X5J559_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J559, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 96 aa.

						>X5J559_MOUSE|X5J559
PELVKPGASVKISCKASGYSFTGYFMKWVKQSHGKSLEWIGRINPYNGDTFYNQKFKGKATLTVDKSSSTAHMELRSLTSEDSAVYYCASYYSYDF
					

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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	P	75.4	Confident	90.9	Very high	186 Å²	186	104.2 Å²	104.2	100%	1.208	60%	0.599	S	S	*	*				0	123.1	0	13	8.9	0	0	0	110.5
2	E	85.4	Confident	91.4	Very high	137 Å²	137	98.7 Å²	98.7	64%	0.64	57%	0.565	S	S	*	*			trans	-106.4	129.6	178.3	-168.7	175.7	170.6	0	0	108.9	V4 V10	E2-V4 HydrophobicContact CG-CG1 4.1Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.37Å; E2-V10 VanDerWaalsContact OE2-CG2 3.31Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.32Å
3	L	89.3	Confident	91.9	Very high	176 Å²	176	96.7 Å²	96.7	92%	0.921	56%	0.561	S	S	*	*			trans	-104.6	125.2	176.6	-67.6	174	0	0	0	108.5
4	V	90.6	Very high	92.3	Very high	62 Å²	62	90.8 Å²	90.8	38%	0.376	53%	0.528	S	S	.	.			trans	-128.6	149.3	-176.1	-65.4	0	0	0	0	110	E2 A8 V10 L78	E2-V4 HydrophobicContact CG-CG1 4.1Å; V4-A8 HydrophobicContact CB-CB 4.5Å; V4-V10 HydrophobicContact CG1-CB 4.43Å; V4-V10 HydrophobicContact CG1-CG2 4.38Å; V4-L78 HydrophobicContact CB-CD1 4.43Å; V4-L78 HydrophobicContact CG2-CD1 3.47Å; V4-L78 VanDerWaalsContact CG2-CD1 3.47Å
5	K	90.5	Very high	92.6	Very high	177 Å²	177	95.3 Å²	95.3	77%	0.77	54%	0.538	S	S	*	.			trans	-70.2	147.6	176.8	-64.7	-178.9	-177.7	179	0	110	G7 A8	K5-G7 PolarHBondContact O-N 3.29Å; K5-A8 WeakPolarHBondContact O-CB 3.32Å; K5-A8 PolarHBondContact O-N 3.02Å; K5-A8 VanDerWaalsContact O-N 3.12Å
6	P	92	Very high	92.8	Very high	120 Å²	120	89.9 Å²	89.9	78%	0.779	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	141.2	169.5	-25.2	34.5	0	0	0	111.6	A8	P6-A8 PolarHBondContact O-N 3.24Å
7	G	93.2	Very high	92.9	Very high	51 Å²	51	90.5 Å²	90.5	53%	0.526	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	-11.5	-176.7	0	0	0	0	0	115.1	K5 L78	K5-G7 PolarHBondContact O-N 3.29Å; G7-L78 PolarHBondContact N-O 3.43Å
8	A	95.4	Very high	92.9	Very high	36 Å²	36	90.6 Å²	90.6	30%	0.298	54%	0.544	S	S	.	.			trans	-70.2	166.8	174.9	0	0	0	0	0	111.9	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.5Å; K5-A8 WeakPolarHBondContact O-CB 3.32Å; K5-A8 PolarHBondContact O-N 3.02Å; K5-A8 VanDerWaalsContact O-N 3.12Å; P6-A8 PolarHBondContact O-N 3.24Å; A8-S77 PolarHBondContact O-N 3.13Å; A8-L78 WeakPolarHBondContact O-CB 3.33Å; A8-L78 VanDerWaalsContact O-CG 3.28Å; A8-L78 WeakPolarHBondContact O-CG 3.35Å; A8-L78 PolarHBondContact O-N 3.42Å
9	S	95.8	Very high	92.7	Very high	64 Å²	64	89.6 Å²	89.6	45%	0.448	53%	0.53	S	S	.	.			trans	-109.4	148.9	169.4	-57.1	0	0	0	0	110	L75 R76	S9-L75 CarbonylContact C-O 3.42Å; S9-L75 WeakPolarHBondContact CA-O 3.36Å; S9-L75 WeakPolarHBondContact CB-O 2.87Å; S9-R76 WeakPolarHBondContact OG-CA 3.49Å
10	V	95.9	Very high	92.7	Very high	17 Å²	17	89 Å²	89	10%	0.103	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144.3	175.3	72	0	0	0	0	110.1	E2 V4 I12 E74 L75 L78	E2-V10 WeakPolarHBondContact OE1-CG2 3.37Å; E2-V10 VanDerWaalsContact OE2-CG2 3.31Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.32Å; V4-V10 HydrophobicContact CG1-CB 4.43Å; V4-V10 HydrophobicContact CG1-CG2 4.38Å; V10-I12 HydrophobicContact CG1-CG1 4.4Å; V10-E74 CarbonylContact O-C 3.52Å; V10-E74 VanDerWaalsContact O-CA 3.31Å; V10-E74 WeakPolarHBondContact O-CA 3.48Å; V10-L75 HydrophobicContact CG1-CB 4.13Å; V10-L75 HydrophobicContact CG1-CD1 4.41Å; V10-L75 PolarHBondContact N-O 2.97Å; V10-L75 PolarHBondContact O-N 2.89Å; V10-L78 HydrophobicContact CB-CD1 4.01Å; V10-L78 HydrophobicContact CG1-CD1 3.75Å
11	K	96.8	Very high	92.8	Very high	120 Å²	120	85.1 Å²	85.1	52%	0.522	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	111.2	175.1	-173.9	179.2	178.2	-175.5	0	109.9	H72	K11-H72 VanDerWaalsContact CE-CB 3.45Å; K11-H72 WeakPolarHBondContact CE-ND1 3.14Å; K11-H72 HydrophobicContact CG-CB 4.27Å
