A0A075B5V7_MOUSE Loading...

Immunoglobulin heavy variable V1-43

AlphaFold DB , UniProt , Accession A0A075B5V7, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-43, Length 98 aa.

						>A0A075B5V7_MOUSE|A0A075B5V7|Ighv1-43
EVKLQQSGPELVKPGASVKISCKASGYSFTGYYMHWVKQSSEKSLEWIGEINPSTGGTSYNQKFKGKATLTVDKSSSTAYMQLKSLTSEDSAVYYCAR
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	E	87.5	Confident	95.8	Very high	192 Å²	192	103.5 Å²	103.5	90%	0.897	56%	0.557	S	S	*	*				0	141.5	0	-172.7	-175.9	-162.5	0	0	109	G26	E1-G26 WeakPolarHBondContact O-CA 3.5Å
2	V	93.3	Very high	95.7	Very high	59 Å²	59	100.4 Å²	100.4	36%	0.358	54%	0.544	S	S	.	.			trans	-85.4	134	-177.9	175.6	0	0	0	0	109.2	Y27 R98	V2-Y27 HydrophobicContact CG1-CD1 3.77Å; V2-Y27 HydrophobicContact CG1-CE1 4.07Å; V2-R98 VanDerWaalsContact CG1-NH1 3.29Å
3	K	97	Very high	95.7	Very high	122 Å²	122	106 Å²	106	53%	0.53	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.2	132.2	179.1	-61.2	-175.3	-179.7	-174	0	111.3	S25	K3-S25 PolarHBondContact N-O 3.32Å; K3-S25 PolarHBondContact O-N 3.21Å
4	L	98	Very high	95.6	Very high	55 Å²	55	106.6 Å²	106.6	29%	0.288	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.2	117	171.8	-61.1	-176.4	0	0	0	108.5	K23 A24 Y27 M34 R98	L4-K23 WeakPolarHBondContact CA-O 3.48Å; L4-A24 HydrophobicContact CD2-CB 3.9Å; L4-Y27 HydrophobicContact CD2-CE1 4.09Å; L4-M34 HydrophobicContact CD1-SD 4.45Å; L4-M34 HydrophobicContact CD2-CE 3.84Å; L4-R98 HydrophobicContact CD1-CB 4.42Å
5	Q	98.3	Very high	95.7	Very high	139 Å²	139	103 Å²	103	65%	0.65	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.3	112.5	179.8	-175.2	178.8	18.2	0	0	109.7	C22 K23	Q5-C22 WeakPolarHBondContact O-CA 3.16Å; Q5-K23 HydrophobicContact CB-CB 4.46Å; Q5-K23 PolarHBondContact N-O 2.81Å; Q5-K23 PolarHBondContact O-N 3.48Å
6	Q	98.5	Very high	95.8	Very high	61 Å²	61	98.8 Å²	98.8	29%	0.285	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.2	154.5	178.9	-70.7	-174.3	-124.5	0	0	112.7	S21 C22 Y94 C96	Q6-S21 CarbonylContact C-O 3.59Å; Q6-S21 VanDerWaalsContact CA-O 3.22Å; Q6-S21 WeakPolarHBondContact CA-O 3.43Å; Q6-C22 HydrophobicContact CG-CB 4.29Å; Q6-Y94 PolarHBondContact NE2-O 3.48Å; Q6-C96 WeakPolarHBondContact CG-SG 3.34Å
7	S	97.8	Very high	95.9	Very high	35 Å²	35	96.4 Å²	96.4	25%	0.245	55%	0.545	C	S	.	.			trans	-60	154.6	164.9	55.6	0	0	0	0	111.2	I20 S21	S7-I20 WeakPolarHBondContact OG-CA 3.23Å; S7-I20 WeakPolarHBondContact OG-CG2 3.41Å; S7-S21 WeakPolarHBondContact CB-OG 3.46Å; S7-S21 PolarHBondContact N-O 2.67Å; S7-S21 PolarHBondContact OG-N 3.2Å; S7-S21 VanDerWaalsContact OG-N 3.09Å
8	G	96.3	Very high	96.1	Very high	53 Å²	53	91.9 Å²	91.9	55%	0.546	52%	0.52	S	S	.	.			trans	-68.7	176	179.4	0	0	0	0	0	113.7
9	P	96.2	Very high	96.2	Very high	138 Å²	138	92.5 Å²	92.5	90%	0.896	52%	0.517	S	S	*	.			trans	-65	144.2	175.8	29.1	-35	0	0	0	111.1
10	E	95.6	Very high	96.3	Very high	100 Å²	100	88.8 Å²	88.8	47%	0.467	50%	0.495	S	S	.	.			trans	-126.2	130.3	177.8	-68.9	-173.6	-132.9	0	0	110.5	V12 V18	E10-V12 HydrophobicContact CB-CG1 4.38Å; E10-V18 HydrophobicContact CB-CG2 3.94Å; E10-V18 HydrophobicContact CG-CG2 4.27Å; E10-V18 WeakPolarHBondContact OE2-CG2 3.4Å
11	L	95.6	Very high	96.4	Very high	184 Å²	184	86.1 Å²	86.1	96%	0.963	48%	0.483	S	S	*	.			trans	-98.6	116.6	170.9	-68.6	175	0	0	0	108.7
12	V	94.5	Very high	96.9	Very high	67 Å²	67	77 Å²	77	41%	0.406	44%	0.44	S	S	.	.			trans	-131.6	155.3	-175	-64.4	0	0	0	0	110.7	E10 A16 L86	E10-V12 HydrophobicContact CB-CG1 4.38Å; V12-A16 HydrophobicContact CB-CB 4.31Å; V12-L86 HydrophobicContact CB-CD1 4.43Å; V12-L86 HydrophobicContact CG2-CD1 3.32Å
13	K	95	Very high	97.2	Very high	173 Å²	173	79.3 Å²	79.3	75%	0.752	45%	0.445	S	S	*	.			trans	-76.6	152.2	179.6	-63.6	-179.2	-178.3	179.4	0	111	A16	K13-A16 WeakPolarHBondContact O-CB 2.96Å; K13-A16 PolarHBondContact O-N 2.76Å; K13-A16 VanDerWaalsContact O-N 3.11Å
14	P	95.3	Very high	97.2	Very high	114 Å²	114	73.7 Å²	73.7	74%	0.74	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	143.1	167.3	-25.4	35	0	0	0	111.7	A16 L86	P14-A16 PolarHBondContact O-N 3.29Å; P14-L86 CarbonylContact C-O 3.57Å; P14-L86 WeakPolarHBondContact CA-O 3.42Å
15	G	96.8	Very high	97.2	Very high	53 Å²	53	73.9 Å²	73.9	55%	0.546	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	-16.3	-174.9	0	0	0	0	0	114.9	L86	G15-L86 PolarHBondContact N-O 2.92Å
16	A	97.7	Very high	97.1	Very high	35 Å²	35	70 Å²	70	29%	0.289	43%	0.425	S	S	.	.			trans	-68.9	176.5	177.2	0	0	0	0	0	112.2	V12 K13 P14 S85 L86	V12-A16 HydrophobicContact CB-CB 4.31Å; K13-A16 WeakPolarHBondContact O-CB 2.96Å; K13-A16 PolarHBondContact O-N 2.76Å; K13-A16 VanDerWaalsContact O-N 3.11Å; P14-A16 PolarHBondContact O-N 3.29Å; A16-S85 PolarHBondContact O-N 2.94Å; A16-L86 VanDerWaalsContact O-CG 3.32Å; A16-L86 WeakPolarHBondContact O-CG 3.37Å; A16-L86 PolarHBondContact O-N 2.69Å
17	S	97.6	Very high	97	Very high	59 Å²	59	69.1 Å²	69.1	41%	0.413	42%	0.419	S	S	.	.			trans	-119.2	152	169.6	-55.8	0	0	0	0	110	L83 K84	S17-L83 CarbonylContact C-O 3.51Å; S17-L83 WeakPolarHBondContact CA-O 3.49Å; S17-L83 VanDerWaalsContact CB-O 3.31Å; S17-L83 WeakPolarHBondContact CB-O 3.43Å; S17-K84 WeakPolarHBondContact OG-CA 2.93Å; S17-K84 WeakPolarHBondContact OG-CB 3.28Å
18	V	97.9	Very high	96.9	Very high	15 Å²	15	70.8 Å²	70.8	9%	0.091	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.2	175.9	66.4	0	0	0	0	109.4	E10 I20 Q82 L83 L86	E10-V18 HydrophobicContact CB-CG2 3.94Å; E10-V18 HydrophobicContact CG-CG2 4.27Å; E10-V18 WeakPolarHBondContact OE2-CG2 3.4Å; V18-I20 HydrophobicContact CG2-CG1 4.49Å; V18-Q82 CarbonylContact O-C 3.53Å; V18-Q82 VanDerWaalsContact O-CA 3.27Å; V18-Q82 WeakPolarHBondContact O-CA 3.48Å; V18-L83 HydrophobicContact CG1-CB 3.99Å; V18-L83 HydrophobicContact CG1-CD1 4.38Å; V18-L83 PolarHBondContact N-O 2.89Å; V18-L83 PolarHBondContact O-N 3.42Å; V18-L86 HydrophobicContact CB-CD1 4.05Å; V18-L86 HydrophobicContact CG1-CD1 3.85Å; V18-L86 HydrophobicContact CG1-CD2 4.34Å
19	K	98.2	Very high	96.8	Very high	104 Å²	104	68.7 Å²	68.7	45%	0.452	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	108.2	178.3	-174.7	179.8	-179.7	-178	0	110.5	Y80	K19-Y80 HydrophobicContact CD-CD1 4.41Å; K19-Y80 VanDerWaalsContact CE-CD1 3.42Å; K19-Y80 HydrophobicContact CG-CD1 4.4Å
