A0A075B5V1_MOUSE Loading...

Immunoglobulin heavy variable 1-31

AlphaFold DB , UniProt , Accession A0A075B5V1, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-31, Length 98 aa.

						>A0A075B5V1_MOUSE|A0A075B5V1|Ighv1-31
EVQLQQSGPELVKPGASVKISCKASGYSFTGYYMHWVKQSHGNILDWIGYIYPYNGVSSYNQKFKGKATLTVDKSSSTAYMELRSLTSEDSAVYYCAR
					

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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	88.2	Confident	96	Very high	198 Å²	198	103.4 Å²	103.4	93%	0.925	56%	0.563	S	S	*	*				0	142.2	0	-171.7	177.6	179.2	0	0	108.9	G26	E1-G26 WeakPolarHBondContact O-CA 3.39Å
2	V	93.7	Very high	95.9	Very high	75 Å²	75	99.7 Å²	99.7	46%	0.455	55%	0.545	S	S	.	.			trans	-78.3	134.8	179.6	172.9	0	0	0	0	109.6	Y27	V2-Y27 HydrophobicContact CB-CD1 4.28Å; V2-Y27 HydrophobicContact CG1-CD1 3.64Å; V2-Y27 HydrophobicContact CG1-CE1 3.81Å; V2-Y27 HydrophobicContact CG2-CD1 3.96Å; V2-Y27 HydrophobicContact CG2-CG 4.23Å
3	Q	97.6	Very high	95.9	Very high	97 Å²	97	105.3 Å²	105.3	45%	0.453	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133	132.5	-180	-65.3	-65	-22.5	0	0	110.7	S25	Q3-S25 PolarHBondContact N-O 3.29Å; Q3-S25 PolarHBondContact O-N 3.5Å
4	L	98.2	Very high	95.9	Very high	52 Å²	52	105.9 Å²	105.9	27%	0.272	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.9	114.9	175.5	-61.2	-177.4	0	0	0	109.2	K23 A24 Y27 M34 R98	L4-K23 WeakPolarHBondContact CA-O 3.23Å; L4-A24 HydrophobicContact CD2-CB 3.83Å; L4-Y27 HydrophobicContact CD2-CE1 4.31Å; L4-M34 HydrophobicContact CD2-CE 3.87Å; L4-R98 HydrophobicContact CD1-CB 4.23Å
5	Q	98.4	Very high	95.9	Very high	138 Å²	138	102.5 Å²	102.5	65%	0.645	57%	0.573	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.2	113	-179.7	-174.5	177.3	30.4	0	0	110	C22 K23	Q5-C22 WeakPolarHBondContact O-CA 3.25Å; Q5-K23 HydrophobicContact CB-CB 4.46Å; Q5-K23 PolarHBondContact N-O 3.14Å; Q5-K23 PolarHBondContact O-N 3.15Å
6	Q	98.5	Very high	96.1	Very high	61 Å²	61	98.3 Å²	98.3	29%	0.285	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.8	155.2	178.9	-71.2	-174.6	-126.4	0	0	112.8	S21 C22 Y94 Y95 C96	Q6-S21 CarbonylContact C-O 3.56Å; Q6-S21 VanDerWaalsContact CA-O 3.22Å; Q6-S21 WeakPolarHBondContact CA-O 3.12Å; Q6-C22 HydrophobicContact CG-CB 4.25Å; Q6-Y94 PolarHBondContact NE2-O 3.05Å; Q6-Y95 VanDerWaalsContact OE1-CA 3.31Å; Q6-C96 WeakPolarHBondContact CG-SG 3.39Å
7	S	97.7	Very high	96.2	Very high	37 Å²	37	95.9 Å²	95.9	26%	0.259	55%	0.547	S	S	.	.			trans	-61.4	154.6	165.9	51.7	0	0	0	0	110.7	I20 S21	S7-I20 WeakPolarHBondContact OG-CA 3.46Å; S7-S21 WeakPolarHBondContact CB-OG 3.24Å; S7-S21 PolarHBondContact N-O 2.98Å; S7-S21 PolarHBondContact OG-N 2.82Å; S7-S21 VanDerWaalsContact OG-N 3.08Å
8	G	96.2	Very high	96.3	Very high	53 Å²	53	91.4 Å²	91.4	55%	0.546	52%	0.522	S	S	.	.			trans	-67.9	177.7	178.8	0	0	0	0	0	113.6
9	P	96.2	Very high	96.4	Very high	140 Å²	140	92.6 Å²	92.6	91%	0.909	52%	0.52	S	S	*	.			trans	-64.4	144	176.1	29.1	-35	0	0	0	111
10	E	95.5	Very high	96.5	Very high	105 Å²	105	88.9 Å²	88.9	49%	0.491	50%	0.499	S	S	.	.			trans	-124.9	130.6	177	-68.5	-171.2	-141	0	0	110.4	V12 V18	E10-V12 HydrophobicContact CB-CG1 4.39Å; E10-V18 HydrophobicContact CB-CG2 3.86Å; E10-V18 HydrophobicContact CG-CG2 4.24Å; E10-V18 VanDerWaalsContact OE2-CG2 3.24Å; E10-V18 WeakPolarHBondContact OE2-CG2 3.36Å
11	L	95.8	Very high	96.6	Very high	181 Å²	181	86.2 Å²	86.2	95%	0.948	49%	0.486	S	S	*	.			trans	-101.5	114.9	171.7	-175.9	67.3	0	0	0	108.7
12	V	95	Very high	97.1	Very high	59 Å²	59	76.8 Å²	76.8	36%	0.358	44%	0.442	S	S	.	.			trans	-130.4	156.7	-174	-65.2	0	0	0	0	110.9	E10 V18 L86	E10-V12 HydrophobicContact CB-CG1 4.39Å; V12-V18 HydrophobicContact CG1-CG2 4.45Å; V12-V18 HydrophobicContact CG2-CB 4.5Å; V12-L86 HydrophobicContact CB-CD1 4.41Å; V12-L86 HydrophobicContact CG2-CD1 3.32Å
13	K	95.4	Very high	97.3	Very high	173 Å²	173	78.3 Å²	78.3	75%	0.752	44%	0.443	S	S	*	.			trans	-77.7	151.3	180	-64.1	-178.7	-177.7	178.8	0	111	A16	K13-A16 WeakPolarHBondContact O-CB 3.37Å; K13-A16 PolarHBondContact O-N 3.35Å; K13-A16 VanDerWaalsContact O-N 3.14Å
14	P	95.9	Very high	97.3	Very high	114 Å²	114	74 Å²	74	74%	0.74	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	142.5	167.8	-25.1	34.7	0	0	0	111.8	A16 L86	P14-A16 PolarHBondContact O-N 2.77Å; P14-L86 CarbonylContact C-O 3.58Å; P14-L86 WeakPolarHBondContact CA-O 3.16Å
15	G	97	Very high	97.3	Very high	54 Å²	54	74.5 Å²	74.5	56%	0.557	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-14.5	-176.2	0	0	0	0	0	115	L86	G15-L86 PolarHBondContact N-O 2.94Å
16	A	97.8	Very high	97.2	Very high	36 Å²	36	70.6 Å²	70.6	30%	0.298	43%	0.428	S	S	.	.			trans	-71.8	176	175.5	0	0	0	0	0	111.9	K13 P14 S85 L86	K13-A16 WeakPolarHBondContact O-CB 3.37Å; K13-A16 PolarHBondContact O-N 3.35Å; K13-A16 VanDerWaalsContact O-N 3.14Å; P14-A16 PolarHBondContact O-N 2.77Å; A16-S85 PolarHBondContact O-N 2.86Å; A16-L86 VanDerWaalsContact O-CG 3.25Å; A16-L86 WeakPolarHBondContact O-CG 3.4Å; A16-L86 PolarHBondContact O-N 3.48Å
17	S	97.7	Very high	97.1	Very high	58 Å²	58	70 Å²	70	41%	0.406	42%	0.424	S	S	.	.			trans	-113.1	153.7	169.4	-56.2	0	0	0	0	110.4	L83	S17-L83 CarbonylContact C-O 3.51Å; S17-L83 WeakPolarHBondContact CA-O 3.44Å; S17-L83 WeakPolarHBondContact CB-O 3.36Å
18	V	98	Very high	97	Very high	15 Å²	15	71.4 Å²	71.4	9%	0.091	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	144.3	174.6	68.3	0	0	0	0	109.3	E10 V12 E82 L83 L86	E10-V18 HydrophobicContact CB-CG2 3.86Å; E10-V18 HydrophobicContact CG-CG2 4.24Å; E10-V18 VanDerWaalsContact OE2-CG2 3.24Å; E10-V18 WeakPolarHBondContact OE2-CG2 3.36Å; V12-V18 HydrophobicContact CG1-CG2 4.45Å; V12-V18 HydrophobicContact CG2-CB 4.5Å; V18-E82 CarbonylContact O-C 3.59Å; V18-E82 VanDerWaalsContact O-CA 3.27Å; V18-E82 WeakPolarHBondContact O-CA 3.11Å; V18-L83 HydrophobicContact CG1-CB 3.95Å; V18-L83 HydrophobicContact CG1-CD1 4.34Å; V18-L83 PolarHBondContact N-O 2.93Å; V18-L83 PolarHBondContact O-N 2.89Å; V18-L86 HydrophobicContact CB-CD1 3.97Å; V18-L86 HydrophobicContact CG1-CD1 3.84Å; V18-L86 HydrophobicContact CG1-CD2 4.26Å
19	K	98.1	Very high	97.1	Very high	113 Å²	113	69.3 Å²	69.3	49%	0.491	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	107.7	179.2	-172.9	-179.6	-177.7	-177.6	0	110.8	Y80	K19-Y80 HydrophobicContact CD-CD1 4.39Å; K19-Y80 VanDerWaalsContact CE-CD1 3.49Å; K19-Y80 HydrophobicContact CG-CD1 4.38Å
20	I	98.5	Very high	97.1	Very high	18 Å²	18	65.1 Å²	65.1	9%	0.092	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132.6	-179.1	-59.1	159	0	0	0	108.8	S7 W36 Y80 M81 Y94	S7-I20 WeakPolarHBondContact OG-CA 3.46Å; I20-W36 HydrophobicContact CB-CH2 4.38Å; I20-W36 HydrophobicContact CB-CZ3 4.26Å; I20-W36 HydrophobicContact CG2-CH2 3.88Å; I20-W36 HydrophobicContact CG2-CZ3 3.64Å; I20-Y80 CarbonylContact O-C 3.48Å; I20-Y80 WeakPolarHBondContact O-CA 3.13Å; I20-M81 HydrophobicContact CD1-CE 3.58Å; I20-M81 PolarHBondContact N-O 3.04Å; I20-M81 PolarHBondContact O-N 3.35Å; I20-Y94 HydrophobicContact CD1-CD2 3.97Å; I20-Y94 HydrophobicContact CD1-CG 3.88Å
