X5J500_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J500, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 105 aa.

						>X5J500_MOUSE|X5J500
AELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGRGLEWIGRIDPNSGGTKYNEKFKSKATLTVDKPSSTAYMQLSSLTSEDSAVYYCARGDWDYWGQGTTLTVS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	A	76.4	Confident	93.1	Very high	116 Å²	116	77.1 Å²	77.1	96%	0.959	47%	0.465	S	S	*	.				0	143.2	0	0	0	0	0	0	108	T101	A1-T101 CarbonylContact C-O 3.57Å; A1-T101 WeakPolarHBondContact CA-O 3.21Å
2	E	86	Confident	93.5	Very high	73 Å²	73	71.2 Å²	71.2	34%	0.341	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.2	-176.1	-165.2	172.3	167.9	0	0	109.9	V4 V10 T101 L102 T103	E2-V4 HydrophobicContact CG-CG1 3.95Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.39Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.19Å; E2-T101 PolarHBondContact N-O 3.14Å; E2-L102 HydrophobicContact CB-CD1 3.99Å; E2-L102 HydrophobicContact CG-CD1 4.34Å; E2-L102 CarbonylContact O-C 3.51Å; E2-L102 WeakPolarHBondContact O-CA 3.26Å; E2-T103 PolarHBondContact O-N 3.27Å
3	L	93.6	Very high	93.8	Very high	122 Å²	122	71.3 Å²	71.3	64%	0.639	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.9	178.7	-178.3	66.3	0	0	0	108.5	T103 S105	L3-T103 WeakPolarHBondContact CA-O 3.42Å; L3-T103 HydrophobicContact CD1-CG2 3.75Å; L3-S105 WeakPolarHBondContact CD1-OG 3.3Å
4	V	95.1	Very high	94	Very high	20 Å²	20	67.2 Å²	67.2	12%	0.121	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	155.1	-174.6	-60.4	0	0	0	0	111.2	E2 A8 L78 L102 T103 V104 S105	E2-V4 HydrophobicContact CG-CG1 3.95Å; V4-A8 HydrophobicContact CB-CB 4.37Å; V4-L78 HydrophobicContact CB-CD1 4.45Å; V4-L78 HydrophobicContact CG2-CD1 3.48Å; V4-L78 VanDerWaalsContact CG2-CD1 3.48Å; V4-L102 HydrophobicContact CG1-CD1 4.23Å; V4-L102 HydrophobicContact CG2-CD1 3.84Å; V4-T103 PolarHBondContact N-O 2.72Å; V4-V104 HydrophobicContact CG2-CB 4.38Å; V4-V104 HydrophobicContact CG2-CG1 4.38Å; V4-V104 HydrophobicContact CG2-CG2 3.81Å; V4-V104 VanDerWaalsContact O-CA 3.31Å; V4-V104 WeakPolarHBondContact O-CA 3.01Å; V4-S105 PolarHBondContact O-N 3.23Å; V4-S105 VanDerWaalsContact O-N 3.1Å
5	K	95.1	Very high	94.2	Very high	164 Å²	164	73.1 Å²	73.1	71%	0.713	43%	0.429	S	S	*	.			trans	-80.7	151.6	177.1	-63	-177.6	-178.9	-178.6	0	110.8	A8	K5-A8 WeakPolarHBondContact O-CB 3.48Å; K5-A8 PolarHBondContact O-N 3.03Å; K5-A8 VanDerWaalsContact O-N 3.17Å
6	P	96.3	Very high	94.2	Very high	77 Å²	77	69.3 Å²	69.3	50%	0.5	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	142.3	168.5	-25.5	34.1	0	0	0	112.2	A8 L78 V104	P6-A8 PolarHBondContact O-N 3.26Å; P6-L78 CarbonylContact C-O 3.51Å; P6-L78 WeakPolarHBondContact CA-O 3.34Å; P6-V104 HydrophobicContact CB-CG1 4.45Å; P6-V104 HydrophobicContact CG-CG1 4.17Å
7	G	95	Very high	94.1	Very high	54 Å²	54	70.6 Å²	70.6	56%	0.557	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-13.2	-176.5	0	0	0	0	0	114.8	L78	G7-L78 PolarHBondContact N-O 2.82Å
8	A	96.1	Very high	93.9	Very high	34 Å²	34	71.8 Å²	71.8	28%	0.281	45%	0.451	S	S	.	.			trans	-67.5	166.6	176.4	0	0	0	0	0	112.2	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.37Å; K5-A8 WeakPolarHBondContact O-CB 3.48Å; K5-A8 PolarHBondContact O-N 3.03Å; K5-A8 VanDerWaalsContact O-N 3.17Å; P6-A8 PolarHBondContact O-N 3.26Å; A8-S77 PolarHBondContact O-N 2.79Å; A8-L78 WeakPolarHBondContact O-CB 3.24Å; A8-L78 WeakPolarHBondContact O-CG 3.47Å; A8-L78 PolarHBondContact O-N 2.8Å
9	S	96.6	Very high	93.8	Very high	68 Å²	68	70.6 Å²	70.6	48%	0.476	44%	0.437	S	S	.	.			trans	-118.3	144.8	169.3	-57.8	0	0	0	0	109.7	L75 S76	S9-L75 CarbonylContact C-O 3.37Å; S9-L75 WeakPolarHBondContact CA-O 3.32Å; S9-L75 WeakPolarHBondContact CB-O 3.38Å; S9-S76 WeakPolarHBondContact OG-CA 3.4Å
10	V	96.8	Very high	93.9	Very high	5 Å²	5	71.4 Å²	71.4	3%	0.03	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	146.3	179.1	63.6	0	0	0	0	110.4	E2 L12 Q74 L75 L78 L102	E2-V10 WeakPolarHBondContact OE1-CG2 3.39Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.19Å; V10-L12 HydrophobicContact CG2-CD2 3.88Å; V10-L12 HydrophobicContact CG2-CG 4.35Å; V10-Q74 CarbonylContact O-C 3.5Å; V10-Q74 VanDerWaalsContact O-CA 3.24Å; V10-Q74 WeakPolarHBondContact O-CA 2.99Å; V10-L75 HydrophobicContact CG1-CB 3.88Å; V10-L75 HydrophobicContact CG1-CD1 4.17Å; V10-L75 HydrophobicContact CG1-CG 4.45Å; V10-L75 PolarHBondContact N-O 2.8Å; V10-L75 PolarHBondContact O-N 2.86Å; V10-L78 HydrophobicContact CB-CD1 4.16Å; V10-L78 HydrophobicContact CG1-CD1 3.77Å; V10-L78 HydrophobicContact CG1-CD2 4.47Å; V10-L102 HydrophobicContact CB-CD1 4.49Å; V10-L102 HydrophobicContact CG1-CD1 4.22Å; V10-L102 HydrophobicContact CG1-CD2 3.88Å; V10-L102 HydrophobicContact CG2-CD1 4.35Å
11	K	97.3	Very high	93.9	Very high	115 Å²	115	68.3 Å²	68.3	50%	0.5	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	106.6	172.9	-174.8	175.7	179.1	-179.9	0	109.9	Y72	K11-Y72 HydrophobicContact CD-CD1 4.27Å; K11-Y72 VanDerWaalsContact CE-CB 3.49Å; K11-Y72 HydrophobicContact CG-CD1 4.16Å
12	L	97.6	Very high	94.9	Very high	6 Å²	6	65.2 Å²	65.2	3%	0.031	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	145.5	174.7	-57.6	-179	0	0	0	110	V10 W28 Y72 M73 L75 Y86 T100	V10-L12 HydrophobicContact CG2-CD2 3.88Å; V10-L12 HydrophobicContact CG2-CG 4.35Å; L12-W28 HydrophobicContact CB-CH2 4.08Å; L12-W28 HydrophobicContact CB-CZ3 3.99Å; L12-Y72 CarbonylContact O-C 3.59Å; L12-Y72 WeakPolarHBondContact O-CA 3.37Å; L12-M73 HydrophobicContact CD1-CE 3.75Å; L12-M73 PolarHBondContact N-O 3.1Å; L12-M73 PolarHBondContact O-N 3.24Å; L12-L75 HydrophobicContact CD1-CD1 4.48Å; L12-Y86 HydrophobicContact CD1-CD1 4.39Å; L12-Y86 HydrophobicContact CD1-CD2 4.12Å; L12-Y86 HydrophobicContact CD1-CG 3.78Å; L12-T100 HydrophobicContact CD2-CG2 3.98Å
13	S	97.3	Very high	95.3	Very high	73 Å²	73	65.3 Å²	65.3	51%	0.51	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	148.9	179.6	65.5	0	0	0	0	111.4	A71 Y72	S13-A71 CarbonylContact C-O 3.56Å; S13-A71 WeakPolarHBondContact CA-O 3.43Å; S13-Y72 VanDerWaalsContact CB-CD1 3.49Å; S13-Y72 VanDerWaalsContact CB-CE1 3.41Å
14	C	97.1	Very high	95.4	Very high	14 Å²	14	64.1 Å²	64.1	10%	0.095	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	106.4	172.9	179.6	0	0	0	0	108.6	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.84Å; C14-W28 HydrophobicContact CB-CZ2 3.96Å; C14-T70 WeakPolarHBondContact O-CA 2.98Å; C14-A71 PolarHBondContact N-O 3.02Å; C14-A71 PolarHBondContact O-N 3.24Å; C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 2.92Å; C14-C88 WeakPolarHBondContact SG-CB 3.34Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.94Å
15	K	96.6	Very high	95.5	Very high	156 Å²	156	67.2 Å²	67.2	68%	0.678	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	124.2	-179.9	-173.4	173.8	-177.2	178.2	0	109.9	T70	K15-T70 HydrophobicContact CB-CG2 4.47Å
16	A	94.3	Very high	95.6	Very high	12 Å²	12	59.6 Å²	59.6	10%	0.099	37%	0.365	C	S	.	.			trans	-77.1	145.8	174.6	0	0	0	0	0	111.3	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.75Å; A16-Y19 HydrophobicContact CB-CE2 4.2Å; A16-Y19 VanDerWaalsContact CB-CZ 3.47Å; A16-Y19 VanDerWaalsContact CB-OH 3.25Å; A16-Y19 WeakPolarHBondContact CB-OH 3.44Å; A16-F21 HydrophobicContact CB-CB 3.99Å; A16-F21 HydrophobicContact CB-CD2 3.37Å; A16-F21 HydrophobicContact CB-CE2 4.07Å; A16-F21 HydrophobicContact CB-CG 3.91Å; A16-S69 PolarHBondContact N-O 3.31Å
17	S	92.2	Very high	95.7	Very high	92 Å²	92	56.6 Å²	56.6	64%	0.643	34%	0.344	S	S	*	.			trans	-146.7	146.3	174.4	59.8	0	0	0	0	110.4	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.27Å; S17-Y19 PolarHBondContact O-N 2.86Å