20	I	98.5	Very high	96.9	Very high	17 Å²	17	65.1 Å²	65.1	9%	0.087	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	133.3	-179.7	-49.9	-176	0	0	0	108.7	S7 V18 W36 Y80 M81 Y94	S7-I20 WeakPolarHBondContact OG-CA 3.23Å; S7-I20 WeakPolarHBondContact OG-CG2 3.41Å; V18-I20 HydrophobicContact CG2-CG1 4.49Å; I20-W36 HydrophobicContact CB-CH2 4.28Å; I20-W36 HydrophobicContact CB-CZ3 4.14Å; I20-W36 HydrophobicContact CG2-CH2 3.96Å; I20-W36 HydrophobicContact CG2-CZ3 3.68Å; I20-Y80 CarbonylContact O-C 3.55Å; I20-Y80 WeakPolarHBondContact O-CA 3.22Å; I20-M81 HydrophobicContact CD1-CE 3.72Å; I20-M81 HydrophobicContact CG1-CE 4.45Å; I20-M81 PolarHBondContact N-O 3.22Å; I20-M81 PolarHBondContact O-N 2.85Å; I20-Y94 HydrophobicContact CD1-CD2 3.79Å; I20-Y94 HydrophobicContact CD1-CG 3.72Å
21	S	98.6	Very high	96.9	Very high	33 Å²	33	62.9 Å²	62.9	23%	0.231	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	153.1	174.1	70.6	0	0	0	0	111.4	Q6 S7 A79 Y80	Q6-S21 CarbonylContact C-O 3.59Å; Q6-S21 VanDerWaalsContact CA-O 3.22Å; Q6-S21 WeakPolarHBondContact CA-O 3.43Å; S7-S21 WeakPolarHBondContact CB-OG 3.46Å; S7-S21 PolarHBondContact N-O 2.67Å; S7-S21 PolarHBondContact OG-N 3.2Å; S7-S21 VanDerWaalsContact OG-N 3.09Å; S21-A79 CarbonylContact C-O 3.45Å; S21-Y80 VanDerWaalsContact CB-CE1 3.45Å
22	C	98.7	Very high	96.9	Very high	0 Å²	0	60 Å²	60	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	103	173.5	177.5	0	0	0	0	109.5	Q5 Q6 W36 T78 A79 C96	Q5-C22 WeakPolarHBondContact O-CA 3.16Å; Q6-C22 HydrophobicContact CG-CB 4.29Å; C22-W36 HydrophobicContact CB-CH2 3.62Å; C22-W36 HydrophobicContact CB-CZ2 3.87Å; C22-W36 HydrophobicContact CB-CZ3 4.49Å; C22-T78 WeakPolarHBondContact O-CA 3.37Å; C22-A79 PolarHBondContact N-O 3.46Å; C22-A79 PolarHBondContact O-N 3.22Å; C22-C96 HydrophobicContact CB-CB 3.43Å; C22-C96 VanDerWaalsContact CB-CB 3.43Å; C22-C96 WeakPolarHBondContact CB-SG 3.48Å; C22-C96 WeakPolarHBondContact SG-CB 3.41Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 2.63Å
23	K	98.5	Very high	97.1	Very high	108 Å²	108	61.7 Å²	61.7	47%	0.47	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	123.7	178.4	-174.2	175.5	-177	177.9	0	110.2	L4 Q5 T78	L4-K23 WeakPolarHBondContact CA-O 3.48Å; Q5-K23 HydrophobicContact CB-CB 4.46Å; Q5-K23 PolarHBondContact N-O 2.81Å; Q5-K23 PolarHBondContact O-N 3.48Å; K23-T78 HydrophobicContact CB-CG2 4.43Å
24	A	98.2	Very high	97.3	Very high	5 Å²	5	53.5 Å²	53.5	4%	0.041	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	138.8	179.8	0	0	0	0	0	111.5	L4 Y27 F29 M34 S77	L4-A24 HydrophobicContact CD2-CB 3.9Å; A24-Y27 HydrophobicContact CB-CE1 3.59Å; A24-Y27 WeakPolarHBondContact CB-OH 3.32Å; A24-F29 HydrophobicContact CB-CB 4.38Å; A24-F29 HydrophobicContact CB-CD2 3.38Å; A24-F29 HydrophobicContact CB-CE2 3.9Å; A24-F29 HydrophobicContact CB-CG 4.13Å; A24-M34 HydrophobicContact CB-CE 4.35Å; A24-S77 PolarHBondContact N-O 3.23Å
25	S	97.6	Very high	97.4	Very high	59 Å²	59	50.5 Å²	50.5	41%	0.413	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	160	171.3	59.1	0	0	0	0	111.7	K3	K3-S25 PolarHBondContact N-O 3.32Å; K3-S25 PolarHBondContact O-N 3.21Å
26	G	96.3	Very high	97.5	Very high	57 Å²	57	48 Å²	48	59%	0.588	28%	0.278	S	S	*	.	S	Bend	trans	80.5	13.8	178.9	0	0	0	0	0	115.4	E1	E1-G26 WeakPolarHBondContact O-CA 3.5Å
27	Y	94.9	Very high	97.6	Very high	42 Å²	42	47.7 Å²	47.7	17%	0.165	27%	0.272	C	S	.	.	S	Bend	trans	-157.9	172.4	171	72.8	-77.4	0	0	0	111.4	V2 L4 A24 F29 Y32 M34 R98	V2-Y27 HydrophobicContact CG1-CD1 3.77Å; V2-Y27 HydrophobicContact CG1-CE1 4.07Å; L4-Y27 HydrophobicContact CD2-CE1 4.09Å; A24-Y27 HydrophobicContact CB-CE1 3.59Å; A24-Y27 WeakPolarHBondContact CB-OH 3.32Å; Y27-F29 PolarHBondContact O-N 2.96Å; Y27-F29 VanDerWaalsContact O-N 3.09Å; Y27-Y32 AromaticContact CD2-CD2 3.69Å; Y27-Y32 HydrophobicContact CD2-CD2 3.69Å; Y27-Y32 HydrophobicContact CD2-CE2 4.25Å; Y27-Y32 HydrophobicContact CD2-CG 4.42Å; Y27-Y32 HydrophobicContact CE2-CD2 4.04Å; Y27-Y32 HydrophobicContact CE2-CG 4.42Å; Y27-M34 WeakPolarHBondContact OH-CE 3.38Å; Y27-R98 VanDerWaalsContact CB-NH1 3.34Å; Y27-R98 HydrophobicContact CD2-CG 4.42Å; Y27-R98 HydrophobicContact CE2-CG 3.7Å
28	S	95.7	Very high	97.6	Very high	71 Å²	71	45.5 Å²	45.5	50%	0.497	26%	0.255	S	S	.	.			trans	-72.8	96.3	172.8	-176.6	0	0	0	0	110.7	T30 G31 Y32	S28-T30 PolarHBondContact O-N 3.27Å; S28-G31 PolarHBondContact O-N 2.78Å; S28-Y32 WeakPolarHBondContact O-CD2 3.34Å
29	F	96.1	Very high	97.6	Very high	8 Å²	8	47.2 Å²	47.2	4%	0.035	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-55	-38.4	-177.8	176.3	-121	0	0	0	113.1	A24 Y27 G31 M34 P53 V72 S77 A79	A24-F29 HydrophobicContact CB-CB 4.38Å; A24-F29 HydrophobicContact CB-CD2 3.38Å; A24-F29 HydrophobicContact CB-CE2 3.9Å; A24-F29 HydrophobicContact CB-CG 4.13Å; Y27-F29 PolarHBondContact O-N 2.96Å; Y27-F29 VanDerWaalsContact O-N 3.09Å; F29-G31 VanDerWaalsContact C-N 3.29Å; F29-G31 PolarHBondContact O-N 2.94Å; F29-M34 HydrophobicContact CD2-CE 4.44Å; F29-M34 HydrophobicContact CE2-CE 3.89Å; F29-P53 HydrophobicContact CD1-CB 3.99Å; F29-P53 HydrophobicContact CD2-CB 4.43Å; F29-P53 HydrophobicContact CD2-CG 4.32Å; F29-P53 HydrophobicContact CE1-CB 3.74Å; F29-P53 HydrophobicContact CE1-CG 4.4Å; F29-P53 HydrophobicContact CE2-CB 4.19Å; F29-P53 HydrophobicContact CE2-CG 3.96Å; F29-P53 HydrophobicContact CG-CB 4.36Å; F29-P53 HydrophobicContact CZ-CB 3.84Å; F29-P53 HydrophobicContact CZ-CG 4.02Å; F29-P53 WeakPolarHBondContact O-CB 3.42Å; F29-P53 WeakPolarHBondContact O-CG 3.46Å; F29-V72 HydrophobicContact CE1-CG2 3.3Å; F29-V72 HydrophobicContact CZ-CG2 3.38Å; F29-S77 VanDerWaalsContact CD1-CA 3.49Å; F29-A79 HydrophobicContact CE2-CB 4.43Å; F29-A79 HydrophobicContact CZ-CB 4.21Å
30	T	96.9	Very high	97.3	Very high	63 Å²	63	43.6 Å²	43.6	39%	0.387	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-75.7	-13.1	178.7	53.9	0	0	0	0	114.2	S28 S54	S28-T30 PolarHBondContact O-N 3.27Å; T30-S54 WeakPolarHBondContact O-CB 3.27Å
31	G	95.9	Very high	96.9	Very high	53 Å²	53	48.3 Å²	48.3	55%	0.546	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-87.6	-7.1	-178.2	0	0	0	0	0	115.4	S28 F29	S28-G31 PolarHBondContact O-N 2.78Å; F29-G31 VanDerWaalsContact C-N 3.29Å; F29-G31 PolarHBondContact O-N 2.94Å
32	Y	96.6	Very high	96.6	Very high	123 Å²	123	54.7 Å²	54.7	48%	0.482	31%	0.311	S	S	.	.	S	Bend	trans	-137.2	145.9	-175	-64.4	-93.9	0	0	0	110.9	Y27 S28 P53 R98	Y27-Y32 AromaticContact CD2-CD2 3.69Å; Y27-Y32 HydrophobicContact CD2-CD2 3.69Å; Y27-Y32 HydrophobicContact CD2-CE2 4.25Å; Y27-Y32 HydrophobicContact CD2-CG 4.42Å; Y27-Y32 HydrophobicContact CE2-CD2 4.04Å; Y27-Y32 HydrophobicContact CE2-CG 4.42Å; S28-Y32 WeakPolarHBondContact O-CD2 3.34Å; Y32-P53 WeakPolarHBondContact O-CD 2.69Å; Y32-P53 VanDerWaalsContact O-CG 3.28Å; Y32-P53 WeakPolarHBondContact O-CG 3.09Å; Y32-R98 HydrophobicContact CD1-CG 4.43Å; Y32-R98 HydrophobicContact CG-CG 4.04Å