21	S	98.6	Very high	97.2	Very high	34 Å²	34	61.8 Å²	61.8	24%	0.238	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	149.7	174.9	67.3	0	0	0	0	111.5	Q6 S7 A79 Y80	Q6-S21 CarbonylContact C-O 3.56Å; Q6-S21 VanDerWaalsContact CA-O 3.22Å; Q6-S21 WeakPolarHBondContact CA-O 3.12Å; S7-S21 WeakPolarHBondContact CB-OG 3.24Å; S7-S21 PolarHBondContact N-O 2.98Å; S7-S21 PolarHBondContact OG-N 2.82Å; S7-S21 VanDerWaalsContact OG-N 3.08Å; S21-A79 CarbonylContact C-O 3.47Å; S21-Y80 VanDerWaalsContact CB-CE1 3.47Å
22	C	98.8	Very high	97.2	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	103.5	171.1	176	0	0	0	0	109.8	Q5 Q6 W36 T78 A79 C96	Q5-C22 WeakPolarHBondContact O-CA 3.25Å; Q6-C22 HydrophobicContact CG-CB 4.25Å; C22-W36 HydrophobicContact CB-CH2 3.58Å; C22-W36 HydrophobicContact CB-CZ2 3.82Å; C22-W36 HydrophobicContact CB-CZ3 4.46Å; C22-T78 WeakPolarHBondContact O-CA 3.44Å; C22-A79 PolarHBondContact N-O 3.29Å; C22-A79 PolarHBondContact O-N 3.21Å; C22-C96 HydrophobicContact CB-CB 3.44Å; C22-C96 VanDerWaalsContact CB-CB 3.44Å; C22-C96 WeakPolarHBondContact CB-SG 2.99Å; C22-C96 WeakPolarHBondContact SG-CB 3.12Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 3.4Å
23	K	98.6	Very high	97.4	Very high	107 Å²	107	61.4 Å²	61.4	47%	0.465	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	126.4	177.3	-175.1	176	-177.5	179.9	0	109.8	L4 Q5 T78	L4-K23 WeakPolarHBondContact CA-O 3.23Å; Q5-K23 HydrophobicContact CB-CB 4.46Å; Q5-K23 PolarHBondContact N-O 3.14Å; Q5-K23 PolarHBondContact O-N 3.15Å; K23-T78 HydrophobicContact CB-CG2 4.45Å
24	A	98.3	Very high	97.5	Very high	5 Å²	5	53.1 Å²	53.1	4%	0.041	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	140.2	-178.7	0	0	0	0	0	111.8	L4 Y27 F29 M34 S77	L4-A24 HydrophobicContact CD2-CB 3.83Å; A24-Y27 HydrophobicContact CB-CE1 3.75Å; A24-Y27 WeakPolarHBondContact CB-OH 3.4Å; A24-F29 HydrophobicContact CB-CD2 3.5Å; A24-F29 HydrophobicContact CB-CE2 4.06Å; A24-F29 HydrophobicContact CB-CG 4.32Å; A24-M34 HydrophobicContact CB-CE 4.19Å; A24-S77 PolarHBondContact N-O 2.92Å; A24-S77 WeakPolarHBondContact O-CB 3.48Å
25	S	97.8	Very high	97.7	Very high	63 Å²	63	50.5 Å²	50.5	44%	0.441	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	164.4	171.3	60.7	0	0	0	0	111.6	Q3 Y27	Q3-S25 PolarHBondContact N-O 3.29Å; Q3-S25 PolarHBondContact O-N 3.5Å; S25-Y27 WeakPolarHBondContact O-CD1 3.32Å
26	G	96.8	Very high	97.7	Very high	56 Å²	56	47.9 Å²	47.9	58%	0.577	27%	0.271	S	S	*	.	S	Bend	trans	85.2	8.1	178.5	0	0	0	0	0	115.8	E1	E1-G26 WeakPolarHBondContact O-CA 3.39Å
27	Y	95.4	Very high	97.8	Very high	50 Å²	50	47.4 Å²	47.4	20%	0.196	26%	0.264	C	S	.	.	S	Bend	trans	-162.1	175.5	174.7	71.2	-76.1	0	0	0	111.4	V2 L4 A24 S25 F29 Y32 R98	V2-Y27 HydrophobicContact CB-CD1 4.28Å; V2-Y27 HydrophobicContact CG1-CD1 3.64Å; V2-Y27 HydrophobicContact CG1-CE1 3.81Å; V2-Y27 HydrophobicContact CG2-CD1 3.96Å; V2-Y27 HydrophobicContact CG2-CG 4.23Å; L4-Y27 HydrophobicContact CD2-CE1 4.31Å; A24-Y27 HydrophobicContact CB-CE1 3.75Å; A24-Y27 WeakPolarHBondContact CB-OH 3.4Å; S25-Y27 WeakPolarHBondContact O-CD1 3.32Å; Y27-F29 PolarHBondContact O-N 3.27Å; Y27-Y32 AromaticContact CD2-CD2 3.86Å; Y27-Y32 HydrophobicContact CD2-CD2 3.86Å; Y27-Y32 HydrophobicContact CD2-CE2 4.23Å; Y27-Y32 HydrophobicContact CE2-CD2 4.22Å; Y27-R98 HydrophobicContact CE2-CG 4.08Å; Y27-R98 PolarHBondContact OH-NE 3.49Å; Y27-R98 PolarHBondContact OH-NH2 3.21Å
28	S	96.1	Very high	97.8	Very high	66 Å²	66	45 Å²	45	46%	0.462	25%	0.246	S	C	.	.			trans	-72.9	93.4	177.2	-176.4	0	0	0	0	111.8	T30 G31 Y32	S28-T30 PolarHBondContact O-N 2.58Å; S28-G31 PolarHBondContact O-N 2.7Å; S28-Y32 WeakPolarHBondContact O-CD2 3.5Å
29	F	97.1	Very high	97.8	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.035	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-53.5	-39.2	-178.1	174.7	-114.4	0	0	0	113.3	A24 Y27 G31 M34 P53 V72 A79 R98	A24-F29 HydrophobicContact CB-CD2 3.5Å; A24-F29 HydrophobicContact CB-CE2 4.06Å; A24-F29 HydrophobicContact CB-CG 4.32Å; Y27-F29 PolarHBondContact O-N 3.27Å; F29-G31 VanDerWaalsContact C-N 3.33Å; F29-G31 PolarHBondContact O-N 2.93Å; F29-M34 HydrophobicContact CD2-CE 4.38Å; F29-M34 HydrophobicContact CE2-CE 3.94Å; F29-P53 HydrophobicContact CD1-CB 3.91Å; F29-P53 HydrophobicContact CD1-CG 4.37Å; F29-P53 HydrophobicContact CD2-CG 4.23Å; F29-P53 HydrophobicContact CE1-CB 3.52Å; F29-P53 HydrophobicContact CE1-CG 3.97Å; F29-P53 HydrophobicContact CE2-CB 4.3Å; F29-P53 HydrophobicContact CE2-CG 3.81Å; F29-P53 HydrophobicContact CG-CB 4.47Å; F29-P53 HydrophobicContact CZ-CB 3.74Å; F29-P53 HydrophobicContact CZ-CG 3.67Å; F29-P53 WeakPolarHBondContact O-CG 3.45Å; F29-V72 HydrophobicContact CZ-CB 4.44Å; F29-V72 HydrophobicContact CZ-CG1 4.2Å; F29-A79 HydrophobicContact CE2-CB 4.35Å; F29-A79 HydrophobicContact CZ-CB 4.24Å; F29-R98 PolarHBondContact O-NH2 2.99Å
30	T	97.5	Very high	97.5	Very high	52 Å²	52	42.1 Å²	42.1	32%	0.319	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-75.4	-18.8	179.6	53.7	0	0	0	0	113.5	S28 Y52 Y54	S28-T30 PolarHBondContact O-N 2.58Å; T30-Y52 WeakPolarHBondContact O-CE2 3.44Å; T30-Y54 VanDerWaalsContact O-CB 3.29Å; T30-Y54 WeakPolarHBondContact O-CB 3.21Å; T30-Y54 PolarHBondContact O-N 2.93Å
31	G	96.7	Very high	97	Very high	35 Å²	35	48.8 Å²	48.8	36%	0.361	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-87.5	-0.5	-173.4	0	0	0	0	0	116.6	S28 F29	S28-G31 PolarHBondContact O-N 2.7Å; F29-G31 VanDerWaalsContact C-N 3.33Å; F29-G31 PolarHBondContact O-N 2.93Å
32	Y	97.1	Very high	96.4	Very high	134 Å²	134	50.3 Å²	50.3	53%	0.525	29%	0.288	S	S	.	.	S	Bend	trans	-138.7	167.7	-175.6	-64.7	-93.9	0	0	0	111.2	Y27 S28 Y52 P53 R98	Y27-Y32 AromaticContact CD2-CD2 3.86Å; Y27-Y32 HydrophobicContact CD2-CD2 3.86Å; Y27-Y32 HydrophobicContact CD2-CE2 4.23Å; Y27-Y32 HydrophobicContact CE2-CD2 4.22Å; S28-Y32 WeakPolarHBondContact O-CD2 3.5Å; Y32-Y52 VanDerWaalsContact O-CD2 3.32Å; Y32-Y52 WeakPolarHBondContact O-CD2 3.4Å; Y32-P53 WeakPolarHBondContact O-CD 3.5Å; Y32-R98 VanDerWaalsContact CA-NH1 3.35Å; Y32-R98 VanDerWaalsContact CB-CD 3.42Å; Y32-R98 PolarHBondContact O-NH1 2.91Å