18	G	91.7	Very high	95.9	Very high	91 Å²	91	54.2 Å²	54.2	94%	0.938	32%	0.318	S	S	*	.	S	Bend	trans	77.7	12	174.8	0	0	0	0	0	116
19	Y	91.1	Very high	96	Very high	49 Å²	49	52.8 Å²	52.8	19%	0.192	31%	0.306	C	S	.	.	S	Bend	trans	-156.7	165.3	174.1	66.4	-83.8	0	0	0	111.7	A16 S17 F21 Y24 M26 R90	A16-Y19 HydrophobicContact CB-CE1 3.75Å; A16-Y19 HydrophobicContact CB-CE2 4.2Å; A16-Y19 VanDerWaalsContact CB-CZ 3.47Å; A16-Y19 VanDerWaalsContact CB-OH 3.25Å; A16-Y19 WeakPolarHBondContact CB-OH 3.44Å; S17-Y19 WeakPolarHBondContact O-CD1 3.27Å; S17-Y19 PolarHBondContact O-N 2.86Å; Y19-F21 HydrophobicContact CE2-CD2 4.45Å; Y19-F21 PolarHBondContact O-N 3.48Å; Y19-F21 VanDerWaalsContact O-N 3.08Å; Y19-Y24 AromaticContact CD2-CD2 3.52Å; Y19-Y24 HydrophobicContact CD2-CD2 3.52Å; Y19-Y24 AromaticContact CD2-CE2 3.92Å; Y19-Y24 HydrophobicContact CD2-CE2 3.92Å; Y19-Y24 AromaticContact CE2-CD2 3.83Å; Y19-Y24 HydrophobicContact CE2-CD2 3.83Å; Y19-Y24 HydrophobicContact CE2-CG 4.5Å; Y19-M26 WeakPolarHBondContact OH-CE 3.38Å; Y19-R90 VanDerWaalsContact CD1-NH1 3.33Å; Y19-R90 HydrophobicContact CE2-CG 4.22Å
20	T	95.1	Very high	96	Very high	87 Å²	87	49.6 Å²	49.6	53%	0.534	28%	0.283	S	S	.	.			trans	-69.2	102.4	171.1	-55.8	0	0	0	0	109.8	T22 S23	T20-T22 PolarHBondContact O-N 2.77Å; T20-T22 VanDerWaalsContact O-N 3.14Å; T20-S23 WeakPolarHBondContact CB-OG 3.18Å; T20-S23 WeakPolarHBondContact CG2-OG 3.41Å; T20-S23 WeakPolarHBondContact O-CB 3.1Å; T20-S23 PolarHBondContact O-N 2.89Å
21	F	95.1	Very high	96.1	Very high	7 Å²	7	52.6 Å²	52.6	3%	0.031	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-54.2	-36.6	-173.5	175	-128.7	0	0	0	114	A16 Y19 S23 M26 P45 V64 S69 A71	A16-F21 HydrophobicContact CB-CB 3.99Å; A16-F21 HydrophobicContact CB-CD2 3.37Å; A16-F21 HydrophobicContact CB-CE2 4.07Å; A16-F21 HydrophobicContact CB-CG 3.91Å; Y19-F21 HydrophobicContact CE2-CD2 4.45Å; Y19-F21 PolarHBondContact O-N 3.48Å; Y19-F21 VanDerWaalsContact O-N 3.08Å; F21-S23 PolarHBondContact O-N 3.09Å; F21-M26 HydrophobicContact CE2-CE 3.91Å; F21-P45 HydrophobicContact CD1-CB 3.88Å; F21-P45 HydrophobicContact CD2-CB 4.26Å; F21-P45 HydrophobicContact CD2-CG 4.1Å; F21-P45 HydrophobicContact CE1-CB 3.64Å; F21-P45 HydrophobicContact CE1-CG 4.23Å; F21-P45 HydrophobicContact CE2-CB 4Å; F21-P45 HydrophobicContact CE2-CG 3.67Å; F21-P45 HydrophobicContact CG-CB 4.22Å; F21-P45 HydrophobicContact CZ-CB 3.68Å; F21-P45 HydrophobicContact CZ-CG 3.75Å; F21-V64 HydrophobicContact CD1-CG2 4.47Å; F21-V64 HydrophobicContact CE1-CG2 3.32Å; F21-V64 HydrophobicContact CZ-CG2 3.64Å; F21-S69 VanDerWaalsContact CD1-CA 3.42Å; F21-A71 HydrophobicContact CE2-CB 4.4Å; F21-A71 HydrophobicContact CZ-CB 4.01Å
22	T	96.4	Very high	96	Very high	50 Å²	50	49.4 Å²	49.4	31%	0.307	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-74.1	-6.7	179.3	53.2	0	0	0	0	114.6	T20 N46	T20-T22 PolarHBondContact O-N 2.77Å; T20-T22 VanDerWaalsContact O-N 3.14Å; T22-N46 WeakPolarHBondContact O-CB 3.31Å
23	S	95.4	Very high	95.7	Very high	76 Å²	76	54.7 Å²	54.7	53%	0.531	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-85.1	-9.6	180	-59.3	0	0	0	0	113.9	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.18Å; T20-S23 WeakPolarHBondContact CG2-OG 3.41Å; T20-S23 WeakPolarHBondContact O-CB 3.1Å; T20-S23 PolarHBondContact O-N 2.89Å; F21-S23 PolarHBondContact O-N 3.09Å
24	Y	95.1	Very high	95.5	Very high	97 Å²	97	55.7 Å²	55.7	38%	0.38	34%	0.338	S	S	.	.	S	Bend	trans	-137	143.6	-172.1	-60.7	-86.8	0	0	0	112.2	Y19 P45 R90	Y19-Y24 AromaticContact CD2-CD2 3.52Å; Y19-Y24 HydrophobicContact CD2-CD2 3.52Å; Y19-Y24 AromaticContact CD2-CE2 3.92Å; Y19-Y24 HydrophobicContact CD2-CE2 3.92Å; Y19-Y24 AromaticContact CE2-CD2 3.83Å; Y19-Y24 HydrophobicContact CE2-CD2 3.83Å; Y19-Y24 HydrophobicContact CE2-CG 4.5Å; Y24-P45 WeakPolarHBondContact O-CD 3.48Å; Y24-P45 VanDerWaalsContact O-CG 3.26Å; Y24-P45 WeakPolarHBondContact O-CG 3.16Å; Y24-R90 HydrophobicContact CD1-CG 4.24Å; Y24-R90 HydrophobicContact CD2-CG 4.45Å; Y24-R90 HydrophobicContact CG-CG 3.87Å
25	W	96.8	Very high	95.3	Very high	84 Å²	84	62 Å²	62	32%	0.318	36%	0.36	S	S	.	.			trans	-62.9	142.8	167.7	-62.6	82.3	0	0	0	110.5	R42 D44 G91	W25-R42 HydrophobicContact CE3-CB 4.41Å; W25-R42 HydrophobicContact CE3-CG 3.7Å; W25-R42 HydrophobicContact CZ3-CG 4.19Å; W25-D44 HydrophobicContact CD2-CB 3.97Å; W25-D44 HydrophobicContact CE3-CB 3.6Å; W25-D44 VanDerWaalsContact CE3-N 3.33Å; W25-D44 HydrophobicContact CH2-CB 3.61Å; W25-D44 HydrophobicContact CZ2-CB 3.96Å; W25-D44 HydrophobicContact CZ3-CB 3.43Å; W25-D44 VanDerWaalsContact CZ3-CB 3.43Å; W25-G91 PolarHBondContact O-N 2.82Å
26	M	97.8	Very high	95.2	Very high	5 Å²	5	57.2 Å²	57.2	3%	0.025	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	119.6	169.2	-173.7	64.2	70.1	0	0	109.3	Y19 F21 R42 I43 A71 C88 A89	Y19-M26 WeakPolarHBondContact OH-CE 3.38Å; F21-M26 HydrophobicContact CE2-CE 3.91Å; M26-R42 CarbonylContact O-C 3.5Å; M26-R42 WeakPolarHBondContact O-CA 3.24Å; M26-R42 WeakPolarHBondContact O-CB 3.06Å; M26-I43 HydrophobicContact CB-CG2 4.06Å; M26-I43 PolarHBondContact N-O 2.82Å; M26-I43 PolarHBondContact O-N 2.78Å; M26-A71 HydrophobicContact CB-CB 4.07Å; M26-A71 HydrophobicContact CG-CB 3.66Å; M26-C88 HydrophobicContact CG-CB 4.43Å; M26-C88 HydrophobicContact SD-CB 3.76Å; M26-A89 VanDerWaalsContact SD-O 3.4Å
27	H	98.3	Very high	95.3	Very high	13 Å²	13	61.2 Å²	61.2	6%	0.06	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	147.6	179.2	-68.2	-110.3	0	0	0	110.7	W39 G41 C88 A89 G91 W93	H27-W39 AromaticContact ND1-NE1 3.37Å; H27-W39 PolarHBondContact ND1-NE1 2.9Å; H27-G41 WeakPolarHBondContact CA-O 3.24Å; H27-C88 CarbonylContact O-C 3.56Å; H27-C88 WeakPolarHBondContact O-CA 3.44Å; H27-A89 HydrophobicContact CB-CB 4.35Å; H27-A89 PolarHBondContact N-O 2.88Å; H27-A89 PolarHBondContact O-N 3.14Å; H27-G91 PolarHBondContact NE2-O 2.81Å; H27-W93 HydrophobicContact CB-CE3 4.19Å; H27-W93 HydrophobicContact CB-CH2 3.37Å; H27-W93 HydrophobicContact CB-CZ2 4.16Å; H27-W93 HydrophobicContact CB-CZ3 3.37Å; H27-W93 AromaticContact CE1-CZ2 3.71Å; H27-W93 AromaticContact CG-CH2 3.49Å; H27-W93 VanDerWaalsContact CG-CH2 3.49Å; H27-W93 AromaticContact CG-CZ2 3.75Å; H27-W93 AromaticContact CG-CZ3 3.84Å; H27-W93 AromaticContact ND1-CE2 3.86Å; H27-W93 AromaticContact ND1-CH2 3.19Å; H27-W93 WeakPolarHBondContact ND1-CH2 3.27Å; H27-W93 AromaticContact ND1-CZ2 3.1Å; H27-W93 WeakPolarHBondContact ND1-CZ2 3.5Å
28	W	98.4	Very high	95.5	Very high	5 Å²	5	58.5 Å²	58.5	2%	0.019	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.4	173.3	-70.8	92.5	0	0	0	110.5	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.08Å; L12-W28 HydrophobicContact CB-CZ3 3.99Å; C14-W28 HydrophobicContact CB-CH2 3.84Å; C14-W28 HydrophobicContact CB-CZ2 3.96Å; W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.32Å; W28-I40 WeakPolarHBondContact O-CB 3.02Å; W28-I40 PolarHBondContact O-N 3.18Å; W28-G41 PolarHBondContact N-O 2.55Å; W28-L62 VanDerWaalsContact CD1-CD2 3.5Å; W28-L62 HydrophobicContact CG-CD2 4.06Å; W28-A71 HydrophobicContact CZ2-CB 4.43Å; W28-M73 HydrophobicContact CB-SD 3.86Å; W28-M73 HydrophobicContact CD2-CB 3.61Å; W28-M73 HydrophobicContact CD2-CE 4.27Å; W28-M73 HydrophobicContact CD2-CG 4.42Å; W28-M73 HydrophobicContact CD2-SD 4.06Å; W28-M73 HydrophobicContact CE3-CB 3.9Å; W28-M73 HydrophobicContact CE3-CE 3.72Å; W28-M73 HydrophobicContact CE3-SD 4.12Å; W28-M73 HydrophobicContact CG-CB 4.11Å; W28-M73 HydrophobicContact CG-SD 3.98Å; W28-M73 HydrophobicContact CH2-CB 4.09Å; W28-M73 HydrophobicContact CZ2-CB 3.83Å; W28-M73 HydrophobicContact CZ3-CB 4.12Å; W28-M73 HydrophobicContact CZ3-CE 4.22Å; W28-Y87 WeakPolarHBondContact CA-O 3.37Å; W28-C88 HydrophobicContact CE3-CB 4.33Å; W28-C88 HydrophobicContact CH2-CB 4.48Å; W28-C88 HydrophobicContact CZ3-CB 4.32Å