12	I	97	Very high	93.7	Very high	38 Å²	38	78.7 Å²	78.7	20%	0.195	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	136.8	176.8	-56.9	165	0	0	0	108.3	V10 W28 H72 M73 L75 Y86	V10-I12 HydrophobicContact CG1-CG1 4.4Å; I12-W28 HydrophobicContact CB-CH2 4.44Å; I12-W28 HydrophobicContact CB-CZ3 4.21Å; I12-W28 HydrophobicContact CG2-CH2 4.04Å; I12-W28 HydrophobicContact CG2-CZ3 3.65Å; I12-H72 CarbonylContact O-C 3.54Å; I12-H72 WeakPolarHBondContact O-CA 3.38Å; I12-M73 HydrophobicContact CD1-CE 3.69Å; I12-M73 PolarHBondContact N-O 2.95Å; I12-M73 PolarHBondContact O-N 2.99Å; I12-L75 HydrophobicContact CD1-CD1 4.11Å; I12-Y86 HydrophobicContact CD1-CD1 4.4Å; I12-Y86 HydrophobicContact CD1-CD2 3.96Å; I12-Y86 HydrophobicContact CD1-CG 3.83Å
13	S	97.6	Very high	94.1	Very high	73 Å²	73	72.8 Å²	72.8	51%	0.51	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139.9	-178	-55.6	0	0	0	0	111	H72	S13-H72 WeakPolarHBondContact CB-ND1 3.43Å; S13-H72 PolarHBondContact OG-CE1 2.83Å; S13-H72 PolarHBondContact OG-ND1 3.48Å
14	C	97.5	Very high	94.3	Very high	14 Å²	14	67.5 Å²	67.5	10%	0.095	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	107.7	177.1	179.6	0	0	0	0	109.4	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.63Å; C14-W28 HydrophobicContact CB-CZ2 3.95Å; C14-W28 HydrophobicContact CB-CZ3 4.41Å; C14-T70 CarbonylContact O-C 3.56Å; C14-T70 WeakPolarHBondContact O-CA 3.42Å; C14-A71 PolarHBondContact N-O 2.78Å; C14-A71 PolarHBondContact O-N 3.15Å; C14-C88 HydrophobicContact CB-CB 3.51Å; C14-C88 WeakPolarHBondContact CB-SG 3.23Å; C14-C88 WeakPolarHBondContact SG-CB 3.44Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.15Å
15	K	97.3	Very high	94.5	Very high	158 Å²	158	65.2 Å²	65.2	69%	0.687	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	122.5	179.4	-173.5	174.7	-178.2	178.5	0	110	T70	K15-T70 HydrophobicContact CB-CG2 4.49Å
16	A	95.3	Very high	94.9	Very high	10 Å²	10	56.9 Å²	56.9	8%	0.083	36%	0.358	C	S	.	.			trans	-79.9	150.1	174.7	0	0	0	0	0	111.1	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 4.25Å; A16-Y19 HydrophobicContact CB-CE2 4.06Å; A16-Y19 WeakPolarHBondContact CB-OH 3.44Å; A16-F21 HydrophobicContact CB-CB 4.35Å; A16-F21 HydrophobicContact CB-CD2 3.41Å; A16-F21 VanDerWaalsContact CB-CD2 3.41Å; A16-F21 HydrophobicContact CB-CE2 4.02Å; A16-F21 HydrophobicContact CB-CG 4.18Å; A16-S69 PolarHBondContact N-O 3.3Å
17	S	94.3	Very high	95.1	Very high	100 Å²	100	53.9 Å²	53.9	70%	0.699	33%	0.332	S	S	*	.			trans	-153.4	153.4	173.4	62.6	0	0	0	0	110.6	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.43Å; S17-Y19 WeakPolarHBondContact O-CE1 3.46Å; S17-Y19 PolarHBondContact O-N 3.43Å
18	G	92.3	Very high	95.3	Very high	91 Å²	91	51.6 Å²	51.6	94%	0.938	31%	0.308	S	S	*	.	S	Bend	trans	81.8	3.6	176.3	0	0	0	0	0	116
19	Y	89.4	Confident	95.4	Very high	72 Å²	72	51 Å²	51	28%	0.282	30%	0.301	S	S	.	.	S	Bend	trans	-154.4	167.6	176.4	60	-90.1	0	0	0	111.9	A16 S17 F21 Y24 S90	A16-Y19 HydrophobicContact CB-CE1 4.25Å; A16-Y19 HydrophobicContact CB-CE2 4.06Å; A16-Y19 WeakPolarHBondContact CB-OH 3.44Å; S17-Y19 WeakPolarHBondContact O-CD1 3.43Å; S17-Y19 WeakPolarHBondContact O-CE1 3.46Å; S17-Y19 PolarHBondContact O-N 3.43Å; Y19-F21 PolarHBondContact O-N 2.83Å; Y19-F21 VanDerWaalsContact O-N 3.11Å; Y19-Y24 AromaticContact CD2-CD2 3.37Å; Y19-Y24 HydrophobicContact CD2-CD2 3.37Å; Y19-Y24 AromaticContact CD2-CE2 3.6Å; Y19-Y24 HydrophobicContact CD2-CE2 3.6Å; Y19-Y24 AromaticContact CD2-CG 3.91Å; Y19-Y24 HydrophobicContact CD2-CG 3.91Å; Y19-Y24 AromaticContact CE2-CD2 3.81Å; Y19-Y24 HydrophobicContact CE2-CD2 3.81Å; Y19-Y24 HydrophobicContact CE2-CE2 4.42Å; Y19-Y24 AromaticContact CE2-CG 3.9Å; Y19-Y24 HydrophobicContact CE2-CG 3.9Å; Y19-Y24 HydrophobicContact CG-CD2 4.28Å; Y19-Y24 HydrophobicContact CG-CE2 4.08Å; Y19-S90 VanDerWaalsContact OH-CB 3.25Å; Y19-S90 WeakPolarHBondContact OH-CB 3.41Å
