²	45.8	6%	0.057	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-49.5	-33.3	-171.7	175.8	-122.7	0	0	0	115.1	A24 Y27 T31 I34 P53 V72 K74 S77 V79	A24-F29 HydrophobicContact CB-CD2 3.62Å; A24-F29 HydrophobicContact CB-CE2 4Å; Y27-F29 PolarHBondContact O-N 2.54Å; Y27-F29 VanDerWaalsContact O-N 3.11Å; F29-T31 VanDerWaalsContact C-N 3.31Å; F29-T31 PolarHBondContact O-N 2.77Å; F29-I34 HydrophobicContact CE2-CG1 4.14Å; F29-P53 HydrophobicContact CD1-CB 3.92Å; F29-P53 HydrophobicContact CD1-CG 4.14Å; F29-P53 HydrophobicContact CD2-CG 4.34Å; F29-P53 HydrophobicContact CE1-CB 3.6Å; F29-P53 HydrophobicContact CE1-CG 3.67Å; F29-P53 HydrophobicContact CE2-CG 3.9Å; F29-P53 HydrophobicContact CG-CG 4.47Å; F29-P53 HydrophobicContact CZ-CB 4.04Å; F29-P53 HydrophobicContact CZ-CG 3.55Å; F29-V72 HydrophobicContact CE1-CG2 3.65Å; F29-V72 HydrophobicContact CZ-CG2 3.73Å; F29-K74 HydrophobicContact CE1-CG 4.5Å; F29-S77 WeakPolarHBondContact CE2-O 3.18Å; F29-V79 HydrophobicContact CE2-CG2 4.06Å; F29-V79 HydrophobicContact CZ-CG2 3.69Å
30	T	96.8	Very high	97	Very high	49 Å²	49	42 Å²	42	30%	0.301	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-75.7	-11.9	-178.7	54.4	0	0	0	0	114.6	T28 Y32 H52 P53 Y54	T28-T30 PolarHBondContact O-N 2.76Å; T30-Y32 PolarHBondContact O-N 2.91Å; T30-H52 PolarHBondContact O-CE1 2.79Å; T30-P53 HydrophobicContact CG2-CB 4.29Å; T30-Y54 WeakPolarHBondContact O-CB 3.22Å
31	T	96.3	Very high	96.3	Very high	73 Å²	73	49.1 Å²	49.1	45%	0.448	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-80.3	-14.1	-172.5	55	0	0	0	0	114.7	T28 F29	T28-T31 HydrophobicContact CG2-CG2 3.86Å; T28-T31 PolarHBondContact O-N 3.46Å; T28-T31 PolarHBondContact O-OG1 3.44Å; F29-T31 VanDerWaalsContact C-N 3.31Å; F29-T31 PolarHBondContact O-N 2.77Å
32	Y	95.9	Very high	95.2	Very high	111 Å²	111	52 Å²	52	44%	0.435	30%	0.299	S	S	.	.	S	Bend	trans	-139.3	147.4	-179.2	-64.6	-98.5	0	0	0	111.2	Y27 T30 P53 R98	Y27-Y32 HydrophobicContact CD2-CD2 4.17Å; Y27-Y32 HydrophobicContact CE2-CD2 4.36Å; T30-Y32 PolarHBondContact O-N 2.91Å; Y32-P53 WeakPolarHBondContact O-CD 3.47Å; Y32-R98 VanDerWaalsContact CB-NE 3.34Å; Y32-R98 HydrophobicContact CD1-CG 4.43Å; Y32-R98 VanDerWaalsContact CD2-CZ 3.4Å; Y32-R98 HydrophobicContact CG-CG 4.11Å; Y32-R98 VanDerWaalsContact CZ-NH2 3.34Å
33	P	97.4	Very high	94.3	Very high	28 Å²	28	58.4 Å²	58.4	18%	0.182	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-67.9	153.7	168.6	31.2	-34.4	0	0	0	111	N50 F51 H52	P33-N50 HydrophobicContact CB-CB 4.39Å; P33-F51 CarbonylContact C-O 3.42Å; P33-F51 VanDerWaalsContact CA-O 3.27Å; P33-F51 WeakPolarHBondContact CA-O 3.36Å; P33-H52 HydrophobicContact CB-CB 4.2Å
34	I	98.2	Very high	93.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	124.7	164.1	-60.5	-59	0	0	0	108.1	L4 C22 Y27 F29 N50 F51 V79 C96 A97 R98	L4-I34 HydrophobicContact CD2-CD1 3.9Å; C22-I34 HydrophobicContact CB-CG2 4.46Å; Y27-I34 VanDerWaalsContact OH-CD1 3.31Å; Y27-I34 WeakPolarHBondContact OH-CD1 3.24Å; F29-I34 HydrophobicContact CE2-CG1 4.14Å; I34-N50 WeakPolarHBondContact O-CA 3.4Å; I34-N50 WeakPolarHBondContact O-CB 3.43Å; I34-F51 PolarHBondContact N-O 2.85Å; I34-F51 PolarHBondContact O-N 3.02Å; I34-V79 HydrophobicContact CB-CB 4.09Å; I34-V79 HydrophobicContact CB-CG1 4.4Å; I34-V79 HydrophobicContact CB-CG2 3.81Å; I34-V79 HydrophobicContact CG1-CB 4.27Å; I34-V79 HydrophobicContact CG1-CG2 3.65Å; I34-V79 HydrophobicContact CG2-CB 4.14Å; I34-V79 HydrophobicContact CG2-CG1 4.42Å; I34-V79 HydrophobicContact CG2-CG2 4.39Å; I34-C96 HydrophobicContact CG2-CB 4.03Å; I34-A97 WeakPolarHBondContact CA-O 3.29Å; I34-R98 HydrophobicContact CD1-CB 4.19Å
35	E	98.2	Very high	93.5	Very high	65 Å²	65	61.6 Å²	61.6	30%	0.304	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	150.3	175.8	-52.3	-158.2	175.6	0	0	111	W47 N50 C96 A97	E35-W47 PolarHBondContact OE2-NE1 2.91Å; E35-N50 HydrophobicContact CB-CB 4.43Å; E35-N50 HydrophobicContact CG-CB 4.02Å; E35-C96 CarbonylContact O-C 3.51Å; E35-C96 WeakPolarHBondContact O-CA 3.17Å; E35-A97 HydrophobicContact CB-CB 4.43Å; E35-A97 PolarHBondContact N-O 2.93Å; E35-A97 PolarHBondContact O-N 2.78Å
36	W	98.4	Very high	93.4	Very high	0 Å²	0	61 Å²	61	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.4	171.3	-75.7	91.2	0	0	0	110.8	M20 C22 I48 G49 L70 L81 Y95 C96	M20-W36 HydrophobicContact CB-CH2 3.83Å; M20-W36 HydrophobicContact CB-CZ3 4.16Å; M20-W36 HydrophobicContact CE-CE3 4.17Å; M20-W36 HydrophobicContact CE-CH2 4.43Å; M20-W36 HydrophobicContact CE-CZ3 3.79Å; C22-W36 HydrophobicContact CB-CH2 3.95Å; C22-W36 HydrophobicContact CB-CZ2 3.57Å; W36-I48 HydrophobicContact CB-CB 4.14Å; W36-I48 HydrophobicContact CB-CD1 4.3Å; W36-I48 WeakPolarHBondContact O-CB 3.17Å; W36-I48 PolarHBondContact O-N 2.89Å; W36-G49 PolarHBondContact N-O 2.92Å; W36-L70 HydrophobicContact CG-CD2 4.02Å; W36-L81 HydrophobicContact CB-CD2 3.96Å; W36-L81 HydrophobicContact CD2-CB 3.55Å; W36-L81 HydrophobicContact CD2-CD2 3.74Å; W36-L81 HydrophobicContact CD2-CG 4.27Å; W36-L81 VanDerWaalsContact CE2-CB 3.48Å; W36-L81 HydrophobicContact CE3-CB 3.94Å; W36-L81 HydrophobicContact CE3-CD2 3.66Å; W36-L81 HydrophobicContact CE3-CG 4.44Å; W36-L81 HydrophobicContact CG-CB 3.98Å; W36-L81 HydrophobicContact CG-CD2 3.91Å; W36-L81 HydrophobicContact CG-CG 4.47Å; W36-L81 HydrophobicContact CH2-CB 4.14Å; W36-L81 HydrophobicContact CZ2-CB 3.79Å; W36-L81 HydrophobicContact CZ3-CB 4.21Å; W36-L81 HydrophobicContact CZ3-CD2 4.37Å; W36-Y95 WeakPolarHBondContact CA-O 3.25Å; W36-C96 HydrophobicContact CD2-CB 4.12Å; W36-C96 HydrophobicContact CE3-CB 4.12Å; W36-C96 HydrophobicContact CH2-CB 4.15Å; W36-C96 HydrophobicContact CZ2-CB 4.12Å; W36-C96 HydrophobicContact CZ3-CB 4.14Å