33	Y	98.1	Very high	95.7	Very high	98 Å²	98	56.3 Å²	56.3	38%	0.384	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-85.4	132.5	171.3	-65.3	-89.2	0	0	0	114.7	H35 Y50 Y52 R98	Y33-H35 PolarHBondContact O-CD2 2.96Å; Y33-Y50 AromaticContact CD1-CD2 3.47Å; Y33-Y50 HydrophobicContact CD1-CD2 3.47Å; Y33-Y50 VanDerWaalsContact CD1-CD2 3.47Å; Y33-Y50 AromaticContact CD1-CE2 3.74Å; Y33-Y50 HydrophobicContact CD1-CE2 3.74Å; Y33-Y50 HydrophobicContact CD1-CG 4.18Å; Y33-Y50 AromaticContact CE1-CD2 3.98Å; Y33-Y50 HydrophobicContact CE1-CD2 3.98Å; Y33-Y50 AromaticContact CE1-CE2 3.75Å; Y33-Y50 HydrophobicContact CE1-CE2 3.75Å; Y33-Y50 HydrophobicContact CG-CD2 4.39Å; Y33-Y52 HydrophobicContact CD1-CD2 4.33Å; Y33-Y52 HydrophobicContact CD1-CG 4.06Å; Y33-Y52 VanDerWaalsContact CE1-CB 3.44Å; Y33-Y52 HydrophobicContact CE1-CD1 4.22Å; Y33-Y52 HydrophobicContact CE1-CD2 4.39Å; Y33-Y52 AromaticContact CE1-CG 3.78Å; Y33-Y52 HydrophobicContact CE1-CG 3.78Å; Y33-Y52 HydrophobicContact CG-CD2 4.47Å; Y33-R98 VanDerWaalsContact CA-NH1 3.31Å; Y33-R98 PolarHBondContact O-NH1 2.98Å
34	M	98.4	Very high	95.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	120.4	173.7	-177.6	65.5	70.9	0	0	108.7	L4 A24 F29 Y50 I51 A79 C96	L4-M34 HydrophobicContact CD2-CE 3.87Å; A24-M34 HydrophobicContact CB-CE 4.19Å; F29-M34 HydrophobicContact CD2-CE 4.38Å; F29-M34 HydrophobicContact CE2-CE 3.94Å; M34-Y50 CarbonylContact O-C 3.53Å; M34-Y50 WeakPolarHBondContact O-CA 3.45Å; M34-Y50 WeakPolarHBondContact O-CB 3.3Å; M34-I51 HydrophobicContact CB-CG2 4.24Å; M34-I51 PolarHBondContact N-O 3.36Å; M34-I51 PolarHBondContact O-N 2.9Å; M34-A79 HydrophobicContact CB-CB 4.28Å; M34-A79 HydrophobicContact CG-CB 3.73Å; M34-C96 HydrophobicContact SD-CB 3.88Å
35	H	98.7	Very high	95.3	Very high	58 Å²	58	61.3 Å²	61.3	27%	0.269	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	151.3	179.3	-66.7	-105.5	0	0	0	110.8	Y33 W47 G49 Y50 C96 A97	Y33-H35 PolarHBondContact O-CD2 2.96Å; H35-W47 AromaticContact ND1-NE1 3.35Å; H35-W47 PolarHBondContact ND1-NE1 3.41Å; H35-G49 WeakPolarHBondContact CA-O 3.49Å; H35-Y50 AromaticContact CE1-CD1 3.86Å; H35-C96 CarbonylContact O-C 3.53Å; H35-C96 VanDerWaalsContact O-CA 3.28Å; H35-C96 WeakPolarHBondContact O-CA 3.37Å; H35-A97 HydrophobicContact CB-CB 4.33Å; H35-A97 PolarHBondContact N-O 3.18Å; H35-A97 PolarHBondContact O-N 3.38Å
36	W	98.8	Very high	95.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137.4	172	-69.2	90.1	0	0	0	110.3	I20 C22 I48 G49 L70 A79 M81 Y95 C96	I20-W36 HydrophobicContact CB-CH2 4.38Å; I20-W36 HydrophobicContact CB-CZ3 4.26Å; I20-W36 HydrophobicContact CG2-CH2 3.88Å; I20-W36 HydrophobicContact CG2-CZ3 3.64Å; C22-W36 HydrophobicContact CB-CH2 3.58Å; C22-W36 HydrophobicContact CB-CZ2 3.82Å; C22-W36 HydrophobicContact CB-CZ3 4.46Å; W36-I48 HydrophobicContact CB-CB 4.13Å; W36-I48 HydrophobicContact CB-CD1 4.29Å; W36-I48 WeakPolarHBondContact O-CB 3.49Å; W36-I48 PolarHBondContact O-N 2.93Å; W36-G49 PolarHBondContact N-O 2.82Å; W36-L70 VanDerWaalsContact CD1-CD2 3.46Å; W36-L70 HydrophobicContact CG-CD2 3.99Å; W36-A79 HydrophobicContact CZ2-CB 4.27Å; W36-M81 HydrophobicContact CB-SD 3.91Å; W36-M81 HydrophobicContact CD2-CB 3.73Å; W36-M81 HydrophobicContact CD2-CE 4.47Å; W36-M81 HydrophobicContact CD2-SD 4.11Å; W36-M81 HydrophobicContact CE3-CB 3.96Å; W36-M81 HydrophobicContact CE3-CE 3.88Å; W36-M81 HydrophobicContact CE3-SD 4.11Å; W36-M81 HydrophobicContact CG-CB 4.24Å; W36-M81 HydrophobicContact CG-SD 4.06Å; W36-M81 HydrophobicContact CH2-CB 4.16Å; W36-M81 HydrophobicContact CZ2-CB 3.97Å; W36-M81 HydrophobicContact CZ3-CB 4.17Å; W36-M81 HydrophobicContact CZ3-CE 4.35Å; W36-Y95 CarbonylContact C-O 3.58Å; W36-Y95 WeakPolarHBondContact CA-O 3.28Å; W36-C96 HydrophobicContact CD2-CB 4.21Å; W36-C96 HydrophobicContact CE3-CB 4Å; W36-C96 HydrophobicContact CH2-CB 4.02Å; W36-C96 HydrophobicContact CZ2-CB 4.2Å; W36-C96 HydrophobicContact CZ3-CB 3.9Å
37	V	98.5	Very high	95.3	Very high	26 Å²	26	61.3 Å²	61.3	16%	0.158	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	137.4	-175.9	-176.4	0	0	0	0	109.2	L45 D46 Y94 Y95	V37-L45 HydrophobicContact CG1-CB 4.05Å; V37-L45 HydrophobicContact CG1-CD2 4.05Å; V37-D46 WeakPolarHBondContact CA-O 3.48Å; V37-Y94 CarbonylContact O-C 3.59Å; V37-Y94 WeakPolarHBondContact O-CA 3.29Å; V37-Y95 PolarHBondContact N-O 2.66Å; V37-Y95 PolarHBondContact O-N 2.82Å
38	K	98	Very high	95.4	Very high	7 Å²	7	59 Å²	59	3%	0.03	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.9	170.4	-179.8	-176.9	177.8	-175.4	0	109	S40 L45 D46 I48 F64 E89 D90 A92 Y94	K38-S40 WeakPolarHBondContact CE-OG 3.27Å; K38-L45 WeakPolarHBondContact O-CA 3.44Å; K38-D46 HydrophobicContact CB-CB 4.27Å; K38-D46 PolarHBondContact N-O 3.07Å; K38-D46 PolarHBondContact O-N 2.66Å; K38-I48 HydrophobicContact CB-CD1 3.99Å; K38-I48 HydrophobicContact CB-CG1 4.17Å; K38-F64 HydrophobicContact CB-CE1 4.45Å; K38-F64 HydrophobicContact CB-CZ 4.12Å; K38-F64 HydrophobicContact CD-CE1 3.9Å; K38-F64 HydrophobicContact CD-CZ 3.89Å; K38-E89 WeakPolarHBondContact CE-O 3.36Å; K38-E89 PolarHBondContact NZ-O 2.79Å; K38-D90 IonicContact NZ-OD1 2.74Å; K38-A92 HydrophobicContact CD-CB 4.07Å; K38-A92 HydrophobicContact CG-CB 3.54Å; K38-Y94 HydrophobicContact CB-CD1 3.97Å; K38-Y94 HydrophobicContact CB-CE1 3.73Å; K38-Y94 HydrophobicContact CD-CE1 3.93Å; K38-Y94 HydrophobicContact CG-CD1 4.17Å; K38-Y94 HydrophobicContact CG-CE1 3.64Å
39	Q	97.4	Very high	95.5	Very high	42 Å²	42	55.8 Å²	55.8	20%	0.196	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	105.1	168.2	-174.2	-180	30.8	0	0	109	N43 I44 L45 A92 V93 Y95	Q39-N43 PolarHBondContact NE2-OD1 3.19Å; Q39-I44 WeakPolarHBondContact CA-O 3.42Å; Q39-L45 HydrophobicContact CB-CD2 3.68Å; Q39-L45 HydrophobicContact CG-CD2 3.78Å; Q39-A92 VanDerWaalsContact O-CB 3.32Å; Q39-A92 WeakPolarHBondContact O-CB 3.41Å; Q39-V93 HydrophobicContact CB-CB 4.41Å; Q39-V93 PolarHBondContact N-O 2.84Å; Q39-V93 PolarHBondContact O-N 2.83Å; Q39-Y95 HydrophobicContact CB-CD2 4.25Å; Q39-Y95 HydrophobicContact CB-CE2 3.74Å; Q39-Y95 HydrophobicContact CG-CE2 4.5Å; Q39-Y95 PolarHBondContact OE1-OH 2.7Å
40	S	93.1	Very high	95.6	Very high	26 Å²	26	58.4 Å²	58.4	18%	0.182	30%	0.304	C	S	.	.			trans	-81.6	167.3	177.9	-56.7	0	0	0	0	111.3	K38 G42 N43 I44	K38-S40 WeakPolarHBondContact CE-OG 3.27Å; S40-G42 PolarHBondContact O-N 3.3Å; S40-N43 PolarHBondContact O-N 3Å; S40-N43 VanDerWaalsContact O-N 3.11Å; S40-I44 PolarHBondContact N-O 3.11Å
41	H	86.9	Confident	95.7	Very high	158 Å²	158	56.2 Å²	56.2	73%	0.731	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	129.9	169.2	-62.7	-79.1	0	0	0	110.2
42	G	87.2	Confident	95.7	Very high	66 Å²	66	56.9 Å²	56.9	68%	0.68	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.5	7.4	-172.4	0	0	0	0	0	115.4	S40 I44	S40-G42 PolarHBondContact O-N 3.3Å; G42-I44 PolarHBondContact O-N 3.28Å
43	N	83	Confident	95.8	Very high	126 Å²	126	50.5 Å²	50.5	67%	0.674	26%	0.257	S	S	*	.	S	Bend	trans	64.7	19.2	178.7	-56.7	-57.2	0	0	0	114.8	Q39 S40 L45	Q39-N43 PolarHBondContact NE2-OD1 3.19Å; S40-N43 PolarHBondContact O-N 3Å; S40-N43 VanDerWaalsContact O-N 3.11Å; N43-L45 PolarHBondContact O-N 2.84Å