20	S	92.9	Very high	95.5	Very high	77 Å²	77	48.3 Å²	48.3	54%	0.538	28%	0.281	S	S	.	.			trans	-69.6	103.7	173.7	-177.8	0	0	0	0	110.4	T22 G23 Y24	S20-T22 PolarHBondContact O-N 2.86Å; S20-T22 VanDerWaalsContact O-N 3.13Å; S20-T22 PolarHBondContact OG-OG1 3.45Å; S20-G23 PolarHBondContact O-N 2.72Å; S20-Y24 WeakPolarHBondContact O-CD2 3.14Å
21	F	94.1	Very high	95.5	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.035	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-54.4	-34.5	-175.2	178	-125.3	0	0	0	113.6	A16 Y19 G23 M26 P45 V64 A71	A16-F21 HydrophobicContact CB-CB 4.35Å; A16-F21 HydrophobicContact CB-CD2 3.41Å; A16-F21 VanDerWaalsContact CB-CD2 3.41Å; A16-F21 HydrophobicContact CB-CE2 4.02Å; A16-F21 HydrophobicContact CB-CG 4.18Å; Y19-F21 PolarHBondContact O-N 2.83Å; Y19-F21 VanDerWaalsContact O-N 3.11Å; F21-G23 VanDerWaalsContact C-N 3.3Å; F21-G23 PolarHBondContact O-N 2.67Å; F21-M26 HydrophobicContact CE2-CE 3.97Å; F21-P45 HydrophobicContact CD1-CB 3.81Å; F21-P45 HydrophobicContact CD1-CG 4.41Å; F21-P45 HydrophobicContact CD2-CB 4.45Å; F21-P45 HydrophobicContact CD2-CG 4.2Å; F21-P45 HydrophobicContact CE1-CB 3.54Å; F21-P45 HydrophobicContact CE1-CG 4.04Å; F21-P45 HydrophobicContact CE2-CB 4.21Å; F21-P45 HydrophobicContact CE2-CG 3.8Å; F21-P45 HydrophobicContact CG-CB 4.28Å; F21-P45 HydrophobicContact CZ-CB 3.76Å; F21-P45 HydrophobicContact CZ-CG 3.71Å; F21-P45 WeakPolarHBondContact O-CG 3.4Å; F21-V64 HydrophobicContact CE1-CB 4.4Å; F21-V64 HydrophobicContact CE1-CG1 4.46Å; F21-V64 HydrophobicContact CZ-CG1 4.16Å; F21-A71 HydrophobicContact CE2-CB 4.44Å; F21-A71 HydrophobicContact CZ-CB 4.12Å
22	T	94.8	Very high	95.4	Very high	51 Å²	51	45.8 Å²	45.8	31%	0.313	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-75.3	-14.9	-179.6	52.2	0	0	0	0	114	S20 Y24 Y46	S20-T22 PolarHBondContact O-N 2.86Å; S20-T22 VanDerWaalsContact O-N 3.13Å; S20-T22 PolarHBondContact OG-OG1 3.45Å; T22-Y24 VanDerWaalsContact C-N 3.33Å; T22-Y46 WeakPolarHBondContact O-CB 2.98Å
23	G	93.3	Very high	95.1	Very high	13 Å²	13	53.1 Å²	53.1	13%	0.134	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-87.8	7	177.6	0	0	0	0	0	114.9	S20 F21 S93	S20-G23 PolarHBondContact O-N 2.72Å; F21-G23 VanDerWaalsContact C-N 3.3Å; F21-G23 PolarHBondContact O-N 2.67Å; G23-S93 PolarHBondContact O-N 2.89Å; G23-S93 VanDerWaalsContact O-N 3.11Å; G23-S93 PolarHBondContact O-OG 3.04Å
24	Y	94.2	Very high	94.7	Very high	65 Å²	65	53.7 Å²	53.7	26%	0.255	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	136.8	-174	-69.8	-105.3	0	0	0	110.7	Y19 S20 T22 P45 Y91 Y92	Y19-Y24 AromaticContact CD2-CD2 3.37Å; Y19-Y24 HydrophobicContact CD2-CD2 3.37Å; Y19-Y24 AromaticContact CD2-CE2 3.6Å; Y19-Y24 HydrophobicContact CD2-CE2 3.6Å; Y19-Y24 AromaticContact CD2-CG 3.91Å; Y19-Y24 HydrophobicContact CD2-CG 3.91Å; Y19-Y24 AromaticContact CE2-CD2 3.81Å; Y19-Y24 HydrophobicContact CE2-CD2 3.81Å; Y19-Y24 HydrophobicContact CE2-CE2 4.42Å; Y19-Y24 AromaticContact CE2-CG 3.9Å; Y19-Y24 HydrophobicContact CE2-CG 3.9Å; Y19-Y24 HydrophobicContact CG-CD2 4.28Å; Y19-Y24 HydrophobicContact CG-CE2 4.08Å; S20-Y24 WeakPolarHBondContact O-CD2 3.14Å; T22-Y24 VanDerWaalsContact C-N 3.33Å; Y24-P45 WeakPolarHBondContact O-CD 2.99Å; Y24-P45 VanDerWaalsContact O-CG 3.3Å; Y24-P45 WeakPolarHBondContact O-CG 3.24Å; Y24-Y91 CarbonylContact C-O 3.6Å; Y24-Y91 VanDerWaalsContact CA-O 3.26Å; Y24-Y91 WeakPolarHBondContact CA-O 3.26Å; Y24-Y91 VanDerWaalsContact CD1-C 3.49Å; Y24-Y92 HydrophobicContact CD1-CD2 4.18Å; Y24-Y92 HydrophobicContact CD2-CD2 4.27Å; Y24-Y92 AromaticContact CE1-CD2 3.65Å; Y24-Y92 HydrophobicContact CE1-CD2 3.65Å; Y24-Y92 HydrophobicContact CE1-CG 4.24Å; Y24-Y92 AromaticContact CE2-CD2 3.76Å; Y24-Y92 HydrophobicContact CE2-CD2 3.76Å; Y24-Y92 HydrophobicContact CE2-CE2 4.14Å; Y24-Y92 HydrophobicContact CG-CD2 4.46Å; Y24-Y92 AromaticContact CZ-CD2 3.42Å; Y24-Y92 VanDerWaalsContact CZ-CD2 3.42Å