33	Y	98	Very high	96	Very high	104 Å²	104	62.7 Å²	62.7	41%	0.408	35%	0.345	S	S	.	.			trans	-64.4	148.1	170.9	-74	-94.8	0	0	0	110.6	E50 N52	Y33-E50 HydrophobicContact CD1-CB 4.46Å; Y33-E50 HydrophobicContact CD1-CG 4.02Å; Y33-N52 HydrophobicContact CD1-CB 3.88Å; Y33-N52 HydrophobicContact CE1-CB 3.41Å; Y33-N52 VanDerWaalsContact CE1-CB 3.41Å; Y33-N52 VanDerWaalsContact CZ-ND2 3.33Å; Y33-N52 PolarHBondContact OH-ND2 2.7Å; Y33-N52 VanDerWaalsContact OH-ND2 3.1Å
34	M	98.4	Very high	95.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116.9	167.2	-176.9	65.7	66.8	0	0	108.4	L4 A24 Y27 F29 E50 I51 A79 C96	L4-M34 HydrophobicContact CD1-SD 4.45Å; L4-M34 HydrophobicContact CD2-CE 3.84Å; A24-M34 HydrophobicContact CB-CE 4.35Å; Y27-M34 WeakPolarHBondContact OH-CE 3.38Å; F29-M34 HydrophobicContact CD2-CE 4.44Å; F29-M34 HydrophobicContact CE2-CE 3.89Å; M34-E50 CarbonylContact O-C 3.49Å; M34-E50 WeakPolarHBondContact O-CA 3.49Å; M34-I51 HydrophobicContact CB-CG2 3.97Å; M34-I51 PolarHBondContact N-O 3Å; M34-I51 PolarHBondContact O-N 3.13Å; M34-A79 HydrophobicContact CB-CB 4.15Å; M34-A79 HydrophobicContact CE-CB 4.48Å; M34-A79 HydrophobicContact CG-CB 3.66Å; M34-C96 HydrophobicContact CG-CB 4.49Å; M34-C96 HydrophobicContact SD-CB 3.76Å
35	H	98.7	Very high	95.7	Very high	52 Å²	52	66 Å²	66	24%	0.241	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	149.7	176.8	-56.8	-96.1	0	0	0	110.4	W47 G49 E50 C96 A97	H35-W47 AromaticContact ND1-NE1 3.49Å; H35-W47 PolarHBondContact ND1-NE1 3.23Å; H35-G49 WeakPolarHBondContact CA-O 3.33Å; H35-E50 IonicContact CE1-OE2 2.67Å; H35-E50 PolarHBondContact CE1-OE2 2.95Å; H35-E50 IonicContact ND1-OE2 2.61Å; H35-E50 PolarHBondContact ND1-OE2 3.03Å; H35-E50 VanDerWaalsContact ND1-OE2 3.09Å; H35-C96 CarbonylContact O-C 3.55Å; H35-C96 VanDerWaalsContact O-CA 3.3Å; H35-C96 WeakPolarHBondContact O-CA 3.36Å; H35-A97 HydrophobicContact CB-CB 4.49Å; H35-A97 PolarHBondContact N-O 3.4Å; H35-A97 PolarHBondContact O-N 2.61Å
36	W	98.8	Very high	95.7	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	136	172.4	-69	89.9	0	0	0	110.1	I20 C22 I48 G49 L70 A79 M81 Y95 C96	I20-W36 HydrophobicContact CB-CH2 4.28Å; I20-W36 HydrophobicContact CB-CZ3 4.14Å; I20-W36 HydrophobicContact CG2-CH2 3.96Å; I20-W36 HydrophobicContact CG2-CZ3 3.68Å; C22-W36 HydrophobicContact CB-CH2 3.62Å; C22-W36 HydrophobicContact CB-CZ2 3.87Å; C22-W36 HydrophobicContact CB-CZ3 4.49Å; W36-I48 HydrophobicContact CB-CB 4.13Å; W36-I48 HydrophobicContact CB-CD1 4.31Å; W36-I48 WeakPolarHBondContact O-CB 3.4Å; W36-I48 PolarHBondContact O-N 2.92Å; W36-G49 PolarHBondContact N-O 3.23Å; W36-L70 VanDerWaalsContact CD1-CD2 3.45Å; W36-L70 HydrophobicContact CG-CD2 3.99Å; W36-A79 HydrophobicContact CZ2-CB 4.27Å; W36-M81 HydrophobicContact CB-SD 3.89Å; W36-M81 HydrophobicContact CD2-CB 3.66Å; W36-M81 HydrophobicContact CD2-CE 4.45Å; W36-M81 HydrophobicContact CD2-CG 4.46Å; W36-M81 HydrophobicContact CD2-SD 4.13Å; W36-M81 HydrophobicContact CE3-CB 3.91Å; W36-M81 HydrophobicContact CE3-CE 3.89Å; W36-M81 HydrophobicContact CE3-SD 4.16Å; W36-M81 HydrophobicContact CG-CB 4.14Å; W36-M81 HydrophobicContact CG-SD 4.04Å; W36-M81 HydrophobicContact CH2-CB 4.15Å; W36-M81 HydrophobicContact CZ2-CB 3.93Å; W36-M81 HydrophobicContact CZ3-CB 4.15Å; W36-M81 HydrophobicContact CZ3-CE 4.39Å; W36-Y95 CarbonylContact C-O 3.57Å; W36-Y95 WeakPolarHBondContact CA-O 3.49Å; W36-C96 HydrophobicContact CD2-CB 4.24Å; W36-C96 HydrophobicContact CE3-CB 3.99Å; W36-C96 HydrophobicContact CH2-CB 4Å; W36-C96 HydrophobicContact CZ2-CB 4.21Å; W36-C96 HydrophobicContact CZ3-CB 3.87Å
37	V	98.6	Very high	95.8	Very high	28 Å²	28	66.9 Å²	66.9	17%	0.17	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	135.8	-175.4	-176.4	0	0	0	0	109.2	L45 E46 Y94 Y95	V37-L45 HydrophobicContact CG1-CB 4.13Å; V37-L45 HydrophobicContact CG1-CD2 4.04Å; V37-E46 WeakPolarHBondContact CA-O 3.48Å; V37-Y94 CarbonylContact O-C 3.6Å; V37-Y94 WeakPolarHBondContact O-CA 3.41Å; V37-Y95 PolarHBondContact N-O 3.28Å; V37-Y95 PolarHBondContact O-N 3.49Å
38	K	98.1	Very high	96	Very high	14 Å²	14	64.9 Å²	64.9	6%	0.061	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.1	170.3	-176.9	-178.7	178.8	-178.3	0	108.8	L45 E46 I48 F64 E89 D90 A92 Y94	K38-L45 WeakPolarHBondContact O-CA 3.11Å; K38-E46 HydrophobicContact CB-CB 4.48Å; K38-E46 PolarHBondContact N-O 3.05Å; K38-E46 PolarHBondContact O-N 3.37Å; K38-I48 HydrophobicContact CB-CD1 3.97Å; K38-I48 HydrophobicContact CB-CG1 4.11Å; K38-F64 HydrophobicContact CB-CZ 4.16Å; K38-F64 HydrophobicContact CD-CE1 3.99Å; K38-F64 HydrophobicContact CD-CZ 3.75Å; K38-E89 WeakPolarHBondContact CE-O 3.22Å; K38-E89 PolarHBondContact NZ-O 3.09Å; K38-D90 IonicContact NZ-OD1 3.93Å; K38-A92 HydrophobicContact CD-CB 4.1Å; K38-A92 VanDerWaalsContact CE-CB 3.44Å; K38-A92 HydrophobicContact CG-CB 3.55Å; K38-Y94 HydrophobicContact CB-CD1 4.13Å; K38-Y94 HydrophobicContact CB-CE1 3.89Å; K38-Y94 HydrophobicContact CD-CE1 4.04Å; K38-Y94 HydrophobicContact CG-CD1 4.26Å; K38-Y94 HydrophobicContact CG-CE1 3.7Å
39	Q	97.7	Very high	96.1	Very high	50 Å²	50	61.5 Å²	61.5	23%	0.234	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	112.9	166	-171.6	174.7	35.6	0	0	109.3	S44 L45 A92 V93 Y95	Q39-S44 WeakPolarHBondContact CA-O 3.38Å; Q39-L45 HydrophobicContact CB-CD2 3.69Å; Q39-L45 HydrophobicContact CG-CD2 3.77Å; Q39-A92 VanDerWaalsContact O-CB 3.25Å; Q39-A92 WeakPolarHBondContact O-CB 3.4Å; Q39-V93 HydrophobicContact CB-CB 4.39Å; Q39-V93 PolarHBondContact N-O 2.67Å; Q39-V93 PolarHBondContact O-N 3.2Å; Q39-Y95 HydrophobicContact CB-CD2 4.23Å; Q39-Y95 HydrophobicContact CB-CE2 3.76Å; Q39-Y95 PolarHBondContact OE1-OH 3.21Å
40	S	92.9	Very high	96.3	Very high	29 Å²	29	63.3 Å²	63.3	20%	0.203	33%	0.328	C	S	.	.			trans	-69.4	167.5	176.7	72	0	0	0	0	111.9	E42 K43 S44	S40-E42 PolarHBondContact O-N 3.23Å; S40-E42 PolarHBondContact OG-N 2.99Å; S40-K43 WeakPolarHBondContact O-CA 3.48Å; S40-K43 PolarHBondContact O-N 2.88Å; S40-S44 PolarHBondContact N-O 2.61Å; S40-S44 PolarHBondContact OG-N 3.38Å; S40-S44 PolarHBondContact OG-O 3.33Å; S40-S44 PolarHBondContact OG-OG 2.75Å
41	S	90.8	Very high	96.4	Very high	115 Å²	115	60.4 Å²	60.4	80%	0.804	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.9	171.1	50.5	0	0	0	0	113.1	K43	S41-K43 PolarHBondContact O-N 3.25Å
