A0A075B5W7_MOUSE Loading...

Immunoglobulin heavy variable 1-56

AlphaFold DB , UniProt , Accession A0A075B5W7, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-56, Length 98 aa.

						>A0A075B5W7_MOUSE|A0A075B5W7|Ighv1-56
QVQLQQSGPELVRPGASVKISCKAPGYTFTSHWMQWVRQRPGQGLEWIGEIFPGSGSTYYNEKFKGKATLTVDTSSSTAYMQLSSLTSEDSAVYFCAR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	Q	68.1	Low	91.8	Very high	205 Å²	205	105.4 Å²	105.4	96%	0.958	57%	0.572	S	S	*	*				0	131.6	0	-173.8	176.3	5.6	0	0	107.7	Q3	Q1-Q3 HydrophobicContact CG-CG 4.35Å
2	V	80	Confident	92.1	Very high	74 Å²	74	101.3 Å²	101.3	45%	0.448	55%	0.552	S	S	.	*			trans	-85.6	129.9	174.9	175.1	0	0	0	0	107.9	Y27	V2-Y27 HydrophobicContact CG1-CD1 3.66Å; V2-Y27 HydrophobicContact CG1-CE1 3.82Å; V2-Y27 HydrophobicContact CG2-CD1 4.16Å
3	Q	89.8	Confident	92.4	Very high	118 Å²	118	109.5 Å²	109.5	55%	0.551	57%	0.571	S	S	*	*			trans	-134.6	139.9	172.8	-68.7	-171.9	-8.3	0	0	109.2	Q1 P25	Q1-Q3 HydrophobicContact CG-CG 4.35Å; Q3-P25 WeakPolarHBondContact O-CD 3.42Å
4	L	94.5	Very high	92.7	Very high	57 Å²	57	109.9 Å²	109.9	30%	0.298	58%	0.583	S	S	.	*			trans	-102.1	127.6	170.9	-60	-175.9	0	0	0	108.2	K23 A24 Y27 M34 R98	L4-K23 WeakPolarHBondContact CA-O 3.49Å; L4-A24 HydrophobicContact CD2-CB 3.37Å; L4-Y27 HydrophobicContact CD2-CE1 4.32Å; L4-M34 HydrophobicContact CD1-SD 4.27Å; L4-M34 HydrophobicContact CD2-CE 3.93Å; L4-R98 HydrophobicContact CD1-CB 4.4Å
5	Q	95.9	Very high	93	Very high	130 Å²	130	106.1 Å²	106.1	61%	0.607	58%	0.581	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-115.6	108.4	-179.1	-174.5	179.5	13.8	0	0	109.5	C22 K23	Q5-C22 WeakPolarHBondContact O-CA 3.24Å; Q5-K23 HydrophobicContact CB-CB 4.42Å; Q5-K23 PolarHBondContact N-O 3.11Å; Q5-K23 PolarHBondContact O-N 2.78Å
6	Q	97.2	Very high	93.3	Very high	61 Å²	61	101.6 Å²	101.6	29%	0.285	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.8	158	177.2	-74.1	-178.2	-121.7	0	0	112.7	S21 C22 Y94 C96	Q6-S21 CarbonylContact C-O 3.5Å; Q6-S21 WeakPolarHBondContact CA-O 3.33Å; Q6-C22 HydrophobicContact CG-CB 4.15Å; Q6-Y94 PolarHBondContact NE2-O 3.4Å; Q6-C96 VanDerWaalsContact CD-SG 3.59Å; Q6-C96 HydrophobicContact CG-CB 4.37Å; Q6-C96 WeakPolarHBondContact CG-SG 3.1Å; Q6-C96 PolarHBondContact OE1-SG 3.06Å
7	S	97.2	Very high	93.5	Very high	38 Å²	38	99.2 Å²	99.2	27%	0.266	55%	0.554	S	S	.	*			trans	-59.9	156.5	164.9	51.7	0	0	0	0	110.9	I20 S21	S7-I20 WeakPolarHBondContact OG-CG2 3.31Å; S7-S21 WeakPolarHBondContact CB-OG 3.44Å; S7-S21 PolarHBondContact N-O 3.48Å; S7-S21 PolarHBondContact OG-N 3.42Å
8	G	97.2	Very high	93.7	Very high	53 Å²	53	94.6 Å²	94.6	55%	0.546	53%	0.529	S	S	.	.			trans	-68.3	177.1	179.3	0	0	0	0	0	113.5
9	P	96.9	Very high	94	Very high	139 Å²	139	95.2 Å²	95.2	90%	0.903	53%	0.525	S	S	*	.			trans	-64.2	142.1	176.8	28.5	-34.7	0	0	0	111.1
10	E	96.2	Very high	94.2	Very high	108 Å²	108	91.4 Å²	91.4	51%	0.505	50%	0.504	S	S	.	.			trans	-127.2	133.8	177.1	-68.7	-174.8	-121.9	0	0	110.1	V18	E10-V18 HydrophobicContact CB-CG2 3.99Å; E10-V18 VanDerWaalsContact CD-CG2 3.49Å; E10-V18 HydrophobicContact CG-CG2 4.33Å; E10-V18 WeakPolarHBondContact OE2-CG2 3.38Å
11	L	96.4	Very high	94.4	Very high	176 Å²	176	88.5 Å²	88.5	92%	0.921	49%	0.49	S	S	*	.			trans	-108.3	122	170.9	-178.4	66.1	0	0	0	108.6
12	V	96	Very high	95.8	Very high	56 Å²	56	78.8 Å²	78.8	34%	0.339	45%	0.445	S	S	.	.			trans	-128.5	158.2	-175.4	-61.2	0	0	0	0	110.8	A16 V18 L86	V12-A16 HydrophobicContact CB-CB 4.07Å; V12-V18 HydrophobicContact CG1-CG2 4.49Å; V12-L86 HydrophobicContact CG2-CD1 3.52Å
13	R	96.2	Very high	96.6	Very high	209 Å²	209	79.7 Å²	79.7	79%	0.789	44%	0.443	S	S	*	.			trans	-79.1	153.3	176.9	-61.1	-179.8	-172.2	179.3	2.2	110.4	G15 A16	R13-G15 PolarHBondContact O-N 2.77Å; R13-A16 WeakPolarHBondContact O-CB 3.42Å; R13-A16 PolarHBondContact O-N 3.39Å
14	P	95.9	Very high	96.8	Very high	114 Å²	114	74 Å²	74	74%	0.74	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	140	168.5	-25.3	34.8	0	0	0	111.7	A16 L86	P14-A16 PolarHBondContact O-N 3.35Å; P14-L86 CarbonylContact C-O 3.53Å; P14-L86 WeakPolarHBondContact CA-O 3.34Å
15	G	97.2	Very high	96.4	Very high	54 Å²	54	74.1 Å²	74.1	56%	0.557	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-12.8	-174.7	0	0	0	0	0	114.8	R13 L86	R13-G15 PolarHBondContact O-N 2.77Å; G15-L86 PolarHBondContact N-O 2.99Å
16	A	97.9	Very high	96	Very high	33 Å²	33	70.9 Å²	70.9	27%	0.273	42%	0.422	S	S	.	.			trans	-70.6	170.2	175.9	0	0	0	0	0	112	V12 R13 P14 S85 L86	V12-A16 HydrophobicContact CB-CB 4.07Å; R13-A16 WeakPolarHBondContact O-CB 3.42Å; R13-A16 PolarHBondContact O-N 3.39Å; P14-A16 PolarHBondContact O-N 3.35Å; A16-S85 PolarHBondContact O-N 3.15Å; A16-L86 WeakPolarHBondContact O-CB 3.33Å; A16-L86 WeakPolarHBondContact O-CG 3.4Å; A16-L86 PolarHBondContact O-N 2.86Å
17	S	97.4	Very high	95.6	Very high	62 Å²	62	69.8 Å²	69.8	43%	0.434	42%	0.415	S	S	.	.			trans	-116	150.1	170.7	-54.3	0	0	0	0	109.8	L83 S84	S17-L83 CarbonylContact C-O 3.52Å; S17-L83 WeakPolarHBondContact CA-O 3.46Å; S17-L83 WeakPolarHBondContact CB-O 3.47Å; S17-S84 WeakPolarHBondContact OG-CA 3.14Å
18	V	97.6	Very high	95.4	Very high	16 Å²	16	72 Å²	72	10%	0.097	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.7	176	73.6	0	0	0	0	109.6	E10 V12 I20 Q82 L83 L86	E10-V18 HydrophobicContact CB-CG2 3.99Å; E10-V18 VanDerWaalsContact CD-CG2 3.49Å; E10-V18 HydrophobicContact CG-CG2 4.33Å; E10-V18 WeakPolarHBondContact OE2-CG2 3.38Å; V12-V18 HydrophobicContact CG1-CG2 4.49Å; V18-I20 HydrophobicContact CG1-CG1 4.38Å; V18-Q82 CarbonylContact O-C 3.55Å; V18-Q82 VanDerWaalsContact O-CA 3.28Å; V18-Q82 WeakPolarHBondContact O-CA 3.04Å; V18-L83 HydrophobicContact CG1-CB 4.09Å; V18-L83 HydrophobicContact CG1-CD1 4.33Å; V18-L83 PolarHBondContact N-O 3.46Å; V18-L83 PolarHBondContact O-N 2.87Å; V18-L86 HydrophobicContact CB-CD1 4.01Å; V18-L86 HydrophobicContact CG1-CD1 3.83Å
19	K	97.9	Very high	95.3	Very high	106 Å²	106	69.8 Å²	69.8	46%	0.461	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	105.5	176.8	-173.4	178.4	-177.9	179.2	0	110.2	Y80 M81	K19-Y80 HydrophobicContact CD-CD1 4.34Å; K19-Y80 VanDerWaalsContact CE-CD1 3.48Å; K19-Y80 HydrophobicContact CG-CD1 4.28Å; K19-M81 WeakPolarHBondContact CA-O 3.33Å
20	I	98.2	Very high	95.2	Very high	18 Å²	18	66 Å²	66	9%	0.092	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	129.5	-179.6	-48.9	-173.4	0	0	0	108.8	S7 V18 W36 Y80 M81 Y94	S7-I20 WeakPolarHBondContact OG-CG2 3.31Å; V18-I20 HydrophobicContact CG1-CG1 4.38Å; I20-W36 HydrophobicContact CB-CH2 4.25Å; I20-W36 HydrophobicContact CB-CZ3 4.07Å; I20-W36 HydrophobicContact CG2-CH2 4.03Å; I20-W36 HydrophobicContact CG2-CZ3 3.72Å; I20-Y80 CarbonylContact O-C 3.59Å; I20-Y80 VanDerWaalsContact O-CA 3.23Å; I20-Y80 WeakPolarHBondContact O-CA 3.44Å; I20-M81 HydrophobicContact CB-CE 4.46Å; I20-M81 HydrophobicContact CD1-CE 3.58Å; I20-M81 HydrophobicContact CG1-CE 4.2Å; I20-M81 PolarHBondContact N-O 3.22Å; I20-M81 PolarHBondContact O-N 2.86Å; I20-Y94 HydrophobicContact CD1-CD1 4.47Å; I20-Y94 HydrophobicContact CD1-CD2 4Å; I20-Y94 HydrophobicContact CD1-CG 3.78Å