25	F	95.7	Very high	94.3	Very high	14 Å²	14	59.4 Å²	59.4	6%	0.061	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	141.1	164.3	-62.8	-75.1	0	0	0	110	N44 S90 Y91 S93 F96	F25-N44 HydrophobicContact CD1-CB 3.7Å; F25-N44 HydrophobicContact CE1-CB 3.56Å; F25-S90 WeakPolarHBondContact O-CA 3.33Å; F25-Y91 HydrophobicContact CD2-CD1 4.46Å; F25-Y91 PolarHBondContact N-O 2.62Å; F25-Y91 PolarHBondContact O-N 2.96Å; F25-S93 VanDerWaalsContact CE2-CA 3.41Å; F25-S93 VanDerWaalsContact CE2-CB 3.49Å; F25-F96 HydrophobicContact CD2-CE2 4.11Å; F25-F96 AromaticContact CE2-CD2 3.83Å; F25-F96 HydrophobicContact CE2-CD2 3.83Å; F25-F96 AromaticContact CE2-CE2 3.64Å; F25-F96 HydrophobicContact CE2-CE2 3.64Å; F25-F96 HydrophobicContact CZ-CD2 4.43Å; F25-F96 HydrophobicContact CZ-CE2 4.36Å
26	M	97.3	Very high	94	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.015	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	113.9	166.1	-172.4	62.4	67.5	0	0	109.4	F21 R42 I43 A71 C88	F21-M26 HydrophobicContact CE2-CE 3.97Å; M26-R42 CarbonylContact O-C 3.55Å; M26-R42 WeakPolarHBondContact O-CA 3.44Å; M26-I43 HydrophobicContact CB-CG2 3.97Å; M26-I43 PolarHBondContact N-O 3.5Å; M26-I43 PolarHBondContact O-N 3.12Å; M26-A71 HydrophobicContact CB-CB 3.99Å; M26-A71 HydrophobicContact CE-CB 4.38Å; M26-A71 HydrophobicContact CG-CB 3.59Å; M26-C88 HydrophobicContact CG-CB 4.46Å; M26-C88 HydrophobicContact SD-CB 3.72Å
27	K	97.1	Very high	94	Very high	56 Å²	56	61 Å²	61	24%	0.243	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	142.8	175.7	-64.7	-177.7	-179.9	174.5	0	110.1	G41 R42 C88 A89	K27-G41 WeakPolarHBondContact CA-O 3.05Å; K27-R42 HydrophobicContact CG-CB 4.03Å; K27-C88 CarbonylContact O-C 3.51Å; K27-C88 VanDerWaalsContact O-CA 3.27Å; K27-C88 WeakPolarHBondContact O-CA 3.25Å; K27-A89 PolarHBondContact N-O 3.47Å; K27-A89 PolarHBondContact O-N 3.49Å
28	W	98.1	Very high	94.1	Very high	3 Å²	3	58 Å²	58	1%	0.011	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.9	176	-67.5	90.8	0	0	0	110.7	I12 C14 I40 G41 L62 A71 M73 Y87 C88	I12-W28 HydrophobicContact CB-CH2 4.44Å; I12-W28 HydrophobicContact CB-CZ3 4.21Å; I12-W28 HydrophobicContact CG2-CH2 4.04Å; I12-W28 HydrophobicContact CG2-CZ3 3.65Å; C14-W28 HydrophobicContact CB-CH2 3.63Å; C14-W28 HydrophobicContact CB-CZ2 3.95Å; C14-W28 HydrophobicContact CB-CZ3 4.41Å; W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.29Å; W28-I40 WeakPolarHBondContact O-CB 3.27Å; W28-I40 PolarHBondContact O-N 3.5Å; W28-G41 PolarHBondContact N-O 3.14Å; W28-L62 HydrophobicContact CG-CD2 4.07Å; W28-A71 HydrophobicContact CZ2-CB 4.13Å; W28-M73 HydrophobicContact CB-SD 3.86Å; W28-M73 HydrophobicContact CD2-CB 3.75Å; W28-M73 HydrophobicContact CD2-CE 4.33Å; W28-M73 HydrophobicContact CD2-CG 4.5Å; W28-M73 HydrophobicContact CD2-SD 4.04Å; W28-M73 HydrophobicContact CE3-CB 3.91Å; W28-M73 HydrophobicContact CE3-CE 3.75Å; W28-M73 HydrophobicContact CE3-SD 4.09Å; W28-M73 HydrophobicContact CG-CB 4.32Å; W28-M73 HydrophobicContact CG-SD 3.98Å; W28-M73 HydrophobicContact CH2-CB 4.05Å; W28-M73 HydrophobicContact CZ2-CB 3.91Å; W28-M73 HydrophobicContact CZ3-CB 4.06Å; W28-M73 HydrophobicContact CZ3-CE 4.29Å; W28-Y87 WeakPolarHBondContact CA-O 3.49Å; W28-C88 HydrophobicContact CD2-CB 4.37Å; W28-C88 HydrophobicContact CE3-CB 4.08Å; W28-C88 HydrophobicContact CH2-CB 4.25Å; W28-C88 HydrophobicContact CZ2-CB 4.5Å; W28-C88 HydrophobicContact CZ3-CB 4.02Å
29	V	97.7	Very high	94.3	Very high	24 Å²	24	57.3 Å²	57.3	15%	0.145	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	139.3	-174.1	-175.1	0	0	0	0	109.7	L37 E38 Y86 Y87	V29-L37 HydrophobicContact CG1-CB 3.72Å; V29-L37 HydrophobicContact CG1-CD2 3.85Å; V29-L37 HydrophobicContact CG1-CG 4.24Å; V29-E38 CarbonylContact C-O 3.6Å; V29-E38 WeakPolarHBondContact CA-O 3.44Å; V29-E38 WeakPolarHBondContact CG1-O 3.28Å; V29-Y86 WeakPolarHBondContact O-CA 3.38Å; V29-Y87 PolarHBondContact N-O 3.5Å; V29-Y87 PolarHBondContact O-N 2.8Å