44	I	91.7	Very high	95.8	Very high	106 Å²	106	52.9 Å²	52.9	54%	0.544	27%	0.267	S	S	.	.			trans	-74.1	122.6	173.4	-62.3	170.1	0	0	0	108.4	Q39 S40 G42	Q39-I44 WeakPolarHBondContact CA-O 3.42Å; S40-I44 PolarHBondContact N-O 3.11Å; G42-I44 PolarHBondContact O-N 3.28Å
45	L	96.2	Very high	95.8	Very high	110 Å²	110	57.2 Å²	57.2	58%	0.576	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	115.1	176.3	-62.9	178	0	0	0	110.1	V37 K38 Q39 N43	V37-L45 HydrophobicContact CG1-CB 4.05Å; V37-L45 HydrophobicContact CG1-CD2 4.05Å; K38-L45 WeakPolarHBondContact O-CA 3.44Å; Q39-L45 HydrophobicContact CB-CD2 3.68Å; Q39-L45 HydrophobicContact CG-CD2 3.78Å; N43-L45 PolarHBondContact O-N 2.84Å
46	D	96.4	Very high	95.7	Very high	34 Å²	34	56 Å²	56	18%	0.182	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	115.4	172.4	-80.3	-34	0	0	0	109.2	V37 K38 I48 K63 F64	V37-D46 WeakPolarHBondContact CA-O 3.48Å; K38-D46 HydrophobicContact CB-CB 4.27Å; K38-D46 PolarHBondContact N-O 3.07Å; K38-D46 PolarHBondContact O-N 2.66Å; D46-I48 PolarHBondContact O-N 2.82Å; D46-K63 IonicContact OD2-NZ 2.93Å; D46-K63 PolarHBondContact OD2-NZ 2.97Å; D46-F64 HydrophobicContact CB-CE2 3.97Å; D46-F64 HydrophobicContact CB-CZ 3.95Å
47	W	98.1	Very high	95.7	Very high	86 Å²	86	59.4 Å²	59.4	33%	0.326	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	127.7	170.4	178.1	72.1	0	0	0	110.1	H35 G49 Y50 N61	H35-W47 AromaticContact ND1-NE1 3.35Å; H35-W47 PolarHBondContact ND1-NE1 3.41Å; W47-G49 VanDerWaalsContact CE2-C 3.46Å; W47-G49 VanDerWaalsContact CE2-CA 3.47Å; W47-G49 PolarHBondContact NE1-O 2.87Å; W47-Y50 HydrophobicContact CH2-CD1 4.16Å; W47-Y50 HydrophobicContact CH2-CE1 4.42Å; W47-Y50 AromaticContact CZ2-CD1 3.5Å; W47-Y50 HydrophobicContact CZ2-CD1 3.5Å; W47-Y50 HydrophobicContact CZ2-CE1 4.18Å; W47-Y50 HydrophobicContact CZ2-CG 4.23Å; W47-N61 HydrophobicContact CE3-CB 3.79Å; W47-N61 HydrophobicContact CZ3-CB 3.97Å; W47-N61 WeakPolarHBondContact O-CB 3Å; W47-N61 PolarHBondContact O-ND2 2.89Å
48	I	98.6	Very high	95.7	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-49.6	-177.6	-60.8	175.3	0	0	0	110.4	W36 K38 D46 Y60 N61 F64 A68 M81 Y94	W36-I48 HydrophobicContact CB-CB 4.13Å; W36-I48 HydrophobicContact CB-CD1 4.29Å; W36-I48 WeakPolarHBondContact O-CB 3.49Å; W36-I48 PolarHBondContact O-N 2.93Å; K38-I48 HydrophobicContact CB-CD1 3.99Å; K38-I48 HydrophobicContact CB-CG1 4.17Å; D46-I48 PolarHBondContact O-N 2.82Å; I48-Y60 WeakPolarHBondContact O-CA 3.41Å; I48-N61 PolarHBondContact O-N 2.91Å; I48-F64 HydrophobicContact CB-CD2 4.24Å; I48-F64 HydrophobicContact CB-CG 4.21Å; I48-F64 HydrophobicContact CD1-CE1 4.38Å; I48-F64 HydrophobicContact CG1-CD1 4.05Å; I48-F64 HydrophobicContact CG1-CD2 4.12Å; I48-F64 HydrophobicContact CG1-CE1 3.93Å; I48-F64 HydrophobicContact CG1-CE2 3.98Å; I48-F64 HydrophobicContact CG1-CG 4.14Å; I48-F64 HydrophobicContact CG1-CZ 3.88Å; I48-F64 HydrophobicContact CG2-CB 3.8Å; I48-F64 HydrophobicContact CG2-CD1 4.1Å; I48-F64 HydrophobicContact CG2-CD2 4.31Å; I48-F64 HydrophobicContact CG2-CG 3.82Å; I48-A68 HydrophobicContact CG2-CB 3.77Å; I48-M81 HydrophobicContact CD1-CE 3.95Å; I48-M81 HydrophobicContact CD1-SD 3.48Å; I48-M81 WeakPolarHBondContact CD1-SD 3.44Å; I48-M81 HydrophobicContact CG2-SD 4.01Å; I48-Y94 HydrophobicContact CD1-CD1 3.68Å; I48-Y94 HydrophobicContact CD1-CE1 3.84Å
49	G	98.7	Very high	95.7	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.3	176.8	-167.9	0	0	0	0	0	112.9	H35 W36 W47 S59	H35-G49 WeakPolarHBondContact CA-O 3.49Å; W36-G49 PolarHBondContact N-O 2.82Å; W47-G49 VanDerWaalsContact CE2-C 3.46Å; W47-G49 VanDerWaalsContact CE2-CA 3.47Å; W47-G49 PolarHBondContact NE1-O 2.87Å; G49-S59 CarbonylContact C-O 3.55Å; G49-S59 WeakPolarHBondContact CA-O 3.06Å
50	Y	98.7	Very high	95.7	Very high	63 Å²	63	63.2 Å²	63.2	25%	0.247	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	160.1	167.1	64.9	-114.4	0	0	0	110.8	Y33 M34 H35 W47 S58 S59 L70	Y33-Y50 AromaticContact CD1-CD2 3.47Å; Y33-Y50 HydrophobicContact CD1-CD2 3.47Å; Y33-Y50 VanDerWaalsContact CD1-CD2 3.47Å; Y33-Y50 AromaticContact CD1-CE2 3.74Å; Y33-Y50 HydrophobicContact CD1-CE2 3.74Å; Y33-Y50 HydrophobicContact CD1-CG 4.18Å; Y33-Y50 AromaticContact CE1-CD2 3.98Å; Y33-Y50 HydrophobicContact CE1-CD2 3.98Å; Y33-Y50 AromaticContact CE1-CE2 3.75Å; Y33-Y50 HydrophobicContact CE1-CE2 3.75Å; Y33-Y50 HydrophobicContact CG-CD2 4.39Å; M34-Y50 CarbonylContact O-C 3.53Å; M34-Y50 WeakPolarHBondContact O-CA 3.45Å; M34-Y50 WeakPolarHBondContact O-CB 3.3Å; H35-Y50 AromaticContact CE1-CD1 3.86Å; W47-Y50 HydrophobicContact CH2-CD1 4.16Å; W47-Y50 HydrophobicContact CH2-CE1 4.42Å; W47-Y50 AromaticContact CZ2-CD1 3.5Å; W47-Y50 HydrophobicContact CZ2-CD1 3.5Å; W47-Y50 HydrophobicContact CZ2-CE1 4.18Å; W47-Y50 HydrophobicContact CZ2-CG 4.23Å; Y50-S58 WeakPolarHBondContact O-CA 3.41Å; Y50-S58 VanDerWaalsContact O-CB 3.25Å; Y50-S58 WeakPolarHBondContact O-CB 3.37Å; Y50-S59 VanDerWaalsContact CZ-CB 3.43Å; Y50-S59 PolarHBondContact N-O 2.81Å; Y50-S59 PolarHBondContact O-N 2.94Å; Y50-S59 VanDerWaalsContact O-N 3.08Å; Y50-L70 WeakPolarHBondContact O-CD1 3.42Å
51	I	98.7	Very high	96	Very high	6 Å²	6	64.5 Å²	64.5	3%	0.031	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.3	167.1	-175	159.6	0	0	0	110.2	M34 P53 V57 L70 V72	M34-I51 HydrophobicContact CB-CG2 4.24Å; M34-I51 PolarHBondContact N-O 3.36Å; M34-I51 PolarHBondContact O-N 2.9Å; I51-P53 WeakPolarHBondContact O-CD 3.4Å; I51-V57 CarbonylContact C-O 3.53Å; I51-V57 WeakPolarHBondContact CA-O 2.98Å; I51-L70 HydrophobicContact CB-CB 4.02Å; I51-L70 HydrophobicContact CB-CD1 4.35Å; I51-L70 HydrophobicContact CD1-CB 4.22Å; I51-L70 WeakPolarHBondContact CD1-O 3.38Å; I51-L70 HydrophobicContact CG2-CB 4.16Å; I51-V72 HydrophobicContact CD1-CG1 3.95Å; I51-V72 HydrophobicContact CD1-CG2 4.32Å; I51-V72 HydrophobicContact CG1-CG1 4.03Å; I51-V72 HydrophobicContact CG2-CG1 3.75Å
52	Y	98.4	Very high	96.5	Very high	48 Å²	48	65.3 Å²	65.3	19%	0.188	35%	0.347	C	S	.	.			trans	-89.2	111.3	173.5	-167.3	-160.6	0	0	0	109.9	T30 Y32 Y33 Y54 N55 G56 V57	T30-Y52 WeakPolarHBondContact O-CE2 3.44Å; Y32-Y52 VanDerWaalsContact O-CD2 3.32Å; Y32-Y52 WeakPolarHBondContact O-CD2 3.4Å; Y33-Y52 HydrophobicContact CD1-CD2 4.33Å; Y33-Y52 HydrophobicContact CD1-CG 4.06Å; Y33-Y52 VanDerWaalsContact CE1-CB 3.44Å; Y33-Y52 HydrophobicContact CE1-CD1 4.22Å; Y33-Y52 HydrophobicContact CE1-CD2 4.39Å; Y33-Y52 AromaticContact CE1-CG 3.78Å; Y33-Y52 HydrophobicContact CE1-CG 3.78Å; Y33-Y52 HydrophobicContact CG-CD2 4.47Å; Y52-Y54 HydrophobicContact CE1-CD1 4.05Å; Y52-Y54 HydrophobicContact CE1-CG 4.17Å; Y52-Y54 VanDerWaalsContact CZ-CB 3.41Å; Y52-Y54 PolarHBondContact O-N 2.99Å; Y52-Y54 VanDerWaalsContact O-N 3.13Å; Y52-N55 VanDerWaalsContact CD1-OD1 3.27Å; Y52-N55 WeakPolarHBondContact CD1-OD1 3.43Å; Y52-N55 PolarHBondContact O-N 3.08Å; Y52-G56 VanDerWaalsContact O-CA 3.3Å; Y52-G56 WeakPolarHBondContact O-CA 3.22Å; Y52-G56 PolarHBondContact O-N 2.83Å; Y52-V57 PolarHBondContact N-O 2.74Å