21	S	98.3	Very high	95.2	Very high	32 Å²	32	63.9 Å²	63.9	22%	0.224	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	147.1	173.6	66.1	0	0	0	0	111	Q6 S7 A79 Y80	Q6-S21 CarbonylContact C-O 3.5Å; Q6-S21 WeakPolarHBondContact CA-O 3.33Å; S7-S21 WeakPolarHBondContact CB-OG 3.44Å; S7-S21 PolarHBondContact N-O 3.48Å; S7-S21 PolarHBondContact OG-N 3.42Å; S21-A79 CarbonylContact C-O 3.51Å; S21-Y80 VanDerWaalsContact CB-CE1 3.5Å
22	C	98	Very high	95.1	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	105.2	169.4	177.5	0	0	0	0	109.6	Q5 Q6 W36 T78 A79 C96	Q5-C22 WeakPolarHBondContact O-CA 3.24Å; Q6-C22 HydrophobicContact CG-CB 4.15Å; C22-W36 HydrophobicContact CB-CH2 3.68Å; C22-W36 HydrophobicContact CB-CZ2 3.94Å; C22-T78 WeakPolarHBondContact O-CA 3.29Å; C22-A79 PolarHBondContact N-O 2.02Å; C22-A79 PolarHBondContact O-N 2.84Å; C22-C96 HydrophobicContact CB-CB 3.43Å; C22-C96 VanDerWaalsContact CB-CB 3.43Å; C22-C96 WeakPolarHBondContact CB-SG 3.06Å; C22-C96 WeakPolarHBondContact SG-CB 3.22Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 2.93Å
23	K	96.9	Very high	95.2	Very high	93 Å²	93	60.2 Å²	60.2	40%	0.404	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	134.8	176.8	-166.6	-177.2	-179.5	173.8	0	109.7	L4 Q5 P25	L4-K23 WeakPolarHBondContact CA-O 3.49Å; Q5-K23 HydrophobicContact CB-CB 4.42Å; Q5-K23 PolarHBondContact N-O 3.11Å; Q5-K23 PolarHBondContact O-N 2.78Å; K23-P25 WeakPolarHBondContact O-CD 3.28Å
24	A	93.3	Very high	95.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	31%	0.308	C	S	.	.			trans	-132.1	66.7	-169.1	0	0	0	0	0	112.2	L4 Y27 F29 M34 S77	L4-A24 HydrophobicContact CD2-CB 3.37Å; A24-Y27 HydrophobicContact CB-CE1 3.56Å; A24-Y27 WeakPolarHBondContact CB-OH 3.3Å; A24-Y27 VanDerWaalsContact O-CE1 3.26Å; A24-Y27 WeakPolarHBondContact O-CE1 3.38Å; A24-F29 HydrophobicContact CB-CD2 3.81Å; A24-F29 HydrophobicContact CB-CE2 4Å; A24-M34 HydrophobicContact CB-CE 3.76Å; A24-S77 PolarHBondContact N-O 2.85Å
25	P	87.4	Confident	95.4	Very high	59 Å²	59	47 Å²	47	38%	0.383	28%	0.283	S	S	.	.			trans	-73.7	162.4	178.9	33.5	-36.4	0	0	0	112.2	Q3 K23	Q3-P25 WeakPolarHBondContact O-CD 3.42Å; K23-P25 WeakPolarHBondContact O-CD 3.28Å
26	G	87.2	Confident	95.4	Very high	62 Å²	62	44.5 Å²	44.5	64%	0.639	26%	0.256	S	S	*	.	S	Bend	trans	89.3	15.3	169.5	0	0	0	0	0	115.5
27	Y	88.8	Confident	95.5	Very high	37 Å²	37	44.1 Å²	44.1	15%	0.145	25%	0.251	C	S	.	.	S	Bend	trans	-157.8	173	170.4	66.8	-88.4	0	0	0	111.6	V2 L4 A24 F29 H32 R98	V2-Y27 HydrophobicContact CG1-CD1 3.66Å; V2-Y27 HydrophobicContact CG1-CE1 3.82Å; V2-Y27 HydrophobicContact CG2-CD1 4.16Å; L4-Y27 HydrophobicContact CD2-CE1 4.32Å; A24-Y27 HydrophobicContact CB-CE1 3.56Å; A24-Y27 WeakPolarHBondContact CB-OH 3.3Å; A24-Y27 VanDerWaalsContact O-CE1 3.26Å; A24-Y27 WeakPolarHBondContact O-CE1 3.38Å; Y27-F29 VanDerWaalsContact C-N 3.27Å; Y27-F29 VanDerWaalsContact CE2-CA 3.43Å; Y27-F29 HydrophobicContact CE2-CB 4.24Å; Y27-F29 HydrophobicContact CE2-CD2 4.21Å; Y27-F29 PolarHBondContact O-N 2.95Å; Y27-H32 AromaticContact CD2-CD2 3.85Å; Y27-H32 HydrophobicContact CE2-CB 4.19Å; Y27-R98 VanDerWaalsContact CE1-NH1 3.29Å; Y27-R98 VanDerWaalsContact CE2-NH1 3.35Å; Y27-R98 WeakPolarHBondContact OH-CD 3.35Å
28	T	93.2	Very high	95.5	Very high	86 Å²	86	42.1 Å²	42.1	53%	0.528	23%	0.233	S	C	.	.			trans	-70.2	80.3	173.8	-44.4	0	0	0	0	110.8	T30 S31 H32	T28-T30 PolarHBondContact O-N 2.82Å; T28-T30 VanDerWaalsContact O-N 3.1Å; T28-S31 WeakPolarHBondContact CG2-OG 3.44Å; T28-S31 PolarHBondContact O-N 2.71Å; T28-H32 PolarHBondContact O-CD2 3.18Å
29	F	94.3	Very high	95.5	Very high	5 Å²	5	45.1 Å²	45.1	2%	0.022	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-49.2	-39.3	-175.8	177.3	-118.3	0	0	0	113.6	A24 Y27 S31 H32 M34 P53 V72 S77 A79	A24-F29 HydrophobicContact CB-CD2 3.81Å; A24-F29 HydrophobicContact CB-CE2 4Å; Y27-F29 VanDerWaalsContact C-N 3.27Å; Y27-F29 VanDerWaalsContact CE2-CA 3.43Å; Y27-F29 HydrophobicContact CE2-CB 4.24Å; Y27-F29 HydrophobicContact CE2-CD2 4.21Å; Y27-F29 PolarHBondContact O-N 2.95Å; F29-S31 PolarHBondContact O-N 3.15Å; F29-S31 VanDerWaalsContact O-N 3.15Å; F29-H32 PolarHBondContact O-N 3Å; F29-M34 HydrophobicContact CE2-CE 3.89Å; F29-P53 HydrophobicContact CD1-CB 3.78Å; F29-P53 HydrophobicContact CD1-CG 4.18Å; F29-P53 HydrophobicContact CD2-CG 4.06Å; F29-P53 HydrophobicContact CE1-CB 3.58Å; F29-P53 HydrophobicContact CE1-CG 3.83Å; F29-P53 HydrophobicContact CE2-CB 4.31Å; F29-P53 HydrophobicContact CE2-CG 3.66Å; F29-P53 HydrophobicContact CG-CB 4.27Å; F29-P53 HydrophobicContact CG-CG 4.32Å; F29-P53 HydrophobicContact CZ-CB 3.86Å; F29-P53 HydrophobicContact CZ-CG 3.54Å; F29-P53 WeakPolarHBondContact O-CB 3.35Å; F29-P53 WeakPolarHBondContact O-CG 3.5Å; F29-V72 HydrophobicContact CD1-CG2 4.5Å; F29-V72 HydrophobicContact CE1-CG2 3.31Å; F29-V72 HydrophobicContact CZ-CG2 3.56Å; F29-S77 VanDerWaalsContact CD1-CA 3.49Å; F29-A79 HydrophobicContact CZ-CB 4.14Å
30	T	96.1	Very high	95.4	Very high	59 Å²	59	42.7 Å²	42.7	36%	0.362	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-65.9	-10.1	178.3	53.1	0	0	0	0	115.4	T28 F52 G54 T74	T28-T30 PolarHBondContact O-N 2.82Å; T28-T30 VanDerWaalsContact O-N 3.1Å; T30-F52 WeakPolarHBondContact O-CZ 3.4Å; T30-G54 WeakPolarHBondContact O-CA 3.2Å; T30-G54 PolarHBondContact O-N 2.91Å; T30-G54 VanDerWaalsContact O-N 3.15Å; T30-T74 HydrophobicContact CG2-CG2 4.03Å
31	S	95.6	Very high	95.2	Very high	65 Å²	65	47.4 Å²	47.4	46%	0.455	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-107.2	4.5	-175.8	-59.1	0	0	0	0	114.2	T28 F29	T28-S31 WeakPolarHBondContact CG2-OG 3.44Å; T28-S31 PolarHBondContact O-N 2.71Å; F29-S31 PolarHBondContact O-N 3.15Å; F29-S31 VanDerWaalsContact O-N 3.15Å
32	H	94.8	Very high	95.1	Very high	71 Å²	71	50.2 Å²	50.2	33%	0.329	30%	0.3	S	S	.	.	S	Bend	trans	-138.2	139	-175.6	-62.3	-89.1	0	0	0	112.5	Y27 T28 F29 P53 R98	Y27-H32 AromaticContact CD2-CD2 3.85Å; Y27-H32 HydrophobicContact CE2-CB 4.19Å; T28-H32 PolarHBondContact O-CD2 3.18Å; F29-H32 PolarHBondContact O-N 3Å; H32-P53 WeakPolarHBondContact O-CD 3.18Å; H32-R98 HydrophobicContact CB-CG 4.13Å; H32-R98 PolarHBondContact CD2-NE 2.57Å; H32-R98 PolarHBondContact CD2-NH2 2.92Å; H32-R98 PolarHBondContact CE1-NH2 2.83Å; H32-R98 PolarHBondContact ND1-NE 2.82Å; H32-R98 PolarHBondContact ND1-NH2 2.62Å; H32-R98 PolarHBondContact NE2-NH2 3.23Å