37	M	97.4	Very high	93.4	Very high	32 Å²	32	62 Å²	62	16%	0.158	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146.2	-179.5	-53.9	-63.1	-69	0	0	110.2	L45 E46 W47 Y94 Y95	M37-L45 HydrophobicContact CB-CD2 4.19Å; M37-L45 HydrophobicContact CE-CB 3.78Å; M37-E46 CarbonylContact C-O 3.55Å; M37-E46 WeakPolarHBondContact CA-O 3.35Å; M37-W47 HydrophobicContact CE-CB 3.85Å; M37-W47 WeakPolarHBondContact SD-CA 3.49Å; M37-W47 HydrophobicContact SD-CB 3.69Å; M37-W47 HydrophobicContact SD-CG 3.95Å; M37-Y94 CarbonylContact O-C 3.55Å; M37-Y94 WeakPolarHBondContact O-CA 3.33Å; M37-Y95 PolarHBondContact N-O 3Å; M37-Y95 PolarHBondContact O-N 3.11Å
38	K	96.6	Very high	93.5	Very high	12 Å²	12	60 Å²	60	5%	0.052	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.2	171.1	-176.3	179.4	179.5	-173.3	0	109.8	N40 E46 I48 F64 D89 D90 A92 Y94	K38-N40 WeakPolarHBondContact CE-OD1 3.37Å; K38-E46 HydrophobicContact CB-CB 4.46Å; K38-E46 PolarHBondContact N-O 3.02Å; K38-E46 PolarHBondContact O-N 3.32Å; K38-I48 HydrophobicContact CB-CD1 4.06Å; K38-I48 HydrophobicContact CB-CG1 4.21Å; K38-F64 HydrophobicContact CB-CZ 4.26Å; K38-F64 HydrophobicContact CD-CE1 3.95Å; K38-F64 HydrophobicContact CD-CZ 3.81Å; K38-D89 WeakPolarHBondContact CE-O 3.45Å; K38-D89 PolarHBondContact NZ-O 3.21Å; K38-D90 IonicContact NZ-OD1 2.75Å; K38-A92 HydrophobicContact CD-CB 4.25Å; K38-A92 HydrophobicContact CG-CB 3.58Å; K38-Y94 HydrophobicContact CB-CD1 4.21Å; K38-Y94 HydrophobicContact CB-CE1 3.92Å; K38-Y94 HydrophobicContact CD-CE1 3.98Å; K38-Y94 WeakPolarHBondContact CE-OH 3.32Å; K38-Y94 HydrophobicContact CG-CD1 4.35Å; K38-Y94 HydrophobicContact CG-CE1 3.74Å
39	Q	95.7	Very high	93.6	Very high	72 Å²	72	55.6 Å²	55.6	34%	0.336	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	108.3	171.4	-164	177	33.9	0	0	110.3	L45 A92 V93 Y95	Q39-L45 HydrophobicContact CB-CD2 3.78Å; Q39-L45 HydrophobicContact CG-CD2 4.09Å; Q39-A92 WeakPolarHBondContact O-CB 3.19Å; Q39-V93 PolarHBondContact N-O 2.93Å; Q39-V93 PolarHBondContact O-N 3.04Å; Q39-Y95 HydrophobicContact CB-CD2 4.31Å; Q39-Y95 HydrophobicContact CB-CE2 3.83Å; Q39-Y95 VanDerWaalsContact OE1-CE2 3.31Å; Q39-Y95 PolarHBondContact OE1-OH 2.96Å
40	N	89.5	Confident	93.6	Very high	19 Å²	19	56.1 Å²	56.1	10%	0.102	30%	0.303	C	S	.	.			trans	-80.7	150.3	170	-64.8	-37.8	0	0	0	109.9	K38 G42 K43 E46 A92	K38-N40 WeakPolarHBondContact CE-OD1 3.37Å; N40-G42 PolarHBondContact O-N 3.16Å; N40-K43 HydrophobicContact CB-CB 4.05Å; N40-K43 HydrophobicContact CB-CD 4Å; N40-K43 HydrophobicContact CB-CG 4.09Å; N40-K43 PolarHBondContact O-N 3.24Å; N40-E46 PolarHBondContact ND2-OE1 2.59Å; N40-A92 WeakPolarHBondContact OD1-CB 3.4Å
41	H	82.6	Confident	93.7	Very high	170 Å²	170	54.4 Å²	54.4	79%	0.787	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	113.1	173.9	-67.4	-102.5	0	0	0	110.3	K43	H41-K43 PolarHBondContact O-N 2.81Å
42	G	77.1	Confident	93.8	Very high	92 Å²	92	53.1 Å²	53.1	95%	0.948	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	6	177.4	0	0	0	0	0	116.8	N40	N40-G42 PolarHBondContact O-N 3.16Å
43	K	78.9	Confident	93.8	Very high	134 Å²	134	47.9 Å²	47.9	58%	0.583	26%	0.259	S	S	*	.	S	Bend	trans	-108.1	163.9	175.7	-59	-172	179	175.3	0	112.2	N40 H41	N40-K43 HydrophobicContact CB-CB 4.05Å; N40-K43 HydrophobicContact CB-CD 4Å; N40-K43 HydrophobicContact CB-CG 4.09Å; N40-K43 PolarHBondContact O-N 3.24Å; H41-K43 PolarHBondContact O-N 2.81Å
44	S	86.6	Confident	93.8	Very high	95 Å²	95	54.9 Å²	54.9	66%	0.664	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-61.6	158	169.9	58.3	0	0	0	0	111.4	E46	S44-E46 PolarHBondContact O-N 3.21Å
45	L	93.5	Very high	93.8	Very high	91 Å²	91	59.3 Å²	59.3	48%	0.476	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	126.9	170.2	-73.5	164	0	0	0	109.9	M37 Q39 Y95	M37-L45 HydrophobicContact CB-CD2 4.19Å; M37-L45 HydrophobicContact CE-CB 3.78Å; Q39-L45 HydrophobicContact CB-CD2 3.78Å; Q39-L45 HydrophobicContact CG-CD2 4.09Å; L45-Y95 HydrophobicContact CD2-CD2 4.14Å; L45-Y95 HydrophobicContact CD2-CE2 4.47Å
46	E	95.7	Very high	93.7	Very high	37 Å²	37	60 Å²	60	17%	0.173	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.1	174.1	-66.3	-171.7	-102.1	0	0	109.3	M37 K38 N40 S44 K63 F64	M37-E46 CarbonylContact C-O 3.55Å; M37-E46 WeakPolarHBondContact CA-O 3.35Å; K38-E46 HydrophobicContact CB-CB 4.46Å; K38-E46 PolarHBondContact N-O 3.02Å; K38-E46 PolarHBondContact O-N 3.32Å; N40-E46 PolarHBondContact ND2-OE1 2.59Å; S44-E46 PolarHBondContact O-N 3.21Å; E46-K63 IonicContact OE2-NZ 3.59Å; E46-K63 PolarHBondContact OE2-NZ 2.82Å; E46-F64 HydrophobicContact CB-CE2 4.48Å
47	W	97	Very high	93.7	Very high	74 Å²	74	63.2 Å²	63.2	28%	0.28	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	129.5	175.2	-178.6	82.3	0	0	0	110.7	E35 M37 G49 N50 K59 Y60 N61	E35-W47 PolarHBondContact OE2-NE1 2.91Å; M37-W47 HydrophobicContact CE-CB 3.85Å; M37-W47 WeakPolarHBondContact SD-CA 3.49Å; M37-W47 HydrophobicContact SD-CB 3.69Å; M37-W47 HydrophobicContact SD-CG 3.95Å; W47-G49 VanDerWaalsContact CZ2-C 3.46Å; W47-G49 PolarHBondContact NE1-O 3.19Å; W47-N50 HydrophobicContact CZ2-CB 4.23Å; W47-K59 HydrophobicContact CH2-CB 3.89Å; W47-K59 HydrophobicContact CZ2-CB 4.35Å; W47-Y60 VanDerWaalsContact CZ3-C 3.47Å; W47-N61 HydrophobicContact CE3-CB 3.69Å; W47-N61 HydrophobicContact CZ3-CB 3.95Å; W47-N61 WeakPolarHBondContact O-CB 2.93Å; W47-N61 PolarHBondContact O-ND2 3.1Å