53	P	98.4	Very high	96.8	Very high	0 Å²	0	68 Å²	68	0%	0	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.7	-175.1	-19	34.1	0	0	0	113.8	F29 Y32 I51 V72 K74	F29-P53 HydrophobicContact CD1-CB 3.91Å; F29-P53 HydrophobicContact CD1-CG 4.37Å; F29-P53 HydrophobicContact CD2-CG 4.23Å; F29-P53 HydrophobicContact CE1-CB 3.52Å; F29-P53 HydrophobicContact CE1-CG 3.97Å; F29-P53 HydrophobicContact CE2-CB 4.3Å; F29-P53 HydrophobicContact CE2-CG 3.81Å; F29-P53 HydrophobicContact CG-CB 4.47Å; F29-P53 HydrophobicContact CZ-CB 3.74Å; F29-P53 HydrophobicContact CZ-CG 3.67Å; F29-P53 WeakPolarHBondContact O-CG 3.45Å; Y32-P53 WeakPolarHBondContact O-CD 3.5Å; I51-P53 WeakPolarHBondContact O-CD 3.4Å; P53-V72 HydrophobicContact CB-CB 4.29Å; P53-V72 HydrophobicContact CB-CG1 3.94Å; P53-V72 HydrophobicContact CB-CG2 4.46Å; P53-V72 HydrophobicContact CG-CG1 4.01Å; P53-K74 WeakPolarHBondContact O-CE 3.45Å
54	Y	98.1	Very high	97.5	Very high	149 Å²	149	62.2 Å²	62.2	58%	0.584	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-51.8	174.4	-175.1	-115.2	0	0	0	112.7	T30 Y52 K74	T30-Y54 VanDerWaalsContact O-CB 3.29Å; T30-Y54 WeakPolarHBondContact O-CB 3.21Å; T30-Y54 PolarHBondContact O-N 2.93Å; Y52-Y54 HydrophobicContact CE1-CD1 4.05Å; Y52-Y54 HydrophobicContact CE1-CG 4.17Å; Y52-Y54 VanDerWaalsContact CZ-CB 3.41Å; Y52-Y54 PolarHBondContact O-N 2.99Å; Y52-Y54 VanDerWaalsContact O-N 3.13Å; Y54-K74 PolarHBondContact O-NZ 2.89Å
55	N	97.5	Very high	97.7	Very high	91 Å²	91	64.8 Å²	64.8	49%	0.487	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	1.4	-170.5	64	5.1	0	0	0	114	Y52 V57	Y52-N55 VanDerWaalsContact CD1-OD1 3.27Å; Y52-N55 WeakPolarHBondContact CD1-OD1 3.43Å; Y52-N55 PolarHBondContact O-N 3.08Å; N55-V57 VanDerWaalsContact C-N 3.27Å; N55-V57 PolarHBondContact O-N 2.74Å; N55-V57 WeakPolarHBondContact OD1-CB 3.29Å; N55-V57 VanDerWaalsContact OD1-CG2 3.28Å; N55-V57 WeakPolarHBondContact OD1-CG2 3.42Å; N55-V57 PolarHBondContact OD1-N 2.83Å; N55-V57 VanDerWaalsContact OD1-N 3.09Å
56	G	97.1	Very high	97.6	Very high	33 Å²	33	63.1 Å²	63.1	34%	0.34	33%	0.326	S	S	.	.			trans	77.4	5.7	178.7	0	0	0	0	0	114.7	Y52 S58	Y52-G56 VanDerWaalsContact O-CA 3.3Å; Y52-G56 WeakPolarHBondContact O-CA 3.22Å; Y52-G56 PolarHBondContact O-N 2.83Å; G56-S58 PolarHBondContact O-N 2.75Å
57	V	98.3	Very high	97.6	Very high	71 Å²	71	63.6 Å²	63.6	43%	0.43	33%	0.326	S	S	.	.			trans	-57.9	125.1	175.8	168	0	0	0	0	109.2	I51 Y52 N55	I51-V57 CarbonylContact C-O 3.53Å; I51-V57 WeakPolarHBondContact CA-O 2.98Å; Y52-V57 PolarHBondContact N-O 2.74Å; N55-V57 VanDerWaalsContact C-N 3.27Å; N55-V57 PolarHBondContact O-N 2.74Å; N55-V57 WeakPolarHBondContact OD1-CB 3.29Å; N55-V57 VanDerWaalsContact OD1-CG2 3.28Å; N55-V57 WeakPolarHBondContact OD1-CG2 3.42Å; N55-V57 PolarHBondContact OD1-N 2.83Å; N55-V57 VanDerWaalsContact OD1-N 3.09Å
58	S	98.2	Very high	97.6	Very high	49 Å²	49	59.7 Å²	59.7	34%	0.343	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	148.1	-178.3	65.6	0	0	0	0	111.7	Y50 G56 Y60	Y50-S58 WeakPolarHBondContact O-CA 3.41Å; Y50-S58 VanDerWaalsContact O-CB 3.25Å; Y50-S58 WeakPolarHBondContact O-CB 3.37Å; G56-S58 PolarHBondContact O-N 2.75Å; S58-Y60 WeakPolarHBondContact OG-CE2 3.43Å
59	S	98.4	Very high	97.6	Very high	46 Å²	46	61.8 Å²	61.8	32%	0.322	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	153.3	170.8	-172.6	0	0	0	0	109.9	G49 Y50	G49-S59 CarbonylContact C-O 3.55Å; G49-S59 WeakPolarHBondContact CA-O 3.06Å; Y50-S59 VanDerWaalsContact CZ-CB 3.43Å; Y50-S59 PolarHBondContact N-O 2.81Å; Y50-S59 PolarHBondContact O-N 2.94Å; Y50-S59 VanDerWaalsContact O-N 3.08Å
60	Y	98.7	Very high	97.7	Very high	60 Å²	60	62.2 Å²	62.2	24%	0.235	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.4	-174.9	-61.3	-97.7	0	0	0	110	I48 S58 A68 L70	I48-Y60 WeakPolarHBondContact O-CA 3.41Å; S58-Y60 WeakPolarHBondContact OG-CE2 3.43Å; Y60-A68 HydrophobicContact CD1-CB 4.31Å; Y60-A68 HydrophobicContact CE1-CB 4.21Å; Y60-A68 VanDerWaalsContact CE1-O 3.29Å; Y60-A68 WeakPolarHBondContact CE1-O 3.44Å; Y60-L70 HydrophobicContact CE1-CB 4.5Å; Y60-L70 HydrophobicContact CE1-CD1 4.16Å; Y60-L70 HydrophobicContact CE1-CG 3.71Å; Y60-L70 PolarHBondContact OH-N 2.97Å
61	N	97.8	Very high	97.6	Very high	52 Å²	52	62.1 Å²	62.1	28%	0.278	33%	0.333	S	S	.	.			trans	-64.5	138.3	159.4	-178.7	-36.6	0	0	0	109.1	W47 I48 K63 F64 K65	W47-N61 HydrophobicContact CE3-CB 3.79Å; W47-N61 HydrophobicContact CZ3-CB 3.97Å; W47-N61 WeakPolarHBondContact O-CB 3Å; W47-N61 PolarHBondContact O-ND2 2.89Å; I48-N61 PolarHBondContact O-N 2.91Å; N61-K63 PolarHBondContact O-N 3.4Å; N61-K63 VanDerWaalsContact O-N 3.12Å; N61-K63 WeakPolarHBondContact OD1-CB 3.28Å; N61-K63 PolarHBondContact OD1-N 2.81Å; N61-F64 HydrophobicContact CB-CD2 4.07Å; N61-F64 PolarHBondContact O-N 3.3Å; N61-K65 PolarHBondContact O-N 3.1Å; N61-K65 VanDerWaalsContact O-N 3.1Å
62	Q	97.3	Very high	97.6	Very high	176 Å²	176	63.7 Å²	63.7	82%	0.822	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-53	-35.2	-178.7	-171.1	172.9	0.8	0	0	112.9	F64 K65	Q62-F64 PolarHBondContact O-N 2.91Å; Q62-K65 PolarHBondContact O-N 3.31Å
63	K	94.6	Very high	97.6	Very high	123 Å²	123	64 Å²	64	54%	0.535	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-59.8	-28.7	176.9	-175.9	177.6	179.1	-179.3	0	113.5	D46 N61	D46-K63 IonicContact OD2-NZ 2.93Å; D46-K63 PolarHBondContact OD2-NZ 2.97Å; N61-K63 PolarHBondContact O-N 3.4Å; N61-K63 VanDerWaalsContact O-N 3.12Å; N61-K63 WeakPolarHBondContact OD1-CB 3.28Å; N61-K63 PolarHBondContact OD1-N 2.81Å
64	F	97.4	Very high	97.6	Very high	3 Å²	3	69.3 Å²	69.3	1%	0.013	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-109.3	-4.5	-176.7	-60.7	-87	0	0	0	113.1	K38 D46 I48 N61 Q62 G66 K67 A68	K38-F64 HydrophobicContact CB-CE1 4.45Å; K38-F64 HydrophobicContact CB-CZ 4.12Å; K38-F64 HydrophobicContact CD-CE1 3.9Å; K38-F64 HydrophobicContact CD-CZ 3.89Å; D46-F64 HydrophobicContact CB-CE2 3.97Å; D46-F64 HydrophobicContact CB-CZ 3.95Å; I48-F64 HydrophobicContact CB-CD2 4.24Å; I48-F64 HydrophobicContact CB-CG 4.21Å; I48-F64 HydrophobicContact CD1-CE1 4.38Å; I48-F64 HydrophobicContact CG1-CD1 4.05Å; I48-F64 HydrophobicContact CG1-CD2 4.12Å; I48-F64 HydrophobicContact CG1-CE1 3.93Å; I48-F64 HydrophobicContact CG1-CE2 3.98Å; I48-F64 HydrophobicContact CG1-CG 4.14Å; I48-F64 HydrophobicContact CG1-CZ 3.88Å; I48-F64 HydrophobicContact CG2-CB 3.8Å; I48-F64 HydrophobicContact CG2-CD1 4.1Å; I48-F64 HydrophobicContact CG2-CD2 4.31Å; I48-F64 HydrophobicContact CG2-CG 3.82Å; N61-F64 HydrophobicContact CB-CD2 4.07Å; N61-F64 PolarHBondContact O-N 3.3Å; Q62-F64 PolarHBondContact O-N 2.91Å; F64-G66 PolarHBondContact O-N 3.24Å; F64-K67 PolarHBondContact O-N 2.85Å; F64-A68 HydrophobicContact CB-CB 4.14Å; F64-A68 PolarHBondContact O-N 3.12Å