29	V	98.3	Very high	95.8	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.018	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138.9	-173	-175.9	0	0	0	0	109.7	L37 E38 Y86 Y87 W93 W96	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; V29-E38 WeakPolarHBondContact CA-O 3.3Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.31Å; V29-Y87 PolarHBondContact N-O 2.98Å; V29-Y87 PolarHBondContact O-N 2.9Å; V29-W93 HydrophobicContact CG2-CH2 3.83Å; V29-W93 HydrophobicContact CG2-CZ3 3.44Å; V29-W93 VanDerWaalsContact CG2-CZ3 3.44Å; V29-W96 HydrophobicContact CB-CH2 4.29Å; V29-W96 HydrophobicContact CB-CZ3 3.94Å; V29-W96 HydrophobicContact CG1-CH2 4.24Å; V29-W96 HydrophobicContact CG1-CZ3 4.11Å; V29-W96 HydrophobicContact CG2-CH2 3.83Å; V29-W96 HydrophobicContact CG2-CZ3 3.86Å
30	K	97.7	Very high	96.1	Very high	1 Å²	1	55.1 Å²	55.1	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	137.8	174.3	-179.1	-180	-178.5	-179.7	0	109.6	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.34Å; K30-E38 PolarHBondContact N-O 3.4Å; K30-E38 PolarHBondContact O-N 2.95Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; K30-F56 HydrophobicContact CD-CE1 3.97Å; K30-F56 HydrophobicContact CD-CZ 4.18Å; K30-E81 PolarHBondContact NZ-O 2.86Å; K30-D82 IonicContact NZ-OD1 3.5Å; K30-D82 PolarHBondContact NZ-OD1 2.84Å; K30-A84 HydrophobicContact CD-CB 4.2Å; K30-A84 HydrophobicContact CG-CB 3.57Å; K30-Y86 HydrophobicContact CB-CD1 4.08Å; K30-Y86 HydrophobicContact CB-CE1 3.85Å; K30-Y86 HydrophobicContact CD-CE1 3.96Å; K30-Y86 HydrophobicContact CG-CD1 4.3Å; K30-Y86 HydrophobicContact CG-CE1 3.77Å
31	Q	97.6	Very high	96.3	Very high	68 Å²	68	51 Å²	51	32%	0.318	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	115.9	170.6	-167.1	-177.3	29.3	0	0	110.1	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.87Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; Q31-A84 WeakPolarHBondContact O-CA 3.37Å; Q31-A84 VanDerWaalsContact O-CB 3.26Å; Q31-A84 WeakPolarHBondContact O-CB 3.44Å; Q31-V85 PolarHBondContact N-O 2.81Å; Q31-V85 PolarHBondContact O-N 3.31Å; Q31-Y87 HydrophobicContact CB-CD2 4.39Å; Q31-Y87 HydrophobicContact CB-CE2 3.81Å; Q31-Y87 PolarHBondContact OE1-OH 2.89Å
32	R	95.4	Very high	96.4	Very high	48 Å²	48	54 Å²	54	18%	0.181	30%	0.296	C	S	.	.			trans	-86.7	151.3	172.4	-53.1	-172.7	-149.5	-161.2	-6.2	110.1	G34 R35 E38 E81 A84	R32-G34 PolarHBondContact O-N 3.01Å; R32-R35 HydrophobicContact CB-CB 4.08Å; R32-R35 HydrophobicContact CB-CG 4.3Å; R32-R35 PolarHBondContact O-N 3.03Å; R32-E38 IonicContact CZ-OE2 2.86Å; R32-E38 IonicContact NE-OE2 3.48Å; R32-E38 PolarHBondContact NE-OE2 3.1Å; R32-E38 IonicContact NH2-OE1 3.31Å; R32-E38 IonicContact NH2-OE2 3.81Å; R32-E38 PolarHBondContact NH2-OE2 2.95Å; R32-E81 IonicContact NH1-OE2 3.85Å; R32-A84 HydrophobicContact CG-CB 4.31Å
33	P	91.7	Very high	96.5	Very high	118 Å²	118	51.8 Å²	51.8	77%	0.766	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	128.8	172.9	-25.4	34.5	0	0	0	111.4	R35	P33-R35 PolarHBondContact O-N 3.05Å
34	G	92.5	Very high	96.6	Very high	94 Å²	94	49.3 Å²	49.3	97%	0.969	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	10.3	179.8	0	0	0	0	0	115.7	R32	R32-G34 PolarHBondContact O-N 3.01Å
35	R	93.8	Very high	96.7	Very high	147 Å²	147	44.7 Å²	44.7	56%	0.555	25%	0.245	S	C	*	.	S	Bend	trans	-120.1	159.8	177.3	-67.8	-174.3	143.8	-161.9	-0.6	112	R32 P33	R32-R35 HydrophobicContact CB-CB 4.08Å; R32-R35 HydrophobicContact CB-CG 4.3Å; R32-R35 PolarHBondContact O-N 3.03Å; P33-R35 PolarHBondContact O-N 3.05Å
36	G	93.8	Very high	96.8	Very high	55 Å²	55	45.1 Å²	45.1	57%	0.567	25%	0.253	S	S	*	.			trans	-67.3	172.7	172.5	0	0	0	0	0	113.2
37	L	96.4	Very high	96.7	Very high	96 Å²	96	48.8 Å²	48.8	50%	0.503	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	129.7	176.2	-63.6	173.6	0	0	0	110.8	V29 Q31 W96	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; Q31-L37 HydrophobicContact CB-CD2 3.87Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; L37-W96 HydrophobicContact CD1-CH2 3.92Å; L37-W96 HydrophobicContact CD1-CZ3 4.41Å
38	E	97.4	Very high	96.6	Very high	35 Å²	35	49.7 Å²	49.7	16%	0.164	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	112.2	175.5	-59.1	-172.9	84.6	0	0	109.3	V29 K30 R32 I40 F56	V29-E38 WeakPolarHBondContact CA-O 3.3Å; K30-E38 HydrophobicContact CB-CB 4.34Å; K30-E38 PolarHBondContact N-O 3.4Å; K30-E38 PolarHBondContact O-N 2.95Å; R32-E38 IonicContact CZ-OE2 2.86Å; R32-E38 IonicContact NE-OE2 3.48Å; R32-E38 PolarHBondContact NE-OE2 3.1Å; R32-E38 IonicContact NH2-OE1 3.31Å; R32-E38 IonicContact NH2-OE2 3.81Å; R32-E38 PolarHBondContact NH2-OE2 2.95Å; E38-I40 PolarHBondContact O-N 3.42Å; E38-F56 HydrophobicContact CB-CE2 4.29Å; E38-F56 HydrophobicContact CB-CZ 4.15Å
39	W	97.8	Very high	96.6	Very high	69 Å²	69	50.9 Å²	50.9	26%	0.261	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	126.6	174.9	-178.1	56.9	0	0	0	111.2	H27 G41 R42 K51 N53 W93	H27-W39 AromaticContact ND1-NE1 3.37Å; H27-W39 PolarHBondContact ND1-NE1 2.9Å; W39-G41 VanDerWaalsContact CE2-C 3.48Å; W39-G41 PolarHBondContact NE1-O 2.91Å; W39-R42 HydrophobicContact CZ2-CB 4.06Å; W39-R42 HydrophobicContact CZ2-CG 3.99Å; W39-K51 HydrophobicContact CH2-CB 4.31Å; W39-K51 HydrophobicContact CH2-CD 4.16Å; W39-K51 HydrophobicContact CH2-CG 4.01Å; W39-N53 HydrophobicContact CE3-CB 3.89Å; W39-N53 HydrophobicContact CZ3-CB 4.13Å; W39-N53 WeakPolarHBondContact O-CB 3.47Å; W39-N53 PolarHBondContact O-ND2 3.37Å; W39-W93 AromaticContact CD1-CH2 3.43Å; W39-W93 VanDerWaalsContact CD1-CH2 3.43Å; W39-W93 HydrophobicContact CG-CH2 4.32Å; W39-W93 AromaticContact NE1-CH2 3.75Å
40	I	98.3	Very high	96.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-50	-179.7	-58.8	174.7	0	0	0	110.2	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.32Å; W28-I40 WeakPolarHBondContact O-CB 3.02Å; W28-I40 PolarHBondContact O-N 3.18Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; E38-I40 PolarHBondContact O-N 3.42Å; I40-N53 PolarHBondContact O-N 3.35Å; I40-F56 HydrophobicContact CB-CB 4.45Å; I40-F56 HydrophobicContact CB-CD2 4.34Å; I40-F56 HydrophobicContact CB-CG 4.24Å; I40-F56 HydrophobicContact CG1-CD1 4.19Å; I40-F56 HydrophobicContact CG1-CD2 4.29Å; I40-F56 HydrophobicContact CG1-CE1 4.25Å; I40-F56 HydrophobicContact CG1-CE2 4.33Å; I40-F56 HydrophobicContact CG1-CG 4.2Å; I40-F56 HydrophobicContact CG1-CZ 4.32Å; I40-F56 HydrophobicContact CG2-CB 3.67Å; I40-F56 HydrophobicContact CG2-CD1 4.26Å; I40-F56 HydrophobicContact CG2-CD2 4.44Å; I40-F56 HydrophobicContact CG2-CG 3.89Å; I40-A60 HydrophobicContact CG2-CB 3.67Å; I40-M73 HydrophobicContact CD1-CE 3.86Å; I40-M73 HydrophobicContact CD1-SD 3.53Å; I40-M73 VanDerWaalsContact CD1-SD 3.53Å; I40-M73 HydrophobicContact CG2-SD 3.91Å; I40-Y86 HydrophobicContact CD1-CD1 3.74Å; I40-Y86 HydrophobicContact CD1-CE1 3.78Å
41	G	98.2	Very high	96.6	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.6	-179.8	-172.7	0	0	0	0	0	112.6	H27 W28 W39 K51	H27-G41 WeakPolarHBondContact CA-O 3.24Å; W28-G41 PolarHBondContact N-O 2.55Å; W39-G41 VanDerWaalsContact CE2-C 3.48Å; W39-G41 PolarHBondContact NE1-O 2.91Å; G41-K51 CarbonylContact C-O 3.56Å; G41-K51 WeakPolarHBondContact CA-O 3.34Å
42	R	98.1	Very high	96.6	Very high	70 Å²	70	58.6 Å²	58.6	26%	0.264	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	154.5	172.5	71.3	-179.3	-170.5	160	3.6	111	W25 M26 W39 T50 K51	W25-R42 HydrophobicContact CE3-CB 4.41Å; W25-R42 HydrophobicContact CE3-CG 3.7Å; W25-R42 HydrophobicContact CZ3-CG 4.19Å; M26-R42 CarbonylContact O-C 3.5Å; M26-R42 WeakPolarHBondContact O-CA 3.24Å; M26-R42 WeakPolarHBondContact O-CB 3.06Å; W39-R42 HydrophobicContact CZ2-CB 4.06Å; W39-R42 HydrophobicContact CZ2-CG 3.99Å; R42-T50 WeakPolarHBondContact O-CA 3.15Å; R42-K51 HydrophobicContact CG-CB 4.15Å; R42-K51 PolarHBondContact N-O 2.93Å; R42-K51 PolarHBondContact O-N 3.2Å