42	E	91.7	Very high	96.5	Very high	168 Å²	168	59 Å²	59	79%	0.785	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	4.2	173.3	-60.5	177.1	175.7	0	0	112.8	S40 S44	S40-E42 PolarHBondContact O-N 3.23Å; S40-E42 PolarHBondContact OG-N 2.99Å; E42-S44 PolarHBondContact O-N 2.92Å
43	K	86.4	Confident	96.5	Very high	167 Å²	167	53.1 Å²	53.1	73%	0.726	27%	0.267	S	S	*	.			trans	64.1	11	-176.6	-54.2	-179.1	179.5	178.6	0	114.6	S40 S41	S40-K43 WeakPolarHBondContact O-CA 3.48Å; S40-K43 PolarHBondContact O-N 2.88Å; S41-K43 PolarHBondContact O-N 3.25Å
44	S	93.3	Very high	96.5	Very high	62 Å²	62	51 Å²	51	43%	0.434	27%	0.267	S	S	.	.			trans	-70.3	133.5	171.3	60.8	0	0	0	0	110.3	Q39 S40 E42	Q39-S44 WeakPolarHBondContact CA-O 3.38Å; S40-S44 PolarHBondContact N-O 2.61Å; S40-S44 PolarHBondContact OG-N 3.38Å; S40-S44 PolarHBondContact OG-O 3.33Å; S40-S44 PolarHBondContact OG-OG 2.75Å; E42-S44 PolarHBondContact O-N 2.92Å
45	L	97	Very high	96.5	Very high	120 Å²	120	55.9 Å²	55.9	63%	0.628	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.7	175	-65.9	176.1	0	0	0	109.4	V37 K38 Q39	V37-L45 HydrophobicContact CG1-CB 4.13Å; V37-L45 HydrophobicContact CG1-CD2 4.04Å; K38-L45 WeakPolarHBondContact O-CA 3.11Å; Q39-L45 HydrophobicContact CB-CD2 3.69Å; Q39-L45 HydrophobicContact CG-CD2 3.77Å
46	E	97.4	Very high	96.4	Very high	51 Å²	51	55 Å²	55	24%	0.238	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	117.6	179.2	-165.2	175.4	-152.2	0	0	109.2	V37 K38 I48 K63 F64	V37-E46 WeakPolarHBondContact CA-O 3.48Å; K38-E46 HydrophobicContact CB-CB 4.48Å; K38-E46 PolarHBondContact N-O 3.05Å; K38-E46 PolarHBondContact O-N 3.37Å; E46-I48 PolarHBondContact O-N 3.11Å; E46-K63 VanDerWaalsContact CD-NZ 3.27Å; E46-K63 WeakPolarHBondContact OE1-CD 3.25Å; E46-K63 IonicContact OE1-NZ 2.94Å; E46-K63 PolarHBondContact OE1-NZ 2.82Å; E46-K63 IonicContact OE2-NZ 2.78Å; E46-K63 PolarHBondContact OE2-NZ 2.75Å; E46-F64 HydrophobicContact CG-CE2 3.83Å; E46-F64 HydrophobicContact CG-CZ 4.35Å; E46-F64 WeakPolarHBondContact OE2-CZ 3.47Å
47	W	98.4	Very high	96.4	Very high	84 Å²	84	56.7 Å²	56.7	32%	0.318	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	130.6	176.1	-179.2	76.5	0	0	0	110.2	H35 G49 E50 N61	H35-W47 AromaticContact ND1-NE1 3.49Å; H35-W47 PolarHBondContact ND1-NE1 3.23Å; W47-G49 VanDerWaalsContact CE2-C 3.47Å; W47-G49 VanDerWaalsContact CE2-CA 3.5Å; W47-G49 PolarHBondContact NE1-O 3.19Å; W47-E50 HydrophobicContact CZ2-CB 3.97Å; W47-E50 HydrophobicContact CZ2-CG 3.95Å; W47-N61 HydrophobicContact CE3-CB 3.85Å; W47-N61 HydrophobicContact CZ3-CB 4.13Å; W47-N61 VanDerWaalsContact CZ3-N 3.32Å; W47-N61 WeakPolarHBondContact O-CB 3.36Å; W47-N61 PolarHBondContact O-ND2 3.49Å
48	I	98.7	Very high	96.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-48.7	-177.5	-61	175.6	0	0	0	110.1	W36 K38 E46 Y60 N61 F64 A68 M81 Y94	W36-I48 HydrophobicContact CB-CB 4.13Å; W36-I48 HydrophobicContact CB-CD1 4.31Å; W36-I48 WeakPolarHBondContact O-CB 3.4Å; W36-I48 PolarHBondContact O-N 2.92Å; K38-I48 HydrophobicContact CB-CD1 3.97Å; K38-I48 HydrophobicContact CB-CG1 4.11Å; E46-I48 PolarHBondContact O-N 3.11Å; I48-Y60 WeakPolarHBondContact O-CA 3.39Å; I48-N61 PolarHBondContact O-N 3.06Å; I48-F64 HydrophobicContact CB-CD1 4.43Å; I48-F64 HydrophobicContact CB-CD2 4.24Å; I48-F64 HydrophobicContact CB-CG 4.17Å; I48-F64 HydrophobicContact CD1-CE1 4.33Å; I48-F64 HydrophobicContact CG1-CD1 4.07Å; I48-F64 HydrophobicContact CG1-CD2 4.16Å; I48-F64 HydrophobicContact CG1-CE1 3.93Å; I48-F64 HydrophobicContact CG1-CE2 4.02Å; I48-F64 HydrophobicContact CG1-CG 4.18Å; I48-F64 HydrophobicContact CG1-CZ 3.9Å; I48-F64 HydrophobicContact CG2-CB 3.74Å; I48-F64 HydrophobicContact CG2-CD1 3.9Å; I48-F64 HydrophobicContact CG2-CD2 4.27Å; I48-F64 HydrophobicContact CG2-CG 3.7Å; I48-A68 HydrophobicContact CG2-CB 3.74Å; I48-M81 HydrophobicContact CD1-CE 3.97Å; I48-M81 HydrophobicContact CD1-SD 3.56Å; I48-M81 VanDerWaalsContact CD1-SD 3.56Å; I48-M81 HydrophobicContact CG2-SD 3.91Å; I48-Y94 HydrophobicContact CD1-CD1 3.65Å; I48-Y94 HydrophobicContact CD1-CE1 3.88Å
49	G	98.7	Very high	96.4	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169	178.1	-170.3	0	0	0	0	0	112.2	H35 W36 W47 S59	H35-G49 WeakPolarHBondContact CA-O 3.33Å; W36-G49 PolarHBondContact N-O 3.23Å; W47-G49 VanDerWaalsContact CE2-C 3.47Å; W47-G49 VanDerWaalsContact CE2-CA 3.5Å; W47-G49 PolarHBondContact NE1-O 3.19Å; G49-S59 CarbonylContact C-O 3.58Å; G49-S59 WeakPolarHBondContact CA-O 3.33Å
50	E	98.7	Very high	96.5	Very high	46 Å²	46	60.7 Å²	60.7	22%	0.215	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	157	174.9	70.1	-167.2	-152.1	0	0	111.3	Y33 M34 H35 W47 T58 S59 L70	Y33-E50 HydrophobicContact CD1-CB 4.46Å; Y33-E50 HydrophobicContact CD1-CG 4.02Å; M34-E50 CarbonylContact O-C 3.49Å; M34-E50 WeakPolarHBondContact O-CA 3.49Å; H35-E50 IonicContact CE1-OE2 2.67Å; H35-E50 PolarHBondContact CE1-OE2 2.95Å; H35-E50 IonicContact ND1-OE2 2.61Å; H35-E50 PolarHBondContact ND1-OE2 3.03Å; H35-E50 VanDerWaalsContact ND1-OE2 3.09Å; W47-E50 HydrophobicContact CZ2-CB 3.97Å; W47-E50 HydrophobicContact CZ2-CG 3.95Å; E50-T58 VanDerWaalsContact O-CA 3.27Å; E50-T58 WeakPolarHBondContact O-CA 3.47Å; E50-S59 PolarHBondContact N-O 2.81Å; E50-S59 PolarHBondContact O-N 2.93Å; E50-L70 VanDerWaalsContact C-CD1 3.47Å; E50-L70 WeakPolarHBondContact O-CD1 2.99Å
51	I	98.8	Very high	96.7	Very high	3 Å²	3	61.6 Å²	61.6	2%	0.015	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.7	171.8	-173.9	164.5	0	0	0	109.7	M34 P53 G57 T58 L70 V72	M34-I51 HydrophobicContact CB-CG2 3.97Å; M34-I51 PolarHBondContact N-O 3Å; M34-I51 PolarHBondContact O-N 3.13Å; I51-P53 WeakPolarHBondContact O-CD 3.31Å; I51-G57 CarbonylContact C-O 3.59Å; I51-G57 WeakPolarHBondContact CA-O 3.38Å; I51-T58 HydrophobicContact CB-CG2 3.92Å; I51-T58 HydrophobicContact CD1-CG2 3.84Å; I51-T58 HydrophobicContact CG1-CG2 3.74Å; I51-L70 HydrophobicContact CB-CB 4.07Å; I51-L70 HydrophobicContact CB-CD1 4.4Å; I51-L70 HydrophobicContact CD1-CB 4.3Å; I51-L70 HydrophobicContact CG2-CB 4.41Å; I51-V72 HydrophobicContact CD1-CB 4.04Å; I51-V72 HydrophobicContact CD1-CG1 4Å