48	I	98	Very high	93.7	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-48	179.8	-60.3	177.1	0	0	0	110	W36 K38 N61 F64 A68 L81 Y94	W36-I48 HydrophobicContact CB-CB 4.14Å; W36-I48 HydrophobicContact CB-CD1 4.3Å; W36-I48 WeakPolarHBondContact O-CB 3.17Å; W36-I48 PolarHBondContact O-N 2.89Å; K38-I48 HydrophobicContact CB-CD1 4.06Å; K38-I48 HydrophobicContact CB-CG1 4.21Å; I48-N61 PolarHBondContact O-N 2.95Å; I48-F64 HydrophobicContact CB-CD2 4.33Å; I48-F64 HydrophobicContact CB-CG 4.3Å; I48-F64 HydrophobicContact CD1-CE1 4.36Å; I48-F64 HydrophobicContact CG1-CD1 4.15Å; I48-F64 HydrophobicContact CG1-CD2 4.24Å; I48-F64 HydrophobicContact CG1-CE1 3.95Å; I48-F64 HydrophobicContact CG1-CE2 4.03Å; I48-F64 HydrophobicContact CG1-CG 4.29Å; I48-F64 HydrophobicContact CG1-CZ 3.88Å; I48-F64 HydrophobicContact CG2-CB 3.94Å; I48-F64 HydrophobicContact CG2-CD1 4.04Å; I48-F64 HydrophobicContact CG2-CD2 4.38Å; I48-F64 HydrophobicContact CG2-CG 3.87Å; I48-A68 HydrophobicContact CG2-CB 3.76Å; I48-L81 HydrophobicContact CD1-CD2 3.58Å; I48-L81 HydrophobicContact CG2-CD1 4.18Å; I48-L81 HydrophobicContact CG2-CD2 4.42Å; I48-Y94 HydrophobicContact CD1-CD1 3.61Å; I48-Y94 HydrophobicContact CD1-CE1 3.73Å
49	G	98.2	Very high	93.7	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.6	175.8	-170.8	0	0	0	0	0	111.8	W36 W47 K59	W36-G49 PolarHBondContact N-O 2.92Å; W47-G49 VanDerWaalsContact CZ2-C 3.46Å; W47-G49 PolarHBondContact NE1-O 3.19Å; G49-K59 CarbonylContact C-O 3.57Å; G49-K59 WeakPolarHBondContact CA-O 2.98Å
50	N	98.2	Very high	93.8	Very high	24 Å²	24	68 Å²	68	13%	0.128	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	157.8	171.1	69.3	17.4	0	0	0	111.6	P33 I34 E35 W47 T58 K59 L70	P33-N50 HydrophobicContact CB-CB 4.39Å; I34-N50 WeakPolarHBondContact O-CA 3.4Å; I34-N50 WeakPolarHBondContact O-CB 3.43Å; E35-N50 HydrophobicContact CB-CB 4.43Å; E35-N50 HydrophobicContact CG-CB 4.02Å; W47-N50 HydrophobicContact CZ2-CB 4.23Å; N50-T58 WeakPolarHBondContact O-CA 3.14Å; N50-T58 WeakPolarHBondContact O-CG2 3.29Å; N50-K59 PolarHBondContact N-O 3.17Å; N50-K59 PolarHBondContact O-N 2.84Å; N50-K59 WeakPolarHBondContact OD1-CB 3.46Å; N50-L70 WeakPolarHBondContact O-CD1 3.36Å
51	F	98.3	Very high	94.2	Very high	13 Å²	13	69.1 Å²	69.1	6%	0.057	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.1	172.4	-168.8	-75.2	0	0	0	108.7	P33 I34 P53 D56 T58 L70 V72 V79	P33-F51 CarbonylContact C-O 3.42Å; P33-F51 VanDerWaalsContact CA-O 3.27Å; P33-F51 WeakPolarHBondContact CA-O 3.36Å; I34-F51 PolarHBondContact N-O 2.85Å; I34-F51 PolarHBondContact O-N 3.02Å; F51-P53 HydrophobicContact CD1-CG 4.37Å; F51-P53 WeakPolarHBondContact O-CD 3.11Å; F51-D56 HydrophobicContact CE1-CB 4.48Å; F51-D56 HydrophobicContact CZ-CB 3.98Å; F51-T58 HydrophobicContact CD2-CG2 4.23Å; F51-T58 WeakPolarHBondContact CD2-OG1 3.44Å; F51-T58 VanDerWaalsContact CE2-OG1 3.29Å; F51-T58 WeakPolarHBondContact CE2-OG1 3.39Å; F51-L70 HydrophobicContact CB-CB 4.36Å; F51-L70 HydrophobicContact CD2-CB 4.22Å; F51-V72 HydrophobicContact CD1-CB 3.92Å; F51-V72 HydrophobicContact CD1-CG1 4.25Å; F51-V72 HydrophobicContact CD1-CG2 4.33Å; F51-V72 HydrophobicContact CE1-CB 3.53Å; F51-V72 HydrophobicContact CE1-CG1 3.35Å; F51-V72 HydrophobicContact CE1-CG2 4.08Å; F51-V72 HydrophobicContact CE2-CB 4.4Å; F51-V72 HydrophobicContact CE2-CG1 4.19Å; F51-V72 HydrophobicContact CZ-CB 3.8Å; F51-V72 HydrophobicContact CZ-CG1 3.31Å; F51-V79 HydrophobicContact CB-CG1 3.92Å
52	H	98	Very high	94.9	Very high	47 Å²	47	67.5 Å²	67.5	22%	0.218	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	105.6	178.8	-163.9	-51	0	0	0	111.4	T30 P33 Y54 N55 D56 D57	T30-H52 PolarHBondContact O-CE1 2.79Å; P33-H52 HydrophobicContact CB-CB 4.2Å; H52-Y54 VanDerWaalsContact C-N 3.28Å; H52-Y54 WeakPolarHBondContact CE1-CB 3.49Å; H52-Y54 VanDerWaalsContact ND1-CB 3.3Å; H52-Y54 WeakPolarHBondContact ND1-CB 3.43Å; H52-Y54 PolarHBondContact ND1-N 3.31Å; H52-Y54 PolarHBondContact O-N 2.72Å; H52-Y54 VanDerWaalsContact O-N 3.16Å; H52-N55 WeakPolarHBondContact CB-OD1 3.34Å; H52-N55 PolarHBondContact O-N 2.86Å; H52-N55 PolarHBondContact O-OD1 2.67Å; H52-D56 WeakPolarHBondContact O-CA 3.49Å; H52-D56 PolarHBondContact O-N 3.08Å; H52-D57 HydrophobicContact CB-CB 4.33Å; H52-D57 PolarHBondContact N-O 3.14Å
53	P	97.4	Very high	95.7	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-18.4	-171.6	-17	30.2	0	0	0	115.6	F29 T30 Y32 F51 V72 K74	F29-P53 HydrophobicContact CD1-CB 3.92Å; F29-P53 HydrophobicContact CD1-CG 4.14Å; F29-P53 HydrophobicContact CD2-CG 4.34Å; F29-P53 HydrophobicContact CE1-CB 3.6Å; F29-P53 HydrophobicContact CE1-CG 3.67Å; F29-P53 HydrophobicContact CE2-CG 3.9Å; F29-P53 HydrophobicContact CG-CG 4.47Å; F29-P53 HydrophobicContact CZ-CB 4.04Å; F29-P53 HydrophobicContact CZ-CG 3.55Å; T30-P53 HydrophobicContact CG2-CB 4.29Å; Y32-P53 WeakPolarHBondContact O-CD 3.47Å; F51-P53 HydrophobicContact CD1-CG 4.37Å; F51-P53 WeakPolarHBondContact O-CD 3.11Å; P53-V72 HydrophobicContact CB-CG2 4.43Å; P53-K74 WeakPolarHBondContact O-CE 3.35Å; P53-K74 PolarHBondContact O-NZ 2.97Å
54	Y	97	Very high	96.5	Very high	176 Å²	176	64.1 Å²	64.1	69%	0.69	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-50.9	173.9	-179.2	-116.4	0	0	0	113.6	T30 H52	T30-Y54 WeakPolarHBondContact O-CB 3.22Å; H52-Y54 VanDerWaalsContact C-N 3.28Å; H52-Y54 WeakPolarHBondContact CE1-CB 3.49Å; H52-Y54 VanDerWaalsContact ND1-CB 3.3Å; H52-Y54 WeakPolarHBondContact ND1-CB 3.43Å; H52-Y54 PolarHBondContact ND1-N 3.31Å; H52-Y54 PolarHBondContact O-N 2.72Å; H52-Y54 VanDerWaalsContact O-N 3.16Å