65	K	95.6	Very high	97.5	Very high	161 Å²	161	67.5 Å²	67.5	70%	0.7	38%	0.38	S	S	*	.	B	Isolated β-bridge	trans	-62.5	126	177.6	-167.9	174.2	-176.1	178.1	0	109.6	N61 Q62 K67	N61-K65 PolarHBondContact O-N 3.1Å; N61-K65 VanDerWaalsContact O-N 3.1Å; Q62-K65 PolarHBondContact O-N 3.31Å; K65-K67 PolarHBondContact O-N 2.77Å
66	G	94.9	Very high	97.5	Very high	75 Å²	75	65 Å²	65	77%	0.773	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-15.3	-175.1	0	0	0	0	0	114.7	F64	F64-G66 PolarHBondContact O-N 3.24Å
67	K	96.7	Very high	97.6	Very high	44 Å²	44	65.4 Å²	65.4	19%	0.191	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-44.8	175.4	-167.8	169.8	-162.8	173.2	0	112.5	F64 K65 L83 R84 D90	F64-K67 PolarHBondContact O-N 2.85Å; K65-K67 PolarHBondContact O-N 2.77Å; K67-L83 WeakPolarHBondContact O-CA 3.3Å; K67-R84 PolarHBondContact O-N 3.02Å; K67-D90 VanDerWaalsContact CE-CG 3.45Å; K67-D90 VanDerWaalsContact CE-OD1 3.23Å; K67-D90 WeakPolarHBondContact CE-OD1 3.37Å; K67-D90 WeakPolarHBondContact CE-OD2 3.45Å; K67-D90 IonicContact NZ-OD1 2.7Å; K67-D90 PolarHBondContact NZ-OD1 2.95Å; K67-D90 IonicContact NZ-OD2 2.58Å; K67-D90 PolarHBondContact NZ-OD2 2.84Å
68	A	98.4	Very high	97.6	Very high	4 Å²	4	62.5 Å²	62.5	3%	0.033	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	141.6	177.5	0	0	0	0	0	111.1	I48 Y60 F64 E82 L83	I48-A68 HydrophobicContact CG2-CB 3.77Å; Y60-A68 HydrophobicContact CD1-CB 4.31Å; Y60-A68 HydrophobicContact CE1-CB 4.21Å; Y60-A68 VanDerWaalsContact CE1-O 3.29Å; Y60-A68 WeakPolarHBondContact CE1-O 3.44Å; F64-A68 HydrophobicContact CB-CB 4.14Å; F64-A68 PolarHBondContact O-N 3.12Å; A68-E82 CarbonylContact C-O 3.49Å; A68-E82 VanDerWaalsContact CA-O 3.3Å; A68-E82 WeakPolarHBondContact CA-O 3.41Å; A68-L83 HydrophobicContact CB-CD2 3.76Å
69	T	98.6	Very high	97.6	Very high	44 Å²	44	60.1 Å²	60.1	27%	0.27	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	122.2	168.3	-60.7	0	0	0	0	108.9	T71 M81 E82	T69-T71 HydrophobicContact CG2-CG2 4.28Å; T69-M81 WeakPolarHBondContact O-CA 3.13Å; T69-E82 PolarHBondContact N-O 2.85Å; T69-E82 PolarHBondContact O-N 2.89Å
70	L	98.8	Very high	97.6	Very high	9 Å²	9	60.5 Å²	60.5	5%	0.047	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	132.5	178.3	-54.4	-175.6	0	0	0	110.3	W36 Y50 I51 Y60 Y80 M81	W36-L70 VanDerWaalsContact CD1-CD2 3.46Å; W36-L70 HydrophobicContact CG-CD2 3.99Å; Y50-L70 WeakPolarHBondContact O-CD1 3.42Å; I51-L70 HydrophobicContact CB-CB 4.02Å; I51-L70 HydrophobicContact CB-CD1 4.35Å; I51-L70 HydrophobicContact CD1-CB 4.22Å; I51-L70 WeakPolarHBondContact CD1-O 3.38Å; I51-L70 HydrophobicContact CG2-CB 4.16Å; Y60-L70 HydrophobicContact CE1-CB 4.5Å; Y60-L70 HydrophobicContact CE1-CD1 4.16Å; Y60-L70 HydrophobicContact CE1-CG 3.71Å; Y60-L70 PolarHBondContact OH-N 2.97Å; L70-Y80 WeakPolarHBondContact CA-O 3.02Å; L70-M81 HydrophobicContact CD2-CB 3.72Å; L70-M81 HydrophobicContact CD2-CG 3.68Å; L70-M81 HydrophobicContact CD2-SD 4.27Å
71	T	98.6	Very high	97.6	Very high	61 Å²	61	57.6 Å²	57.6	37%	0.374	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	164.2	176.6	55.9	0	0	0	0	111	T69 A79 Y80	T69-T71 HydrophobicContact CG2-CG2 4.28Å; T71-A79 CarbonylContact O-C 3.55Å; T71-A79 WeakPolarHBondContact O-CA 3.47Å; T71-Y80 PolarHBondContact N-O 3.12Å; T71-Y80 PolarHBondContact O-N 3.08Å
72	V	98.5	Very high	97.7	Very high	38 Å²	38	57.5 Å²	57.5	23%	0.23	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	139.3	180	-68.7	0	0	0	0	110.5	F29 I51 P53 A79	F29-V72 HydrophobicContact CZ-CB 4.44Å; F29-V72 HydrophobicContact CZ-CG1 4.2Å; I51-V72 HydrophobicContact CD1-CG1 3.95Å; I51-V72 HydrophobicContact CD1-CG2 4.32Å; I51-V72 HydrophobicContact CG1-CG1 4.03Å; I51-V72 HydrophobicContact CG2-CG1 3.75Å; P53-V72 HydrophobicContact CB-CB 4.29Å; P53-V72 HydrophobicContact CB-CG1 3.94Å; P53-V72 HydrophobicContact CB-CG2 4.46Å; P53-V72 HydrophobicContact CG-CG1 4.01Å; V72-A79 HydrophobicContact CG1-CB 4.24Å
73	D	98.2	Very high	97.7	Very high	54 Å²	54	49.1 Å²	49.1	29%	0.289	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	109.5	162.6	174	8.8	0	0	0	108.4	S75 S76 S77 T78 Y80	D73-S75 VanDerWaalsContact C-N 3.32Å; D73-S75 WeakPolarHBondContact OD1-CB 3.46Å; D73-S75 PolarHBondContact OD1-N 2.87Å; D73-S75 PolarHBondContact OD1-OG 3.04Å; D73-S75 PolarHBondContact OD2-OG 3.35Å; D73-S76 WeakPolarHBondContact OD2-CB 3.25Å; D73-S76 PolarHBondContact OD2-OG 3.46Å; D73-S77 PolarHBondContact O-N 2.86Å; D73-T78 PolarHBondContact N-O 3Å; D73-T78 PolarHBondContact O-N 2.02Å; D73-Y80 HydrophobicContact CB-CE2 4Å
74	K	97	Very high	97.8	Very high	112 Å²	112	48.5 Å²	48.5	49%	0.487	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-33.4	-178.2	-57.4	-177.5	-169.5	-170.4	0	111.8	P53 Y54 S76 S77	P53-K74 WeakPolarHBondContact O-CE 3.45Å; Y54-K74 PolarHBondContact O-NZ 2.89Å; K74-S76 VanDerWaalsContact C-N 3.33Å; K74-S76 PolarHBondContact O-N 2.64Å; K74-S77 PolarHBondContact O-N 3.4Å
75	S	96.8	Very high	97.8	Very high	112 Å²	112	52.5 Å²	52.5	78%	0.783	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-37.2	-174.7	71.1	0	0	0	0	111.6	D73	D73-S75 VanDerWaalsContact C-N 3.32Å; D73-S75 WeakPolarHBondContact OD1-CB 3.46Å; D73-S75 PolarHBondContact OD1-N 2.87Å; D73-S75 PolarHBondContact OD1-OG 3.04Å; D73-S75 PolarHBondContact OD2-OG 3.35Å
76	S	97.7	Very high	97.9	Very high	39 Å²	39	45.5 Å²	45.5	27%	0.273	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	2	178.6	64.2	0	0	0	0	114.2	D73 K74 T78	D73-S76 WeakPolarHBondContact OD2-CB 3.25Å; D73-S76 PolarHBondContact OD2-OG 3.46Å; K74-S76 VanDerWaalsContact C-N 3.33Å; K74-S76 PolarHBondContact O-N 2.64Å; S76-T78 VanDerWaalsContact C-N 3.25Å; S76-T78 PolarHBondContact O-N 2.61Å; S76-T78 PolarHBondContact O-OG1 3.17Å; S76-T78 VanDerWaalsContact O-OG1 3.12Å; S76-T78 WeakPolarHBondContact OG-CB 3.44Å; S76-T78 PolarHBondContact OG-OG1 2.8Å
77	S	98.1	Very high	98	Very high	41 Å²	41	45 Å²	45	29%	0.287	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	42.6	-171.3	-60.6	0	0	0	0	113.3	A24 D73 K74	A24-S77 PolarHBondContact N-O 2.92Å; A24-S77 WeakPolarHBondContact O-CB 3.48Å; D73-S77 PolarHBondContact O-N 2.86Å; K74-S77 PolarHBondContact O-N 3.4Å
78	T	98.7	Very high	97.8	Very high	9 Å²	9	48 Å²	48	6%	0.055	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.3	-174.1	-54.5	0	0	0	0	111	C22 K23 D73 S76 Y80	C22-T78 WeakPolarHBondContact O-CA 3.44Å; K23-T78 HydrophobicContact CB-CG2 4.45Å; D73-T78 PolarHBondContact N-O 3Å; D73-T78 PolarHBondContact O-N 2.02Å; S76-T78 VanDerWaalsContact C-N 3.25Å; S76-T78 PolarHBondContact O-N 2.61Å; S76-T78 PolarHBondContact O-OG1 3.17Å; S76-T78 VanDerWaalsContact O-OG1 3.12Å; S76-T78 WeakPolarHBondContact OG-CB 3.44Å; S76-T78 PolarHBondContact OG-OG1 2.8Å; T78-Y80 HydrophobicContact CG2-CD1 4.38Å; T78-Y80 HydrophobicContact CG2-CD2 4.33Å; T78-Y80 HydrophobicContact CG2-CE1 3.78Å; T78-Y80 HydrophobicContact CG2-CE2 3.69Å; T78-Y80 WeakPolarHBondContact CG2-OH 3.43Å