43	I	98.4	Very high	96.7	Very high	3 Å²	3	58.6 Å²	58.6	2%	0.015	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138	171.9	-174.1	165.6	0	0	0	109.3	M26 P45 G49 T50 L62 V64 A71	M26-I43 HydrophobicContact CB-CG2 4.06Å; M26-I43 PolarHBondContact N-O 2.82Å; M26-I43 PolarHBondContact O-N 2.78Å; I43-P45 WeakPolarHBondContact O-CD 3.47Å; I43-G49 CarbonylContact C-O 3.52Å; I43-G49 WeakPolarHBondContact CA-O 3.44Å; I43-T50 HydrophobicContact CB-CG2 4.06Å; I43-T50 HydrophobicContact CD1-CG2 3.95Å; I43-T50 HydrophobicContact CG1-CG2 3.84Å; I43-L62 HydrophobicContact CB-CB 4.1Å; I43-L62 HydrophobicContact CB-CD1 4.3Å; I43-L62 HydrophobicContact CD1-CB 4.22Å; I43-L62 HydrophobicContact CG2-CB 4.46Å; I43-V64 HydrophobicContact CD1-CB 4.09Å; I43-V64 HydrophobicContact CD1-CG1 4.21Å; I43-A71 HydrophobicContact CG2-CB 4.45Å
44	D	97.8	Very high	96.9	Very high	24 Å²	24	59.3 Å²	59.3	13%	0.128	34%	0.34	C	S	.	.			trans	-83.3	112.7	166.3	174.1	5.1	0	0	0	108.4	W25 N46 S47 G48 G49	W25-D44 HydrophobicContact CD2-CB 3.97Å; W25-D44 HydrophobicContact CE3-CB 3.6Å; W25-D44 VanDerWaalsContact CE3-N 3.33Å; W25-D44 HydrophobicContact CH2-CB 3.61Å; W25-D44 HydrophobicContact CZ2-CB 3.96Å; W25-D44 HydrophobicContact CZ3-CB 3.43Å; W25-D44 VanDerWaalsContact CZ3-CB 3.43Å; D44-N46 PolarHBondContact O-N 2.9Å; D44-N46 WeakPolarHBondContact OD1-CA 3.17Å; D44-N46 VanDerWaalsContact OD1-CB 3.27Å; D44-N46 WeakPolarHBondContact OD1-CB 3.41Å; D44-N46 PolarHBondContact OD1-N 3.2Å; D44-S47 WeakPolarHBondContact CB-OG 3.37Å; D44-S47 VanDerWaalsContact CG-OG 3.25Å; D44-S47 WeakPolarHBondContact OD2-CB 3.33Å; D44-S47 PolarHBondContact OD2-N 3.22Å; D44-S47 PolarHBondContact OD2-OG 3.07Å; D44-G48 WeakPolarHBondContact O-CA 3.4Å; D44-G48 PolarHBondContact O-N 2.78Å; D44-G49 PolarHBondContact N-O 2.87Å
45	P	97.3	Very high	97	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.1	178.9	-22.4	36.4	0	0	0	113.7	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.88Å; F21-P45 HydrophobicContact CD2-CB 4.26Å; F21-P45 HydrophobicContact CD2-CG 4.1Å; F21-P45 HydrophobicContact CE1-CB 3.64Å; F21-P45 HydrophobicContact CE1-CG 4.23Å; F21-P45 HydrophobicContact CE2-CB 4Å; F21-P45 HydrophobicContact CE2-CG 3.67Å; F21-P45 HydrophobicContact CG-CB 4.22Å; F21-P45 HydrophobicContact CZ-CB 3.68Å; F21-P45 HydrophobicContact CZ-CG 3.75Å; Y24-P45 WeakPolarHBondContact O-CD 3.48Å; Y24-P45 VanDerWaalsContact O-CG 3.26Å; Y24-P45 WeakPolarHBondContact O-CG 3.16Å; I43-P45 WeakPolarHBondContact O-CD 3.47Å; P45-V64 HydrophobicContact CB-CG2 3.91Å; P45-K66 WeakPolarHBondContact O-CE 3.47Å
46	N	96.9	Very high	97.1	Very high	94 Å²	94	55.7 Å²	55.7	50%	0.503	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-56.6	177.2	-171.9	34.2	0	0	0	112.2	T22 D44 K66	T22-N46 WeakPolarHBondContact O-CB 3.31Å; D44-N46 PolarHBondContact O-N 2.9Å; D44-N46 WeakPolarHBondContact OD1-CA 3.17Å; D44-N46 VanDerWaalsContact OD1-CB 3.27Å; D44-N46 WeakPolarHBondContact OD1-CB 3.41Å; D44-N46 PolarHBondContact OD1-N 3.2Å; N46-K66 VanDerWaalsContact O-CE 3.23Å; N46-K66 WeakPolarHBondContact O-CE 3.48Å; N46-K66 PolarHBondContact O-NZ 3.37Å
47	S	96.9	Very high	97.1	Very high	81 Å²	81	58.3 Å²	58.3	57%	0.566	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-20.1	-176.5	65.2	0	0	0	0	114.2	D44 G49	D44-S47 WeakPolarHBondContact CB-OG 3.37Å; D44-S47 VanDerWaalsContact CG-OG 3.25Å; D44-S47 WeakPolarHBondContact OD2-CB 3.33Å; D44-S47 PolarHBondContact OD2-N 3.22Å; D44-S47 PolarHBondContact OD2-OG 3.07Å; S47-G49 PolarHBondContact O-N 2.88Å; S47-G49 PolarHBondContact OG-N 3.48Å; S47-G49 VanDerWaalsContact OG-N 3.13Å
48	G	96.4	Very high	97	Very high	33 Å²	33	59.1 Å²	59.1	34%	0.34	31%	0.311	S	S	.	.			trans	76.5	3.1	-167.3	0	0	0	0	0	113.6	D44 T50	D44-G48 WeakPolarHBondContact O-CA 3.4Å; D44-G48 PolarHBondContact O-N 2.78Å; G48-T50 PolarHBondContact O-N 3.21Å
49	G	97.8	Very high	97	Very high	30 Å²	30	59.4 Å²	59.4	31%	0.309	31%	0.311	S	S	.	.			trans	-61.6	132.4	178.8	0	0	0	0	0	111.7	I43 D44 S47	I43-G49 CarbonylContact C-O 3.52Å; I43-G49 WeakPolarHBondContact CA-O 3.44Å; D44-G49 PolarHBondContact N-O 2.87Å; S47-G49 PolarHBondContact O-N 2.88Å; S47-G49 PolarHBondContact OG-N 3.48Å; S47-G49 VanDerWaalsContact OG-N 3.13Å
50	T	98.2	Very high	96.9	Very high	65 Å²	65	56.2 Å²	56.2	40%	0.399	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	148.4	-178.2	54.9	0	0	0	0	111.8	R42 I43 G48 Y52 L62	R42-T50 WeakPolarHBondContact O-CA 3.15Å; I43-T50 HydrophobicContact CB-CG2 4.06Å; I43-T50 HydrophobicContact CD1-CG2 3.95Å; I43-T50 HydrophobicContact CG1-CG2 3.84Å; G48-T50 PolarHBondContact O-N 3.21Å; T50-Y52 HydrophobicContact CG2-CE2 4.46Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.14Å; T50-L62 HydrophobicContact CG2-CB 3.99Å
51	K	98	Very high	97	Very high	123 Å²	123	59.6 Å²	59.6	54%	0.535	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	135.2	167.7	-170.9	-177.1	178.5	177.8	0	108.4	W39 G41 R42	W39-K51 HydrophobicContact CH2-CB 4.31Å; W39-K51 HydrophobicContact CH2-CD 4.16Å; W39-K51 HydrophobicContact CH2-CG 4.01Å; G41-K51 CarbonylContact C-O 3.56Å; G41-K51 WeakPolarHBondContact CA-O 3.34Å; R42-K51 HydrophobicContact CG-CB 4.15Å; R42-K51 PolarHBondContact N-O 2.93Å; R42-K51 PolarHBondContact O-N 3.2Å
52	Y	98.3	Very high	97	Very high	46 Å²	46	60 Å²	60	18%	0.18	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	154.9	-178.5	-65.1	-88.2	0	0	0	111.1	T50 K57 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.46Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.14Å; Y52-K57 HydrophobicContact CD2-CG 4.48Å; Y52-K57 HydrophobicContact CG-CG 4.39Å; Y52-A60 HydrophobicContact CE1-CB 4.32Å; Y52-A60 WeakPolarHBondContact CE1-O 3.47Å; Y52-L62 HydrophobicContact CE1-CD1 4.05Å; Y52-L62 HydrophobicContact CE1-CD2 4.49Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 2.92Å
53	N	97.5	Very high	97	Very high	48 Å²	48	59.4 Å²	59.4	26%	0.257	33%	0.327	S	S	.	.			trans	-76.4	132.7	153.4	180	-20.4	0	0	0	108.1	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.89Å; W39-N53 HydrophobicContact CZ3-CB 4.13Å; W39-N53 WeakPolarHBondContact O-CB 3.47Å; W39-N53 PolarHBondContact O-ND2 3.37Å; I40-N53 PolarHBondContact O-N 3.35Å; N53-K55 PolarHBondContact O-N 2.84Å; N53-K55 PolarHBondContact OD1-N 2.82Å; N53-F56 HydrophobicContact CB-CD2 4.07Å; N53-F56 PolarHBondContact O-N 2.82Å; N53-K57 PolarHBondContact O-N 3.06Å
54	E	95.9	Very high	97	Very high	132 Å²	132	61.1 Å²	61.1	62%	0.617	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-30.4	-175.8	-68.2	-60.8	144.3	0	0	112.7	F56 K57	E54-F56 PolarHBondContact O-N 3.29Å; E54-K57 PolarHBondContact O-N 3.37Å; E54-K57 IonicContact OE1-NZ 2.88Å; E54-K57 PolarHBondContact OE1-NZ 2.89Å; E54-K57 WeakPolarHBondContact OE2-CD 3.03Å; E54-K57 IonicContact OE2-NZ 3.21Å; E54-K57 PolarHBondContact OE2-NZ 2.79Å
55	K	94	Very high	96.9	Very high	155 Å²	155	62.7 Å²	62.7	67%	0.674	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.2	174.9	-68.5	-176.3	179.2	180	0	114.4	N53	N53-K55 PolarHBondContact O-N 2.84Å; N53-K55 PolarHBondContact OD1-N 2.82Å