55	N	97.2	Very high	96.9	Very high	92 Å²	92	64.8 Å²	64.8	49%	0.492	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	7	-169.9	62.6	-8.4	0	0	0	113.1	H52 D57	H52-N55 WeakPolarHBondContact CB-OD1 3.34Å; H52-N55 PolarHBondContact O-N 2.86Å; H52-N55 PolarHBondContact O-OD1 2.67Å; N55-D57 PolarHBondContact O-N 2.95Å; N55-D57 VanDerWaalsContact O-N 3.17Å; N55-D57 VanDerWaalsContact OD1-CB 3.32Å; N55-D57 WeakPolarHBondContact OD1-CB 3.39Å; N55-D57 PolarHBondContact OD1-N 3.49Å
56	D	96.7	Very high	96.9	Very high	80 Å²	80	63.1 Å²	63.1	43%	0.428	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	24.1	-177.8	-57.2	-44.6	0	0	0	113.6	F51 H52 K74	F51-D56 HydrophobicContact CE1-CB 4.48Å; F51-D56 HydrophobicContact CZ-CB 3.98Å; H52-D56 WeakPolarHBondContact O-CA 3.49Å; H52-D56 PolarHBondContact O-N 3.08Å; D56-K74 WeakPolarHBondContact OD1-CE 3.49Å; D56-K74 IonicContact OD1-NZ 2.59Å; D56-K74 PolarHBondContact OD1-NZ 2.84Å; D56-K74 IonicContact OD2-NZ 3.96Å; D56-K74 PolarHBondContact OD2-NZ 2.57Å
57	D	97.4	Very high	96.9	Very high	67 Å²	67	63.4 Å²	63.4	36%	0.358	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	137.2	173.7	-174.1	32.2	0	0	0	110.2	H52 N55 K59	H52-D57 HydrophobicContact CB-CB 4.33Å; H52-D57 PolarHBondContact N-O 3.14Å; N55-D57 PolarHBondContact O-N 2.95Å; N55-D57 VanDerWaalsContact O-N 3.17Å; N55-D57 VanDerWaalsContact OD1-CB 3.32Å; N55-D57 WeakPolarHBondContact OD1-CB 3.39Å; N55-D57 PolarHBondContact OD1-N 3.49Å; D57-K59 VanDerWaalsContact OD2-CE 3.25Å; D57-K59 WeakPolarHBondContact OD2-CE 3.11Å; D57-K59 IonicContact OD2-NZ 2.81Å
58	T	97.7	Very high	97	Very high	42 Å²	42	60.1 Å²	60.1	26%	0.258	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127.8	-178.4	-52.2	0	0	0	0	109.7	N50 F51 Y60 L70	N50-T58 WeakPolarHBondContact O-CA 3.14Å; N50-T58 WeakPolarHBondContact O-CG2 3.29Å; F51-T58 HydrophobicContact CD2-CG2 4.23Å; F51-T58 WeakPolarHBondContact CD2-OG1 3.44Å; F51-T58 VanDerWaalsContact CE2-OG1 3.29Å; F51-T58 WeakPolarHBondContact CE2-OG1 3.39Å; T58-Y60 HydrophobicContact CG2-CD2 4.16Å; T58-Y60 HydrophobicContact CG2-CE1 4.37Å; T58-Y60 HydrophobicContact CG2-CE2 3.38Å; T58-L70 HydrophobicContact CG2-CB 3.95Å; T58-L70 HydrophobicContact CG2-CD1 3.97Å; T58-L70 HydrophobicContact CG2-CG 4.48Å
59	K	97.7	Very high	97	Very high	114 Å²	114	63.2 Å²	63.2	50%	0.496	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	147.5	175.6	-60.1	-179.6	-177.7	173.5	0	110.2	W47 G49 N50 D57	W47-K59 HydrophobicContact CH2-CB 3.89Å; W47-K59 HydrophobicContact CZ2-CB 4.35Å; G49-K59 CarbonylContact C-O 3.57Å; G49-K59 WeakPolarHBondContact CA-O 2.98Å; N50-K59 PolarHBondContact N-O 3.17Å; N50-K59 PolarHBondContact O-N 2.84Å; N50-K59 WeakPolarHBondContact OD1-CB 3.46Å; D57-K59 VanDerWaalsContact OD2-CE 3.25Å; D57-K59 WeakPolarHBondContact OD2-CE 3.11Å; D57-K59 IonicContact OD2-NZ 2.81Å
60	Y	98.1	Very high	97	Very high	60 Å²	60	63.6 Å²	63.6	24%	0.235	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147	-179.9	-65	-85.3	0	0	0	110.4	W47 T58 K65 A68 L70	W47-Y60 VanDerWaalsContact CZ3-C 3.47Å; T58-Y60 HydrophobicContact CG2-CD2 4.16Å; T58-Y60 HydrophobicContact CG2-CE1 4.37Å; T58-Y60 HydrophobicContact CG2-CE2 3.38Å; Y60-K65 HydrophobicContact CG-CG 4.45Å; Y60-A68 HydrophobicContact CD1-CB 4.36Å; Y60-A68 HydrophobicContact CE1-CB 4.25Å; Y60-L70 HydrophobicContact CE1-CB 4.38Å; Y60-L70 HydrophobicContact CE1-CD1 4.02Å; Y60-L70 HydrophobicContact CE1-CG 3.87Å; Y60-L70 PolarHBondContact OH-N 3.2Å
61	N	97.1	Very high	97	Very high	43 Å²	43	64.7 Å²	64.7	23%	0.23	32%	0.323	C	S	.	.			trans	-69.1	136.1	160.1	-176.2	-32.6	0	0	0	109.1	W47 I48 K63 F64 K65	W47-N61 HydrophobicContact CE3-CB 3.69Å; W47-N61 HydrophobicContact CZ3-CB 3.95Å; W47-N61 WeakPolarHBondContact O-CB 2.93Å; W47-N61 PolarHBondContact O-ND2 3.1Å; I48-N61 PolarHBondContact O-N 2.95Å; N61-K63 PolarHBondContact O-N 2.89Å; N61-K63 VanDerWaalsContact O-N 3.1Å; N61-K63 PolarHBondContact OD1-N 2.86Å; N61-F64 HydrophobicContact CB-CD2 4.01Å; N61-F64 PolarHBondContact O-N 2.82Å; N61-K65 PolarHBondContact O-N 3.05Å
62	E	96.9	Very high	97	Very high	136 Å²	136	66.1 Å²	66.1	64%	0.636	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-50.6	-37	178.9	-60.5	-56.2	147.1	0	0	112.9	F64 K65	E62-F64 PolarHBondContact O-N 3.04Å; E62-K65 PolarHBondContact O-N 2.82Å; E62-K65 VanDerWaalsContact OE1-CE 3.29Å; E62-K65 WeakPolarHBondContact OE1-CE 3.21Å; E62-K65 IonicContact OE1-NZ 2.54Å; E62-K65 PolarHBondContact OE1-NZ 2.98Å; E62-K65 VanDerWaalsContact OE2-CD 3.25Å; E62-K65 WeakPolarHBondContact OE2-CD 3.18Å; E62-K65 VanDerWaalsContact OE2-CE 3.24Å; E62-K65 WeakPolarHBondContact OE2-CE 3.41Å; E62-K65 IonicContact OE2-NZ 2.77Å; E62-K65 PolarHBondContact OE2-NZ 2.9Å
63	K	94.4	Very high	96.9	Very high	147 Å²	147	68 Å²	68	64%	0.639	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-61	-27.3	178.1	-72	-178.3	174.5	176.7	0	114.1	E46 N61	E46-K63 IonicContact OE2-NZ 3.59Å; E46-K63 PolarHBondContact OE2-NZ 2.82Å; N61-K63 PolarHBondContact O-N 2.89Å; N61-K63 VanDerWaalsContact O-N 3.1Å; N61-K63 PolarHBondContact OD1-N 2.86Å