33	W	97.2	Very high	94.9	Very high	84 Å²	84	54.6 Å²	54.6	32%	0.318	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-62.5	137.4	172.8	-66.2	93.9	0	0	0	111	E50 I51 F52 S57 Y59	W33-E50 HydrophobicContact CD2-CG 4.43Å; W33-E50 HydrophobicContact CE3-CB 4.06Å; W33-E50 HydrophobicContact CE3-CG 3.55Å; W33-E50 HydrophobicContact CZ3-CG 3.86Å; W33-I51 VanDerWaalsContact CE3-C 3.42Å; W33-F52 AromaticContact CD1-CD2 3.87Å; W33-F52 HydrophobicContact CD2-CB 3.76Å; W33-F52 AromaticContact CD2-CD2 3.79Å; W33-F52 HydrophobicContact CD2-CD2 3.79Å; W33-F52 HydrophobicContact CD2-CG 4.22Å; W33-F52 AromaticContact CE2-CD2 3.63Å; W33-F52 AromaticContact CE2-CG 4Å; W33-F52 HydrophobicContact CE3-CB 3.57Å; W33-F52 HydrophobicContact CE3-CD2 4.45Å; W33-F52 HydrophobicContact CE3-CG 4.5Å; W33-F52 VanDerWaalsContact CE3-N 3.27Å; W33-F52 AromaticContact CG-CD2 3.91Å; W33-F52 HydrophobicContact CG-CD2 3.91Å; W33-F52 HydrophobicContact CH2-CB 3.47Å; W33-F52 VanDerWaalsContact CH2-CB 3.47Å; W33-F52 HydrophobicContact CH2-CG 4.33Å; W33-F52 HydrophobicContact CZ2-CB 3.67Å; W33-F52 HydrophobicContact CZ2-CD2 4.15Å; W33-F52 HydrophobicContact CZ2-CG 4.06Å; W33-F52 HydrophobicContact CZ3-CB 3.44Å; W33-F52 VanDerWaalsContact CZ3-CB 3.44Å; W33-F52 VanDerWaalsContact CZ3-N 3.3Å; W33-F52 AromaticContact NE1-CD2 3.68Å; W33-S57 WeakPolarHBondContact CZ3-O 3.19Å; W33-Y59 AromaticContact CH2-CD2 3.77Å; W33-Y59 HydrophobicContact CH2-CD2 3.77Å; W33-Y59 AromaticContact CH2-CE2 3.39Å; W33-Y59 HydrophobicContact CH2-CE2 3.39Å; W33-Y59 HydrophobicContact CZ2-CE2 4.11Å; W33-Y59 AromaticContact CZ3-CD2 3.77Å; W33-Y59 HydrophobicContact CZ3-CD2 3.77Å; W33-Y59 AromaticContact CZ3-CE2 3.92Å; W33-Y59 HydrophobicContact CZ3-CE2 3.92Å
34	M	97.5	Very high	94.8	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	116.7	166.9	-175.6	64.1	65.7	0	0	108.6	L4 A24 F29 E50 I51 A79 C96 A97	L4-M34 HydrophobicContact CD1-SD 4.27Å; L4-M34 HydrophobicContact CD2-CE 3.93Å; A24-M34 HydrophobicContact CB-CE 3.76Å; F29-M34 HydrophobicContact CE2-CE 3.89Å; M34-E50 CarbonylContact O-C 3.58Å; M34-E50 WeakPolarHBondContact O-CA 3.48Å; M34-I51 HydrophobicContact CB-CG2 3.98Å; M34-I51 PolarHBondContact N-O 2.92Å; M34-I51 PolarHBondContact O-N 2.89Å; M34-A79 HydrophobicContact CB-CB 4.16Å; M34-A79 HydrophobicContact CG-CB 3.74Å; M34-C96 HydrophobicContact CG-CB 4.43Å; M34-C96 HydrophobicContact SD-CB 3.75Å; M34-A97 VanDerWaalsContact SD-O 3.37Å
35	Q	98.1	Very high	95	Very high	45 Å²	45	58.6 Å²	58.6	21%	0.21	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	146.6	177.2	-54.3	-62.3	-49.5	0	0	110.4	E50 C96 A97	Q35-E50 PolarHBondContact NE2-OE2 3.18Å; Q35-C96 CarbonylContact O-C 3.57Å; Q35-C96 VanDerWaalsContact O-CA 3.23Å; Q35-C96 WeakPolarHBondContact O-CA 3.44Å; Q35-A97 HydrophobicContact CB-CB 4.17Å; Q35-A97 PolarHBondContact N-O 3.39Å; Q35-A97 PolarHBondContact O-N 3.47Å
36	W	98.5	Very high	95.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	129.8	168.6	-68	92	0	0	0	110.3	I20 C22 I48 G49 L70 A79 M81 F95 C96	I20-W36 HydrophobicContact CB-CH2 4.25Å; I20-W36 HydrophobicContact CB-CZ3 4.07Å; I20-W36 HydrophobicContact CG2-CH2 4.03Å; I20-W36 HydrophobicContact CG2-CZ3 3.72Å; C22-W36 HydrophobicContact CB-CH2 3.68Å; C22-W36 HydrophobicContact CB-CZ2 3.94Å; W36-I48 HydrophobicContact CB-CB 4.14Å; W36-I48 HydrophobicContact CB-CD1 4.37Å; W36-I48 WeakPolarHBondContact O-CB 3.33Å; W36-I48 PolarHBondContact O-N 3.01Å; W36-G49 PolarHBondContact N-O 2.86Å; W36-L70 HydrophobicContact CG-CD2 4.06Å; W36-A79 HydrophobicContact CZ2-CB 4.23Å; W36-M81 HydrophobicContact CB-SD 4.01Å; W36-M81 HydrophobicContact CD2-CB 3.63Å; W36-M81 HydrophobicContact CD2-CG 4.4Å; W36-M81 HydrophobicContact CD2-SD 4.12Å; W36-M81 HydrophobicContact CE3-CB 3.82Å; W36-M81 HydrophobicContact CE3-CE 3.94Å; W36-M81 HydrophobicContact CE3-SD 4.06Å; W36-M81 HydrophobicContact CG-CB 4.18Å; W36-M81 HydrophobicContact CG-SD 4.13Å; W36-M81 HydrophobicContact CH2-CB 4.02Å; W36-M81 HydrophobicContact CZ2-CB 3.85Å; W36-M81 HydrophobicContact CZ3-CB 4.01Å; W36-M81 HydrophobicContact CZ3-CE 4.33Å; W36-F95 WeakPolarHBondContact CA-O 3.47Å; W36-C96 HydrophobicContact CD2-CB 4.39Å; W36-C96 HydrophobicContact CE3-CB 4.12Å; W36-C96 HydrophobicContact CH2-CB 4.16Å; W36-C96 HydrophobicContact CZ2-CB 4.4Å; W36-C96 HydrophobicContact CZ3-CB 4Å
37	V	98.3	Very high	96	Very high	26 Å²	26	58.2 Å²	58.2	16%	0.158	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	140.4	-175.3	-175.8	0	0	0	0	108.8	L45 E46 Y94 F95	V37-L45 HydrophobicContact CG1-CB 3.83Å; V37-L45 HydrophobicContact CG1-CD2 3.98Å; V37-L45 HydrophobicContact CG1-CG 4.36Å; V37-E46 CarbonylContact C-O 3.45Å; V37-E46 WeakPolarHBondContact CA-O 3.14Å; V37-E46 WeakPolarHBondContact CG1-O 3.34Å; V37-Y94 WeakPolarHBondContact O-CA 3.12Å; V37-F95 PolarHBondContact N-O 2.97Å; V37-F95 PolarHBondContact O-N 3.25Å
38	R	97.6	Very high	96.4	Very high	19 Å²	19	56.5 Å²	56.5	7%	0.072	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	151.1	168.6	71.2	171.8	-173.1	-162.6	-8.7	112.3	E46 I48 F64 D90 A92 V93 Y94	R38-E46 HydrophobicContact CG-CB 3.96Å; R38-E46 IonicContact CZ-OE2 3.47Å; R38-E46 PolarHBondContact N-O 3.44Å; R38-E46 IonicContact NE-OE2 3.98Å; R38-E46 PolarHBondContact NE-OE2 2.97Å; R38-E46 IonicContact NH2-OE1 2.68Å; R38-E46 IonicContact NH2-OE2 3.12Å; R38-E46 PolarHBondContact NH2-OE2 2.9Å; R38-E46 PolarHBondContact O-N 3.06Å; R38-I48 HydrophobicContact CB-CD1 4.07Å; R38-I48 HydrophobicContact CB-CG1 4.48Å; R38-I48 HydrophobicContact CG-CG1 4.46Å; R38-F64 HydrophobicContact CG-CZ 4.03Å; R38-F64 VanDerWaalsContact NE-CZ 3.29Å; R38-D90 IonicContact NH1-OD1 3.21Å; R38-D90 PolarHBondContact NH1-OD1 2.66Å; R38-A92 HydrophobicContact CB-CB 4.03Å; R38-V93 CarbonylContact C-O 3.57Å; R38-V93 WeakPolarHBondContact CA-O 3.23Å; R38-Y94 HydrophobicContact CB-CD1 3.73Å; R38-Y94 HydrophobicContact CB-CE1 3.59Å; R38-Y94 HydrophobicContact CG-CE1 4.49Å
39	Q	97.9	Very high	96.7	Very high	80 Å²	80	52.4 Å²	52.4	37%	0.374	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	116.1	170.1	-169.9	-179.3	29	0	0	109.8	L45 A92 V93 F95	Q39-L45 HydrophobicContact CB-CD2 3.96Å; Q39-L45 HydrophobicContact CG-CD2 4.2Å; Q39-A92 WeakPolarHBondContact O-CA 3.21Å; Q39-A92 WeakPolarHBondContact O-CB 3.26Å; Q39-V93 PolarHBondContact N-O 3.21Å; Q39-V93 PolarHBondContact O-N 3.5Å; Q39-F95 HydrophobicContact CB-CE2 3.86Å
40	R	96.2	Very high	96.9	Very high	55 Å²	55	54 Å²	54	21%	0.208	31%	0.308	C	S	.	.			trans	-87.9	151.7	173.1	-65.4	-169.2	-67.8	-175	-0	110.4	G42 Q43 E89 A92	R40-G42 PolarHBondContact O-N 3.37Å; R40-Q43 HydrophobicContact CB-CB 4.05Å; R40-Q43 HydrophobicContact CB-CG 4.09Å; R40-Q43 VanDerWaalsContact NE-CD 3.31Å; R40-Q43 PolarHBondContact O-N 2.92Å; R40-E89 VanDerWaalsContact CD-O 3.3Å; R40-E89 WeakPolarHBondContact CD-O 2.95Å; R40-E89 PolarHBondContact NH1-O 3.24Å; R40-A92 HydrophobicContact CG-CB 3.95Å