56	F	95.9	Very high	96.8	Very high	10 Å²	10	67.6 Å²	67.6	4%	0.044	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-5.7	-173	-63	-82.2	0	0	0	113.3	K30 E38 I40 N53 E54 S58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.97Å; K30-F56 HydrophobicContact CD-CZ 4.18Å; E38-F56 HydrophobicContact CB-CE2 4.29Å; E38-F56 HydrophobicContact CB-CZ 4.15Å; I40-F56 HydrophobicContact CB-CB 4.45Å; I40-F56 HydrophobicContact CB-CD2 4.34Å; I40-F56 HydrophobicContact CB-CG 4.24Å; I40-F56 HydrophobicContact CG1-CD1 4.19Å; I40-F56 HydrophobicContact CG1-CD2 4.29Å; I40-F56 HydrophobicContact CG1-CE1 4.25Å; I40-F56 HydrophobicContact CG1-CE2 4.33Å; I40-F56 HydrophobicContact CG1-CG 4.2Å; I40-F56 HydrophobicContact CG1-CZ 4.32Å; I40-F56 HydrophobicContact CG2-CB 3.67Å; I40-F56 HydrophobicContact CG2-CD1 4.26Å; I40-F56 HydrophobicContact CG2-CD2 4.44Å; I40-F56 HydrophobicContact CG2-CG 3.89Å; N53-F56 HydrophobicContact CB-CD2 4.07Å; N53-F56 PolarHBondContact O-N 2.82Å; E54-F56 PolarHBondContact O-N 3.29Å; F56-S58 VanDerWaalsContact C-N 3.28Å; F56-S58 PolarHBondContact O-N 3.04Å; F56-K59 PolarHBondContact O-N 2.9Å; F56-A60 HydrophobicContact CB-CB 4.46Å; F56-A60 PolarHBondContact O-N 2.86Å
57	K	94.1	Very high	96.7	Very high	111 Å²	111	69 Å²	69	48%	0.483	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-32.8	-172.6	-170.2	177.4	-172.4	174.3	0	114	Y52 N53 E54	Y52-K57 HydrophobicContact CD2-CG 4.48Å; Y52-K57 HydrophobicContact CG-CG 4.39Å; N53-K57 PolarHBondContact O-N 3.06Å; E54-K57 PolarHBondContact O-N 3.37Å; E54-K57 IonicContact OE1-NZ 2.88Å; E54-K57 PolarHBondContact OE1-NZ 2.89Å; E54-K57 WeakPolarHBondContact OE2-CD 3.03Å; E54-K57 IonicContact OE2-NZ 3.21Å; E54-K57 PolarHBondContact OE2-NZ 2.79Å
58	S	94.7	Very high	96.7	Very high	113 Å²	113	66.8 Å²	66.8	79%	0.79	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-10.7	175.4	57	0	0	0	0	113.7	F56	F56-S58 VanDerWaalsContact C-N 3.28Å; F56-S58 PolarHBondContact O-N 3.04Å
59	K	95.6	Very high	96.7	Very high	40 Å²	40	67.1 Å²	67.1	17%	0.174	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-30.3	-168	-163.5	163.1	-164	171.3	0	113.8	F56 L75 S76 D82	F56-K59 PolarHBondContact O-N 2.9Å; K59-L75 WeakPolarHBondContact O-CA 3.11Å; K59-S76 WeakPolarHBondContact CE-O 3.15Å; K59-S76 PolarHBondContact O-N 2.78Å; K59-S76 PolarHBondContact O-OG 2.91Å; K59-D82 VanDerWaalsContact CE-CG 3.48Å; K59-D82 VanDerWaalsContact CE-OD1 3.31Å; K59-D82 WeakPolarHBondContact CE-OD1 3.21Å; K59-D82 WeakPolarHBondContact CE-OD2 3.48Å; K59-D82 IonicContact NZ-OD1 2.82Å; K59-D82 PolarHBondContact NZ-OD1 3.46Å; K59-D82 IonicContact NZ-OD2 2.55Å; K59-D82 PolarHBondContact NZ-OD2 2.98Å
60	A	97.8	Very high	96.8	Very high	2 Å²	2	66.1 Å²	66.1	2%	0.017	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.2	-177	0	0	0	0	0	110.8	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.67Å; Y52-A60 HydrophobicContact CE1-CB 4.32Å; Y52-A60 WeakPolarHBondContact CE1-O 3.47Å; F56-A60 HydrophobicContact CB-CB 4.46Å; F56-A60 PolarHBondContact O-N 2.86Å; A60-M73 HydrophobicContact CB-CG 4.29Å; A60-M73 HydrophobicContact CB-SD 4.32Å; A60-Q74 CarbonylContact C-O 3.57Å; A60-Q74 WeakPolarHBondContact CA-O 3.34Å; A60-L75 HydrophobicContact CB-CD2 3.95Å
61	T	98.3	Very high	96.7	Very high	71 Å²	71	63 Å²	63	44%	0.436	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	119.7	169.2	-58.8	0	0	0	0	108.9	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.32Å; T61-M73 WeakPolarHBondContact O-CA 3.2Å; T61-Q74 PolarHBondContact N-O 2.03Å; T61-Q74 PolarHBondContact O-N 3.4Å
62	L	98.5	Very high	96.8	Very high	9 Å²	9	59.6 Å²	59.6	5%	0.047	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	132.8	177.8	-51.8	-175.4	0	0	0	110.6	W28 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.5Å; W28-L62 HydrophobicContact CG-CD2 4.06Å; I43-L62 HydrophobicContact CB-CB 4.1Å; I43-L62 HydrophobicContact CB-CD1 4.3Å; I43-L62 HydrophobicContact CD1-CB 4.22Å; I43-L62 HydrophobicContact CG2-CB 4.46Å; T50-L62 HydrophobicContact CG2-CB 3.99Å; Y52-L62 HydrophobicContact CE1-CD1 4.05Å; Y52-L62 HydrophobicContact CE1-CD2 4.49Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 2.92Å; L62-Y72 WeakPolarHBondContact CA-O 3.47Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.21Å
63	T	98.3	Very high	96.8	Very high	57 Å²	57	57.4 Å²	57.4	35%	0.35	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	165	176.5	55.4	0	0	0	0	110.8	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.32Å; T63-Y72 PolarHBondContact N-O 2.67Å; T63-Y72 PolarHBondContact O-N 3.28Å
64	V	97.9	Very high	96.8	Very high	40 Å²	40	59.2 Å²	59.2	24%	0.242	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	141.4	-179.5	64.7	0	0	0	0	110.7	F21 I43 P45 K66	F21-V64 HydrophobicContact CD1-CG2 4.47Å; F21-V64 HydrophobicContact CE1-CG2 3.32Å; F21-V64 HydrophobicContact CZ-CG2 3.64Å; I43-V64 HydrophobicContact CD1-CB 4.09Å; I43-V64 HydrophobicContact CD1-CG1 4.21Å; P45-V64 HydrophobicContact CB-CG2 3.91Å; V64-K66 HydrophobicContact CG2-CG 4.48Å
65	D	97.1	Very high	96.9	Very high	57 Å²	57	53 Å²	53	31%	0.305	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	103.5	166.8	177.6	17.1	0	0	0	108.8	P67 S68 S69 T70 Y72	D65-P67 WeakPolarHBondContact OD1-CD 3.2Å; D65-S68 WeakPolarHBondContact OD2-CB 3.42Å; D65-S68 PolarHBondContact OD2-OG 2.81Å; D65-S69 PolarHBondContact O-N 2.94Å; D65-S69 VanDerWaalsContact O-N 3.14Å; D65-T70 PolarHBondContact N-O 3.02Å; D65-T70 PolarHBondContact O-N 3.35Å; D65-Y72 HydrophobicContact CB-CE2 3.76Å
66	K	95.4	Very high	97	Very high	102 Å²	102	47.3 Å²	47.3	44%	0.443	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-49.2	-176.3	-62.5	175.5	179.5	178.1	0	112	P45 N46 V64 S68 S69	P45-K66 WeakPolarHBondContact O-CE 3.47Å; N46-K66 VanDerWaalsContact O-CE 3.23Å; N46-K66 WeakPolarHBondContact O-CE 3.48Å; N46-K66 PolarHBondContact O-NZ 3.37Å; V64-K66 HydrophobicContact CG2-CG 4.48Å; K66-S68 VanDerWaalsContact C-N 3.27Å; K66-S68 PolarHBondContact O-N 3.02Å; K66-S69 PolarHBondContact O-N 2.85Å
67	P	94.7	Very high	97	Very high	123 Å²	123	50.7 Å²	50.7	80%	0.799	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-42.6	175.9	-30.6	31.4	0	0	0	114.8	D65	D65-P67 WeakPolarHBondContact OD1-CD 3.2Å
68	S	96.6	Very high	97.1	Very high	36 Å²	36	45.5 Å²	45.5	25%	0.252	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-2.7	179.6	73.4	0	0	0	0	114.3	D65 K66 T70	D65-S68 WeakPolarHBondContact OD2-CB 3.42Å; D65-S68 PolarHBondContact OD2-OG 2.81Å; K66-S68 VanDerWaalsContact C-N 3.27Å; K66-S68 PolarHBondContact O-N 3.02Å; S68-T70 VanDerWaalsContact C-N 3.27Å; S68-T70 PolarHBondContact O-N 3.17Å; S68-T70 PolarHBondContact O-OG1 3.34Å; S68-T70 VanDerWaalsContact OG-CB 3.3Å; S68-T70 WeakPolarHBondContact OG-CB 3.01Å; S68-T70 PolarHBondContact OG-OG1 2.92Å
69	S	97.1	Very high	97.2	Very high	40 Å²	40	42.9 Å²	42.9	28%	0.28	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	42.6	-172.3	-61.9	0	0	0	0	113.1	A16 F21 D65 K66	A16-S69 PolarHBondContact N-O 3.31Å; F21-S69 VanDerWaalsContact CD1-CA 3.42Å; D65-S69 PolarHBondContact O-N 2.94Å; D65-S69 VanDerWaalsContact O-N 3.14Å; K66-S69 PolarHBondContact O-N 2.85Å
70	T	98.1	Very high	97.1	Very high	9 Å²	9	45 Å²	45	6%	0.055	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.1	-174.8	-50.6	0	0	0	0	111.2	C14 K15 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 2.98Å; K15-T70 HydrophobicContact CB-CG2 4.47Å; D65-T70 PolarHBondContact N-O 3.02Å; D65-T70 PolarHBondContact O-N 3.35Å; S68-T70 VanDerWaalsContact C-N 3.27Å; S68-T70 PolarHBondContact O-N 3.17Å; S68-T70 PolarHBondContact O-OG1 3.34Å; S68-T70 VanDerWaalsContact OG-CB 3.3Å; S68-T70 WeakPolarHBondContact OG-CB 3.01Å; S68-T70 PolarHBondContact OG-OG1 2.92Å; T70-Y72 HydrophobicContact CG2-CD1 4.23Å; T70-Y72 HydrophobicContact CG2-CD2 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.65Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å