64	F	96.1	Very high	96.9	Very high	9 Å²	9	72.2 Å²	72.2	4%	0.039	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-106.3	-7	-175.6	-66.4	-87.8	0	0	0	112.7	K38 E46 I48 N61 E62 G66 K67 A68	K38-F64 HydrophobicContact CB-CZ 4.26Å; K38-F64 HydrophobicContact CD-CE1 3.95Å; K38-F64 HydrophobicContact CD-CZ 3.81Å; E46-F64 HydrophobicContact CB-CE2 4.48Å; I48-F64 HydrophobicContact CB-CD2 4.33Å; I48-F64 HydrophobicContact CB-CG 4.3Å; I48-F64 HydrophobicContact CD1-CE1 4.36Å; I48-F64 HydrophobicContact CG1-CD1 4.15Å; I48-F64 HydrophobicContact CG1-CD2 4.24Å; I48-F64 HydrophobicContact CG1-CE1 3.95Å; I48-F64 HydrophobicContact CG1-CE2 4.03Å; I48-F64 HydrophobicContact CG1-CG 4.29Å; I48-F64 HydrophobicContact CG1-CZ 3.88Å; I48-F64 HydrophobicContact CG2-CB 3.94Å; I48-F64 HydrophobicContact CG2-CD1 4.04Å; I48-F64 HydrophobicContact CG2-CD2 4.38Å; I48-F64 HydrophobicContact CG2-CG 3.87Å; N61-F64 HydrophobicContact CB-CD2 4.01Å; N61-F64 PolarHBondContact O-N 2.82Å; E62-F64 PolarHBondContact O-N 3.04Å; F64-G66 PolarHBondContact O-N 2.86Å; F64-K67 PolarHBondContact O-N 2.81Å; F64-A68 HydrophobicContact CB-CB 4Å; F64-A68 PolarHBondContact O-N 2.75Å
65	K	94.7	Very high	96.8	Very high	108 Å²	108	69.1 Å²	69.1	47%	0.47	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	129.2	173.5	-74.3	-168.8	-171.4	167.2	0	110.2	Y60 N61 E62 K67	Y60-K65 HydrophobicContact CG-CG 4.45Å; N61-K65 PolarHBondContact O-N 3.05Å; E62-K65 PolarHBondContact O-N 2.82Å; E62-K65 VanDerWaalsContact OE1-CE 3.29Å; E62-K65 WeakPolarHBondContact OE1-CE 3.21Å; E62-K65 IonicContact OE1-NZ 2.54Å; E62-K65 PolarHBondContact OE1-NZ 2.98Å; E62-K65 VanDerWaalsContact OE2-CD 3.25Å; E62-K65 WeakPolarHBondContact OE2-CD 3.18Å; E62-K65 VanDerWaalsContact OE2-CE 3.24Å; E62-K65 WeakPolarHBondContact OE2-CE 3.41Å; E62-K65 IonicContact OE2-NZ 2.77Å; E62-K65 PolarHBondContact OE2-NZ 2.9Å; K65-K67 PolarHBondContact O-N 3.37Å
66	G	93.8	Very high	96.8	Very high	56 Å²	56	66 Å²	66	58%	0.577	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	-6.8	-176.8	0	0	0	0	0	115	F64 R85	F64-G66 PolarHBondContact O-N 2.86Å; G66-R85 PolarHBondContact O-NH2 2.92Å
67	K	96.3	Very high	96.9	Very high	43 Å²	43	63.9 Å²	63.9	19%	0.187	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-45.3	172.3	-164.6	172.4	-164.7	167.8	0	112.1	F64 K65 L83 S84 D90	F64-K67 PolarHBondContact O-N 2.81Å; K65-K67 PolarHBondContact O-N 3.37Å; K67-L83 WeakPolarHBondContact O-CA 3.33Å; K67-S84 WeakPolarHBondContact CE-O 3.41Å; K67-S84 VanDerWaalsContact CG-O 3.31Å; K67-S84 WeakPolarHBondContact CG-O 3.27Å; K67-S84 PolarHBondContact O-N 3.27Å; K67-S84 PolarHBondContact O-OG 3.48Å; K67-D90 WeakPolarHBondContact CE-OD1 3.49Å; K67-D90 WeakPolarHBondContact CE-OD2 3.31Å; K67-D90 IonicContact NZ-OD1 2.82Å; K67-D90 PolarHBondContact NZ-OD1 2.02Å; K67-D90 IonicContact NZ-OD2 2.84Å; K67-D90 PolarHBondContact NZ-OD2 3.32Å
68	A	98	Very high	97	Very high	5 Å²	5	61 Å²	61	4%	0.041	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	140	178	0	0	0	0	0	111.6	I48 Y60 F64 L81 E82 L83	I48-A68 HydrophobicContact CG2-CB 3.76Å; Y60-A68 HydrophobicContact CD1-CB 4.36Å; Y60-A68 HydrophobicContact CE1-CB 4.25Å; F64-A68 HydrophobicContact CB-CB 4Å; F64-A68 PolarHBondContact O-N 2.75Å; A68-L81 HydrophobicContact CB-CD1 3.79Å; A68-E82 CarbonylContact C-O 3.5Å; A68-E82 WeakPolarHBondContact CA-O 3.4Å; A68-L83 HydrophobicContact CB-CD2 3.79Å
69	T	98.2	Very high	97	Very high	65 Å²	65	59 Å²	59	40%	0.399	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	124.1	168.2	-56.4	0	0	0	0	108.5	T71 E82	T69-T71 HydrophobicContact CG2-CG2 4.15Å; T69-E82 PolarHBondContact N-O 3.41Å; T69-E82 PolarHBondContact O-N 3.34Å
70	L	98.4	Very high	97	Very high	8 Å²	8	56 Å²	56	4%	0.042	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.8	174.5	-65.3	173.3	0	0	0	109.7	W36 N50 F51 T58 Y60 Y80 L81	W36-L70 HydrophobicContact CG-CD2 4.02Å; N50-L70 WeakPolarHBondContact O-CD1 3.36Å; F51-L70 HydrophobicContact CB-CB 4.36Å; F51-L70 HydrophobicContact CD2-CB 4.22Å; T58-L70 HydrophobicContact CG2-CB 3.95Å; T58-L70 HydrophobicContact CG2-CD1 3.97Å; T58-L70 HydrophobicContact CG2-CG 4.48Å; Y60-L70 HydrophobicContact CE1-CB 4.38Å; Y60-L70 HydrophobicContact CE1-CD1 4.02Å; Y60-L70 HydrophobicContact CE1-CG 3.87Å; Y60-L70 PolarHBondContact OH-N 3.2Å; L70-Y80 WeakPolarHBondContact CA-O 3.35Å; L70-L81 HydrophobicContact CD2-CB 3.95Å; L70-L81 HydrophobicContact CD2-CD1 3.83Å; L70-L81 HydrophobicContact CD2-CG 4.45Å
71	T	97.2	Very high	97	Very high	48 Å²	48	53.1 Å²	53.1	29%	0.294	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	160.2	176.7	57.2	0	0	0	0	110.8	T69 V79 Y80	T69-T71 HydrophobicContact CG2-CG2 4.15Å; T71-V79 CarbonylContact O-C 3.51Å; T71-V79 WeakPolarHBondContact O-CA 3.39Å; T71-Y80 PolarHBondContact N-O 3.39Å; T71-Y80 PolarHBondContact O-N 2.86Å
72	V	97.9	Very high	97.1	Very high	42 Å²	42	54.5 Å²	54.5	26%	0.255	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	142.2	-176.7	69.5	0	0	0	0	111.8	F29 F51 P53 K74 T78 V79	F29-V72 HydrophobicContact CE1-CG2 3.65Å; F29-V72 HydrophobicContact CZ-CG2 3.73Å; F51-V72 HydrophobicContact CD1-CB 3.92Å; F51-V72 HydrophobicContact CD1-CG1 4.25Å; F51-V72 HydrophobicContact CD1-CG2 4.33Å; F51-V72 HydrophobicContact CE1-CB 3.53Å; F51-V72 HydrophobicContact CE1-CG1 3.35Å; F51-V72 HydrophobicContact CE1-CG2 4.08Å; F51-V72 HydrophobicContact CE2-CB 4.4Å; F51-V72 HydrophobicContact CE2-CG1 4.19Å; F51-V72 HydrophobicContact CZ-CB 3.8Å; F51-V72 HydrophobicContact CZ-CG1 3.31Å; P53-V72 HydrophobicContact CB-CG2 4.43Å; V72-K74 HydrophobicContact CG1-CG 4.37Å; V72-K74 HydrophobicContact CG2-CG 4.08Å; V72-T78 WeakPolarHBondContact CA-O 3.32Å; V72-V79 HydrophobicContact CG2-CG2 4.14Å
73	E	97.3	Very high	97.1	Very high	86 Å²	86	48 Å²	48	40%	0.402	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	97.1	164.7	-175.8	177.9	-124.4	0	0	108.5	S75 S76 S77 T78 Y80	E73-S75 VanDerWaalsContact C-N 3.3Å; E73-S75 WeakPolarHBondContact CG-OG 3.46Å; E73-S75 PolarHBondContact O-N 2.9Å; E73-S76 WeakPolarHBondContact CG-OG 3.34Å; E73-S76 PolarHBondContact O-N 3.14Å; E73-S76 PolarHBondContact O-OG 3.31Å; E73-S76 WeakPolarHBondContact OE2-CB 3.33Å; E73-S76 PolarHBondContact OE2-OG 2.82Å; E73-S77 PolarHBondContact O-N 3.37Å; E73-S77 VanDerWaalsContact O-N 3.14Å; E73-T78 PolarHBondContact N-O 2.98Å; E73-T78 PolarHBondContact O-N 3.09Å; E73-T78 VanDerWaalsContact O-N 3.09Å; E73-Y80 HydrophobicContact CB-CE2 3.96Å