30	K	97	Very high	94.7	Very high	7 Å²	7	53.9 Å²	53.9	3%	0.03	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	135.8	173.8	-177	-180	178	-177	0	109.8	S32 E38 I40 F56 E81 D82 A84 Y86	K30-S32 WeakPolarHBondContact CE-OG 3.47Å; K30-E38 HydrophobicContact CB-CB 4.42Å; K30-E38 PolarHBondContact N-O 2.93Å; K30-E38 PolarHBondContact O-N 2.69Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.2Å; K30-F56 HydrophobicContact CB-CZ 4.43Å; K30-F56 HydrophobicContact CD-CE1 3.95Å; K30-F56 HydrophobicContact CD-CZ 4.03Å; K30-E81 WeakPolarHBondContact CE-O 3.39Å; K30-E81 PolarHBondContact NZ-O 3.19Å; K30-D82 IonicContact NZ-OD1 2.67Å; K30-A84 HydrophobicContact CD-CB 4.14Å; K30-A84 HydrophobicContact CG-CB 3.5Å; K30-A84 VanDerWaalsContact CG-CB 3.5Å; K30-Y86 HydrophobicContact CB-CD1 4.13Å; K30-Y86 HydrophobicContact CB-CE1 3.88Å; K30-Y86 HydrophobicContact CD-CE1 4.03Å; K30-Y86 HydrophobicContact CG-CD1 4.3Å; K30-Y86 HydrophobicContact CG-CE1 3.75Å
31	Q	96.6	Very high	94.9	Very high	72 Å²	72	50.2 Å²	50.2	34%	0.336	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	102.1	169.4	-165.5	-179.9	28.9	0	0	109.9	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.67Å; Q31-L37 HydrophobicContact CG-CD2 3.8Å; Q31-A84 WeakPolarHBondContact O-CA 3.44Å; Q31-A84 VanDerWaalsContact O-CB 3.32Å; Q31-A84 WeakPolarHBondContact O-CB 3.48Å; Q31-V85 PolarHBondContact N-O 3.03Å; Q31-V85 PolarHBondContact O-N 3.22Å; Q31-Y87 HydrophobicContact CB-CD2 4.33Å; Q31-Y87 HydrophobicContact CB-CE2 3.75Å; Q31-Y87 PolarHBondContact OE1-OH 3.36Å; Q31-Y87 VanDerWaalsContact OE1-OH 3.13Å
32	S	94.4	Very high	95.1	Very high	13 Å²	13	52 Å²	52	9%	0.091	28%	0.278	C	S	.	.			trans	-79.6	152.8	171.7	-72.6	0	0	0	0	110.9	K30 G34 K35	K30-S32 WeakPolarHBondContact CE-OG 3.47Å; S32-G34 PolarHBondContact O-N 2.92Å; S32-K35 PolarHBondContact O-N 2.84Å
33	H	91	Very high	95.2	Very high	192 Å²	192	49.7 Å²	49.7	89%	0.889	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	124.5	-180	-166.8	-104.1	0	0	0	111.3	K35	H33-K35 PolarHBondContact O-N 3.45Å
34	G	88.1	Confident	95.3	Very high	85 Å²	85	49.9 Å²	49.9	88%	0.876	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	10.9	-178.8	0	0	0	0	0	115.7	S32	S32-G34 PolarHBondContact O-N 2.92Å
35	K	88.8	Confident	95.4	Very high	133 Å²	133	46.8 Å²	46.8	58%	0.578	25%	0.25	S	C	*	.	S	Bend	trans	-115.9	159.3	179	-62.5	-170.4	-178.6	179.1	0	112.1	S32 H33	S32-K35 PolarHBondContact O-N 2.84Å; H33-K35 PolarHBondContact O-N 3.45Å
36	S	90.9	Very high	95.4	Very high	96 Å²	96	53.7 Å²	53.7	67%	0.671	28%	0.276	S	S	*	.			trans	-64.8	164.2	171.5	58.3	0	0	0	0	111.8	E38	S36-E38 PolarHBondContact O-N 3.45Å
37	L	95	Very high	95.3	Very high	107 Å²	107	58.2 Å²	58.2	56%	0.56	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	127.7	172.2	-67.5	176.1	0	0	0	110.8	V29 Q31 Y87	V29-L37 HydrophobicContact CG1-CB 3.72Å; V29-L37 HydrophobicContact CG1-CD2 3.85Å; V29-L37 HydrophobicContact CG1-CG 4.24Å; Q31-L37 HydrophobicContact CB-CD2 3.67Å; Q31-L37 HydrophobicContact CG-CD2 3.8Å; L37-Y87 HydrophobicContact CD2-CD2 4.44Å
38	E	96.3	Very high	95.2	Very high	36 Å²	36	57 Å²	57	17%	0.168	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	116.1	176	-64.2	-172.6	63.1	0	0	109.7	V29 K30 S36 I40 K55 F56	V29-E38 CarbonylContact C-O 3.6Å; V29-E38 WeakPolarHBondContact CA-O 3.44Å; V29-E38 WeakPolarHBondContact CG1-O 3.28Å; K30-E38 HydrophobicContact CB-CB 4.42Å; K30-E38 PolarHBondContact N-O 2.93Å; K30-E38 PolarHBondContact O-N 2.69Å; S36-E38 PolarHBondContact O-N 3.45Å; E38-I40 PolarHBondContact O-N 3.1Å; E38-K55 IonicContact OE1-NZ 3.51Å; E38-K55 PolarHBondContact OE1-NZ 2.9Å; E38-K55 IonicContact OE2-NZ 3.61Å; E38-F56 HydrophobicContact CB-CE2 4.36Å; E38-F56 HydrophobicContact CB-CZ 4.33Å