79	A	98.7	Very high	97.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	150.6	168.1	0	0	0	0	0	109.9	S21 C22 F29 M34 W36 T71 V72	S21-A79 CarbonylContact C-O 3.47Å; C22-A79 PolarHBondContact N-O 3.29Å; C22-A79 PolarHBondContact O-N 3.21Å; F29-A79 HydrophobicContact CE2-CB 4.35Å; F29-A79 HydrophobicContact CZ-CB 4.24Å; M34-A79 HydrophobicContact CB-CB 4.28Å; M34-A79 HydrophobicContact CG-CB 3.73Å; W36-A79 HydrophobicContact CZ2-CB 4.27Å; T71-A79 CarbonylContact O-C 3.55Å; T71-A79 WeakPolarHBondContact O-CA 3.47Å; V72-A79 HydrophobicContact CG1-CB 4.24Å
80	Y	98.8	Very high	97.4	Very high	53 Å²	53	53.4 Å²	53.4	21%	0.208	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146.2	176.9	-54.9	-94	0	0	0	110.9	K19 I20 S21 L70 T71 D73 T78	K19-Y80 HydrophobicContact CD-CD1 4.39Å; K19-Y80 VanDerWaalsContact CE-CD1 3.49Å; K19-Y80 HydrophobicContact CG-CD1 4.38Å; I20-Y80 CarbonylContact O-C 3.48Å; I20-Y80 WeakPolarHBondContact O-CA 3.13Å; S21-Y80 VanDerWaalsContact CB-CE1 3.47Å; L70-Y80 WeakPolarHBondContact CA-O 3.02Å; T71-Y80 PolarHBondContact N-O 3.12Å; T71-Y80 PolarHBondContact O-N 3.08Å; D73-Y80 HydrophobicContact CB-CE2 4Å; T78-Y80 HydrophobicContact CG2-CD1 4.38Å; T78-Y80 HydrophobicContact CG2-CD2 4.33Å; T78-Y80 HydrophobicContact CG2-CE1 3.78Å; T78-Y80 HydrophobicContact CG2-CE2 3.69Å; T78-Y80 WeakPolarHBondContact CG2-OH 3.43Å
81	M	98.7	Very high	97.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.7	167.1	176.9	178.2	71.3	0	0	108.8	I20 W36 I48 T69 L70 L83 Y94	I20-M81 HydrophobicContact CD1-CE 3.58Å; I20-M81 PolarHBondContact N-O 3.04Å; I20-M81 PolarHBondContact O-N 3.35Å; W36-M81 HydrophobicContact CB-SD 3.91Å; W36-M81 HydrophobicContact CD2-CB 3.73Å; W36-M81 HydrophobicContact CD2-CE 4.47Å; W36-M81 HydrophobicContact CD2-SD 4.11Å; W36-M81 HydrophobicContact CE3-CB 3.96Å; W36-M81 HydrophobicContact CE3-CE 3.88Å; W36-M81 HydrophobicContact CE3-SD 4.11Å; W36-M81 HydrophobicContact CG-CB 4.24Å; W36-M81 HydrophobicContact CG-SD 4.06Å; W36-M81 HydrophobicContact CH2-CB 4.16Å; W36-M81 HydrophobicContact CZ2-CB 3.97Å; W36-M81 HydrophobicContact CZ3-CB 4.17Å; W36-M81 HydrophobicContact CZ3-CE 4.35Å; I48-M81 HydrophobicContact CD1-CE 3.95Å; I48-M81 HydrophobicContact CD1-SD 3.48Å; I48-M81 WeakPolarHBondContact CD1-SD 3.44Å; I48-M81 HydrophobicContact CG2-SD 4.01Å; T69-M81 WeakPolarHBondContact O-CA 3.13Å; L70-M81 HydrophobicContact CD2-CB 3.72Å; L70-M81 HydrophobicContact CD2-CG 3.68Å; L70-M81 HydrophobicContact CD2-SD 4.27Å; M81-L83 HydrophobicContact CE-CD1 4.05Å; M81-L83 HydrophobicContact CE-CG 4.21Å; M81-L83 HydrophobicContact CG-CD2 4.5Å; M81-L83 HydrophobicContact CG-CG 4.4Å; M81-L83 HydrophobicContact SD-CD2 4.32Å; M81-L83 HydrophobicContact SD-CG 4.47Å; M81-Y94 HydrophobicContact CE-CD1 3.47Å; M81-Y94 VanDerWaalsContact CE-CD1 3.47Å; M81-Y94 HydrophobicContact CE-CE1 4.12Å; M81-Y94 HydrophobicContact CE-CG 3.89Å
82	E	98.6	Very high	97.1	Very high	50 Å²	50	55.1 Å²	55.1	23%	0.234	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	128.4	168.6	-168.3	-168	164.3	0	0	109.1	V18 A68 T69 R84	V18-E82 CarbonylContact O-C 3.59Å; V18-E82 VanDerWaalsContact O-CA 3.27Å; V18-E82 WeakPolarHBondContact O-CA 3.11Å; A68-E82 CarbonylContact C-O 3.49Å; A68-E82 VanDerWaalsContact CA-O 3.3Å; A68-E82 WeakPolarHBondContact CA-O 3.41Å; T69-E82 PolarHBondContact N-O 2.85Å; T69-E82 PolarHBondContact O-N 2.89Å; E82-R84 VanDerWaalsContact CD-NE 3.33Å; E82-R84 HydrophobicContact CG-CG 4.34Å; E82-R84 IonicContact OE1-CZ 3.57Å; E82-R84 IonicContact OE1-NE 3.41Å; E82-R84 PolarHBondContact OE1-NE 2.9Å; E82-R84 IonicContact OE1-NH2 2.84Å; E82-R84 IonicContact OE2-CZ 3.95Å; E82-R84 IonicContact OE2-NE 3.57Å; E82-R84 PolarHBondContact OE2-NE 2.93Å; E82-R84 IonicContact OE2-NH2 3.69Å; E82-R84 PolarHBondContact OE2-NH2 2.81Å
83	L	98.4	Very high	97	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.4	169.5	-65	169.1	0	0	0	108.6	S17 V18 K67 A68 M81 L86 Y94	S17-L83 CarbonylContact C-O 3.51Å; S17-L83 WeakPolarHBondContact CA-O 3.44Å; S17-L83 WeakPolarHBondContact CB-O 3.36Å; V18-L83 HydrophobicContact CG1-CB 3.95Å; V18-L83 HydrophobicContact CG1-CD1 4.34Å; V18-L83 PolarHBondContact N-O 2.93Å; V18-L83 PolarHBondContact O-N 2.89Å; K67-L83 WeakPolarHBondContact O-CA 3.3Å; A68-L83 HydrophobicContact CB-CD2 3.76Å; M81-L83 HydrophobicContact CE-CD1 4.05Å; M81-L83 HydrophobicContact CE-CG 4.21Å; M81-L83 HydrophobicContact CG-CD2 4.5Å; M81-L83 HydrophobicContact CG-CG 4.4Å; M81-L83 HydrophobicContact SD-CD2 4.32Å; M81-L83 HydrophobicContact SD-CG 4.47Å; L83-L86 HydrophobicContact CB-CD2 3.76Å; L83-L86 HydrophobicContact CD1-CD2 4.45Å; L83-Y94 HydrophobicContact CD1-CD1 4.19Å; L83-Y94 HydrophobicContact CD1-CE1 3.49Å; L83-Y94 VanDerWaalsContact CD1-CE1 3.49Å; L83-Y94 HydrophobicContact CD1-CE2 4Å; L83-Y94 WeakPolarHBondContact CD1-OH 3.27Å
84	R	97.5	Very high	97	Very high	110 Å²	110	55.4 Å²	55.4	42%	0.415	32%	0.317	S	S	.	.			trans	-114.2	160.1	-176.8	-57.6	-172.2	174.2	160	7.9	111.9	K67 E82 L86	K67-R84 PolarHBondContact O-N 3.02Å; E82-R84 VanDerWaalsContact CD-NE 3.33Å; E82-R84 HydrophobicContact CG-CG 4.34Å; E82-R84 IonicContact OE1-CZ 3.57Å; E82-R84 IonicContact OE1-NE 3.41Å; E82-R84 PolarHBondContact OE1-NE 2.9Å; E82-R84 IonicContact OE1-NH2 2.84Å; E82-R84 IonicContact OE2-CZ 3.95Å; E82-R84 IonicContact OE2-NE 3.57Å; E82-R84 PolarHBondContact OE2-NE 2.93Å; E82-R84 IonicContact OE2-NH2 3.69Å; E82-R84 PolarHBondContact OE2-NH2 2.81Å; R84-L86 VanDerWaalsContact C-N 3.3Å; R84-L86 PolarHBondContact O-N 3.35Å
85	S	97	Very high	97.1	Very high	87 Å²	87	54.7 Å²	54.7	61%	0.608	31%	0.312	S	S	*	.	S	Bend	trans	52.3	50	174.9	-54.6	0	0	0	0	111.8	A16	A16-S85 PolarHBondContact O-N 2.86Å
86	L	97.4	Very high	97.1	Very high	13 Å²	13	49.8 Å²	49.8	7%	0.068	28%	0.277	C	S	.	.			trans	-61.4	140.9	-170.5	-69.1	168.3	0	0	0	112.4	V12 P14 G15 A16 V18 L83 R84 D90	V12-L86 HydrophobicContact CB-CD1 4.41Å; V12-L86 HydrophobicContact CG2-CD1 3.32Å; P14-L86 CarbonylContact C-O 3.58Å; P14-L86 WeakPolarHBondContact CA-O 3.16Å; G15-L86 PolarHBondContact N-O 2.94Å; A16-L86 VanDerWaalsContact O-CG 3.25Å; A16-L86 WeakPolarHBondContact O-CG 3.4Å; A16-L86 PolarHBondContact O-N 3.48Å; V18-L86 HydrophobicContact CB-CD1 3.97Å; V18-L86 HydrophobicContact CG1-CD1 3.84Å; V18-L86 HydrophobicContact CG1-CD2 4.26Å; L83-L86 HydrophobicContact CB-CD2 3.76Å; L83-L86 HydrophobicContact CD1-CD2 4.45Å; R84-L86 VanDerWaalsContact C-N 3.3Å; R84-L86 PolarHBondContact O-N 3.35Å; L86-D90 WeakPolarHBondContact CA-OD2 3.12Å; L86-D90 HydrophobicContact CD2-CB 3.72Å