41	P	94.9	Very high	97	Very high	117 Å²	117	51.3 Å²	51.3	76%	0.76	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	126	173.3	-25.2	34.5	0	0	0	111.1	Q43	P41-Q43 PolarHBondContact O-N 3.31Å
42	G	95.1	Very high	97.1	Very high	91 Å²	91	50.6 Å²	50.6	94%	0.938	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	9	-179.9	0	0	0	0	0	115.7	R40	R40-G42 PolarHBondContact O-N 3.37Å
43	Q	94.3	Very high	97.2	Very high	92 Å²	92	47.4 Å²	47.4	43%	0.43	27%	0.266	S	S	.	.	S	Bend	trans	-120	160.2	177.9	-56.5	-169.1	15.5	0	0	112.1	R40 P41	R40-Q43 HydrophobicContact CB-CB 4.05Å; R40-Q43 HydrophobicContact CB-CG 4.09Å; R40-Q43 VanDerWaalsContact NE-CD 3.31Å; R40-Q43 PolarHBondContact O-N 2.92Å; P41-Q43 PolarHBondContact O-N 3.31Å
44	G	94	Very high	97.2	Very high	57 Å²	57	45.6 Å²	45.6	59%	0.588	27%	0.273	S	S	*	.			trans	-67.4	175.8	173.2	0	0	0	0	0	113.1
45	L	97	Very high	97.2	Very high	120 Å²	120	49.1 Å²	49.1	63%	0.628	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	135.3	171.4	-64.8	176.5	0	0	0	110.1	V37 Q39	V37-L45 HydrophobicContact CG1-CB 3.83Å; V37-L45 HydrophobicContact CG1-CD2 3.98Å; V37-L45 HydrophobicContact CG1-CG 4.36Å; Q39-L45 HydrophobicContact CB-CD2 3.96Å; Q39-L45 HydrophobicContact CG-CD2 4.2Å
46	E	97.8	Very high	97.2	Very high	27 Å²	27	48.7 Å²	48.7	13%	0.126	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	118	175.4	-172.2	172.4	-145.9	0	0	109.7	V37 R38 K63 F64	V37-E46 CarbonylContact C-O 3.45Å; V37-E46 WeakPolarHBondContact CA-O 3.14Å; V37-E46 WeakPolarHBondContact CG1-O 3.34Å; R38-E46 HydrophobicContact CG-CB 3.96Å; R38-E46 IonicContact CZ-OE2 3.47Å; R38-E46 PolarHBondContact N-O 3.44Å; R38-E46 IonicContact NE-OE2 3.98Å; R38-E46 PolarHBondContact NE-OE2 2.97Å; R38-E46 IonicContact NH2-OE1 2.68Å; R38-E46 IonicContact NH2-OE2 3.12Å; R38-E46 PolarHBondContact NH2-OE2 2.9Å; R38-E46 PolarHBondContact O-N 3.06Å; E46-K63 WeakPolarHBondContact OE1-CD 3.44Å; E46-K63 IonicContact OE1-NZ 2.9Å; E46-K63 PolarHBondContact OE1-NZ 3.25Å; E46-F64 HydrophobicContact CG-CE2 3.93Å; E46-F64 HydrophobicContact CG-CZ 4.18Å
47	W	98.2	Very high	97.2	Very high	86 Å²	86	51.2 Å²	51.2	33%	0.326	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	131	177.3	-178.2	79.8	0	0	0	110.6	G49 E50 Y60 N61	W47-G49 VanDerWaalsContact CZ2-C 3.42Å; W47-G49 PolarHBondContact NE1-O 2.86Å; W47-E50 HydrophobicContact CZ2-CB 4.07Å; W47-E50 HydrophobicContact CZ2-CG 3.89Å; W47-Y60 VanDerWaalsContact CZ3-C 3.45Å; W47-N61 HydrophobicContact CE3-CB 3.66Å; W47-N61 HydrophobicContact CZ3-CB 3.89Å; W47-N61 WeakPolarHBondContact O-CB 3.23Å; W47-N61 PolarHBondContact O-ND2 2.86Å
48	I	98.4	Very high	97.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-46.7	-178.2	-59.9	174.7	0	0	0	110.1	W36 R38 N61 F64 A68 M81 Y94	W36-I48 HydrophobicContact CB-CB 4.14Å; W36-I48 HydrophobicContact CB-CD1 4.37Å; W36-I48 WeakPolarHBondContact O-CB 3.33Å; W36-I48 PolarHBondContact O-N 3.01Å; R38-I48 HydrophobicContact CB-CD1 4.07Å; R38-I48 HydrophobicContact CB-CG1 4.48Å; R38-I48 HydrophobicContact CG-CG1 4.46Å; I48-N61 PolarHBondContact O-N 2.8Å; I48-F64 HydrophobicContact CB-CD1 4.44Å; I48-F64 HydrophobicContact CB-CD2 4.35Å; I48-F64 HydrophobicContact CB-CG 4.28Å; I48-F64 HydrophobicContact CD1-CE1 4.38Å; I48-F64 HydrophobicContact CG1-CD1 4.17Å; I48-F64 HydrophobicContact CG1-CD2 4.4Å; I48-F64 HydrophobicContact CG1-CE1 3.87Å; I48-F64 HydrophobicContact CG1-CE2 4.12Å; I48-F64 HydrophobicContact CG1-CG 4.39Å; I48-F64 HydrophobicContact CG1-CZ 3.81Å; I48-F64 HydrophobicContact CG2-CB 3.86Å; I48-F64 HydrophobicContact CG2-CD1 3.87Å; I48-F64 HydrophobicContact CG2-CD2 4.3Å; I48-F64 HydrophobicContact CG2-CE1 4.43Å; I48-F64 HydrophobicContact CG2-CG 3.76Å; I48-A68 HydrophobicContact CG2-CB 3.8Å; I48-M81 HydrophobicContact CD1-CE 4.2Å; I48-M81 HydrophobicContact CD1-SD 3.6Å; I48-M81 HydrophobicContact CG2-SD 3.97Å; I48-Y94 HydrophobicContact CD1-CD1 3.62Å; I48-Y94 HydrophobicContact CD1-CE1 3.69Å
49	G	98.5	Very high	97.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167	177.3	-171.1	0	0	0	0	0	111.7	W36 W47 Y59	W36-G49 PolarHBondContact N-O 2.86Å; W47-G49 VanDerWaalsContact CZ2-C 3.42Å; W47-G49 PolarHBondContact NE1-O 2.86Å; G49-Y59 CarbonylContact C-O 3.56Å; G49-Y59 WeakPolarHBondContact CA-O 3.42Å
50	E	98.5	Very high	97.2	Very high	38 Å²	38	56.8 Å²	56.8	18%	0.178	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	155.2	176.7	67.2	-174.5	156	0	0	111.1	W33 M34 Q35 W47 T58 Y59 L70	W33-E50 HydrophobicContact CD2-CG 4.43Å; W33-E50 HydrophobicContact CE3-CB 4.06Å; W33-E50 HydrophobicContact CE3-CG 3.55Å; W33-E50 HydrophobicContact CZ3-CG 3.86Å; M34-E50 CarbonylContact O-C 3.58Å; M34-E50 WeakPolarHBondContact O-CA 3.48Å; Q35-E50 PolarHBondContact NE2-OE2 3.18Å; W47-E50 HydrophobicContact CZ2-CB 4.07Å; W47-E50 HydrophobicContact CZ2-CG 3.89Å; E50-T58 VanDerWaalsContact O-CA 3.29Å; E50-T58 WeakPolarHBondContact O-CA 3.39Å; E50-Y59 HydrophobicContact CG-CD2 4.07Å; E50-Y59 PolarHBondContact N-O 2.8Å; E50-Y59 PolarHBondContact O-N 3.18Å; E50-Y59 WeakPolarHBondContact OE1-CD2 3Å; E50-L70 WeakPolarHBondContact O-CD1 3.49Å
51	I	98.5	Very high	97.3	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.015	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.9	173	-175.7	164.8	0	0	0	109.9	W33 M34 P53 S57 T58 L70 V72 A79	W33-I51 VanDerWaalsContact CE3-C 3.42Å; M34-I51 HydrophobicContact CB-CG2 3.98Å; M34-I51 PolarHBondContact N-O 2.92Å; M34-I51 PolarHBondContact O-N 2.89Å; I51-P53 WeakPolarHBondContact O-CD 3.34Å; I51-S57 CarbonylContact C-O 3.57Å; I51-S57 WeakPolarHBondContact CA-O 3.37Å; I51-T58 HydrophobicContact CB-CG2 4.08Å; I51-T58 HydrophobicContact CD1-CG2 3.91Å; I51-T58 HydrophobicContact CG1-CG2 3.86Å; I51-L70 HydrophobicContact CB-CB 4.11Å; I51-L70 HydrophobicContact CB-CD1 4.35Å; I51-L70 HydrophobicContact CD1-CB 4.26Å; I51-L70 HydrophobicContact CG2-CB 4.44Å; I51-V72 HydrophobicContact CD1-CB 3.94Å; I51-V72 HydrophobicContact CD1-CG1 4.08Å; I51-A79 HydrophobicContact CG2-CB 4.36Å
52	F	98.1	Very high	97.4	Very high	50 Å²	50	56.8 Å²	56.8	22%	0.219	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	108.5	170.3	-168.1	-113.3	0	0	0	109.6	T30 W33 G54 S55 G56 S57	T30-F52 WeakPolarHBondContact O-CZ 3.4Å; W33-F52 AromaticContact CD1-CD2 3.87Å; W33-F52 HydrophobicContact CD2-CB 3.76Å; W33-F52 AromaticContact CD2-CD2 3.79Å; W33-F52 HydrophobicContact CD2-CD2 3.79Å; W33-F52 HydrophobicContact CD2-CG 4.22Å; W33-F52 AromaticContact CE2-CD2 3.63Å; W33-F52 AromaticContact CE2-CG 4Å; W33-F52 HydrophobicContact CE3-CB 3.57Å; W33-F52 HydrophobicContact CE3-CD2 4.45Å; W33-F52 HydrophobicContact CE3-CG 4.5Å; W33-F52 VanDerWaalsContact CE3-N 3.27Å; W33-F52 AromaticContact CG-CD2 3.91Å; W33-F52 HydrophobicContact CG-CD2 3.91Å; W33-F52 HydrophobicContact CH2-CB 3.47Å; W33-F52 VanDerWaalsContact CH2-CB 3.47Å; W33-F52 HydrophobicContact CH2-CG 4.33Å; W33-F52 HydrophobicContact CZ2-CB 3.67Å; W33-F52 HydrophobicContact CZ2-CD2 4.15Å; W33-F52 HydrophobicContact CZ2-CG 4.06Å; W33-F52 HydrophobicContact CZ3-CB 3.44Å; W33-F52 VanDerWaalsContact CZ3-CB 3.44Å; W33-F52 VanDerWaalsContact CZ3-N 3.3Å; W33-F52 AromaticContact NE1-CD2 3.68Å; F52-G54 PolarHBondContact O-N 2.82Å; F52-G54 VanDerWaalsContact O-N 3.15Å; F52-S55 WeakPolarHBondContact CD1-OG 3.47Å; F52-S55 PolarHBondContact O-N 2.68Å; F52-G56 WeakPolarHBondContact O-CA 3.4Å; F52-G56 PolarHBondContact O-N 2.61Å; F52-S57 PolarHBondContact N-O 3.24Å