52	N	98.3	Very high	97	Very high	22 Å²	22	63 Å²	63	12%	0.118	34%	0.342	C	S	.	.			trans	-79.7	111.5	168.1	-171.7	-46.5	0	0	0	108.9	Y33 S54 T55 G56 G57	Y33-N52 HydrophobicContact CD1-CB 3.88Å; Y33-N52 HydrophobicContact CE1-CB 3.41Å; Y33-N52 VanDerWaalsContact CE1-CB 3.41Å; Y33-N52 VanDerWaalsContact CZ-ND2 3.33Å; Y33-N52 PolarHBondContact OH-ND2 2.7Å; Y33-N52 VanDerWaalsContact OH-ND2 3.1Å; N52-S54 PolarHBondContact O-N 3Å; N52-S54 WeakPolarHBondContact OD1-CA 3.02Å; N52-S54 VanDerWaalsContact OD1-CB 3.22Å; N52-S54 WeakPolarHBondContact OD1-CB 3.36Å; N52-S54 PolarHBondContact OD1-N 2.75Å; N52-T55 WeakPolarHBondContact CB-OG1 3.11Å; N52-T55 VanDerWaalsContact CG-OG1 3.31Å; N52-T55 PolarHBondContact O-N 3Å; N52-T55 PolarHBondContact OD1-N 3.46Å; N52-T55 VanDerWaalsContact OD1-N 3.11Å; N52-G56 VanDerWaalsContact O-CA 3.27Å; N52-G56 WeakPolarHBondContact O-CA 3.39Å; N52-G56 PolarHBondContact O-N 2.82Å; N52-G57 PolarHBondContact N-O 2.64Å
53	P	98.2	Very high	97.2	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-18	-178.4	-23	38.3	0	0	0	113.5	F29 Y32 I51 V72 K74	F29-P53 HydrophobicContact CD1-CB 3.99Å; F29-P53 HydrophobicContact CD2-CB 4.43Å; F29-P53 HydrophobicContact CD2-CG 4.32Å; F29-P53 HydrophobicContact CE1-CB 3.74Å; F29-P53 HydrophobicContact CE1-CG 4.4Å; F29-P53 HydrophobicContact CE2-CB 4.19Å; F29-P53 HydrophobicContact CE2-CG 3.96Å; F29-P53 HydrophobicContact CG-CB 4.36Å; F29-P53 HydrophobicContact CZ-CB 3.84Å; F29-P53 HydrophobicContact CZ-CG 4.02Å; F29-P53 WeakPolarHBondContact O-CB 3.42Å; F29-P53 WeakPolarHBondContact O-CG 3.46Å; Y32-P53 WeakPolarHBondContact O-CD 2.69Å; Y32-P53 VanDerWaalsContact O-CG 3.28Å; Y32-P53 WeakPolarHBondContact O-CG 3.09Å; I51-P53 WeakPolarHBondContact O-CD 3.31Å; P53-V72 HydrophobicContact CB-CG2 3.96Å; P53-K74 WeakPolarHBondContact O-CE 3.18Å
54	S	97.5	Very high	97.7	Very high	60 Å²	60	52.8 Å²	52.8	42%	0.42	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-50.1	174.1	-176.3	0	0	0	0	112.1	T30 N52 K74	T30-S54 WeakPolarHBondContact O-CB 3.27Å; N52-S54 PolarHBondContact O-N 3Å; N52-S54 WeakPolarHBondContact OD1-CA 3.02Å; N52-S54 VanDerWaalsContact OD1-CB 3.22Å; N52-S54 WeakPolarHBondContact OD1-CB 3.36Å; N52-S54 PolarHBondContact OD1-N 2.75Å; S54-K74 WeakPolarHBondContact O-CE 3.45Å; S54-K74 PolarHBondContact O-NZ 3.02Å
55	T	97.5	Very high	97.9	Very high	103 Å²	103	56.4 Å²	56.4	63%	0.632	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-19.6	-172.8	65.9	0	0	0	0	114.1	N52 G57	N52-T55 WeakPolarHBondContact CB-OG1 3.11Å; N52-T55 VanDerWaalsContact CG-OG1 3.31Å; N52-T55 PolarHBondContact O-N 3Å; N52-T55 PolarHBondContact OD1-N 3.46Å; N52-T55 VanDerWaalsContact OD1-N 3.11Å; T55-G57 PolarHBondContact O-N 2.87Å; T55-G57 PolarHBondContact OG1-N 2.87Å
56	G	97	Very high	97.8	Very high	34 Å²	34	53.2 Å²	53.2	35%	0.351	30%	0.299	S	S	.	.			trans	76.4	2.6	-169.9	0	0	0	0	0	114	N52	N52-G56 VanDerWaalsContact O-CA 3.27Å; N52-G56 WeakPolarHBondContact O-CA 3.39Å; N52-G56 PolarHBondContact O-N 2.82Å
57	G	98.3	Very high	97.8	Very high	35 Å²	35	53 Å²	53	36%	0.361	30%	0.298	S	S	.	.			trans	-62.2	138	176.6	0	0	0	0	0	111.5	I51 N52 T55	I51-G57 CarbonylContact C-O 3.59Å; I51-G57 WeakPolarHBondContact CA-O 3.38Å; N52-G57 PolarHBondContact N-O 2.64Å; T55-G57 PolarHBondContact O-N 2.87Å; T55-G57 PolarHBondContact OG1-N 2.87Å
58	T	98.7	Very high	97.8	Very high	67 Å²	67	49.1 Å²	49.1	41%	0.411	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147	-177.1	52.1	0	0	0	0	111.7	E50 I51 Y60 L70	E50-T58 VanDerWaalsContact O-CA 3.27Å; E50-T58 WeakPolarHBondContact O-CA 3.47Å; I51-T58 HydrophobicContact CB-CG2 3.92Å; I51-T58 HydrophobicContact CD1-CG2 3.84Å; I51-T58 HydrophobicContact CG1-CG2 3.74Å; T58-Y60 WeakPolarHBondContact OG1-CE2 3.27Å; T58-L70 HydrophobicContact CG2-CB 3.94Å
59	S	98.6	Very high	97.8	Very high	56 Å²	56	52 Å²	52	39%	0.392	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	149.2	168.5	-174.9	0	0	0	0	109.2	G49 E50	G49-S59 CarbonylContact C-O 3.58Å; G49-S59 WeakPolarHBondContact CA-O 3.33Å; E50-S59 PolarHBondContact N-O 2.81Å; E50-S59 PolarHBondContact O-N 2.93Å
60	Y	98.7	Very high	97.8	Very high	52 Å²	52	52.4 Å²	52.4	20%	0.204	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	147.1	-174.5	-63.2	-89.8	0	0	0	111.1	I48 T58 A68 L70	I48-Y60 WeakPolarHBondContact O-CA 3.39Å; T58-Y60 WeakPolarHBondContact OG1-CE2 3.27Å; Y60-A68 HydrophobicContact CD1-CB 4.34Å; Y60-A68 HydrophobicContact CE1-CB 4.13Å; Y60-A68 WeakPolarHBondContact CE1-O 3.37Å; Y60-L70 HydrophobicContact CE1-CD1 4.1Å; Y60-L70 HydrophobicContact CE1-CG 3.71Å; Y60-L70 PolarHBondContact OH-N 2.83Å
61	N	98.1	Very high	97.8	Very high	49 Å²	49	53.2 Å²	53.2	26%	0.262	31%	0.311	S	S	.	.			trans	-65.6	136.9	156.9	179.1	-28.2	0	0	0	109	W47 I48 K63 F64 K65	W47-N61 HydrophobicContact CE3-CB 3.85Å; W47-N61 HydrophobicContact CZ3-CB 4.13Å; W47-N61 VanDerWaalsContact CZ3-N 3.32Å; W47-N61 WeakPolarHBondContact O-CB 3.36Å; W47-N61 PolarHBondContact O-ND2 3.49Å; I48-N61 PolarHBondContact O-N 3.06Å; N61-K63 PolarHBondContact O-N 3.22Å; N61-K63 VanDerWaalsContact O-N 3.13Å; N61-K63 PolarHBondContact OD1-N 2.86Å; N61-F64 HydrophobicContact CB-CD2 4.06Å; N61-F64 PolarHBondContact O-N 2.91Å; N61-K65 PolarHBondContact O-N 3.27Å
62	Q	97.4	Very high	97.8	Very high	143 Å²	143	54.8 Å²	54.8	67%	0.668	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-36.1	-178.3	-65.7	-63	-18.9	0	0	113	F64 K65	Q62-F64 PolarHBondContact O-N 2.89Å; Q62-K65 WeakPolarHBondContact O-CB 3.3Å; Q62-K65 PolarHBondContact O-N 2.86Å
63	K	95.1	Very high	97.7	Very high	119 Å²	119	56.3 Å²	56.3	52%	0.517	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-30	178.3	-170.2	-174.4	-177	-179.4	0	113.4	E46 N61	E46-K63 VanDerWaalsContact CD-NZ 3.27Å; E46-K63 WeakPolarHBondContact OE1-CD 3.25Å; E46-K63 IonicContact OE1-NZ 2.94Å; E46-K63 PolarHBondContact OE1-NZ 2.82Å; E46-K63 IonicContact OE2-NZ 2.78Å; E46-K63 PolarHBondContact OE2-NZ 2.75Å; N61-K63 PolarHBondContact O-N 3.22Å; N61-K63 VanDerWaalsContact O-N 3.13Å; N61-K63 PolarHBondContact OD1-N 2.86Å
64	F	97.7	Very high	97.7	Very high	3 Å²	3	61.7 Å²	61.7	1%	0.013	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-7.2	-179.6	-63.3	-87.2	0	0	0	112.7	K38 E46 I48 N61 Q62 G66 K67 A68	K38-F64 HydrophobicContact CB-CZ 4.16Å; K38-F64 HydrophobicContact CD-CE1 3.99Å; K38-F64 HydrophobicContact CD-CZ 3.75Å; E46-F64 HydrophobicContact CG-CE2 3.83Å; E46-F64 HydrophobicContact CG-CZ 4.35Å; E46-F64 WeakPolarHBondContact OE2-CZ 3.47Å; I48-F64 HydrophobicContact CB-CD1 4.43Å; I48-F64 HydrophobicContact CB-CD2 4.24Å; I48-F64 HydrophobicContact CB-CG 4.17Å; I48-F64 HydrophobicContact CD1-CE1 4.33Å; I48-F64 HydrophobicContact CG1-CD1 4.07Å; I48-F64 HydrophobicContact CG1-CD2 4.16Å; I48-F64 HydrophobicContact CG1-CE1 3.93Å; I48-F64 HydrophobicContact CG1-CE2 4.02Å; I48-F64 HydrophobicContact CG1-CG 4.18Å; I48-F64 HydrophobicContact CG1-CZ 3.9Å; I48-F64 HydrophobicContact CG2-CB 3.74Å; I48-F64 HydrophobicContact CG2-CD1 3.9Å; I48-F64 HydrophobicContact CG2-CD2 4.27Å; I48-F64 HydrophobicContact CG2-CG 3.7Å; N61-F64 HydrophobicContact CB-CD2 4.06Å; N61-F64 PolarHBondContact O-N 2.91Å; Q62-F64 PolarHBondContact O-N 2.89Å; F64-G66 PolarHBondContact O-N 2.85Å; F64-K67 PolarHBondContact O-N 2.99Å; F64-A68 HydrophobicContact CB-CB 4.13Å; F64-A68 PolarHBondContact O-N 3.02Å