39	W	96.8	Very high	95.1	Very high	76 Å²	76	60.9 Å²	60.9	29%	0.288	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	126.7	176	179.3	75.4	0	0	0	110.6	G41 R42 F51 N53	W39-G41 PolarHBondContact NE1-O 2.02Å; W39-R42 HydrophobicContact CZ2-CB 4.21Å; W39-R42 HydrophobicContact CZ2-CG 4.24Å; W39-F51 AromaticContact CH2-CD1 3.35Å; W39-F51 HydrophobicContact CH2-CD1 3.35Å; W39-F51 AromaticContact CH2-CE1 3.92Å; W39-F51 HydrophobicContact CH2-CE1 3.92Å; W39-F51 HydrophobicContact CH2-CG 4.3Å; W39-F51 WeakPolarHBondContact CH2-O 2.98Å; W39-F51 HydrophobicContact CZ2-CD1 4.18Å; W39-F51 HydrophobicContact CZ3-CD1 4.06Å; W39-F51 HydrophobicContact CZ3-CE1 4.17Å; W39-N53 HydrophobicContact CE3-CB 3.73Å; W39-N53 HydrophobicContact CZ3-CB 3.71Å; W39-N53 VanDerWaalsContact CZ3-N 3.28Å; W39-N53 VanDerWaalsContact O-CB 3.24Å; W39-N53 WeakPolarHBondContact O-CB 3.43Å; W39-N53 PolarHBondContact O-ND2 2.89Å
40	I	97.9	Very high	95.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-49.7	-177.4	-60.6	173.9	0	0	0	110.4	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.29Å; W28-I40 WeakPolarHBondContact O-CB 3.27Å; W28-I40 PolarHBondContact O-N 3.5Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.2Å; E38-I40 PolarHBondContact O-N 3.1Å; I40-N53 WeakPolarHBondContact O-CB 3.44Å; I40-N53 PolarHBondContact O-N 3.17Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.24Å; I40-F56 HydrophobicContact CG1-CD1 4.18Å; I40-F56 HydrophobicContact CG1-CD2 4.22Å; I40-F56 HydrophobicContact CG1-CE1 4.12Å; I40-F56 HydrophobicContact CG1-CE2 4.15Å; I40-F56 HydrophobicContact CG1-CG 4.22Å; I40-F56 HydrophobicContact CG1-CZ 4.1Å; I40-F56 HydrophobicContact CG2-CB 3.75Å; I40-F56 HydrophobicContact CG2-CD1 4.16Å; I40-F56 HydrophobicContact CG2-CD2 4.33Å; I40-F56 HydrophobicContact CG2-CG 3.83Å; I40-A60 HydrophobicContact CG2-CB 3.83Å; I40-M73 HydrophobicContact CD1-CE 3.81Å; I40-M73 HydrophobicContact CD1-SD 3.59Å; I40-M73 VanDerWaalsContact CD1-SD 3.59Å; I40-M73 HydrophobicContact CG2-SD 3.95Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.81Å
41	G	97.6	Very high	95.1	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.7	174.8	-168.3	0	0	0	0	0	112.6	K27 W28 W39 F51	K27-G41 WeakPolarHBondContact CA-O 3.05Å; W28-G41 PolarHBondContact N-O 3.14Å; W39-G41 PolarHBondContact NE1-O 2.02Å; G41-F51 CarbonylContact C-O 3.45Å; G41-F51 WeakPolarHBondContact CA-O 3.21Å
42	R	97.5	Very high	95.1	Very high	45 Å²	45	66.4 Å²	66.4	17%	0.17	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	153.4	169.1	70.4	174.2	-174.5	153.7	-2.7	110.4	M26 K27 W39 T50 F51	M26-R42 CarbonylContact O-C 3.55Å; M26-R42 WeakPolarHBondContact O-CA 3.44Å; K27-R42 HydrophobicContact CG-CB 4.03Å; W39-R42 HydrophobicContact CZ2-CB 4.21Å; W39-R42 HydrophobicContact CZ2-CG 4.24Å; R42-T50 WeakPolarHBondContact O-CA 3.5Å; R42-F51 HydrophobicContact CG-CB 4.01Å; R42-F51 PolarHBondContact N-O 2.88Å; R42-F51 PolarHBondContact O-N 2.84Å
43	I	97.6	Very high	95.2	Very high	4 Å²	4	68.4 Å²	68.4	2%	0.021	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139	167.2	-174.2	157	0	0	0	109.4	M26 P45 D49 T50 L62 V64	M26-I43 HydrophobicContact CB-CG2 3.97Å; M26-I43 PolarHBondContact N-O 3.5Å; M26-I43 PolarHBondContact O-N 3.12Å; I43-P45 WeakPolarHBondContact O-CD 3.49Å; I43-D49 CarbonylContact C-O 3.52Å; I43-D49 WeakPolarHBondContact CA-O 3.47Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.64Å; I43-T50 HydrophobicContact CG1-CG2 3.72Å; I43-L62 HydrophobicContact CB-CB 4.06Å; I43-L62 HydrophobicContact CB-CD1 4.36Å; I43-L62 HydrophobicContact CD1-CB 4.15Å; I43-L62 HydrophobicContact CG2-CB 4.37Å; I43-V64 HydrophobicContact CB-CG1 4.49Å; I43-V64 HydrophobicContact CD1-CG1 3.78Å; I43-V64 HydrophobicContact CD1-CG2 4.31Å; I43-V64 HydrophobicContact CG1-CG1 3.89Å; I43-V64 HydrophobicContact CG2-CG1 3.78Å