74	K	96.2	Very high	97.3	Very high	89 Å²	89	42.4 Å²	42.4	39%	0.387	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-31	-174.3	-64.1	-176.4	-173.8	179.5	0	112.9	F29 P53 D56 V72 S76 S77	F29-K74 HydrophobicContact CE1-CG 4.5Å; P53-K74 WeakPolarHBondContact O-CE 3.35Å; P53-K74 PolarHBondContact O-NZ 2.97Å; D56-K74 WeakPolarHBondContact OD1-CE 3.49Å; D56-K74 IonicContact OD1-NZ 2.59Å; D56-K74 PolarHBondContact OD1-NZ 2.84Å; D56-K74 IonicContact OD2-NZ 3.96Å; D56-K74 PolarHBondContact OD2-NZ 2.57Å; V72-K74 HydrophobicContact CG1-CG 4.37Å; V72-K74 HydrophobicContact CG2-CG 4.08Å; K74-S76 VanDerWaalsContact C-N 3.28Å; K74-S76 PolarHBondContact O-N 3.49Å; K74-S77 PolarHBondContact O-N 2.79Å
75	S	96.3	Very high	97.3	Very high	111 Å²	111	50 Å²	50	78%	0.776	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-31	178.8	53.9	0	0	0	0	112.9	E73	E73-S75 VanDerWaalsContact C-N 3.3Å; E73-S75 WeakPolarHBondContact CG-OG 3.46Å; E73-S75 PolarHBondContact O-N 2.9Å
76	S	97.3	Very high	97.4	Very high	28 Å²	28	45.5 Å²	45.5	20%	0.196	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	0	179.1	71.6	0	0	0	0	113.6	K23 E73 K74 T78	K23-S76 WeakPolarHBondContact CE-O 3.01Å; E73-S76 WeakPolarHBondContact CG-OG 3.34Å; E73-S76 PolarHBondContact O-N 3.14Å; E73-S76 PolarHBondContact O-OG 3.31Å; E73-S76 WeakPolarHBondContact OE2-CB 3.33Å; E73-S76 PolarHBondContact OE2-OG 2.82Å; K74-S76 VanDerWaalsContact C-N 3.28Å; K74-S76 PolarHBondContact O-N 3.49Å; S76-T78 VanDerWaalsContact C-N 3.31Å; S76-T78 PolarHBondContact O-N 3.03Å; S76-T78 PolarHBondContact O-OG1 3.01Å; S76-T78 WeakPolarHBondContact OG-CB 3.43Å; S76-T78 PolarHBondContact OG-OG1 3.47Å
77	S	98	Very high	97.5	Very high	34 Å²	34	46.1 Å²	46.1	24%	0.238	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	42.9	-172.8	-58.2	0	0	0	0	112.8	A24 F29 E73 K74	A24-S77 PolarHBondContact N-O 2.78Å; A24-S77 WeakPolarHBondContact O-CB 3.17Å; F29-S77 WeakPolarHBondContact CE2-O 3.18Å; E73-S77 PolarHBondContact O-N 3.37Å; E73-S77 VanDerWaalsContact O-N 3.14Å; K74-S77 PolarHBondContact O-N 2.79Å
78	T	98.5	Very high	97.3	Very high	7 Å²	7	48.7 Å²	48.7	4%	0.043	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.5	-173.8	-51.1	0	0	0	0	111.3	C22 V72 E73 S76 Y80	C22-T78 WeakPolarHBondContact O-CA 3.35Å; V72-T78 WeakPolarHBondContact CA-O 3.32Å; E73-T78 PolarHBondContact N-O 2.98Å; E73-T78 PolarHBondContact O-N 3.09Å; E73-T78 VanDerWaalsContact O-N 3.09Å; S76-T78 VanDerWaalsContact C-N 3.31Å; S76-T78 PolarHBondContact O-N 3.03Å; S76-T78 PolarHBondContact O-OG1 3.01Å; S76-T78 WeakPolarHBondContact OG-CB 3.43Å; S76-T78 PolarHBondContact OG-OG1 3.47Å; T78-Y80 HydrophobicContact CG2-CD1 4.39Å; T78-Y80 HydrophobicContact CG2-CD2 4.17Å; T78-Y80 HydrophobicContact CG2-CE1 3.91Å; T78-Y80 HydrophobicContact CG2-CE2 3.62Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.47Å
79	V	98.4	Very high	97	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	138.5	165.3	179	0	0	0	0	108.4	C22 F29 I34 F51 T71 V72	C22-V79 PolarHBondContact N-O 3.27Å; C22-V79 PolarHBondContact O-N 2.83Å; F29-V79 HydrophobicContact CE2-CG2 4.06Å; F29-V79 HydrophobicContact CZ-CG2 3.69Å; I34-V79 HydrophobicContact CB-CB 4.09Å; I34-V79 HydrophobicContact CB-CG1 4.4Å; I34-V79 HydrophobicContact CB-CG2 3.81Å; I34-V79 HydrophobicContact CG1-CB 4.27Å; I34-V79 HydrophobicContact CG1-CG2 3.65Å; I34-V79 HydrophobicContact CG2-CB 4.14Å; I34-V79 HydrophobicContact CG2-CG1 4.42Å; I34-V79 HydrophobicContact CG2-CG2 4.39Å; F51-V79 HydrophobicContact CB-CG1 3.92Å; T71-V79 CarbonylContact O-C 3.51Å; T71-V79 WeakPolarHBondContact O-CA 3.39Å; V72-V79 HydrophobicContact CG2-CG2 4.14Å
80	Y	98.5	Very high	96.8	Very high	51 Å²	51	51.6 Å²	51.6	20%	0.2	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.4	177.4	-57.4	-96.1	0	0	0	110.8	K19 M20 L70 T71 E73 T78	K19-Y80 HydrophobicContact CD-CD1 4.37Å; K19-Y80 VanDerWaalsContact CE-CG 3.5Å; K19-Y80 HydrophobicContact CG-CD1 4.19Å; M20-Y80 CarbonylContact O-C 3.59Å; M20-Y80 WeakPolarHBondContact O-CA 3.25Å; M20-Y80 WeakPolarHBondContact O-CB 3.48Å; L70-Y80 WeakPolarHBondContact CA-O 3.35Å; T71-Y80 PolarHBondContact N-O 3.39Å; T71-Y80 PolarHBondContact O-N 2.86Å; E73-Y80 HydrophobicContact CB-CE2 3.96Å; T78-Y80 HydrophobicContact CG2-CD1 4.39Å; T78-Y80 HydrophobicContact CG2-CD2 4.17Å; T78-Y80 HydrophobicContact CG2-CE1 3.91Å; T78-Y80 HydrophobicContact CG2-CE2 3.62Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.47Å
81	L	98.6	Very high	96.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	116.2	165.5	169.6	60	0	0	0	108.6	K19 M20 W36 I48 A68 L70 L83 Y94	K19-L81 WeakPolarHBondContact CA-O 3.14Å; M20-L81 HydrophobicContact CE-CB 4Å; M20-L81 HydrophobicContact CE-CD2 3.39Å; M20-L81 HydrophobicContact CE-CG 3.73Å; M20-L81 PolarHBondContact N-O 2.81Å; M20-L81 PolarHBondContact O-N 3.14Å; W36-L81 HydrophobicContact CB-CD2 3.96Å; W36-L81 HydrophobicContact CD2-CB 3.55Å; W36-L81 HydrophobicContact CD2-CD2 3.74Å; W36-L81 HydrophobicContact CD2-CG 4.27Å; W36-L81 VanDerWaalsContact CE2-CB 3.48Å; W36-L81 HydrophobicContact CE3-CB 3.94Å; W36-L81 HydrophobicContact CE3-CD2 3.66Å; W36-L81 HydrophobicContact CE3-CG 4.44Å; W36-L81 HydrophobicContact CG-CB 3.98Å; W36-L81 HydrophobicContact CG-CD2 3.91Å; W36-L81 HydrophobicContact CG-CG 4.47Å; W36-L81 HydrophobicContact CH2-CB 4.14Å; W36-L81 HydrophobicContact CZ2-CB 3.79Å; W36-L81 HydrophobicContact CZ3-CB 4.21Å; W36-L81 HydrophobicContact CZ3-CD2 4.37Å; I48-L81 HydrophobicContact CD1-CD2 3.58Å; I48-L81 HydrophobicContact CG2-CD1 4.18Å; I48-L81 HydrophobicContact CG2-CD2 4.42Å; A68-L81 HydrophobicContact CB-CD1 3.79Å; L70-L81 HydrophobicContact CD2-CB 3.95Å; L70-L81 HydrophobicContact CD2-CD1 3.83Å; L70-L81 HydrophobicContact CD2-CG 4.45Å; L81-L83 HydrophobicContact CD1-CD2 3.96Å; L81-L83 HydrophobicContact CD1-CG 4.25Å; L81-L83 HydrophobicContact CD2-CD2 4.46Å; L81-L83 HydrophobicContact CD2-CG 4.4Å; L81-L83 HydrophobicContact CG-CD2 4.34Å; L81-L83 HydrophobicContact CG-CG 4.16Å; L81-Y94 HydrophobicContact CD2-CD1 4.21Å