71	A	98	Very high	96.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	147.8	165.4	0	0	0	0	0	109.7	S13 C14 F21 M26 W28 I43	S13-A71 CarbonylContact C-O 3.56Å; S13-A71 WeakPolarHBondContact CA-O 3.43Å; C14-A71 PolarHBondContact N-O 3.02Å; C14-A71 PolarHBondContact O-N 3.24Å; F21-A71 HydrophobicContact CE2-CB 4.4Å; F21-A71 HydrophobicContact CZ-CB 4.01Å; M26-A71 HydrophobicContact CB-CB 4.07Å; M26-A71 HydrophobicContact CG-CB 3.66Å; W28-A71 HydrophobicContact CZ2-CB 4.43Å; I43-A71 HydrophobicContact CG2-CB 4.45Å
72	Y	98.3	Very high	96.8	Very high	50 Å²	50	47.7 Å²	47.7	20%	0.196	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	147.6	176.8	-57.6	-86.8	0	0	0	111.3	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.27Å; K11-Y72 VanDerWaalsContact CE-CB 3.49Å; K11-Y72 HydrophobicContact CG-CD1 4.16Å; L12-Y72 CarbonylContact O-C 3.59Å; L12-Y72 WeakPolarHBondContact O-CA 3.37Å; S13-Y72 VanDerWaalsContact CB-CD1 3.49Å; S13-Y72 VanDerWaalsContact CB-CE1 3.41Å; L62-Y72 WeakPolarHBondContact CA-O 3.47Å; T63-Y72 PolarHBondContact N-O 2.67Å; T63-Y72 PolarHBondContact O-N 3.28Å; D65-Y72 HydrophobicContact CB-CE2 3.76Å; T70-Y72 HydrophobicContact CG2-CD1 4.23Å; T70-Y72 HydrophobicContact CG2-CD2 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.65Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å
73	M	98.3	Very high	96.7	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	119.1	166.6	177	178.1	69.3	0	0	108.6	L12 W28 I40 A60 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.75Å; L12-M73 PolarHBondContact N-O 3.1Å; L12-M73 PolarHBondContact O-N 3.24Å; W28-M73 HydrophobicContact CB-SD 3.86Å; W28-M73 HydrophobicContact CD2-CB 3.61Å; W28-M73 HydrophobicContact CD2-CE 4.27Å; W28-M73 HydrophobicContact CD2-CG 4.42Å; W28-M73 HydrophobicContact CD2-SD 4.06Å; W28-M73 HydrophobicContact CE3-CB 3.9Å; W28-M73 HydrophobicContact CE3-CE 3.72Å; W28-M73 HydrophobicContact CE3-SD 4.12Å; W28-M73 HydrophobicContact CG-CB 4.11Å; W28-M73 HydrophobicContact CG-SD 3.98Å; W28-M73 HydrophobicContact CH2-CB 4.09Å; W28-M73 HydrophobicContact CZ2-CB 3.83Å; W28-M73 HydrophobicContact CZ3-CB 4.12Å; W28-M73 HydrophobicContact CZ3-CE 4.22Å; I40-M73 HydrophobicContact CD1-CE 3.86Å; I40-M73 HydrophobicContact CD1-SD 3.53Å; I40-M73 VanDerWaalsContact CD1-SD 3.53Å; I40-M73 HydrophobicContact CG2-SD 3.91Å; A60-M73 HydrophobicContact CB-CG 4.29Å; A60-M73 HydrophobicContact CB-SD 4.32Å; T61-M73 WeakPolarHBondContact O-CA 3.2Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.21Å; M73-L75 HydrophobicContact CE-CD1 3.91Å; M73-L75 HydrophobicContact CE-CD2 4.18Å; M73-L75 HydrophobicContact CE-CG 4.01Å; M73-L75 HydrophobicContact CG-CD2 4.34Å; M73-L75 HydrophobicContact CG-CG 4.34Å; M73-L75 HydrophobicContact SD-CD2 4.08Å; M73-L75 HydrophobicContact SD-CG 4.41Å; M73-Y86 HydrophobicContact CE-CD1 3.58Å; M73-Y86 HydrophobicContact CE-CE1 4.08Å; M73-Y86 HydrophobicContact CE-CG 4.24Å
74	Q	98.1	Very high	96.7	Very high	87 Å²	87	46.5 Å²	46.5	41%	0.407	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.1	169.8	-176	173.5	-3.4	0	0	109.2	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.5Å; V10-Q74 VanDerWaalsContact O-CA 3.24Å; V10-Q74 WeakPolarHBondContact O-CA 2.99Å; A60-Q74 CarbonylContact C-O 3.57Å; A60-Q74 WeakPolarHBondContact CA-O 3.34Å; T61-Q74 PolarHBondContact N-O 2.03Å; T61-Q74 PolarHBondContact O-N 3.4Å
75	L	97.5	Very high	96.7	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.9	171.5	-63.5	166.8	0	0	0	108.8	S9 V10 L12 K59 A60 M73 L78 Y86 L102	S9-L75 CarbonylContact C-O 3.37Å; S9-L75 WeakPolarHBondContact CA-O 3.32Å; S9-L75 WeakPolarHBondContact CB-O 3.38Å; V10-L75 HydrophobicContact CG1-CB 3.88Å; V10-L75 HydrophobicContact CG1-CD1 4.17Å; V10-L75 HydrophobicContact CG1-CG 4.45Å; V10-L75 PolarHBondContact N-O 2.8Å; V10-L75 PolarHBondContact O-N 2.86Å; L12-L75 HydrophobicContact CD1-CD1 4.48Å; K59-L75 WeakPolarHBondContact O-CA 3.11Å; A60-L75 HydrophobicContact CB-CD2 3.95Å; M73-L75 HydrophobicContact CE-CD1 3.91Å; M73-L75 HydrophobicContact CE-CD2 4.18Å; M73-L75 HydrophobicContact CE-CG 4.01Å; M73-L75 HydrophobicContact CG-CD2 4.34Å; M73-L75 HydrophobicContact CG-CG 4.34Å; M73-L75 HydrophobicContact SD-CD2 4.08Å; M73-L75 HydrophobicContact SD-CG 4.41Å; L75-L78 HydrophobicContact CB-CD2 3.76Å; L75-L78 HydrophobicContact CD1-CD2 4.33Å; L75-Y86 HydrophobicContact CD1-CD1 4.23Å; L75-Y86 HydrophobicContact CD1-CE1 3.58Å; L75-Y86 HydrophobicContact CD1-CE2 4.17Å; L75-L102 HydrophobicContact CD1-CD2 4.12Å
76	S	96.8	Very high	96.8	Very high	35 Å²	35	43.7 Å²	43.7	25%	0.245	25%	0.254	C	S	.	.			trans	-109.4	158.7	179.9	56.3	0	0	0	0	112.4	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.4Å; K59-S76 WeakPolarHBondContact CE-O 3.15Å; K59-S76 PolarHBondContact O-N 2.78Å; K59-S76 PolarHBondContact O-OG 2.91Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.94Å
77	S	95.9	Very high	96.9	Very high	82 Å²	82	41 Å²	41	57%	0.573	24%	0.242	S	C	*	.	S	Bend	trans	49.4	53.1	172.9	-57.9	0	0	0	0	112.6	A8	A8-S77 PolarHBondContact O-N 2.79Å
78	L	96.6	Very high	97	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	21%	0.208	C	C	.	.			trans	-63.5	142	-173.5	-69.2	173.3	0	0	0	112.3	V4 P6 G7 A8 V10 L75 S76 D82 L102 V104	V4-L78 HydrophobicContact CB-CD1 4.45Å; V4-L78 HydrophobicContact CG2-CD1 3.48Å; V4-L78 VanDerWaalsContact CG2-CD1 3.48Å; P6-L78 CarbonylContact C-O 3.51Å; P6-L78 WeakPolarHBondContact CA-O 3.34Å; G7-L78 PolarHBondContact N-O 2.82Å; A8-L78 WeakPolarHBondContact O-CB 3.24Å; A8-L78 WeakPolarHBondContact O-CG 3.47Å; A8-L78 PolarHBondContact O-N 2.8Å; V10-L78 HydrophobicContact CB-CD1 4.16Å; V10-L78 HydrophobicContact CG1-CD1 3.77Å; V10-L78 HydrophobicContact CG1-CD2 4.47Å; L75-L78 HydrophobicContact CB-CD2 3.76Å; L75-L78 HydrophobicContact CD1-CD2 4.33Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.94Å; L78-D82 VanDerWaalsContact CA-OD2 3.3Å; L78-D82 WeakPolarHBondContact CA-OD2 3.25Å; L78-D82 HydrophobicContact CD2-CB 3.72Å; L78-L102 HydrophobicContact CD1-CD2 4.16Å; L78-L102 HydrophobicContact CD2-CD2 4.06Å; L78-V104 HydrophobicContact CB-CG1 4.16Å; L78-V104 HydrophobicContact CB-CG2 4.07Å; L78-V104 HydrophobicContact CD1-CG2 4.35Å
79	T	96.1	Very high	97.1	Very high	59 Å²	59	34.2 Å²	34.2	36%	0.362	20%	0.197	S	C	.	.			trans	-123.9	168.3	173.9	66.8	0	0	0	0	109.7	E81 D82 V104	T79-E81 PolarHBondContact O-N 2.84Å; T79-E81 VanDerWaalsContact O-N 3.09Å; T79-D82 PolarHBondContact N-OD2 2.85Å; T79-D82 WeakPolarHBondContact O-CB 3.33Å; T79-D82 PolarHBondContact O-N 2.84Å; T79-V104 WeakPolarHBondContact O-CB 3.23Å; T79-V104 WeakPolarHBondContact O-CG2 3.2Å
80	S	94.8	Very high	97	Very high	85 Å²	85	34.6 Å²	34.6	59%	0.594	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-54	-30.6	176.5	53.7	0	0	0	0	112.8	D82 S83	S80-D82 PolarHBondContact O-N 2.86Å; S80-S83 VanDerWaalsContact O-CB 3.3Å; S80-S83 WeakPolarHBondContact O-CB 3.36Å; S80-S83 PolarHBondContact O-N 2.9Å; S80-S83 VanDerWaalsContact O-N 3.1Å; S80-S83 PolarHBondContact O-OG 2.94Å
81	E	93.1	Very high	96.6	Very high	124 Å²	124	34.6 Å²	34.6	58%	0.579	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-66.8	-14.8	176	-62.7	-168.3	-172.2	0	0	114.7	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.86Å; R32-E81 IonicContact NH1-OE2 3.85Å; T79-E81 PolarHBondContact O-N 2.84Å; T79-E81 VanDerWaalsContact O-N 3.09Å; E81-S83 VanDerWaalsContact C-N 3.29Å
82	D	95.7	Very high	96.2	Very high	5 Å²	5	42 Å²	42	3%	0.027	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-82.4	-8.2	173.5	-58.4	-49.4	0	0	0	113.5	K30 K59 L78 T79 S80 A84 Y86 V104	K30-D82 IonicContact NZ-OD1 3.5Å; K30-D82 PolarHBondContact NZ-OD1 2.84Å; K59-D82 VanDerWaalsContact CE-CG 3.48Å; K59-D82 VanDerWaalsContact CE-OD1 3.31Å; K59-D82 WeakPolarHBondContact CE-OD1 3.21Å; K59-D82 WeakPolarHBondContact CE-OD2 3.48Å; K59-D82 IonicContact NZ-OD1 2.82Å; K59-D82 PolarHBondContact NZ-OD1 3.46Å; K59-D82 IonicContact NZ-OD2 2.55Å; K59-D82 PolarHBondContact NZ-OD2 2.98Å; L78-D82 VanDerWaalsContact CA-OD2 3.3Å; L78-D82 WeakPolarHBondContact CA-OD2 3.25Å; L78-D82 HydrophobicContact CD2-CB 3.72Å; T79-D82 PolarHBondContact N-OD2 2.85Å; T79-D82 WeakPolarHBondContact O-CB 3.33Å; T79-D82 PolarHBondContact O-N 2.84Å; S80-D82 PolarHBondContact O-N 2.86Å; D82-A84 PolarHBondContact O-N 2.86Å; D82-Y86 WeakPolarHBondContact O-CE2 3.41Å; D82-Y86 PolarHBondContact O-OH 2.85Å; D82-V104 HydrophobicContact CB-CG2 4.18Å