87	T	96.2	Very high	97.1	Very high	66 Å²	66	49.8 Å²	49.8	41%	0.405	28%	0.28	S	S	.	.			trans	-119.5	170.2	172.7	66.9	0	0	0	0	109.8	E89 D90	T87-E89 PolarHBondContact O-N 2.77Å; T87-E89 VanDerWaalsContact O-N 3.15Å; T87-E89 PolarHBondContact OG1-N 3.21Å; T87-D90 PolarHBondContact N-OD2 3.35Å; T87-D90 WeakPolarHBondContact O-CB 2.92Å; T87-D90 PolarHBondContact O-N 3.39Å; T87-D90 PolarHBondContact OG1-OD2 3.09Å
88	S	93.9	Very high	96.8	Very high	107 Å²	107	52 Å²	52	75%	0.748	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-57.6	-27.6	174.9	52.1	0	0	0	0	112.8	D90 S91	S88-D90 PolarHBondContact O-N 3.13Å; S88-S91 WeakPolarHBondContact O-CB 3.32Å; S88-S91 PolarHBondContact O-N 3.5Å
89	E	92.5	Very high	96.7	Very high	147 Å²	147	54.2 Å²	54.2	69%	0.687	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-66.2	-20.4	176.4	-62.9	179.1	178.6	0	0	112.9	K38 T87 S91	K38-E89 WeakPolarHBondContact CE-O 3.36Å; K38-E89 PolarHBondContact NZ-O 2.79Å; T87-E89 PolarHBondContact O-N 2.77Å; T87-E89 VanDerWaalsContact O-N 3.15Å; T87-E89 PolarHBondContact OG1-N 3.21Å; E89-S91 VanDerWaalsContact C-N 3.28Å
90	D	95.4	Very high	96.6	Very high	13 Å²	13	57.1 Å²	57.1	7%	0.07	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-81.6	-5.7	176.8	-59.3	-50	0	0	0	113.7	K38 K67 L86 T87 S88 A92 Y94	K38-D90 IonicContact NZ-OD1 2.74Å; K67-D90 VanDerWaalsContact CE-CG 3.45Å; K67-D90 VanDerWaalsContact CE-OD1 3.23Å; K67-D90 WeakPolarHBondContact CE-OD1 3.37Å; K67-D90 WeakPolarHBondContact CE-OD2 3.45Å; K67-D90 IonicContact NZ-OD1 2.7Å; K67-D90 PolarHBondContact NZ-OD1 2.95Å; K67-D90 IonicContact NZ-OD2 2.58Å; K67-D90 PolarHBondContact NZ-OD2 2.84Å; L86-D90 WeakPolarHBondContact CA-OD2 3.12Å; L86-D90 HydrophobicContact CD2-CB 3.72Å; T87-D90 PolarHBondContact N-OD2 3.35Å; T87-D90 WeakPolarHBondContact O-CB 2.92Å; T87-D90 PolarHBondContact O-N 3.39Å; T87-D90 PolarHBondContact OG1-OD2 3.09Å; S88-D90 PolarHBondContact O-N 3.13Å; D90-A92 PolarHBondContact O-N 2.66Å; D90-Y94 WeakPolarHBondContact O-CE2 3.37Å; D90-Y94 PolarHBondContact O-OH 2.83Å
91	S	95.4	Very high	96.5	Very high	76 Å²	76	57.3 Å²	57.3	53%	0.531	31%	0.314	S	S	.	.			trans	-63.9	105.5	170.6	-178.7	0	0	0	0	109.5	S88 E89	S88-S91 WeakPolarHBondContact O-CB 3.32Å; S88-S91 PolarHBondContact O-N 3.5Å; E89-S91 VanDerWaalsContact C-N 3.28Å
92	A	96.3	Very high	96.4	Very high	31 Å²	31	60.6 Å²	60.6	26%	0.256	33%	0.333	S	S	.	.	S	Bend	trans	-164	168.6	-173	0	0	0	0	0	110.4	K38 Q39 D90 Y94	K38-A92 HydrophobicContact CD-CB 4.07Å; K38-A92 HydrophobicContact CG-CB 3.54Å; Q39-A92 VanDerWaalsContact O-CB 3.32Å; Q39-A92 WeakPolarHBondContact O-CB 3.41Å; D90-A92 PolarHBondContact O-N 2.66Å; A92-Y94 HydrophobicContact CB-CE2 3.98Å
93	V	96.6	Very high	96.2	Very high	72 Å²	72	61.3 Å²	61.3	44%	0.436	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	135.2	164.5	-170.6	0	0	0	0	108.2	Q39 Y95	Q39-V93 HydrophobicContact CB-CB 4.41Å; Q39-V93 PolarHBondContact N-O 2.84Å; Q39-V93 PolarHBondContact O-N 2.83Å; V93-Y95 HydrophobicContact CB-CE2 3.95Å; V93-Y95 HydrophobicContact CG1-CD1 4.49Å; V93-Y95 HydrophobicContact CG1-CD2 4.3Å; V93-Y95 HydrophobicContact CG1-CE1 3.82Å; V93-Y95 HydrophobicContact CG1-CE2 3.58Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.45Å
94	Y	97.8	Very high	96.1	Very high	25 Å²	25	65.4 Å²	65.4	10%	0.098	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.1	178.2	-68.5	-87	0	0	0	108.9	Q6 I20 V37 K38 I48 M81 L83 D90 A92	Q6-Y94 PolarHBondContact NE2-O 3.05Å; I20-Y94 HydrophobicContact CD1-CD2 3.97Å; I20-Y94 HydrophobicContact CD1-CG 3.88Å; V37-Y94 CarbonylContact O-C 3.59Å; V37-Y94 WeakPolarHBondContact O-CA 3.29Å; K38-Y94 HydrophobicContact CB-CD1 3.97Å; K38-Y94 HydrophobicContact CB-CE1 3.73Å; K38-Y94 HydrophobicContact CD-CE1 3.93Å; K38-Y94 HydrophobicContact CG-CD1 4.17Å; K38-Y94 HydrophobicContact CG-CE1 3.64Å; I48-Y94 HydrophobicContact CD1-CD1 3.68Å; I48-Y94 HydrophobicContact CD1-CE1 3.84Å; M81-Y94 HydrophobicContact CE-CD1 3.47Å; M81-Y94 VanDerWaalsContact CE-CD1 3.47Å; M81-Y94 HydrophobicContact CE-CE1 4.12Å; M81-Y94 HydrophobicContact CE-CG 3.89Å; L83-Y94 HydrophobicContact CD1-CD1 4.19Å; L83-Y94 HydrophobicContact CD1-CE1 3.49Å; L83-Y94 VanDerWaalsContact CD1-CE1 3.49Å; L83-Y94 HydrophobicContact CD1-CE2 4Å; L83-Y94 WeakPolarHBondContact CD1-OH 3.27Å; D90-Y94 WeakPolarHBondContact O-CE2 3.37Å; D90-Y94 PolarHBondContact O-OH 2.83Å; A92-Y94 HydrophobicContact CB-CE2 3.98Å
95	Y	97.9	Very high	96	Very high	97 Å²	97	62.2 Å²	62.2	38%	0.38	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	139.1	178.5	-60.6	-79.3	0	0	0	110.7	Q6 W36 V37 Q39 V93	Q6-Y95 VanDerWaalsContact OE1-CA 3.31Å; W36-Y95 CarbonylContact C-O 3.58Å; W36-Y95 WeakPolarHBondContact CA-O 3.28Å; V37-Y95 PolarHBondContact N-O 2.66Å; V37-Y95 PolarHBondContact O-N 2.82Å; Q39-Y95 HydrophobicContact CB-CD2 4.25Å; Q39-Y95 HydrophobicContact CB-CE2 3.74Å; Q39-Y95 HydrophobicContact CG-CE2 4.5Å; Q39-Y95 PolarHBondContact OE1-OH 2.7Å; V93-Y95 HydrophobicContact CB-CE2 3.95Å; V93-Y95 HydrophobicContact CG1-CD1 4.49Å; V93-Y95 HydrophobicContact CG1-CD2 4.3Å; V93-Y95 HydrophobicContact CG1-CE1 3.82Å; V93-Y95 HydrophobicContact CG1-CE2 3.58Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.45Å
96	C	98.5	Very high	95.9	Very high	10 Å²	10	60.3 Å²	60.3	7%	0.068	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	146.7	157.3	62.4	0	0	0	0	109.5	Q6 C22 M34 H35 W36	Q6-C96 WeakPolarHBondContact CG-SG 3.39Å; C22-C96 HydrophobicContact CB-CB 3.44Å; C22-C96 VanDerWaalsContact CB-CB 3.44Å; C22-C96 WeakPolarHBondContact CB-SG 2.99Å; C22-C96 WeakPolarHBondContact SG-CB 3.12Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 3.4Å; M34-C96 HydrophobicContact SD-CB 3.88Å; H35-C96 CarbonylContact O-C 3.53Å; H35-C96 VanDerWaalsContact O-CA 3.28Å; H35-C96 WeakPolarHBondContact O-CA 3.37Å; W36-C96 HydrophobicContact CD2-CB 4.21Å; W36-C96 HydrophobicContact CE3-CB 4Å; W36-C96 HydrophobicContact CH2-CB 4.02Å; W36-C96 HydrophobicContact CZ2-CB 4.2Å; W36-C96 HydrophobicContact CZ3-CB 3.9Å
97	A	97.5	Very high	95.8	Very high	39 Å²	39	64.3 Å²	64.3	32%	0.322	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	146.7	177.8	0	0	0	0	0	110.5	H35	H35-A97 HydrophobicContact CB-CB 4.33Å; H35-A97 PolarHBondContact N-O 3.18Å; H35-A97 PolarHBondContact O-N 3.38Å
98	R	91.3	Very high	95.7	Very high	88 Å²	88	64.1 Å²	64.1	33%	0.332	36%	0.357	S	S	.	.			trans	-111.9	0	172.1	171.3	62.1	71.6	-173.2	20.2	109.3	L4 Y27 F29 Y32 Y33	L4-R98 HydrophobicContact CD1-CB 4.23Å; Y27-R98 HydrophobicContact CE2-CG 4.08Å; Y27-R98 PolarHBondContact OH-NE 3.49Å; Y27-R98 PolarHBondContact OH-NH2 3.21Å; F29-R98 PolarHBondContact O-NH2 2.99Å; Y32-R98 VanDerWaalsContact CA-NH1 3.35Å; Y32-R98 VanDerWaalsContact CB-CD 3.42Å; Y32-R98 PolarHBondContact O-NH1 2.91Å; Y33-R98 VanDerWaalsContact CA-NH1 3.31Å; Y33-R98 PolarHBondContact O-NH1 2.98Å

Retrieved 98 of 98 residues in 90.3 ms (Link to these results)

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