82	E	98.3	Very high	96.5	Very high	72 Å²	72	54.2 Å²	54.2	34%	0.336	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.6	169.5	-174.3	172.8	175.3	0	0	109.8	V18 K19 A68 T69	V18-E82 CarbonylContact O-C 3.6Å; V18-E82 VanDerWaalsContact O-CA 3.28Å; V18-E82 WeakPolarHBondContact O-CA 3.3Å; K19-E82 HydrophobicContact CB-CB 4.46Å; K19-E82 HydrophobicContact CB-CG 4.44Å; K19-E82 HydrophobicContact CG-CB 4.37Å; A68-E82 CarbonylContact C-O 3.5Å; A68-E82 WeakPolarHBondContact CA-O 3.4Å; T69-E82 PolarHBondContact N-O 3.41Å; T69-E82 PolarHBondContact O-N 3.34Å
83	L	97.8	Very high	96.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.3	173.2	-62.5	169.8	0	0	0	108.6	S17 V18 M20 K67 A68 L81 L86 Y94	S17-L83 CarbonylContact C-O 3.57Å; S17-L83 WeakPolarHBondContact CA-O 3.38Å; S17-L83 WeakPolarHBondContact CB-O 3.48Å; V18-L83 HydrophobicContact CG1-CB 4.12Å; V18-L83 HydrophobicContact CG1-CD1 4.43Å; V18-L83 PolarHBondContact N-O 3.18Å; V18-L83 PolarHBondContact O-N 3.37Å; M20-L83 HydrophobicContact CE-CD1 4.45Å; K67-L83 WeakPolarHBondContact O-CA 3.33Å; A68-L83 HydrophobicContact CB-CD2 3.79Å; L81-L83 HydrophobicContact CD1-CD2 3.96Å; L81-L83 HydrophobicContact CD1-CG 4.25Å; L81-L83 HydrophobicContact CD2-CD2 4.46Å; L81-L83 HydrophobicContact CD2-CG 4.4Å; L81-L83 HydrophobicContact CG-CD2 4.34Å; L81-L83 HydrophobicContact CG-CG 4.16Å; L83-L86 HydrophobicContact CB-CD2 3.69Å; L83-L86 HydrophobicContact CB-CG 4.5Å; L83-L86 HydrophobicContact CD1-CD2 4.26Å; L83-Y94 HydrophobicContact CD1-CD1 4.17Å; L83-Y94 HydrophobicContact CD1-CE1 3.45Å; L83-Y94 VanDerWaalsContact CD1-CE1 3.45Å; L83-Y94 HydrophobicContact CD1-CE2 4.25Å; L83-Y94 VanDerWaalsContact CD1-CZ 3.5Å
84	S	97.2	Very high	96.4	Very high	28 Å²	28	52.5 Å²	52.5	20%	0.196	30%	0.295	C	S	.	.			trans	-110.2	157	-178.9	62.5	0	0	0	0	112.5	S17 K67 L86	S17-S84 WeakPolarHBondContact OG-CA 3.43Å; K67-S84 WeakPolarHBondContact CE-O 3.41Å; K67-S84 VanDerWaalsContact CG-O 3.31Å; K67-S84 WeakPolarHBondContact CG-O 3.27Å; K67-S84 PolarHBondContact O-N 3.27Å; K67-S84 PolarHBondContact O-OG 3.48Å; S84-L86 VanDerWaalsContact C-N 3.34Å; S84-L86 PolarHBondContact O-N 3.16Å
85	R	96.3	Very high	96.5	Very high	169 Å²	169	52.8 Å²	52.8	64%	0.638	29%	0.294	S	S	*	.	S	Bend	trans	54.4	49.9	173.8	-57.7	175.5	-71.6	-179.6	-1.6	111.9	A16 G66	A16-R85 PolarHBondContact O-N 3.49Å; G66-R85 PolarHBondContact O-NH2 2.92Å
86	L	96.7	Very high	96.6	Very high	13 Å²	13	48.2 Å²	48.2	7%	0.068	26%	0.262	C	S	.	.			trans	-63.9	141.5	-173.9	-68.1	168.7	0	0	0	112.1	V12 G15 A16 V18 L83 S84 D90	V12-L86 HydrophobicContact CG2-CD1 3.48Å; V12-L86 VanDerWaalsContact CG2-CD1 3.48Å; G15-L86 PolarHBondContact N-O 2.77Å; A16-L86 WeakPolarHBondContact O-CB 3.34Å; A16-L86 WeakPolarHBondContact O-CG 3.11Å; A16-L86 PolarHBondContact O-N 2.85Å; V18-L86 HydrophobicContact CB-CD1 3.93Å; V18-L86 HydrophobicContact CG1-CD1 3.8Å; L83-L86 HydrophobicContact CB-CD2 3.69Å; L83-L86 HydrophobicContact CB-CG 4.5Å; L83-L86 HydrophobicContact CD1-CD2 4.26Å; S84-L86 VanDerWaalsContact C-N 3.34Å; S84-L86 PolarHBondContact O-N 3.16Å; L86-D90 VanDerWaalsContact CA-OD2 3.31Å; L86-D90 WeakPolarHBondContact CA-OD2 2.95Å; L86-D90 HydrophobicContact CD2-CB 3.55Å
87	T	95.2	Very high	96.6	Very high	69 Å²	69	48.6 Å²	48.6	42%	0.423	27%	0.267	S	S	.	.			trans	-119.4	174.2	173.6	67.8	0	0	0	0	109.5	D89 D90	T87-D89 PolarHBondContact O-N 2.85Å; T87-D89 VanDerWaalsContact O-N 3.16Å; T87-D89 PolarHBondContact OG1-N 2.88Å; T87-D90 PolarHBondContact N-OD2 3.49Å; T87-D90 PolarHBondContact O-N 3.37Å; T87-D90 PolarHBondContact OG1-OD2 3.47Å
88	S	92.9	Very high	96.3	Very high	97 Å²	97	52 Å²	52	68%	0.678	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-55.5	-30.3	174.1	50.4	0	0	0	0	113	D90 S91	S88-D90 PolarHBondContact O-N 2.84Å; S88-S91 WeakPolarHBondContact O-CB 3.48Å; S88-S91 PolarHBondContact O-N 3.4Å
89	D	91.6	Very high	96.2	Very high	119 Å²	119	54.3 Å²	54.3	64%	0.636	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-69.3	-14.3	180	-62.7	-22.1	0	0	0	113.1	K38 T87	K38-D89 WeakPolarHBondContact CE-O 3.45Å; K38-D89 PolarHBondContact NZ-O 3.21Å; T87-D89 PolarHBondContact O-N 2.85Å; T87-D89 VanDerWaalsContact O-N 3.16Å; T87-D89 PolarHBondContact OG1-N 2.88Å
90	D	94.2	Very high	96.1	Very high	12 Å²	12	57.2 Å²	57.2	6%	0.064	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-89.6	-5.2	176.3	-55.2	-55.4	0	0	0	114	K38 K67 L86 T87 S88 A92 Y94	K38-D90 IonicContact NZ-OD1 2.75Å; K67-D90 WeakPolarHBondContact CE-OD1 3.49Å; K67-D90 WeakPolarHBondContact CE-OD2 3.31Å; K67-D90 IonicContact NZ-OD1 2.82Å; K67-D90 PolarHBondContact NZ-OD1 2.02Å; K67-D90 IonicContact NZ-OD2 2.84Å; K67-D90 PolarHBondContact NZ-OD2 3.32Å; L86-D90 VanDerWaalsContact CA-OD2 3.31Å; L86-D90 WeakPolarHBondContact CA-OD2 2.95Å; L86-D90 HydrophobicContact CD2-CB 3.55Å; T87-D90 PolarHBondContact N-OD2 3.49Å; T87-D90 PolarHBondContact O-N 3.37Å; T87-D90 PolarHBondContact OG1-OD2 3.47Å; S88-D90 PolarHBondContact O-N 2.84Å; D90-A92 PolarHBondContact O-N 2.87Å; D90-A92 VanDerWaalsContact O-N 3.08Å; D90-Y94 WeakPolarHBondContact O-CE2 3.27Å; D90-Y94 PolarHBondContact O-OH 2.96Å