83	S	97.2	Very high	95.9	Very high	35 Å²	35	44.4 Å²	44.4	25%	0.245	24%	0.242	C	C	.	.			trans	-61.9	113.1	173.3	-56.8	0	0	0	0	110.2	S80 E81 L102 V104	S80-S83 VanDerWaalsContact O-CB 3.3Å; S80-S83 WeakPolarHBondContact O-CB 3.36Å; S80-S83 PolarHBondContact O-N 2.9Å; S80-S83 VanDerWaalsContact O-N 3.1Å; S80-S83 PolarHBondContact O-OG 2.94Å; E81-S83 VanDerWaalsContact C-N 3.29Å; S83-L102 CarbonylContact C-O 3.4Å; S83-L102 VanDerWaalsContact CA-O 3.27Å; S83-L102 WeakPolarHBondContact CA-O 3.16Å; S83-V104 PolarHBondContact OG-N 3.45Å
84	A	97.6	Very high	95.5	Very high	6 Å²	6	48.8 Å²	48.8	5%	0.05	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	170.7	-169.8	0	0	0	0	0	110.8	K30 Q31 R32 D82 Y86 L102	K30-A84 HydrophobicContact CD-CB 4.2Å; K30-A84 HydrophobicContact CG-CB 3.57Å; Q31-A84 WeakPolarHBondContact O-CA 3.37Å; Q31-A84 VanDerWaalsContact O-CB 3.26Å; Q31-A84 WeakPolarHBondContact O-CB 3.44Å; R32-A84 HydrophobicContact CG-CB 4.31Å; D82-A84 PolarHBondContact O-N 2.86Å; A84-Y86 HydrophobicContact CB-CD2 4.34Å; A84-Y86 HydrophobicContact CB-CE2 3.83Å; A84-L102 PolarHBondContact N-O 2.56Å; A84-L102 PolarHBondContact O-N 3.23Å
85	V	98.2	Very high	95.3	Very high	34 Å²	34	50.8 Å²	50.8	21%	0.206	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.4	162.2	-168.7	0	0	0	0	108.7	Q31 Y87	Q31-V85 PolarHBondContact N-O 2.81Å; Q31-V85 PolarHBondContact O-N 3.31Å; V85-Y87 HydrophobicContact CB-CE2 3.72Å; V85-Y87 HydrophobicContact CG1-CD2 4.27Å; V85-Y87 HydrophobicContact CG1-CE1 3.91Å; V85-Y87 HydrophobicContact CG1-CE2 3.54Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.43Å
86	Y	98.3	Very high	95.2	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.016	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.6	179.2	-71.2	-90	0	0	0	110.2	L12 V29 K30 I40 M73 L75 D82 A84 G99 T100 L102	L12-Y86 HydrophobicContact CD1-CD1 4.39Å; L12-Y86 HydrophobicContact CD1-CD2 4.12Å; L12-Y86 HydrophobicContact CD1-CG 3.78Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.31Å; K30-Y86 HydrophobicContact CB-CD1 4.08Å; K30-Y86 HydrophobicContact CB-CE1 3.85Å; K30-Y86 HydrophobicContact CD-CE1 3.96Å; K30-Y86 HydrophobicContact CG-CD1 4.3Å; K30-Y86 HydrophobicContact CG-CE1 3.77Å; I40-Y86 HydrophobicContact CD1-CD1 3.74Å; I40-Y86 HydrophobicContact CD1-CE1 3.78Å; M73-Y86 HydrophobicContact CE-CD1 3.58Å; M73-Y86 HydrophobicContact CE-CE1 4.08Å; M73-Y86 HydrophobicContact CE-CG 4.24Å; L75-Y86 HydrophobicContact CD1-CD1 4.23Å; L75-Y86 HydrophobicContact CD1-CE1 3.58Å; L75-Y86 HydrophobicContact CD1-CE2 4.17Å; D82-Y86 WeakPolarHBondContact O-CE2 3.41Å; D82-Y86 PolarHBondContact O-OH 2.85Å; A84-Y86 HydrophobicContact CB-CD2 4.34Å; A84-Y86 HydrophobicContact CB-CE2 3.83Å; Y86-G99 CarbonylContact O-C 3.57Å; Y86-G99 VanDerWaalsContact O-CA 3.24Å; Y86-G99 WeakPolarHBondContact O-CA 3.33Å; Y86-T100 PolarHBondContact N-O 2.97Å; Y86-T100 PolarHBondContact O-N 2.96Å; Y86-L102 HydrophobicContact CD2-CB 3.87Å; Y86-L102 HydrophobicContact CD2-CD2 4.35Å; Y86-L102 HydrophobicContact CE2-CB 3.78Å; Y86-L102 HydrophobicContact CE2-CD2 3.71Å; Y86-L102 HydrophobicContact CE2-CG 4.37Å
87	Y	98.3	Very high	95.1	Very high	45 Å²	45	53.9 Å²	53.9	18%	0.176	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	148	-178	-59.4	-87.9	0	0	0	110.5	W28 V29 Q31 V85 W96 G97 G99	W28-Y87 WeakPolarHBondContact CA-O 3.37Å; V29-Y87 PolarHBondContact N-O 2.98Å; V29-Y87 PolarHBondContact O-N 2.9Å; Q31-Y87 HydrophobicContact CB-CD2 4.39Å; Q31-Y87 HydrophobicContact CB-CE2 3.81Å; Q31-Y87 PolarHBondContact OE1-OH 2.89Å; V85-Y87 HydrophobicContact CB-CE2 3.72Å; V85-Y87 HydrophobicContact CG1-CD2 4.27Å; V85-Y87 HydrophobicContact CG1-CE1 3.91Å; V85-Y87 HydrophobicContact CG1-CE2 3.54Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.43Å; Y87-W96 HydrophobicContact CG-CE3 4.18Å; Y87-W96 HydrophobicContact CG-CZ3 4.38Å; Y87-G97 WeakPolarHBondContact CD1-O 3.3Å; Y87-G99 VanDerWaalsContact CD1-CA 3.42Å
88	C	97.4	Very high	95.1	Very high	15 Å²	15	58.5 Å²	58.5	10%	0.101	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	148.8	158.9	61.5	0	0	0	0	109.8	C14 M26 H27 W28 G97	C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 2.92Å; C14-C88 WeakPolarHBondContact SG-CB 3.34Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.94Å; M26-C88 HydrophobicContact CG-CB 4.43Å; M26-C88 HydrophobicContact SD-CB 3.76Å; H27-C88 CarbonylContact O-C 3.56Å; H27-C88 WeakPolarHBondContact O-CA 3.44Å; W28-C88 HydrophobicContact CE3-CB 4.33Å; W28-C88 HydrophobicContact CH2-CB 4.48Å; W28-C88 HydrophobicContact CZ3-CB 4.32Å; C88-G97 PolarHBondContact O-N 3.41Å
89	A	97.3	Very high	95.1	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.008	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	147.4	176.1	0	0	0	0	0	111.1	M26 H27 W93 Y95 W96	M26-A89 VanDerWaalsContact SD-O 3.4Å; H27-A89 HydrophobicContact CB-CB 4.35Å; H27-A89 PolarHBondContact N-O 2.88Å; H27-A89 PolarHBondContact O-N 3.14Å; A89-W93 HydrophobicContact CB-CE3 3.44Å; A89-W93 VanDerWaalsContact CB-CE3 3.44Å; A89-W93 HydrophobicContact CB-CZ3 3.72Å; A89-Y95 CarbonylContact C-O 3.56Å; A89-Y95 VanDerWaalsContact CA-O 3.24Å; A89-Y95 WeakPolarHBondContact CA-O 3.43Å; A89-W96 HydrophobicContact CB-CD2 3.76Å; A89-W96 HydrophobicContact CB-CE3 4.03Å; A89-W96 HydrophobicContact CB-CG 4.15Å; A89-W96 HydrophobicContact CB-CH2 4.44Å; A89-W96 HydrophobicContact CB-CZ2 4.2Å; A89-W96 HydrophobicContact CB-CZ3 4.37Å
90	R	94.9	Very high	95.1	Very high	49 Å²	49	59.3 Å²	59.3	19%	0.185	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	141.3	-178.7	-176.3	-178	72	-179.2	4	110.8	Y19 Y24 D92 W93 D94 Y95	Y19-R90 VanDerWaalsContact CD1-NH1 3.33Å; Y19-R90 HydrophobicContact CE2-CG 4.22Å; Y24-R90 HydrophobicContact CD1-CG 4.24Å; Y24-R90 HydrophobicContact CD2-CG 4.45Å; Y24-R90 HydrophobicContact CG-CG 3.87Å; R90-D92 PolarHBondContact O-N 3.21Å; R90-W93 WeakPolarHBondContact O-CA 3.26Å; R90-W93 PolarHBondContact O-N 2.82Å; R90-D94 IonicContact CZ-OD1 3.92Å; R90-D94 IonicContact CZ-OD2 3.44Å; R90-D94 IonicContact NE-OD1 3.2Å; R90-D94 PolarHBondContact NE-OD1 2.79Å; R90-D94 IonicContact NE-OD2 3.4Å; R90-D94 PolarHBondContact NE-OD2 2.6Å; R90-D94 IonicContact NH2-OD1 3.75Å; R90-D94 IonicContact NH2-OD2 2.67Å; R90-D94 PolarHBondContact NH2-OD2 3.33Å; R90-D94 VanDerWaalsContact O-OD1 3.11Å; R90-Y95 PolarHBondContact N-O 3.08Å
91	G	90.5	Very high	95.2	Very high	9 Å²	9	58.1 Å²	58.1	9%	0.093	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	-123.2	161.7	0	0	0	0	0	113.8	W25 H27 W93	W25-G91 PolarHBondContact O-N 2.82Å; H27-G91 PolarHBondContact NE2-O 2.81Å; G91-W93 PolarHBondContact O-N 3.13Å
92	D	89.8	Confident	95.4	Very high	156 Å²	156	52.2 Å²	52.2	83%	0.834	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	28.5	179.5	-61.5	-43.1	0	0	0	113.7	R90 D94	R90-D92 PolarHBondContact O-N 3.21Å; D92-D94 PolarHBondContact O-N 3.48Å