53	P	97.3	Very high	97.4	Very high	4 Å²	4	59.3 Å²	59.3	3%	0.026	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-29.6	-175.4	-29.5	41	0	0	0	114.2	F29 H32 I51 S55 V72 T74	F29-P53 HydrophobicContact CD1-CB 3.78Å; F29-P53 HydrophobicContact CD1-CG 4.18Å; F29-P53 HydrophobicContact CD2-CG 4.06Å; F29-P53 HydrophobicContact CE1-CB 3.58Å; F29-P53 HydrophobicContact CE1-CG 3.83Å; F29-P53 HydrophobicContact CE2-CB 4.31Å; F29-P53 HydrophobicContact CE2-CG 3.66Å; F29-P53 HydrophobicContact CG-CB 4.27Å; F29-P53 HydrophobicContact CG-CG 4.32Å; F29-P53 HydrophobicContact CZ-CB 3.86Å; F29-P53 HydrophobicContact CZ-CG 3.54Å; F29-P53 WeakPolarHBondContact O-CB 3.35Å; F29-P53 WeakPolarHBondContact O-CG 3.5Å; H32-P53 WeakPolarHBondContact O-CD 3.18Å; I51-P53 WeakPolarHBondContact O-CD 3.34Å; P53-S55 PolarHBondContact O-N 2.75Å; P53-V72 HydrophobicContact CB-CG2 3.78Å; P53-V72 HydrophobicContact CG-CG2 4.21Å; P53-T74 WeakPolarHBondContact O-CG2 3.41Å
54	G	97	Very high	97.5	Very high	46 Å²	46	55 Å²	55	47%	0.474	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-27.9	-178.5	0	0	0	0	0	114.8	T30 F52	T30-G54 WeakPolarHBondContact O-CA 3.2Å; T30-G54 PolarHBondContact O-N 2.91Å; T30-G54 VanDerWaalsContact O-N 3.15Å; F52-G54 PolarHBondContact O-N 2.82Å; F52-G54 VanDerWaalsContact O-N 3.15Å
55	S	97.3	Very high	97.6	Very high	75 Å²	75	58.3 Å²	58.3	52%	0.524	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-11	-178.3	68	0	0	0	0	113.9	F52 P53 S57	F52-S55 WeakPolarHBondContact CD1-OG 3.47Å; F52-S55 PolarHBondContact O-N 2.68Å; P53-S55 PolarHBondContact O-N 2.75Å; S55-S57 PolarHBondContact O-N 2.75Å; S55-S57 VanDerWaalsContact OG-CB 3.32Å; S55-S57 WeakPolarHBondContact OG-CB 3.39Å; S55-S57 PolarHBondContact OG-N 2.83Å; S55-S57 PolarHBondContact OG-OG 2.78Å
56	G	97.2	Very high	97.5	Very high	37 Å²	37	56.4 Å²	56.4	38%	0.381	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	9.5	-170.4	0	0	0	0	0	113.9	F52	F52-G56 WeakPolarHBondContact O-CA 3.4Å; F52-G56 PolarHBondContact O-N 2.61Å
57	S	98.2	Very high	97.4	Very high	52 Å²	52	57.3 Å²	57.3	36%	0.364	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	136	177.1	-64.9	0	0	0	0	110.7	W33 I51 F52 S55	W33-S57 WeakPolarHBondContact CZ3-O 3.19Å; I51-S57 CarbonylContact C-O 3.57Å; I51-S57 WeakPolarHBondContact CA-O 3.37Å; F52-S57 PolarHBondContact N-O 3.24Å; S55-S57 PolarHBondContact O-N 2.75Å; S55-S57 VanDerWaalsContact OG-CB 3.32Å; S55-S57 WeakPolarHBondContact OG-CB 3.39Å; S55-S57 PolarHBondContact OG-N 2.83Å; S55-S57 PolarHBondContact OG-OG 2.78Å
58	T	98.4	Very high	97.4	Very high	51 Å²	51	53.4 Å²	53.4	31%	0.313	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	139.3	-177.8	56.9	0	0	0	0	111.7	E50 I51 Y60 L70	E50-T58 VanDerWaalsContact O-CA 3.29Å; E50-T58 WeakPolarHBondContact O-CA 3.39Å; I51-T58 HydrophobicContact CB-CG2 4.08Å; I51-T58 HydrophobicContact CD1-CG2 3.91Å; I51-T58 HydrophobicContact CG1-CG2 3.86Å; T58-Y60 WeakPolarHBondContact OG1-CE2 3Å; T58-L70 HydrophobicContact CG2-CB 4.04Å
59	Y	98.2	Very high	97.4	Very high	132 Å²	132	56.5 Å²	56.5	52%	0.518	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	147.7	166.5	-59.7	-78.5	0	0	0	109.6	W33 G49 E50	W33-Y59 AromaticContact CH2-CD2 3.77Å; W33-Y59 HydrophobicContact CH2-CD2 3.77Å; W33-Y59 AromaticContact CH2-CE2 3.39Å; W33-Y59 HydrophobicContact CH2-CE2 3.39Å; W33-Y59 HydrophobicContact CZ2-CE2 4.11Å; W33-Y59 AromaticContact CZ3-CD2 3.77Å; W33-Y59 HydrophobicContact CZ3-CD2 3.77Å; W33-Y59 AromaticContact CZ3-CE2 3.92Å; W33-Y59 HydrophobicContact CZ3-CE2 3.92Å; G49-Y59 CarbonylContact C-O 3.56Å; G49-Y59 WeakPolarHBondContact CA-O 3.42Å; E50-Y59 HydrophobicContact CG-CD2 4.07Å; E50-Y59 PolarHBondContact N-O 2.8Å; E50-Y59 PolarHBondContact O-N 3.18Å; E50-Y59 WeakPolarHBondContact OE1-CD2 3Å
60	Y	98.4	Very high	97.4	Very high	60 Å²	60	57 Å²	57	24%	0.235	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	148.1	-176.7	-64.6	-90.5	0	0	0	110	W47 T58 A68 L70	W47-Y60 VanDerWaalsContact CZ3-C 3.45Å; T58-Y60 WeakPolarHBondContact OG1-CE2 3Å; Y60-A68 HydrophobicContact CD1-CB 4.32Å; Y60-A68 HydrophobicContact CE1-CB 4.16Å; Y60-A68 WeakPolarHBondContact CE1-O 3.4Å; Y60-L70 HydrophobicContact CE1-CD1 4.13Å; Y60-L70 HydrophobicContact CE1-CG 3.72Å; Y60-L70 PolarHBondContact OH-N 2.82Å
61	N	97.6	Very high	97.4	Very high	40 Å²	40	57.9 Å²	57.9	21%	0.214	33%	0.331	C	S	.	.			trans	-68.3	134.8	157.5	-179.1	-31.3	0	0	0	108.3	W47 I48 K63 F64 K65	W47-N61 HydrophobicContact CE3-CB 3.66Å; W47-N61 HydrophobicContact CZ3-CB 3.89Å; W47-N61 WeakPolarHBondContact O-CB 3.23Å; W47-N61 PolarHBondContact O-ND2 2.86Å; I48-N61 PolarHBondContact O-N 2.8Å; N61-K63 PolarHBondContact O-N 3.43Å; N61-K63 PolarHBondContact OD1-N 2.81Å; N61-F64 HydrophobicContact CB-CD2 3.91Å; N61-F64 PolarHBondContact O-N 3.01Å; N61-K65 PolarHBondContact O-N 3.21Å
62	E	97.2	Very high	97.4	Very high	132 Å²	132	59.8 Å²	59.8	62%	0.617	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-53.7	-31.3	-178.4	-69.9	-61.5	142.9	0	0	112.9	F64 K65	E62-F64 PolarHBondContact O-N 2.85Å; E62-K65 WeakPolarHBondContact O-CB 3.43Å; E62-K65 PolarHBondContact O-N 2.84Å; E62-K65 IonicContact OE1-NZ 2.75Å; E62-K65 PolarHBondContact OE1-NZ 2.9Å; E62-K65 WeakPolarHBondContact OE2-CD 3.48Å; E62-K65 IonicContact OE2-NZ 2.75Å; E62-K65 PolarHBondContact OE2-NZ 3.27Å
63	K	95.3	Very high	97.3	Very high	144 Å²	144	59.9 Å²	59.9	63%	0.626	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-64	-25.5	175.8	-68.3	-176.9	-174.8	178.4	0	114.7	E46 N61	E46-K63 WeakPolarHBondContact OE1-CD 3.44Å; E46-K63 IonicContact OE1-NZ 2.9Å; E46-K63 PolarHBondContact OE1-NZ 3.25Å; N61-K63 PolarHBondContact O-N 3.43Å; N61-K63 PolarHBondContact OD1-N 2.81Å