91	S	94.5	Very high	95.9	Very high	88 Å²	88	57.5 Å²	57.5	62%	0.615	31%	0.307	S	S	*	.			trans	-67	107.3	173.4	-170.3	0	0	0	0	109.7	S88	S88-S91 WeakPolarHBondContact O-CB 3.48Å; S88-S91 PolarHBondContact O-N 3.4Å
92	A	95.8	Very high	95.8	Very high	24 Å²	24	60.9 Å²	60.9	20%	0.198	33%	0.325	C	S	.	.	S	Bend	trans	-161.2	168.1	-170.2	0	0	0	0	0	110.7	K38 Q39 N40 D90 Y94	K38-A92 HydrophobicContact CD-CB 4.25Å; K38-A92 HydrophobicContact CG-CB 3.58Å; Q39-A92 WeakPolarHBondContact O-CB 3.19Å; N40-A92 WeakPolarHBondContact OD1-CB 3.4Å; D90-A92 PolarHBondContact O-N 2.87Å; D90-A92 VanDerWaalsContact O-N 3.08Å; A92-Y94 HydrophobicContact CB-CD2 4.41Å; A92-Y94 HydrophobicContact CB-CE2 3.83Å
93	V	96	Very high	95.6	Very high	66 Å²	66	60.2 Å²	60.2	40%	0.4	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	131.9	161.3	-170.9	0	0	0	0	108.3	Q39 Y95	Q39-V93 PolarHBondContact N-O 2.93Å; Q39-V93 PolarHBondContact O-N 3.04Å; V93-Y95 HydrophobicContact CB-CE2 3.82Å; V93-Y95 HydrophobicContact CG1-CD1 4.44Å; V93-Y95 HydrophobicContact CG1-CD2 4.16Å; V93-Y95 HydrophobicContact CG1-CE1 3.83Å; V93-Y95 HydrophobicContact CG1-CE2 3.49Å; V93-Y95 VanDerWaalsContact CG1-CE2 3.49Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.41Å
94	Y	97.1	Very high	95.5	Very high	25 Å²	25	64.2 Å²	64.2	10%	0.098	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.5	176.1	-68.2	-92.2	0	0	0	108.9	Q6 M20 M37 K38 I48 L81 L83 D90 A92	Q6-Y94 PolarHBondContact NE2-O 3.1Å; M20-Y94 HydrophobicContact CE-CD1 3.91Å; M20-Y94 HydrophobicContact CE-CD2 4.24Å; M20-Y94 HydrophobicContact CE-CG 3.64Å; M20-Y94 HydrophobicContact SD-CD2 3.99Å; M20-Y94 HydrophobicContact SD-CG 3.85Å; M37-Y94 CarbonylContact O-C 3.55Å; M37-Y94 WeakPolarHBondContact O-CA 3.33Å; K38-Y94 HydrophobicContact CB-CD1 4.21Å; K38-Y94 HydrophobicContact CB-CE1 3.92Å; K38-Y94 HydrophobicContact CD-CE1 3.98Å; K38-Y94 WeakPolarHBondContact CE-OH 3.32Å; K38-Y94 HydrophobicContact CG-CD1 4.35Å; K38-Y94 HydrophobicContact CG-CE1 3.74Å; I48-Y94 HydrophobicContact CD1-CD1 3.61Å; I48-Y94 HydrophobicContact CD1-CE1 3.73Å; L81-Y94 HydrophobicContact CD2-CD1 4.21Å; L83-Y94 HydrophobicContact CD1-CD1 4.17Å; L83-Y94 HydrophobicContact CD1-CE1 3.45Å; L83-Y94 VanDerWaalsContact CD1-CE1 3.45Å; L83-Y94 HydrophobicContact CD1-CE2 4.25Å; L83-Y94 VanDerWaalsContact CD1-CZ 3.5Å; D90-Y94 WeakPolarHBondContact O-CE2 3.27Å; D90-Y94 PolarHBondContact O-OH 2.96Å; A92-Y94 HydrophobicContact CB-CD2 4.41Å; A92-Y94 HydrophobicContact CB-CE2 3.83Å
95	Y	97.2	Very high	95.4	Very high	96 Å²	96	66.8 Å²	66.8	38%	0.376	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136.3	179.6	-63.1	-80.6	0	0	0	109.6	W36 M37 Q39 L45 V93	W36-Y95 WeakPolarHBondContact CA-O 3.25Å; M37-Y95 PolarHBondContact N-O 3Å; M37-Y95 PolarHBondContact O-N 3.11Å; Q39-Y95 HydrophobicContact CB-CD2 4.31Å; Q39-Y95 HydrophobicContact CB-CE2 3.83Å; Q39-Y95 VanDerWaalsContact OE1-CE2 3.31Å; Q39-Y95 PolarHBondContact OE1-OH 2.96Å; L45-Y95 HydrophobicContact CD2-CD2 4.14Å; L45-Y95 HydrophobicContact CD2-CE2 4.47Å; V93-Y95 HydrophobicContact CB-CE2 3.82Å; V93-Y95 HydrophobicContact CG1-CD1 4.44Å; V93-Y95 HydrophobicContact CG1-CD2 4.16Å; V93-Y95 HydrophobicContact CG1-CE1 3.83Å; V93-Y95 HydrophobicContact CG1-CE2 3.49Å; V93-Y95 VanDerWaalsContact CG1-CE2 3.49Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.41Å
96	C	97.8	Very high	95.3	Very high	14 Å²	14	58.9 Å²	58.9	10%	0.095	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	145	158.4	73.2	0	0	0	0	110.4	Q6 C22 I34 E35 W36	Q6-C96 VanDerWaalsContact CD-N 3.35Å; Q6-C96 HydrophobicContact CG-CB 4.27Å; Q6-C96 WeakPolarHBondContact CG-SG 3.31Å; C22-C96 HydrophobicContact CB-CB 3.43Å; C22-C96 VanDerWaalsContact CB-CB 3.43Å; C22-C96 WeakPolarHBondContact CB-SG 3.31Å; C22-C96 WeakPolarHBondContact SG-CB 3.46Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 3.38Å; I34-C96 HydrophobicContact CG2-CB 4.03Å; E35-C96 CarbonylContact O-C 3.51Å; E35-C96 WeakPolarHBondContact O-CA 3.17Å; W36-C96 HydrophobicContact CD2-CB 4.12Å; W36-C96 HydrophobicContact CE3-CB 4.12Å; W36-C96 HydrophobicContact CH2-CB 4.15Å; W36-C96 HydrophobicContact CZ2-CB 4.12Å; W36-C96 HydrophobicContact CZ3-CB 4.14Å
97	A	97.3	Very high	95.2	Very high	37 Å²	37	62.8 Å²	62.8	31%	0.306	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	162.4	-179.5	0	0	0	0	0	111	I34 E35	I34-A97 WeakPolarHBondContact CA-O 3.29Å; E35-A97 HydrophobicContact CB-CB 4.43Å; E35-A97 PolarHBondContact N-O 2.93Å; E35-A97 PolarHBondContact O-N 2.78Å
98	R	92.5	Very high	95.2	Very high	106 Å²	106	62.2 Å²	62.2	40%	0.4	35%	0.352	S	S	.	.			trans	-138.3	0	169.9	166	174.6	165.3	-118.7	-6	108.2	V2 L4 Y27 Y32 I34	V2-R98 VanDerWaalsContact CG1-NH1 3.25Å; L4-R98 HydrophobicContact CD1-CB 4.08Å; Y27-R98 VanDerWaalsContact CD2-CZ 3.42Å; Y27-R98 VanDerWaalsContact CG-CZ 3.46Å; Y27-R98 WeakPolarHBondContact OH-CD 3.37Å; Y32-R98 VanDerWaalsContact CB-NE 3.34Å; Y32-R98 HydrophobicContact CD1-CG 4.43Å; Y32-R98 VanDerWaalsContact CD2-CZ 3.4Å; Y32-R98 HydrophobicContact CG-CG 4.11Å; Y32-R98 VanDerWaalsContact CZ-NH2 3.34Å; I34-R98 HydrophobicContact CD1-CB 4.19Å

Retrieved 98 of 98 residues in 123.3 ms (Link to these results)

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