65	K	96.2	Very high	97.6	Very high	137 Å²	137	64 Å²	64	60%	0.596	37%	0.369	S	S	*	.	B	Isolated β-bridge	trans	-61.6	125	177.4	-169.2	173.6	-177.4	177.8	0	109.6	N61 Q62 K67	N61-K65 PolarHBondContact O-N 3.27Å; Q62-K65 WeakPolarHBondContact O-CB 3.3Å; Q62-K65 PolarHBondContact O-N 2.86Å; K65-K67 PolarHBondContact O-N 2.81Å
66	G	95.5	Very high	97.6	Very high	54 Å²	54	61 Å²	61	56%	0.557	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	-6.8	-175.6	0	0	0	0	0	114.6	F64 K84	F64-G66 PolarHBondContact O-N 2.85Å; G66-K84 WeakPolarHBondContact O-CE 3.46Å; G66-K84 PolarHBondContact O-NZ 3.22Å
67	K	97	Very high	97.6	Very high	46 Å²	46	61.3 Å²	61.3	20%	0.2	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-43	172.3	-172.7	171.5	-161.5	172.2	0	112.5	F64 K65 L83 K84 D90	F64-K67 PolarHBondContact O-N 2.99Å; K65-K67 PolarHBondContact O-N 2.81Å; K67-L83 WeakPolarHBondContact O-CA 3.42Å; K67-K84 PolarHBondContact O-N 2.88Å; K67-D90 VanDerWaalsContact CE-CG 3.5Å; K67-D90 VanDerWaalsContact CE-OD1 3.23Å; K67-D90 WeakPolarHBondContact CE-OD1 3.43Å; K67-D90 WeakPolarHBondContact CE-OD2 3.27Å; K67-D90 IonicContact NZ-OD1 2.88Å; K67-D90 PolarHBondContact NZ-OD1 2.99Å; K67-D90 IonicContact NZ-OD2 3.09Å; K67-D90 PolarHBondContact NZ-OD2 3.44Å
68	A	98.5	Very high	97.6	Very high	3 Å²	3	60 Å²	60	3%	0.025	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	141.8	174.8	0	0	0	0	0	110.9	I48 Y60 F64 Q82 L83	I48-A68 HydrophobicContact CG2-CB 3.74Å; Y60-A68 HydrophobicContact CD1-CB 4.34Å; Y60-A68 HydrophobicContact CE1-CB 4.13Å; Y60-A68 WeakPolarHBondContact CE1-O 3.37Å; F64-A68 HydrophobicContact CB-CB 4.13Å; F64-A68 PolarHBondContact O-N 3.02Å; A68-Q82 CarbonylContact C-O 3.54Å; A68-Q82 WeakPolarHBondContact CA-O 3.38Å; A68-L83 HydrophobicContact CB-CD2 3.75Å
69	T	98.7	Very high	97.6	Very high	60 Å²	60	56.8 Å²	56.8	37%	0.368	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	119.9	169.1	-59.6	0	0	0	0	108.5	T71 M81 Q82	T69-T71 HydrophobicContact CG2-CG2 4.23Å; T69-M81 WeakPolarHBondContact O-CA 3.22Å; T69-Q82 PolarHBondContact N-O 2.77Å; T69-Q82 PolarHBondContact O-N 3.11Å
70	L	98.8	Very high	97.7	Very high	8 Å²	8	56.6 Å²	56.6	4%	0.042	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132.7	177.3	-52.1	-176.6	0	0	0	110.3	W36 E50 I51 T58 Y60 Y80 M81	W36-L70 VanDerWaalsContact CD1-CD2 3.45Å; W36-L70 HydrophobicContact CG-CD2 3.99Å; E50-L70 VanDerWaalsContact C-CD1 3.47Å; E50-L70 WeakPolarHBondContact O-CD1 2.99Å; I51-L70 HydrophobicContact CB-CB 4.07Å; I51-L70 HydrophobicContact CB-CD1 4.4Å; I51-L70 HydrophobicContact CD1-CB 4.3Å; I51-L70 HydrophobicContact CG2-CB 4.41Å; T58-L70 HydrophobicContact CG2-CB 3.94Å; Y60-L70 HydrophobicContact CE1-CD1 4.1Å; Y60-L70 HydrophobicContact CE1-CG 3.71Å; Y60-L70 PolarHBondContact OH-N 2.83Å; L70-Y80 WeakPolarHBondContact CA-O 2.98Å; L70-M81 HydrophobicContact CD2-CB 3.68Å; L70-M81 HydrophobicContact CD2-CG 3.63Å; L70-M81 HydrophobicContact CD2-SD 4.27Å
71	T	98.6	Very high	97.7	Very high	63 Å²	63	54.1 Å²	54.1	39%	0.387	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	164.5	176.7	56.1	0	0	0	0	110.8	T69 Y80	T69-T71 HydrophobicContact CG2-CG2 4.23Å; T71-Y80 PolarHBondContact N-O 2.88Å; T71-Y80 PolarHBondContact O-N 2.85Å
72	V	98.4	Very high	97.7	Very high	37 Å²	37	55.8 Å²	55.8	22%	0.224	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	137.3	-177.6	65.2	0	0	0	0	111.4	F29 I51 P53	F29-V72 HydrophobicContact CE1-CG2 3.3Å; F29-V72 HydrophobicContact CZ-CG2 3.38Å; I51-V72 HydrophobicContact CD1-CB 4.04Å; I51-V72 HydrophobicContact CD1-CG1 4Å; P53-V72 HydrophobicContact CB-CG2 3.96Å
73	D	98	Very high	97.7	Very high	54 Å²	54	49 Å²	49	29%	0.289	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	106.6	165.3	174.4	9.5	0	0	0	108.7	S75 S76 S77 T78 Y80	D73-S75 VanDerWaalsContact C-N 3.31Å; D73-S75 PolarHBondContact O-N 2.92Å; D73-S75 WeakPolarHBondContact OD1-CB 3.22Å; D73-S75 PolarHBondContact OD1-N 2.92Å; D73-S75 PolarHBondContact OD1-OG 3.09Å; D73-S75 PolarHBondContact OD2-OG 2.02Å; D73-S76 PolarHBondContact OD1-N 2.79Å; D73-S76 WeakPolarHBondContact OD2-CB 3.43Å; D73-S76 PolarHBondContact OD2-OG 3.04Å; D73-S77 PolarHBondContact O-N 2.85Å; D73-S77 VanDerWaalsContact O-N 3.15Å; D73-T78 PolarHBondContact N-O 2.81Å; D73-T78 PolarHBondContact O-N 2.91Å; D73-Y80 HydrophobicContact CB-CE2 3.98Å
74	K	96.2	Very high	97.8	Very high	113 Å²	113	47.9 Å²	47.9	49%	0.491	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-34.3	-179.3	-59.1	-178.6	-173.5	-175.1	0	111.8	P53 S54 S76 S77	P53-K74 WeakPolarHBondContact O-CE 3.18Å; S54-K74 WeakPolarHBondContact O-CE 3.45Å; S54-K74 PolarHBondContact O-NZ 3.02Å; K74-S76 VanDerWaalsContact C-N 3.34Å; K74-S76 PolarHBondContact O-N 2.87Å; K74-S77 PolarHBondContact O-N 3.1Å
75	S	96.3	Very high	97.8	Very high	109 Å²	109	51.5 Å²	51.5	76%	0.762	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-38.1	-174.6	71.8	0	0	0	0	111.7	D73	D73-S75 VanDerWaalsContact C-N 3.31Å; D73-S75 PolarHBondContact O-N 2.92Å; D73-S75 WeakPolarHBondContact OD1-CB 3.22Å; D73-S75 PolarHBondContact OD1-N 2.92Å; D73-S75 PolarHBondContact OD1-OG 3.09Å; D73-S75 PolarHBondContact OD2-OG 2.02Å
76	S	97.3	Very high	97.9	Very high	39 Å²	39	45.7 Å²	45.7	27%	0.273	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-0.6	177.8	66.2	0	0	0	0	114	D73 K74 T78	D73-S76 PolarHBondContact OD1-N 2.79Å; D73-S76 WeakPolarHBondContact OD2-CB 3.43Å; D73-S76 PolarHBondContact OD2-OG 3.04Å; K74-S76 VanDerWaalsContact C-N 3.34Å; K74-S76 PolarHBondContact O-N 2.87Å; S76-T78 VanDerWaalsContact C-N 3.29Å; S76-T78 PolarHBondContact O-N 2.9Å; S76-T78 PolarHBondContact O-OG1 2.79Å; S76-T78 WeakPolarHBondContact OG-CB 3.33Å; S76-T78 PolarHBondContact OG-OG1 3.09Å
77	S	98	Very high	97.9	Very high	40 Å²	40	46.1 Å²	46.1	28%	0.28	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	44.7	-171.1	-61	0	0	0	0	112.9	A24 F29 D73 K74	A24-S77 PolarHBondContact N-O 3.23Å; F29-S77 VanDerWaalsContact CD1-CA 3.49Å; D73-S77 PolarHBondContact O-N 2.85Å; D73-S77 VanDerWaalsContact O-N 3.15Å; K74-S77 PolarHBondContact O-N 3.1Å