64	F	96.8	Very high	97.2	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.009	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-108.4	-4.5	-177	-61.6	-93	0	0	0	112.6	R38 E46 I48 N61 E62 G66 K67 A68	R38-F64 HydrophobicContact CG-CZ 4.03Å; R38-F64 VanDerWaalsContact NE-CZ 3.29Å; E46-F64 HydrophobicContact CG-CE2 3.93Å; E46-F64 HydrophobicContact CG-CZ 4.18Å; I48-F64 HydrophobicContact CB-CD1 4.44Å; I48-F64 HydrophobicContact CB-CD2 4.35Å; I48-F64 HydrophobicContact CB-CG 4.28Å; I48-F64 HydrophobicContact CD1-CE1 4.38Å; I48-F64 HydrophobicContact CG1-CD1 4.17Å; I48-F64 HydrophobicContact CG1-CD2 4.4Å; I48-F64 HydrophobicContact CG1-CE1 3.87Å; I48-F64 HydrophobicContact CG1-CE2 4.12Å; I48-F64 HydrophobicContact CG1-CG 4.39Å; I48-F64 HydrophobicContact CG1-CZ 3.81Å; I48-F64 HydrophobicContact CG2-CB 3.86Å; I48-F64 HydrophobicContact CG2-CD1 3.87Å; I48-F64 HydrophobicContact CG2-CD2 4.3Å; I48-F64 HydrophobicContact CG2-CE1 4.43Å; I48-F64 HydrophobicContact CG2-CG 3.76Å; N61-F64 HydrophobicContact CB-CD2 3.91Å; N61-F64 PolarHBondContact O-N 3.01Å; E62-F64 PolarHBondContact O-N 2.85Å; F64-G66 PolarHBondContact O-N 3.39Å; F64-K67 PolarHBondContact O-N 2.88Å; F64-A68 HydrophobicContact CB-CB 4.08Å; F64-A68 PolarHBondContact O-N 2.6Å
65	K	95.5	Very high	97.1	Very high	125 Å²	125	66.1 Å²	66.1	54%	0.543	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-59.8	123.7	174.2	-161.6	175.2	-170.3	171.3	0	109.2	N61 E62 K67	N61-K65 PolarHBondContact O-N 3.21Å; E62-K65 WeakPolarHBondContact O-CB 3.43Å; E62-K65 PolarHBondContact O-N 2.84Å; E62-K65 IonicContact OE1-NZ 2.75Å; E62-K65 PolarHBondContact OE1-NZ 2.9Å; E62-K65 WeakPolarHBondContact OE2-CD 3.48Å; E62-K65 IonicContact OE2-NZ 2.75Å; E62-K65 PolarHBondContact OE2-NZ 3.27Å; K65-K67 VanDerWaalsContact C-N 3.26Å; K65-K67 PolarHBondContact O-N 3.02Å
66	G	94.3	Very high	97	Very high	80 Å²	80	64.4 Å²	64.4	83%	0.825	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-15.6	-174.1	0	0	0	0	0	115.2	F64	F64-G66 PolarHBondContact O-N 3.39Å
67	K	96.5	Very high	97	Very high	47 Å²	47	64.2 Å²	64.2	20%	0.204	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-44	174.4	-167.6	167.9	-161.5	168	0	112.6	F64 K65 L83 S84 D90	F64-K67 PolarHBondContact O-N 2.88Å; K65-K67 VanDerWaalsContact C-N 3.26Å; K65-K67 PolarHBondContact O-N 3.02Å; K67-L83 WeakPolarHBondContact O-CA 3.14Å; K67-S84 PolarHBondContact O-N 3.15Å; K67-D90 VanDerWaalsContact CE-CG 3.44Å; K67-D90 VanDerWaalsContact CE-OD1 3.24Å; K67-D90 WeakPolarHBondContact CE-OD1 3.46Å; K67-D90 WeakPolarHBondContact CE-OD2 3.48Å; K67-D90 IonicContact NZ-OD1 2.71Å; K67-D90 PolarHBondContact NZ-OD1 3.06Å; K67-D90 IonicContact NZ-OD2 2.57Å; K67-D90 PolarHBondContact NZ-OD2 3.45Å
68	A	98.1	Very high	97	Very high	4 Å²	4	62.1 Å²	62.1	3%	0.033	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	143.1	176.4	0	0	0	0	0	110.8	I48 Y60 F64 Q82 L83	I48-A68 HydrophobicContact CG2-CB 3.8Å; Y60-A68 HydrophobicContact CD1-CB 4.32Å; Y60-A68 HydrophobicContact CE1-CB 4.16Å; Y60-A68 WeakPolarHBondContact CE1-O 3.4Å; F64-A68 HydrophobicContact CB-CB 4.08Å; F64-A68 PolarHBondContact O-N 2.6Å; A68-Q82 CarbonylContact C-O 3.58Å; A68-Q82 WeakPolarHBondContact CA-O 3.39Å; A68-L83 HydrophobicContact CB-CD2 3.8Å
69	T	98.5	Very high	96.9	Very high	65 Å²	65	59.7 Å²	59.7	40%	0.399	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	119.7	168.5	-60.9	0	0	0	0	108.2	T71 Q82	T69-T71 HydrophobicContact CG2-CG2 4.22Å; T69-Q82 PolarHBondContact N-O 3.02Å; T69-Q82 PolarHBondContact O-N 2.98Å
70	L	98.6	Very high	97	Very high	9 Å²	9	56 Å²	56	5%	0.047	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	133.1	178.6	-53.2	-176.2	0	0	0	109.8	W36 E50 I51 T58 Y60 Y80 M81	W36-L70 HydrophobicContact CG-CD2 4.06Å; E50-L70 WeakPolarHBondContact O-CD1 3.49Å; I51-L70 HydrophobicContact CB-CB 4.11Å; I51-L70 HydrophobicContact CB-CD1 4.35Å; I51-L70 HydrophobicContact CD1-CB 4.26Å; I51-L70 HydrophobicContact CG2-CB 4.44Å; T58-L70 HydrophobicContact CG2-CB 4.04Å; Y60-L70 HydrophobicContact CE1-CD1 4.13Å; Y60-L70 HydrophobicContact CE1-CG 3.72Å; Y60-L70 PolarHBondContact OH-N 2.82Å; L70-Y80 WeakPolarHBondContact CA-O 3.38Å; L70-M81 HydrophobicContact CD2-CB 3.69Å; L70-M81 HydrophobicContact CD2-CG 3.63Å; L70-M81 HydrophobicContact CD2-SD 4.45Å
71	T	98.3	Very high	97	Very high	58 Å²	58	53.2 Å²	53.2	36%	0.356	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	165.1	177.7	60.2	0	0	0	0	110.3	T69 Y80	T69-T71 HydrophobicContact CG2-CG2 4.22Å; T71-Y80 PolarHBondContact N-O 3.33Å; T71-Y80 PolarHBondContact O-N 2.81Å
72	V	97.8	Very high	97	Very high	42 Å²	42	54.8 Å²	54.8	26%	0.255	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	142.1	-177.9	67.8	0	0	0	0	111.2	F29 I51 P53 T74	F29-V72 HydrophobicContact CD1-CG2 4.5Å; F29-V72 HydrophobicContact CE1-CG2 3.31Å; F29-V72 HydrophobicContact CZ-CG2 3.56Å; I51-V72 HydrophobicContact CD1-CB 3.94Å; I51-V72 HydrophobicContact CD1-CG1 4.08Å; P53-V72 HydrophobicContact CB-CG2 3.78Å; P53-V72 HydrophobicContact CG-CG2 4.21Å; V72-T74 HydrophobicContact CG1-CG2 4.47Å; V72-T74 HydrophobicContact CG2-CG2 4.26Å
73	D	97.1	Very high	97	Very high	53 Å²	53	48.5 Å²	48.5	28%	0.283	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	102.7	164.8	172.7	10.6	0	0	0	107.8	S75 S76 S77 T78 Y80	D73-S75 VanDerWaalsContact C-N 3.26Å; D73-S75 PolarHBondContact O-N 3.22Å; D73-S75 WeakPolarHBondContact OD1-CB 3.35Å; D73-S75 PolarHBondContact OD1-N 2.85Å; D73-S75 PolarHBondContact OD1-OG 2.88Å; D73-S76 PolarHBondContact OD1-N 2.87Å; D73-S76 WeakPolarHBondContact OD2-CB 3.32Å; D73-S76 PolarHBondContact OD2-OG 3.44Å; D73-S77 PolarHBondContact O-N 3.5Å; D73-T78 PolarHBondContact N-O 3.43Å; D73-T78 PolarHBondContact O-N 2.91Å; D73-Y80 HydrophobicContact CB-CE2 3.99Å
74	T	95.6	Very high	97.1	Very high	74 Å²	74	43.1 Å²	43.1	45%	0.454	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-22.5	-178.5	53.4	0	0	0	0	112.4	T30 P53 V72	T30-T74 HydrophobicContact CG2-CG2 4.03Å; P53-T74 WeakPolarHBondContact O-CG2 3.41Å; V72-T74 HydrophobicContact CG1-CG2 4.47Å; V72-T74 HydrophobicContact CG2-CG2 4.26Å
75	S	94.5	Very high	97.1	Very high	106 Å²	106	47 Å²	47	74%	0.741	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-35.2	179.9	75.7	0	0	0	0	112.2	D73	D73-S75 VanDerWaalsContact C-N 3.26Å; D73-S75 PolarHBondContact O-N 3.22Å; D73-S75 WeakPolarHBondContact OD1-CB 3.35Å; D73-S75 PolarHBondContact OD1-N 2.85Å; D73-S75 PolarHBondContact OD1-OG 2.88Å
76	S	95.3	Very high	97.2	Very high	39 Å²	39	41.8 Å²	41.8	27%	0.273	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	0	177.9	66.6	0	0	0	0	113.9	D73 T78	D73-S76 PolarHBondContact OD1-N 2.87Å; D73-S76 WeakPolarHBondContact OD2-CB 3.32Å; D73-S76 PolarHBondContact OD2-OG 3.44Å; S76-T78 VanDerWaalsContact C-N 3.31Å; S76-T78 PolarHBondContact O-N 2.93Å; S76-T78 PolarHBondContact O-OG1 2.91Å; S76-T78 WeakPolarHBondContact OG-CB 3.41Å; S76-T78 PolarHBondContact OG-OG1 2.97Å
77	S	96.3	Very high	97.3	Very high	33 Å²	33	41.1 Å²	41.1	23%	0.231	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	47.7	-170	-60.9	0	0	0	0	112.6	A24 F29 D73	A24-S77 PolarHBondContact N-O 2.85Å; F29-S77 VanDerWaalsContact CD1-CA 3.49Å; D73-S77 PolarHBondContact O-N 3.5Å