93	W	92.1	Very high	95.5	Very high	99 Å²	99	54.8 Å²	54.8	38%	0.375	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	22	-179.8	-45.2	94.4	0	0	0	114.4	H27 V29 W39 A89 R90 G91 Y95 W96	H27-W93 HydrophobicContact CB-CE3 4.19Å; H27-W93 HydrophobicContact CB-CH2 3.37Å; H27-W93 HydrophobicContact CB-CZ2 4.16Å; H27-W93 HydrophobicContact CB-CZ3 3.37Å; H27-W93 AromaticContact CE1-CZ2 3.71Å; H27-W93 AromaticContact CG-CH2 3.49Å; H27-W93 VanDerWaalsContact CG-CH2 3.49Å; H27-W93 AromaticContact CG-CZ2 3.75Å; H27-W93 AromaticContact CG-CZ3 3.84Å; H27-W93 AromaticContact ND1-CE2 3.86Å; H27-W93 AromaticContact ND1-CH2 3.19Å; H27-W93 WeakPolarHBondContact ND1-CH2 3.27Å; H27-W93 AromaticContact ND1-CZ2 3.1Å; H27-W93 WeakPolarHBondContact ND1-CZ2 3.5Å; V29-W93 HydrophobicContact CG2-CH2 3.83Å; V29-W93 HydrophobicContact CG2-CZ3 3.44Å; V29-W93 VanDerWaalsContact CG2-CZ3 3.44Å; W39-W93 AromaticContact CD1-CH2 3.43Å; W39-W93 VanDerWaalsContact CD1-CH2 3.43Å; W39-W93 HydrophobicContact CG-CH2 4.32Å; W39-W93 AromaticContact NE1-CH2 3.75Å; A89-W93 HydrophobicContact CB-CE3 3.44Å; A89-W93 VanDerWaalsContact CB-CE3 3.44Å; A89-W93 HydrophobicContact CB-CZ3 3.72Å; R90-W93 WeakPolarHBondContact O-CA 3.26Å; R90-W93 PolarHBondContact O-N 2.82Å; G91-W93 PolarHBondContact O-N 3.13Å; W93-Y95 VanDerWaalsContact C-N 3.32Å; W93-W96 HydrophobicContact CB-CZ2 4.29Å; W93-W96 HydrophobicContact CD2-CZ2 4.23Å; W93-W96 AromaticContact CE3-CH2 3.79Å; W93-W96 HydrophobicContact CE3-CH2 3.79Å; W93-W96 AromaticContact CE3-CZ2 3.41Å; W93-W96 HydrophobicContact CE3-CZ2 3.41Å; W93-W96 VanDerWaalsContact CE3-CZ2 3.41Å; W93-W96 AromaticContact CZ3-CH2 3.93Å; W93-W96 HydrophobicContact CZ3-CH2 3.93Å; W93-W96 HydrophobicContact CZ3-CZ2 4.04Å; W93-W96 PolarHBondContact O-NE1 3.19Å
94	D	89.7	Confident	95.4	Very high	93 Å²	93	53.4 Å²	53.4	50%	0.497	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-24.8	-176.4	65	-23.9	0	0	0	113	R90 D92	R90-D94 IonicContact CZ-OD1 3.92Å; R90-D94 IonicContact CZ-OD2 3.44Å; R90-D94 IonicContact NE-OD1 3.2Å; R90-D94 PolarHBondContact NE-OD1 2.79Å; R90-D94 IonicContact NE-OD2 3.4Å; R90-D94 PolarHBondContact NE-OD2 2.6Å; R90-D94 IonicContact NH2-OD1 3.75Å; R90-D94 IonicContact NH2-OD2 2.67Å; R90-D94 PolarHBondContact NH2-OD2 3.33Å; R90-D94 VanDerWaalsContact O-OD1 3.11Å; D92-D94 PolarHBondContact O-N 3.48Å
95	Y	92.9	Very high	95.2	Very high	128 Å²	128	58.5 Å²	58.5	50%	0.502	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	137	176.5	-174.2	-93.4	0	0	0	112.1	A89 R90 W93	A89-Y95 CarbonylContact C-O 3.56Å; A89-Y95 VanDerWaalsContact CA-O 3.24Å; A89-Y95 WeakPolarHBondContact CA-O 3.43Å; R90-Y95 PolarHBondContact N-O 3.08Å; W93-Y95 VanDerWaalsContact C-N 3.32Å
96	W	96.1	Very high	95	Very high	83 Å²	83	59.7 Å²	59.7	31%	0.314	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139.3	-179.5	-69.2	69.7	0	0	0	110.9	V29 L37 Y87 A89 W93	V29-W96 HydrophobicContact CB-CH2 4.29Å; V29-W96 HydrophobicContact CB-CZ3 3.94Å; V29-W96 HydrophobicContact CG1-CH2 4.24Å; V29-W96 HydrophobicContact CG1-CZ3 4.11Å; V29-W96 HydrophobicContact CG2-CH2 3.83Å; V29-W96 HydrophobicContact CG2-CZ3 3.86Å; L37-W96 HydrophobicContact CD1-CH2 3.92Å; L37-W96 HydrophobicContact CD1-CZ3 4.41Å; Y87-W96 HydrophobicContact CG-CE3 4.18Å; Y87-W96 HydrophobicContact CG-CZ3 4.38Å; A89-W96 HydrophobicContact CB-CD2 3.76Å; A89-W96 HydrophobicContact CB-CE3 4.03Å; A89-W96 HydrophobicContact CB-CG 4.15Å; A89-W96 HydrophobicContact CB-CH2 4.44Å; A89-W96 HydrophobicContact CB-CZ2 4.2Å; A89-W96 HydrophobicContact CB-CZ3 4.37Å; W93-W96 HydrophobicContact CB-CZ2 4.29Å; W93-W96 HydrophobicContact CD2-CZ2 4.23Å; W93-W96 AromaticContact CE3-CH2 3.79Å; W93-W96 HydrophobicContact CE3-CH2 3.79Å; W93-W96 AromaticContact CE3-CZ2 3.41Å; W93-W96 HydrophobicContact CE3-CZ2 3.41Å; W93-W96 VanDerWaalsContact CE3-CZ2 3.41Å; W93-W96 AromaticContact CZ3-CH2 3.93Å; W93-W96 HydrophobicContact CZ3-CH2 3.93Å; W93-W96 HydrophobicContact CZ3-CZ2 4.04Å; W93-W96 PolarHBondContact O-NE1 3.19Å
97	G	95.4	Very high	94.9	Very high	18 Å²	18	62.6 Å²	62.6	19%	0.186	33%	0.329	C	S	.	.			trans	-66.5	160.3	166.4	0	0	0	0	0	111.3	Y87 C88 G99	Y87-G97 WeakPolarHBondContact CD1-O 3.3Å; C88-G97 PolarHBondContact O-N 3.41Å; G97-G99 PolarHBondContact O-N 2.99Å
98	Q	94.9	Very high	94.7	Very high	180 Å²	180	63.6 Å²	63.6	84%	0.841	34%	0.337	S	S	*	.			trans	-61.2	-18.7	179.6	-64.7	-63.1	-45.1	0	0	113.6
99	G	96.1	Very high	94.5	Very high	27 Å²	27	66.5 Å²	66.5	28%	0.278	35%	0.351	S	S	.	.			trans	86.4	150.6	-177.3	0	0	0	0	0	112.6	Y86 Y87 G97	Y86-G99 CarbonylContact O-C 3.57Å; Y86-G99 VanDerWaalsContact O-CA 3.24Å; Y86-G99 WeakPolarHBondContact O-CA 3.33Å; Y87-G99 VanDerWaalsContact CD1-CA 3.42Å; G97-G99 PolarHBondContact O-N 2.99Å
100	T	97.1	Very high	94.3	Very high	49 Å²	49	70.6 Å²	70.6	30%	0.301	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	116.8	176.3	-59.9	0	0	0	0	109	L12 Y86 L102	L12-T100 HydrophobicContact CD2-CG2 3.98Å; Y86-T100 PolarHBondContact N-O 2.97Å; Y86-T100 PolarHBondContact O-N 2.96Å; T100-L102 PolarHBondContact O-N 2.92Å
101	T	97.6	Very high	94.3	Very high	61 Å²	61	72 Å²	72	37%	0.374	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	121.5	171.2	-48.3	0	0	0	0	109.8	A1 E2	A1-T101 CarbonylContact C-O 3.57Å; A1-T101 WeakPolarHBondContact CA-O 3.21Å; E2-T101 PolarHBondContact N-O 3.14Å
102	L	96.8	Very high	94.6	Very high	0 Å²	0	76.5 Å²	76.5	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.5	169.7	-179.9	67.2	0	0	0	108.3	E2 V4 V10 L75 L78 S83 A84 Y86 T100 V104	E2-L102 HydrophobicContact CB-CD1 3.99Å; E2-L102 HydrophobicContact CG-CD1 4.34Å; E2-L102 CarbonylContact O-C 3.51Å; E2-L102 WeakPolarHBondContact O-CA 3.26Å; V4-L102 HydrophobicContact CG1-CD1 4.23Å; V4-L102 HydrophobicContact CG2-CD1 3.84Å; V10-L102 HydrophobicContact CB-CD1 4.49Å; V10-L102 HydrophobicContact CG1-CD1 4.22Å; V10-L102 HydrophobicContact CG1-CD2 3.88Å; V10-L102 HydrophobicContact CG2-CD1 4.35Å; L75-L102 HydrophobicContact CD1-CD2 4.12Å; L78-L102 HydrophobicContact CD1-CD2 4.16Å; L78-L102 HydrophobicContact CD2-CD2 4.06Å; S83-L102 CarbonylContact C-O 3.4Å; S83-L102 VanDerWaalsContact CA-O 3.27Å; S83-L102 WeakPolarHBondContact CA-O 3.16Å; A84-L102 PolarHBondContact N-O 2.56Å; A84-L102 PolarHBondContact O-N 3.23Å; Y86-L102 HydrophobicContact CD2-CB 3.87Å; Y86-L102 HydrophobicContact CD2-CD2 4.35Å; Y86-L102 HydrophobicContact CE2-CB 3.78Å; Y86-L102 HydrophobicContact CE2-CD2 3.71Å; Y86-L102 HydrophobicContact CE2-CG 4.37Å; T100-L102 PolarHBondContact O-N 2.92Å; L102-V104 HydrophobicContact CG-CG2 4.38Å
103	T	97.1	Very high	94.9	Very high	58 Å²	58	70.4 Å²	70.4	36%	0.356	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	129	175.3	-55.6	0	0	0	0	108.9	E2 L3 V4	E2-T103 PolarHBondContact O-N 3.27Å; L3-T103 WeakPolarHBondContact CA-O 3.42Å; L3-T103 HydrophobicContact CD1-CG2 3.75Å; V4-T103 PolarHBondContact N-O 2.72Å
104	V	96.4	Very high	95.2	Very high	7 Å²	7	68 Å²	68	4%	0.042	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	110.2	179.4	-170	0	0	0	0	108.8	V4 P6 L78 T79 D82 S83 L102	V4-V104 HydrophobicContact CG2-CB 4.38Å; V4-V104 HydrophobicContact CG2-CG1 4.38Å; V4-V104 HydrophobicContact CG2-CG2 3.81Å; V4-V104 VanDerWaalsContact O-CA 3.31Å; V4-V104 WeakPolarHBondContact O-CA 3.01Å; P6-V104 HydrophobicContact CB-CG1 4.45Å; P6-V104 HydrophobicContact CG-CG1 4.17Å; L78-V104 HydrophobicContact CB-CG1 4.16Å; L78-V104 HydrophobicContact CB-CG2 4.07Å; L78-V104 HydrophobicContact CD1-CG2 4.35Å; T79-V104 WeakPolarHBondContact O-CB 3.23Å; T79-V104 WeakPolarHBondContact O-CG2 3.2Å; D82-V104 HydrophobicContact CB-CG2 4.18Å; S83-V104 PolarHBondContact OG-N 3.45Å; L102-V104 HydrophobicContact CG-CG2 4.38Å
105	S	92	Very high	95.7	Very high	112 Å²	112	65.7 Å²	65.7	78%	0.783	36%	0.362	S	S	*	.			trans	-145.2	0	-177.1	67.7	0	0	0	0	112.5	L3 V4	L3-S105 WeakPolarHBondContact CD1-OG 3.3Å; V4-S105 PolarHBondContact O-N 3.23Å; V4-S105 VanDerWaalsContact O-N 3.1Å

Retrieved 105 of 105 residues in 37.7 ms (Link to these results)

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