78	T	98.7	Very high	97.7	Very high	7 Å²	7	48.8 Å²	48.8	4%	0.043	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.2	-174.9	-50.1	0	0	0	0	110.8	C22 K23 D73 S76 Y80	C22-T78 WeakPolarHBondContact O-CA 3.37Å; K23-T78 HydrophobicContact CB-CG2 4.43Å; D73-T78 PolarHBondContact N-O 2.81Å; D73-T78 PolarHBondContact O-N 2.91Å; S76-T78 VanDerWaalsContact C-N 3.29Å; S76-T78 PolarHBondContact O-N 2.9Å; S76-T78 PolarHBondContact O-OG1 2.79Å; S76-T78 WeakPolarHBondContact OG-CB 3.33Å; S76-T78 PolarHBondContact OG-OG1 3.09Å; T78-Y80 HydrophobicContact CG2-CD1 4.38Å; T78-Y80 HydrophobicContact CG2-CD2 4.38Å; T78-Y80 HydrophobicContact CG2-CE1 3.77Å; T78-Y80 HydrophobicContact CG2-CE2 3.75Å
79	A	98.7	Very high	97.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	151.5	167.3	0	0	0	0	0	110.1	S21 C22 F29 M34 W36	S21-A79 CarbonylContact C-O 3.45Å; C22-A79 PolarHBondContact N-O 3.46Å; C22-A79 PolarHBondContact O-N 3.22Å; F29-A79 HydrophobicContact CE2-CB 4.43Å; F29-A79 HydrophobicContact CZ-CB 4.21Å; M34-A79 HydrophobicContact CB-CB 4.15Å; M34-A79 HydrophobicContact CE-CB 4.48Å; M34-A79 HydrophobicContact CG-CB 3.66Å; W36-A79 HydrophobicContact CZ2-CB 4.27Å
80	Y	98.8	Very high	97.2	Very high	53 Å²	53	53.3 Å²	53.3	21%	0.208	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	143.7	177.4	-56.1	-91.1	0	0	0	110.9	K19 I20 S21 L70 T71 D73 T78	K19-Y80 HydrophobicContact CD-CD1 4.41Å; K19-Y80 VanDerWaalsContact CE-CD1 3.42Å; K19-Y80 HydrophobicContact CG-CD1 4.4Å; I20-Y80 CarbonylContact O-C 3.55Å; I20-Y80 WeakPolarHBondContact O-CA 3.22Å; S21-Y80 VanDerWaalsContact CB-CE1 3.45Å; L70-Y80 WeakPolarHBondContact CA-O 2.98Å; T71-Y80 PolarHBondContact N-O 2.88Å; T71-Y80 PolarHBondContact O-N 2.85Å; D73-Y80 HydrophobicContact CB-CE2 3.98Å; T78-Y80 HydrophobicContact CG2-CD1 4.38Å; T78-Y80 HydrophobicContact CG2-CD2 4.38Å; T78-Y80 HydrophobicContact CG2-CE1 3.77Å; T78-Y80 HydrophobicContact CG2-CE2 3.75Å
81	M	98.7	Very high	97	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.9	166.6	177.1	179.6	69.6	0	0	109	I20 W36 I48 T69 L70 L83 Y94	I20-M81 HydrophobicContact CD1-CE 3.72Å; I20-M81 HydrophobicContact CG1-CE 4.45Å; I20-M81 PolarHBondContact N-O 3.22Å; I20-M81 PolarHBondContact O-N 2.85Å; W36-M81 HydrophobicContact CB-SD 3.89Å; W36-M81 HydrophobicContact CD2-CB 3.66Å; W36-M81 HydrophobicContact CD2-CE 4.45Å; W36-M81 HydrophobicContact CD2-CG 4.46Å; W36-M81 HydrophobicContact CD2-SD 4.13Å; W36-M81 HydrophobicContact CE3-CB 3.91Å; W36-M81 HydrophobicContact CE3-CE 3.89Å; W36-M81 HydrophobicContact CE3-SD 4.16Å; W36-M81 HydrophobicContact CG-CB 4.14Å; W36-M81 HydrophobicContact CG-SD 4.04Å; W36-M81 HydrophobicContact CH2-CB 4.15Å; W36-M81 HydrophobicContact CZ2-CB 3.93Å; W36-M81 HydrophobicContact CZ3-CB 4.15Å; W36-M81 HydrophobicContact CZ3-CE 4.39Å; I48-M81 HydrophobicContact CD1-CE 3.97Å; I48-M81 HydrophobicContact CD1-SD 3.56Å; I48-M81 VanDerWaalsContact CD1-SD 3.56Å; I48-M81 HydrophobicContact CG2-SD 3.91Å; T69-M81 WeakPolarHBondContact O-CA 3.22Å; L70-M81 HydrophobicContact CD2-CB 3.68Å; L70-M81 HydrophobicContact CD2-CG 3.63Å; L70-M81 HydrophobicContact CD2-SD 4.27Å; M81-L83 HydrophobicContact CE-CD1 3.95Å; M81-L83 HydrophobicContact CE-CG 4.13Å; M81-L83 HydrophobicContact CG-CD2 4.49Å; M81-L83 HydrophobicContact CG-CG 4.39Å; M81-L83 HydrophobicContact SD-CD2 4.24Å; M81-L83 HydrophobicContact SD-CG 4.38Å; M81-Y94 HydrophobicContact CE-CD1 3.56Å; M81-Y94 HydrophobicContact CE-CE1 4.25Å; M81-Y94 HydrophobicContact CE-CG 3.93Å
82	Q	98.7	Very high	96.9	Very high	83 Å²	83	55.8 Å²	55.8	39%	0.388	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	126.4	169.3	-173.2	172.5	6.6	0	0	109.5	V18 A68 T69	V18-Q82 CarbonylContact O-C 3.53Å; V18-Q82 VanDerWaalsContact O-CA 3.27Å; V18-Q82 WeakPolarHBondContact O-CA 3.48Å; A68-Q82 CarbonylContact C-O 3.54Å; A68-Q82 WeakPolarHBondContact CA-O 3.38Å; T69-Q82 PolarHBondContact N-O 2.77Å; T69-Q82 PolarHBondContact O-N 3.11Å
83	L	98.4	Very high	96.9	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.8	170.2	-64.6	168.7	0	0	0	108.2	S17 V18 K67 A68 M81 L86 Y94	S17-L83 CarbonylContact C-O 3.51Å; S17-L83 WeakPolarHBondContact CA-O 3.49Å; S17-L83 VanDerWaalsContact CB-O 3.31Å; S17-L83 WeakPolarHBondContact CB-O 3.43Å; V18-L83 HydrophobicContact CG1-CB 3.99Å; V18-L83 HydrophobicContact CG1-CD1 4.38Å; V18-L83 PolarHBondContact N-O 2.89Å; V18-L83 PolarHBondContact O-N 3.42Å; K67-L83 WeakPolarHBondContact O-CA 3.42Å; A68-L83 HydrophobicContact CB-CD2 3.75Å; M81-L83 HydrophobicContact CE-CD1 3.95Å; M81-L83 HydrophobicContact CE-CG 4.13Å; M81-L83 HydrophobicContact CG-CD2 4.49Å; M81-L83 HydrophobicContact CG-CG 4.39Å; M81-L83 HydrophobicContact SD-CD2 4.24Å; M81-L83 HydrophobicContact SD-CG 4.38Å; L83-L86 HydrophobicContact CB-CD2 3.77Å; L83-L86 HydrophobicContact CD1-CD2 4.47Å; L83-Y94 HydrophobicContact CD1-CD1 4.11Å; L83-Y94 HydrophobicContact CD1-CE1 3.47Å; L83-Y94 VanDerWaalsContact CD1-CE1 3.47Å; L83-Y94 HydrophobicContact CD1-CE2 4.03Å; L83-Y94 VanDerWaalsContact CD1-CZ 3.43Å
84	K	97.5	Very high	96.9	Very high	97 Å²	97	56.1 Å²	56.1	42%	0.422	32%	0.323	S	S	.	.			trans	-115.1	163.7	178	66.2	174.7	177	178.1	0	112.4	S17 G66 K67 L86	S17-K84 WeakPolarHBondContact OG-CA 2.93Å; S17-K84 WeakPolarHBondContact OG-CB 3.28Å; G66-K84 WeakPolarHBondContact O-CE 3.46Å; G66-K84 PolarHBondContact O-NZ 3.22Å; K67-K84 PolarHBondContact O-N 2.88Å; K84-L86 VanDerWaalsContact C-N 3.3Å; K84-L86 PolarHBondContact O-N 2.82Å
85	S	97	Very high	97	Very high	79 Å²	79	55.2 Å²	55.2	55%	0.552	32%	0.317	S	S	*	.	S	Bend	trans	53.3	49.8	176	-55.7	0	0	0	0	111.5	A16	A16-S85 PolarHBondContact O-N 2.94Å
86	L	97.1	Very high	97.1	Very high	15 Å²	15	50.5 Å²	50.5	8%	0.079	28%	0.284	C	S	.	.			trans	-62.9	144.7	-172.9	-68.1	169	0	0	0	112.2	V12 P14 G15 A16 V18 L83 K84 D90	V12-L86 HydrophobicContact CB-CD1 4.43Å; V12-L86 HydrophobicContact CG2-CD1 3.32Å; P14-L86 CarbonylContact C-O 3.57Å; P14-L86 WeakPolarHBondContact CA-O 3.42Å; G15-L86 PolarHBondContact N-O 2.92Å; A16-L86 VanDerWaalsContact O-CG 3.32Å; A16-L86 WeakPolarHBondContact O-CG 3.37Å; A16-L86 PolarHBondContact O-N 2.69Å; V18-L86 HydrophobicContact CB-CD1 4.05Å; V18-L86 HydrophobicContact CG1-CD1 3.85Å; V18-L86 HydrophobicContact CG1-CD2 4.34Å; L83-L86 HydrophobicContact CB-CD2 3.77Å; L83-L86 HydrophobicContact CD1-CD2 4.47Å; K84-L86 VanDerWaalsContact C-N 3.3Å; K84-L86 PolarHBondContact O-N 2.82Å; L86-D90 WeakPolarHBondContact CA-OD2 3.39Å; L86-D90 HydrophobicContact CD2-CB 3.73Å