78	T	97.7	Very high	97.3	Very high	9 Å²	9	43.6 Å²	43.6	6%	0.055	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125.4	-174.7	-48.5	0	0	0	0	111	C22 D73 S76 Y80	C22-T78 WeakPolarHBondContact O-CA 3.29Å; D73-T78 PolarHBondContact N-O 3.43Å; D73-T78 PolarHBondContact O-N 2.91Å; S76-T78 VanDerWaalsContact C-N 3.31Å; S76-T78 PolarHBondContact O-N 2.93Å; S76-T78 PolarHBondContact O-OG1 2.91Å; S76-T78 WeakPolarHBondContact OG-CB 3.41Å; S76-T78 PolarHBondContact OG-OG1 2.97Å; T78-Y80 HydrophobicContact CG2-CD1 4.39Å; T78-Y80 HydrophobicContact CG2-CD2 4.33Å; T78-Y80 HydrophobicContact CG2-CE1 3.81Å; T78-Y80 HydrophobicContact CG2-CE2 3.72Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.43Å
79	A	98.2	Very high	97.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	149.4	166.3	0	0	0	0	0	109.8	S21 C22 F29 M34 W36 I51	S21-A79 CarbonylContact C-O 3.51Å; C22-A79 PolarHBondContact N-O 2.02Å; C22-A79 PolarHBondContact O-N 2.84Å; F29-A79 HydrophobicContact CZ-CB 4.14Å; M34-A79 HydrophobicContact CB-CB 4.16Å; M34-A79 HydrophobicContact CG-CB 3.74Å; W36-A79 HydrophobicContact CZ2-CB 4.23Å; I51-A79 HydrophobicContact CG2-CB 4.36Å
80	Y	98.5	Very high	97	Very high	55 Å²	55	46.9 Å²	46.9	22%	0.216	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.9	175.1	-54.9	-94.1	0	0	0	111	K19 I20 S21 L70 T71 D73 T78	K19-Y80 HydrophobicContact CD-CD1 4.34Å; K19-Y80 VanDerWaalsContact CE-CD1 3.48Å; K19-Y80 HydrophobicContact CG-CD1 4.28Å; I20-Y80 CarbonylContact O-C 3.59Å; I20-Y80 VanDerWaalsContact O-CA 3.23Å; I20-Y80 WeakPolarHBondContact O-CA 3.44Å; S21-Y80 VanDerWaalsContact CB-CE1 3.5Å; L70-Y80 WeakPolarHBondContact CA-O 3.38Å; T71-Y80 PolarHBondContact N-O 3.33Å; T71-Y80 PolarHBondContact O-N 2.81Å; D73-Y80 HydrophobicContact CB-CE2 3.99Å; T78-Y80 HydrophobicContact CG2-CD1 4.39Å; T78-Y80 HydrophobicContact CG2-CD2 4.33Å; T78-Y80 HydrophobicContact CG2-CE1 3.81Å; T78-Y80 HydrophobicContact CG2-CE2 3.72Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.43Å
81	M	98.5	Very high	96.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.7	165.8	177.9	-174.8	68	0	0	108.7	K19 I20 W36 I48 L70 L83 Y94	K19-M81 WeakPolarHBondContact CA-O 3.33Å; I20-M81 HydrophobicContact CB-CE 4.46Å; I20-M81 HydrophobicContact CD1-CE 3.58Å; I20-M81 HydrophobicContact CG1-CE 4.2Å; I20-M81 PolarHBondContact N-O 3.22Å; I20-M81 PolarHBondContact O-N 2.86Å; W36-M81 HydrophobicContact CB-SD 4.01Å; W36-M81 HydrophobicContact CD2-CB 3.63Å; W36-M81 HydrophobicContact CD2-CG 4.4Å; W36-M81 HydrophobicContact CD2-SD 4.12Å; W36-M81 HydrophobicContact CE3-CB 3.82Å; W36-M81 HydrophobicContact CE3-CE 3.94Å; W36-M81 HydrophobicContact CE3-SD 4.06Å; W36-M81 HydrophobicContact CG-CB 4.18Å; W36-M81 HydrophobicContact CG-SD 4.13Å; W36-M81 HydrophobicContact CH2-CB 4.02Å; W36-M81 HydrophobicContact CZ2-CB 3.85Å; W36-M81 HydrophobicContact CZ3-CB 4.01Å; W36-M81 HydrophobicContact CZ3-CE 4.33Å; I48-M81 HydrophobicContact CD1-CE 4.2Å; I48-M81 HydrophobicContact CD1-SD 3.6Å; I48-M81 HydrophobicContact CG2-SD 3.97Å; L70-M81 HydrophobicContact CD2-CB 3.69Å; L70-M81 HydrophobicContact CD2-CG 3.63Å; L70-M81 HydrophobicContact CD2-SD 4.45Å; M81-L83 HydrophobicContact CE-CD1 3.76Å; M81-L83 HydrophobicContact CE-CG 4Å; M81-L83 HydrophobicContact CG-CD2 4.48Å; M81-L83 HydrophobicContact CG-CG 4.34Å; M81-L83 HydrophobicContact SD-CD1 4.47Å; M81-L83 HydrophobicContact SD-CD2 4.18Å; M81-L83 HydrophobicContact SD-CG 4.25Å; M81-Y94 HydrophobicContact CE-CD1 3.57Å; M81-Y94 HydrophobicContact CE-CE1 4.12Å; M81-Y94 HydrophobicContact CE-CG 4.1Å
82	Q	98.4	Very high	96.8	Very high	74 Å²	74	48.9 Å²	48.9	35%	0.346	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	126.5	168.7	-178.2	173.5	-31.5	0	0	109.3	V18 A68 T69	V18-Q82 CarbonylContact O-C 3.55Å; V18-Q82 VanDerWaalsContact O-CA 3.28Å; V18-Q82 WeakPolarHBondContact O-CA 3.04Å; A68-Q82 CarbonylContact C-O 3.58Å; A68-Q82 WeakPolarHBondContact CA-O 3.39Å; T69-Q82 PolarHBondContact N-O 3.02Å; T69-Q82 PolarHBondContact O-N 2.98Å
83	L	98	Very high	96.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.5	169.9	-63.3	165.9	0	0	0	108.5	S17 V18 K67 A68 M81 L86 Y94	S17-L83 CarbonylContact C-O 3.52Å; S17-L83 WeakPolarHBondContact CA-O 3.46Å; S17-L83 WeakPolarHBondContact CB-O 3.47Å; V18-L83 HydrophobicContact CG1-CB 4.09Å; V18-L83 HydrophobicContact CG1-CD1 4.33Å; V18-L83 PolarHBondContact N-O 3.46Å; V18-L83 PolarHBondContact O-N 2.87Å; K67-L83 WeakPolarHBondContact O-CA 3.14Å; A68-L83 HydrophobicContact CB-CD2 3.8Å; M81-L83 HydrophobicContact CE-CD1 3.76Å; M81-L83 HydrophobicContact CE-CG 4Å; M81-L83 HydrophobicContact CG-CD2 4.48Å; M81-L83 HydrophobicContact CG-CG 4.34Å; M81-L83 HydrophobicContact SD-CD1 4.47Å; M81-L83 HydrophobicContact SD-CD2 4.18Å; M81-L83 HydrophobicContact SD-CG 4.25Å; L83-L86 HydrophobicContact CB-CD2 3.71Å; L83-L86 HydrophobicContact CB-CG 4.47Å; L83-L86 HydrophobicContact CD1-CD2 4.31Å; L83-Y94 HydrophobicContact CD1-CD1 4.2Å; L83-Y94 HydrophobicContact CD1-CE1 3.48Å; L83-Y94 VanDerWaalsContact CD1-CE1 3.48Å; L83-Y94 HydrophobicContact CD1-CE2 4.22Å; L83-Y94 VanDerWaalsContact CD1-CZ 3.49Å
84	S	97.3	Very high	96.9	Very high	30 Å²	30	49.6 Å²	49.6	21%	0.21	30%	0.302	C	S	.	.			trans	-114	156.3	-176.9	-51.5	0	0	0	0	111.8	S17 K67 L86	S17-S84 WeakPolarHBondContact OG-CA 3.14Å; K67-S84 PolarHBondContact O-N 3.15Å; S84-L86 PolarHBondContact O-N 2.98Å
85	S	96.9	Very high	97	Very high	85 Å²	85	49.7 Å²	49.7	59%	0.594	30%	0.296	S	S	*	.	S	Bend	trans	53.3	50.5	175.8	-55.8	0	0	0	0	112.9	A16	A16-S85 PolarHBondContact O-N 3.15Å
86	L	97.4	Very high	97.1	Very high	15 Å²	15	45.1 Å²	45.1	8%	0.079	26%	0.264	C	S	.	.			trans	-65	141.8	-172.7	-69.2	168.6	0	0	0	112.7	V12 P14 G15 A16 V18 L83 S84 D90	V12-L86 HydrophobicContact CG2-CD1 3.52Å; P14-L86 CarbonylContact C-O 3.53Å; P14-L86 WeakPolarHBondContact CA-O 3.34Å; G15-L86 PolarHBondContact N-O 2.99Å; A16-L86 WeakPolarHBondContact O-CB 3.33Å; A16-L86 WeakPolarHBondContact O-CG 3.4Å; A16-L86 PolarHBondContact O-N 2.86Å; V18-L86 HydrophobicContact CB-CD1 4.01Å; V18-L86 HydrophobicContact CG1-CD1 3.83Å; L83-L86 HydrophobicContact CB-CD2 3.71Å; L83-L86 HydrophobicContact CB-CG 4.47Å; L83-L86 HydrophobicContact CD1-CD2 4.31Å; S84-L86 PolarHBondContact O-N 2.98Å; L86-D90 WeakPolarHBondContact CA-OD2 3.47Å; L86-D90 HydrophobicContact CD2-CB 3.58Å
87	T	96.5	Very high	97.1	Very high	65 Å²	65	45.1 Å²	45.1	40%	0.399	27%	0.267	S	S	.	.			trans	-118.6	173.9	172.5	70	0	0	0	0	109.9	E89 D90	T87-E89 PolarHBondContact O-N 3.15Å; T87-E89 PolarHBondContact OG1-N 2.82Å; T87-D90 PolarHBondContact N-OD2 2.92Å; T87-D90 PolarHBondContact O-N 3.47Å; T87-D90 VanDerWaalsContact O-N 3.11Å; T87-D90 PolarHBondContact OG1-OD2 3.46Å
88	S	95	Very high	96.8	Very high	99 Å²	99	49.7 Å²	49.7	69%	0.692	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-56.8	-30.3	174.9	50.6	0	0	0	0	112.6	D90 S91	S88-D90 PolarHBondContact O-N 2.84Å; S88-S91 VanDerWaalsContact O-CB 3.31Å; S88-S91 WeakPolarHBondContact O-CB 3.4Å; S88-S91 PolarHBondContact O-N 3.1Å; S88-S91 VanDerWaalsContact O-N 3.15Å; S88-S91 PolarHBondContact O-OG 2.85Å