44	N	96.6	Very high	95.5	Very high	17 Å²	17	66 Å²	66	9%	0.091	35%	0.348	C	S	.	.			trans	-88.6	110.6	169.8	-172	-14.8	0	0	0	109.4	F25 Y46 N47 G48 D49	F25-N44 HydrophobicContact CD1-CB 3.7Å; F25-N44 HydrophobicContact CE1-CB 3.56Å; N44-Y46 PolarHBondContact O-N 2.8Å; N44-Y46 VanDerWaalsContact OD1-CB 3.26Å; N44-Y46 WeakPolarHBondContact OD1-CB 3.38Å; N44-Y46 PolarHBondContact OD1-N 2.97Å; N44-N47 VanDerWaalsContact CB-OD1 3.25Å; N44-N47 WeakPolarHBondContact CB-OD1 3.17Å; N44-N47 VanDerWaalsContact CG-OD1 3.31Å; N44-N47 PolarHBondContact ND2-OD1 3.28Å; N44-G48 WeakPolarHBondContact O-CA 3.5Å; N44-G48 PolarHBondContact O-N 2.92Å; N44-D49 HydrophobicContact CB-CB 4.25Å; N44-D49 PolarHBondContact N-O 2.92Å
45	P	96.4	Very high	95.7	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.4	178.9	-18	33.2	0	0	0	113.9	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.81Å; F21-P45 HydrophobicContact CD1-CG 4.41Å; F21-P45 HydrophobicContact CD2-CB 4.45Å; F21-P45 HydrophobicContact CD2-CG 4.2Å; F21-P45 HydrophobicContact CE1-CB 3.54Å; F21-P45 HydrophobicContact CE1-CG 4.04Å; F21-P45 HydrophobicContact CE2-CB 4.21Å; F21-P45 HydrophobicContact CE2-CG 3.8Å; F21-P45 HydrophobicContact CG-CB 4.28Å; F21-P45 HydrophobicContact CZ-CB 3.76Å; F21-P45 HydrophobicContact CZ-CG 3.71Å; F21-P45 WeakPolarHBondContact O-CG 3.4Å; Y24-P45 WeakPolarHBondContact O-CD 2.99Å; Y24-P45 VanDerWaalsContact O-CG 3.3Å; Y24-P45 WeakPolarHBondContact O-CG 3.24Å; I43-P45 WeakPolarHBondContact O-CD 3.49Å; P45-V64 HydrophobicContact CB-CG1 4.11Å; P45-V64 HydrophobicContact CG-CG1 4.23Å; P45-K66 WeakPolarHBondContact O-CE 3.37Å
46	Y	94.9	Very high	96.1	Very high	158 Å²	158	61.6 Å²	61.6	62%	0.62	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-53.3	176	-179.2	-110	0	0	0	112.4	T22 N44 K66	T22-Y46 WeakPolarHBondContact O-CB 2.98Å; N44-Y46 PolarHBondContact O-N 2.8Å; N44-Y46 VanDerWaalsContact OD1-CB 3.26Å; N44-Y46 WeakPolarHBondContact OD1-CB 3.38Å; N44-Y46 PolarHBondContact OD1-N 2.97Å; Y46-K66 PolarHBondContact O-NZ 2.88Å
47	N	94.9	Very high	96.2	Very high	98 Å²	98	63.6 Å²	63.6	52%	0.524	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-3.4	-173.2	63.8	3.4	0	0	0	114.1	N44 D49	N44-N47 VanDerWaalsContact CB-OD1 3.25Å; N44-N47 WeakPolarHBondContact CB-OD1 3.17Å; N44-N47 VanDerWaalsContact CG-OD1 3.31Å; N44-N47 PolarHBondContact ND2-OD1 3.28Å; N47-D49 VanDerWaalsContact C-N 3.28Å; N47-D49 PolarHBondContact O-N 2.93Å; N47-D49 VanDerWaalsContact OD1-CB 3.23Å; N47-D49 WeakPolarHBondContact OD1-CB 3.18Å; N47-D49 PolarHBondContact OD1-N 3.3Å
48	G	95.3	Very high	96.1	Very high	31 Å²	31	61.9 Å²	61.9	32%	0.32	31%	0.31	S	S	.	.			trans	78.7	6.2	-178.1	0	0	0	0	0	114.4	N44	N44-G48 WeakPolarHBondContact O-CA 3.5Å; N44-G48 PolarHBondContact O-N 2.92Å
49	D	96.1	Very high	96.1	Very high	84 Å²	84	62.2 Å²	62.2	45%	0.449	31%	0.311	S	S	.	.			trans	-61.7	138.4	179.7	-178	36.5	0	0	0	111.3	I43 N44 N47	I43-D49 CarbonylContact C-O 3.52Å; I43-D49 WeakPolarHBondContact CA-O 3.47Å; N44-D49 HydrophobicContact CB-CB 4.25Å; N44-D49 PolarHBondContact N-O 2.92Å; N47-D49 VanDerWaalsContact C-N 3.28Å; N47-D49 PolarHBondContact O-N 2.93Å; N47-D49 VanDerWaalsContact OD1-CB 3.23Å; N47-D49 WeakPolarHBondContact OD1-CB 3.18Å; N47-D49 PolarHBondContact OD1-N 3.3Å
50	T	97.1	Very high	96.1	Very high	50 Å²	50	58.7 Å²	58.7	31%	0.307	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.4	-175.3	53.6	0	0	0	0	111.4	R42 I43 Y52 L62	R42-T50 WeakPolarHBondContact O-CA 3.5Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.64Å; I43-T50 HydrophobicContact CG1-CG2 3.72Å; T50-Y52 HydrophobicContact CG2-CE2 4.42Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.42Å; T50-L62 HydrophobicContact CG2-CB 4.12Å