87	T	95.9	Very high	97.1	Very high	62 Å²	62	50.6 Å²	50.6	38%	0.38	29%	0.287	S	S	.	.			trans	-124.9	168.8	177.3	60.5	0	0	0	0	109	E89 D90	T87-E89 PolarHBondContact O-N 2.99Å; T87-D90 PolarHBondContact N-OD2 3.3Å; T87-D90 WeakPolarHBondContact O-CB 3.38Å; T87-D90 PolarHBondContact O-N 3.24Å; T87-D90 PolarHBondContact OG1-OD2 2.91Å
88	S	93.1	Very high	96.8	Very high	102 Å²	102	54.1 Å²	54.1	71%	0.713	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-57.9	-29.8	174.1	47.8	0	0	0	0	112.6	D90 S91	S88-D90 PolarHBondContact O-N 2.84Å; S88-S91 WeakPolarHBondContact O-CB 3.42Å; S88-S91 PolarHBondContact O-N 3.15Å; S88-S91 PolarHBondContact O-OG 3.42Å
89	E	92.1	Very high	96.7	Very high	147 Å²	147	56.5 Å²	56.5	69%	0.687	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-65.8	-17.3	176.2	-63	178.9	-172.3	0	0	113.1	K38 T87 S91	K38-E89 WeakPolarHBondContact CE-O 3.22Å; K38-E89 PolarHBondContact NZ-O 3.09Å; T87-E89 PolarHBondContact O-N 2.99Å; E89-S91 VanDerWaalsContact C-N 3.34Å
90	D	95.3	Very high	96.6	Very high	11 Å²	11	59.5 Å²	59.5	6%	0.059	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-86	-5.3	178	-58.7	-57.2	0	0	0	113.6	K38 K67 L86 T87 S88 A92 Y94	K38-D90 IonicContact NZ-OD1 3.93Å; K67-D90 VanDerWaalsContact CE-CG 3.5Å; K67-D90 VanDerWaalsContact CE-OD1 3.23Å; K67-D90 WeakPolarHBondContact CE-OD1 3.43Å; K67-D90 WeakPolarHBondContact CE-OD2 3.27Å; K67-D90 IonicContact NZ-OD1 2.88Å; K67-D90 PolarHBondContact NZ-OD1 2.99Å; K67-D90 IonicContact NZ-OD2 3.09Å; K67-D90 PolarHBondContact NZ-OD2 3.44Å; L86-D90 WeakPolarHBondContact CA-OD2 3.39Å; L86-D90 HydrophobicContact CD2-CB 3.73Å; T87-D90 PolarHBondContact N-OD2 3.3Å; T87-D90 WeakPolarHBondContact O-CB 3.38Å; T87-D90 PolarHBondContact O-N 3.24Å; T87-D90 PolarHBondContact OG1-OD2 2.91Å; S88-D90 PolarHBondContact O-N 2.84Å; D90-A92 PolarHBondContact O-N 2.93Å; D90-Y94 WeakPolarHBondContact O-CE2 3.15Å; D90-Y94 PolarHBondContact O-OH 3.46Å
91	S	95.2	Very high	96.5	Very high	93 Å²	93	59.8 Å²	59.8	65%	0.65	33%	0.329	S	S	*	.			trans	-66.4	104	171.3	-62.8	0	0	0	0	109.7	S88 E89	S88-S91 WeakPolarHBondContact O-CB 3.42Å; S88-S91 PolarHBondContact O-N 3.15Å; S88-S91 PolarHBondContact O-OG 3.42Å; E89-S91 VanDerWaalsContact C-N 3.34Å
92	A	96.5	Very high	96.3	Very high	31 Å²	31	63.4 Å²	63.4	26%	0.256	35%	0.349	S	S	.	.	S	Bend	trans	-161.3	168.2	-171.3	0	0	0	0	0	109.9	K38 Q39 D90 Y94	K38-A92 HydrophobicContact CD-CB 4.1Å; K38-A92 VanDerWaalsContact CE-CB 3.44Å; K38-A92 HydrophobicContact CG-CB 3.55Å; Q39-A92 VanDerWaalsContact O-CB 3.25Å; Q39-A92 WeakPolarHBondContact O-CB 3.4Å; D90-A92 PolarHBondContact O-N 2.93Å; A92-Y94 HydrophobicContact CB-CE2 4.01Å
93	V	97.3	Very high	96.2	Very high	74 Å²	74	62.1 Å²	62.1	45%	0.448	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	135.1	164.6	-170.8	0	0	0	0	108.2	Q39 Y95	Q39-V93 HydrophobicContact CB-CB 4.39Å; Q39-V93 PolarHBondContact N-O 2.67Å; Q39-V93 PolarHBondContact O-N 3.2Å; V93-Y95 HydrophobicContact CB-CE2 3.92Å; V93-Y95 HydrophobicContact CG1-CD2 4.26Å; V93-Y95 HydrophobicContact CG1-CE1 3.85Å; V93-Y95 HydrophobicContact CG1-CE2 3.55Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.33Å
94	Y	98.1	Very high	96	Very high	24 Å²	24	66.3 Å²	66.3	9%	0.094	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	132.4	177.8	-66.4	-85	0	0	0	108.9	Q6 I20 V37 K38 I48 M81 L83 D90 A92	Q6-Y94 PolarHBondContact NE2-O 3.48Å; I20-Y94 HydrophobicContact CD1-CD2 3.79Å; I20-Y94 HydrophobicContact CD1-CG 3.72Å; V37-Y94 CarbonylContact O-C 3.6Å; V37-Y94 WeakPolarHBondContact O-CA 3.41Å; K38-Y94 HydrophobicContact CB-CD1 4.13Å; K38-Y94 HydrophobicContact CB-CE1 3.89Å; K38-Y94 HydrophobicContact CD-CE1 4.04Å; K38-Y94 HydrophobicContact CG-CD1 4.26Å; K38-Y94 HydrophobicContact CG-CE1 3.7Å; I48-Y94 HydrophobicContact CD1-CD1 3.65Å; I48-Y94 HydrophobicContact CD1-CE1 3.88Å; M81-Y94 HydrophobicContact CE-CD1 3.56Å; M81-Y94 HydrophobicContact CE-CE1 4.25Å; M81-Y94 HydrophobicContact CE-CG 3.93Å; L83-Y94 HydrophobicContact CD1-CD1 4.11Å; L83-Y94 HydrophobicContact CD1-CE1 3.47Å; L83-Y94 VanDerWaalsContact CD1-CE1 3.47Å; L83-Y94 HydrophobicContact CD1-CE2 4.03Å; L83-Y94 VanDerWaalsContact CD1-CZ 3.43Å; D90-Y94 WeakPolarHBondContact O-CE2 3.15Å; D90-Y94 PolarHBondContact O-OH 3.46Å; A92-Y94 HydrophobicContact CB-CE2 4.01Å
95	Y	98	Very high	95.9	Very high	94 Å²	94	64.1 Å²	64.1	37%	0.369	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.3	-180	-63.8	-75.7	0	0	0	110.5	W36 V37 Q39 V93	W36-Y95 CarbonylContact C-O 3.57Å; W36-Y95 WeakPolarHBondContact CA-O 3.49Å; V37-Y95 PolarHBondContact N-O 3.28Å; V37-Y95 PolarHBondContact O-N 3.49Å; Q39-Y95 HydrophobicContact CB-CD2 4.23Å; Q39-Y95 HydrophobicContact CB-CE2 3.76Å; Q39-Y95 PolarHBondContact OE1-OH 3.21Å; V93-Y95 HydrophobicContact CB-CE2 3.92Å; V93-Y95 HydrophobicContact CG1-CD2 4.26Å; V93-Y95 HydrophobicContact CG1-CE1 3.85Å; V93-Y95 HydrophobicContact CG1-CE2 3.55Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.33Å
96	C	98.5	Very high	95.9	Very high	10 Å²	10	62.9 Å²	62.9	7%	0.068	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	145.8	158.4	64.2	0	0	0	0	109.6	Q6 C22 M34 H35 W36	Q6-C96 WeakPolarHBondContact CG-SG 3.34Å; C22-C96 HydrophobicContact CB-CB 3.43Å; C22-C96 VanDerWaalsContact CB-CB 3.43Å; C22-C96 WeakPolarHBondContact CB-SG 3.48Å; C22-C96 WeakPolarHBondContact SG-CB 3.41Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 2.63Å; M34-C96 HydrophobicContact CG-CB 4.49Å; M34-C96 HydrophobicContact SD-CB 3.76Å; H35-C96 CarbonylContact O-C 3.55Å; H35-C96 VanDerWaalsContact O-CA 3.3Å; H35-C96 WeakPolarHBondContact O-CA 3.36Å; W36-C96 HydrophobicContact CD2-CB 4.24Å; W36-C96 HydrophobicContact CE3-CB 3.99Å; W36-C96 HydrophobicContact CH2-CB 4Å; W36-C96 HydrophobicContact CZ2-CB 4.21Å; W36-C96 HydrophobicContact CZ3-CB 3.87Å
97	A	97.5	Very high	95.8	Very high	40 Å²	40	66.9 Å²	66.9	33%	0.331	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	147.7	178.2	0	0	0	0	0	110.2	H35	H35-A97 HydrophobicContact CB-CB 4.49Å; H35-A97 PolarHBondContact N-O 3.4Å; H35-A97 PolarHBondContact O-N 2.61Å
98	R	91.6	Very high	95.7	Very high	115 Å²	115	67.4 Å²	67.4	43%	0.434	37%	0.374	S	S	.	.			trans	-112.7	0	171.2	-177.8	-146.1	68.6	-170.2	1.2	109.3	V2 L4 Y27 Y32	V2-R98 VanDerWaalsContact CG1-NH1 3.29Å; L4-R98 HydrophobicContact CD1-CB 4.42Å; Y27-R98 VanDerWaalsContact CB-NH1 3.34Å; Y27-R98 HydrophobicContact CD2-CG 4.42Å; Y27-R98 HydrophobicContact CE2-CG 3.7Å; Y32-R98 HydrophobicContact CD1-CG 4.43Å; Y32-R98 HydrophobicContact CG-CG 4.04Å

Retrieved 98 of 98 residues in 64.9 ms (Link to these results)

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