89	E	94	Very high	96.8	Very high	130 Å²	130	51.7 Å²	51.7	61%	0.607	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-67.1	-17.1	179.2	-60.5	-171.5	166.2	0	0	114.4	R40 T87 S91	R40-E89 VanDerWaalsContact CD-O 3.3Å; R40-E89 WeakPolarHBondContact CD-O 2.95Å; R40-E89 PolarHBondContact NH1-O 3.24Å; T87-E89 PolarHBondContact O-N 3.15Å; T87-E89 PolarHBondContact OG1-N 2.82Å; E89-S91 VanDerWaalsContact C-N 3.33Å
90	D	96.2	Very high	96.7	Very high	9 Å²	9	54.4 Å²	54.4	5%	0.048	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-88.2	-1.9	176.6	-55.6	-54.8	0	0	0	113.1	R38 K67 L86 T87 S88 A92 Y94	R38-D90 IonicContact NH1-OD1 3.21Å; R38-D90 PolarHBondContact NH1-OD1 2.66Å; K67-D90 VanDerWaalsContact CE-CG 3.44Å; K67-D90 VanDerWaalsContact CE-OD1 3.24Å; K67-D90 WeakPolarHBondContact CE-OD1 3.46Å; K67-D90 WeakPolarHBondContact CE-OD2 3.48Å; K67-D90 IonicContact NZ-OD1 2.71Å; K67-D90 PolarHBondContact NZ-OD1 3.06Å; K67-D90 IonicContact NZ-OD2 2.57Å; K67-D90 PolarHBondContact NZ-OD2 3.45Å; L86-D90 WeakPolarHBondContact CA-OD2 3.47Å; L86-D90 HydrophobicContact CD2-CB 3.58Å; T87-D90 PolarHBondContact N-OD2 2.92Å; T87-D90 PolarHBondContact O-N 3.47Å; T87-D90 VanDerWaalsContact O-N 3.11Å; T87-D90 PolarHBondContact OG1-OD2 3.46Å; S88-D90 PolarHBondContact O-N 2.84Å; D90-A92 PolarHBondContact O-N 3.36Å; D90-Y94 WeakPolarHBondContact O-CE2 3.13Å; D90-Y94 PolarHBondContact O-OH 3.41Å
91	S	96.7	Very high	96.6	Very high	82 Å²	82	54.4 Å²	54.4	57%	0.573	31%	0.31	S	S	*	.			trans	-66.6	108.9	174.6	-54.2	0	0	0	0	109.2	S88 E89	S88-S91 VanDerWaalsContact O-CB 3.31Å; S88-S91 WeakPolarHBondContact O-CB 3.4Å; S88-S91 PolarHBondContact O-N 3.1Å; S88-S91 VanDerWaalsContact O-N 3.15Å; S88-S91 PolarHBondContact O-OG 2.85Å; E89-S91 VanDerWaalsContact C-N 3.33Å
92	A	97.4	Very high	96.5	Very high	27 Å²	27	57.6 Å²	57.6	22%	0.223	33%	0.328	C	S	.	.	S	Bend	trans	-158.1	165.1	-173.1	0	0	0	0	0	110.5	R38 Q39 R40 D90 Y94	R38-A92 HydrophobicContact CB-CB 4.03Å; Q39-A92 WeakPolarHBondContact O-CA 3.21Å; Q39-A92 WeakPolarHBondContact O-CB 3.26Å; R40-A92 HydrophobicContact CG-CB 3.95Å; D90-A92 PolarHBondContact O-N 3.36Å; A92-Y94 HydrophobicContact CB-CD2 4.31Å; A92-Y94 HydrophobicContact CB-CE2 3.78Å; A92-Y94 WeakPolarHBondContact O-CD2 3.45Å
93	V	97.5	Very high	96.4	Very high	79 Å²	79	56.6 Å²	56.6	48%	0.479	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	132.6	158.2	-173	0	0	0	0	107.7	R38 Q39 F95	R38-V93 CarbonylContact C-O 3.57Å; R38-V93 WeakPolarHBondContact CA-O 3.23Å; Q39-V93 PolarHBondContact N-O 3.21Å; Q39-V93 PolarHBondContact O-N 3.5Å; V93-F95 HydrophobicContact CB-CE2 3.93Å; V93-F95 HydrophobicContact CB-CZ 3.95Å; V93-F95 HydrophobicContact CG1-CD1 4.34Å; V93-F95 HydrophobicContact CG1-CD2 4.3Å; V93-F95 HydrophobicContact CG1-CE1 3.66Å; V93-F95 HydrophobicContact CG1-CE2 3.62Å; V93-F95 HydrophobicContact CG1-CZ 3.27Å
94	Y	98	Very high	96.3	Very high	30 Å²	30	60.3 Å²	60.3	12%	0.118	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.1	178	-69.9	-88.3	0	0	0	109.4	Q6 I20 V37 R38 I48 M81 L83 D90 A92	Q6-Y94 PolarHBondContact NE2-O 3.4Å; I20-Y94 HydrophobicContact CD1-CD1 4.47Å; I20-Y94 HydrophobicContact CD1-CD2 4Å; I20-Y94 HydrophobicContact CD1-CG 3.78Å; V37-Y94 WeakPolarHBondContact O-CA 3.12Å; R38-Y94 HydrophobicContact CB-CD1 3.73Å; R38-Y94 HydrophobicContact CB-CE1 3.59Å; R38-Y94 HydrophobicContact CG-CE1 4.49Å; I48-Y94 HydrophobicContact CD1-CD1 3.62Å; I48-Y94 HydrophobicContact CD1-CE1 3.69Å; M81-Y94 HydrophobicContact CE-CD1 3.57Å; M81-Y94 HydrophobicContact CE-CE1 4.12Å; M81-Y94 HydrophobicContact CE-CG 4.1Å; L83-Y94 HydrophobicContact CD1-CD1 4.2Å; L83-Y94 HydrophobicContact CD1-CE1 3.48Å; L83-Y94 VanDerWaalsContact CD1-CE1 3.48Å; L83-Y94 HydrophobicContact CD1-CE2 4.22Å; L83-Y94 VanDerWaalsContact CD1-CZ 3.49Å; D90-Y94 WeakPolarHBondContact O-CE2 3.13Å; D90-Y94 PolarHBondContact O-OH 3.41Å; A92-Y94 HydrophobicContact CB-CD2 4.31Å; A92-Y94 HydrophobicContact CB-CE2 3.78Å; A92-Y94 WeakPolarHBondContact O-CD2 3.45Å
95	F	97.8	Very high	96.2	Very high	77 Å²	77	62.5 Å²	62.5	34%	0.338	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.1	-179.2	-58.3	-79	0	0	0	109.9	W36 V37 Q39 V93	W36-F95 WeakPolarHBondContact CA-O 3.47Å; V37-F95 PolarHBondContact N-O 2.97Å; V37-F95 PolarHBondContact O-N 3.25Å; Q39-F95 HydrophobicContact CB-CE2 3.86Å; V93-F95 HydrophobicContact CB-CE2 3.93Å; V93-F95 HydrophobicContact CB-CZ 3.95Å; V93-F95 HydrophobicContact CG1-CD1 4.34Å; V93-F95 HydrophobicContact CG1-CD2 4.3Å; V93-F95 HydrophobicContact CG1-CE1 3.66Å; V93-F95 HydrophobicContact CG1-CE2 3.62Å; V93-F95 HydrophobicContact CG1-CZ 3.27Å
96	C	97.5	Very high	96.2	Very high	10 Å²	10	60.8 Å²	60.8	7%	0.068	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	145.1	156.5	67.1	0	0	0	0	109.6	Q6 C22 M34 Q35 W36	Q6-C96 VanDerWaalsContact CD-SG 3.59Å; Q6-C96 HydrophobicContact CG-CB 4.37Å; Q6-C96 WeakPolarHBondContact CG-SG 3.1Å; Q6-C96 PolarHBondContact OE1-SG 3.06Å; C22-C96 HydrophobicContact CB-CB 3.43Å; C22-C96 VanDerWaalsContact CB-CB 3.43Å; C22-C96 WeakPolarHBondContact CB-SG 3.06Å; C22-C96 WeakPolarHBondContact SG-CB 3.22Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 2.93Å; M34-C96 HydrophobicContact CG-CB 4.43Å; M34-C96 HydrophobicContact SD-CB 3.75Å; Q35-C96 CarbonylContact O-C 3.57Å; Q35-C96 VanDerWaalsContact O-CA 3.23Å; Q35-C96 WeakPolarHBondContact O-CA 3.44Å; W36-C96 HydrophobicContact CD2-CB 4.39Å; W36-C96 HydrophobicContact CE3-CB 4.12Å; W36-C96 HydrophobicContact CH2-CB 4.16Å; W36-C96 HydrophobicContact CZ2-CB 4.4Å; W36-C96 HydrophobicContact CZ3-CB 4Å
97	A	96	Very high	96.1	Very high	39 Å²	39	64.6 Å²	64.6	32%	0.322	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	155.2	178.6	0	0	0	0	0	111.7	M34 Q35	M34-A97 VanDerWaalsContact SD-O 3.37Å; Q35-A97 HydrophobicContact CB-CB 4.17Å; Q35-A97 PolarHBondContact N-O 3.39Å; Q35-A97 PolarHBondContact O-N 3.47Å
98	R	90	Very high	96	Very high	128 Å²	128	64.5 Å²	64.5	48%	0.483	36%	0.359	S	S	.	.			trans	-140	0	170.9	169.3	172.8	168.9	-119.8	8.2	109.1	L4 Y27 H32	L4-R98 HydrophobicContact CD1-CB 4.4Å; Y27-R98 VanDerWaalsContact CE1-NH1 3.29Å; Y27-R98 VanDerWaalsContact CE2-NH1 3.35Å; Y27-R98 WeakPolarHBondContact OH-CD 3.35Å; H32-R98 HydrophobicContact CB-CG 4.13Å; H32-R98 PolarHBondContact CD2-NE 2.57Å; H32-R98 PolarHBondContact CD2-NH2 2.92Å; H32-R98 PolarHBondContact CE1-NH2 2.83Å; H32-R98 PolarHBondContact ND1-NE 2.82Å; H32-R98 PolarHBondContact ND1-NH2 2.62Å; H32-R98 PolarHBondContact NE2-NH2 3.23Å

Retrieved 98 of 98 residues in 70.6 ms (Link to these results)

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