51	F	96.8	Very high	96.2	Very high	122 Å²	122	60.8 Å²	60.8	54%	0.535	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.7	170.6	-167.9	-108.9	0	0	0	109	W39 G41 R42	W39-F51 AromaticContact CH2-CD1 3.35Å; W39-F51 HydrophobicContact CH2-CD1 3.35Å; W39-F51 AromaticContact CH2-CE1 3.92Å; W39-F51 HydrophobicContact CH2-CE1 3.92Å; W39-F51 HydrophobicContact CH2-CG 4.3Å; W39-F51 WeakPolarHBondContact CH2-O 2.98Å; W39-F51 HydrophobicContact CZ2-CD1 4.18Å; W39-F51 HydrophobicContact CZ3-CD1 4.06Å; W39-F51 HydrophobicContact CZ3-CE1 4.17Å; G41-F51 CarbonylContact C-O 3.45Å; G41-F51 WeakPolarHBondContact CA-O 3.21Å; R42-F51 HydrophobicContact CG-CB 4.01Å; R42-F51 PolarHBondContact N-O 2.88Å; R42-F51 PolarHBondContact O-N 2.84Å
52	Y	97.6	Very high	96.2	Very high	47 Å²	47	61.2 Å²	61.2	18%	0.184	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146.3	-175.1	-66	-90	0	0	0	110.7	T50 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.42Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.42Å; Y52-A60 HydrophobicContact CE1-CB 4.39Å; Y52-A60 WeakPolarHBondContact CE1-O 3Å; Y52-L62 HydrophobicContact CE1-CD1 4.08Å; Y52-L62 HydrophobicContact CE1-CG 3.71Å; Y52-L62 PolarHBondContact OH-N 2.79Å
53	N	96.8	Very high	96.2	Very high	55 Å²	55	62 Å²	62	29%	0.294	32%	0.323	S	S	.	.			trans	-69.6	137.1	158.6	-177.7	-27.1	0	0	0	108.8	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.73Å; W39-N53 HydrophobicContact CZ3-CB 3.71Å; W39-N53 VanDerWaalsContact CZ3-N 3.28Å; W39-N53 VanDerWaalsContact O-CB 3.24Å; W39-N53 WeakPolarHBondContact O-CB 3.43Å; W39-N53 PolarHBondContact O-ND2 2.89Å; I40-N53 WeakPolarHBondContact O-CB 3.44Å; I40-N53 PolarHBondContact O-N 3.17Å; N53-K55 PolarHBondContact O-N 2.7Å; N53-K55 VanDerWaalsContact O-N 3.14Å; N53-K55 PolarHBondContact OD1-N 3.18Å; N53-K55 VanDerWaalsContact OD1-N 3.1Å; N53-F56 HydrophobicContact CB-CD2 4.06Å; N53-F56 PolarHBondContact O-N 3.28Å; N53-K57 PolarHBondContact O-N 3.22Å; N53-K57 VanDerWaalsContact O-N 3.11Å
54	Q	95.8	Very high	96.2	Very high	141 Å²	141	63.6 Å²	63.6	66%	0.659	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-54.3	-35.4	-178.3	-63.8	-59.7	-24.3	0	0	112.8	F56 K57	Q54-F56 PolarHBondContact O-N 3.11Å; Q54-K57 WeakPolarHBondContact O-CB 3.31Å; Q54-K57 PolarHBondContact O-N 2.96Å
55	K	93.9	Very high	96.3	Very high	123 Å²	123	65.5 Å²	65.5	54%	0.535	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-60.2	-30.4	177.9	-176.9	176.4	177.8	-177.4	0	113.4	E38 N53	E38-K55 IonicContact OE1-NZ 3.51Å; E38-K55 PolarHBondContact OE1-NZ 2.9Å; E38-K55 IonicContact OE2-NZ 3.61Å; N53-K55 PolarHBondContact O-N 2.7Å; N53-K55 VanDerWaalsContact O-N 3.14Å; N53-K55 PolarHBondContact OD1-N 3.18Å; N53-K55 VanDerWaalsContact OD1-N 3.1Å
56	F	95.5	Very high	96.2	Very high	4 Å²	4	70.8 Å²	70.8	2%	0.018	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-106.6	-2.8	-176	-61.5	-84	0	0	0	112.9	K30 E38 I40 N53 Q54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.43Å; K30-F56 HydrophobicContact CD-CE1 3.95Å; K30-F56 HydrophobicContact CD-CZ 4.03Å; E38-F56 HydrophobicContact CB-CE2 4.36Å; E38-F56 HydrophobicContact CB-CZ 4.33Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.24Å; I40-F56 HydrophobicContact CG1-CD1 4.18Å; I40-F56 HydrophobicContact CG1-CD2 4.22Å; I40-F56 HydrophobicContact CG1-CE1 4.12Å; I40-F56 HydrophobicContact CG1-CE2 4.15Å; I40-F56 HydrophobicContact CG1-CG 4.22Å; I40-F56 HydrophobicContact CG1-CZ 4.1Å; I40-F56 HydrophobicContact CG2-CB 3.75Å; I40-F56 HydrophobicContact CG2-CD1 4.16Å; I40-F56 HydrophobicContact CG2-CD2 4.33Å; I40-F56 HydrophobicContact CG2-CG 3.83Å; N53-F56 HydrophobicContact CB-CD2 4.06Å; N53-F56 PolarHBondContact O-N 3.28Å; Q54-F56 PolarHBondContact O-N 3.11Å; F56-G58 PolarHBondContact O-N 3.3Å; F56-K59 PolarHBondContact O-N 3.02Å; F56-A60 HydrophobicContact CB-CB 4.39Å; F56-A60 PolarHBondContact O-N 2.84Å
57	K	94.2	Very high	96.2	Very high	137 Å²	137	68.6 Å²	68.6	60%	0.596	37%	0.374	S	S	*	.	B	Isolated β-bridge	trans	-62.4	125.1	175.8	-167.1	174.7	-178.9	-179.1	0	109.1	N53 Q54 K59	N53-K57 PolarHBondContact O-N 3.22Å; N53-K57 VanDerWaalsContact O-N 3.11Å; Q54-K57 WeakPolarHBondContact O-CB 3.31Å; Q54-K57 PolarHBondContact O-N 2.96Å; K57-K59 PolarHBondContact O-N 3.48Å
58	G	93.3	Very high	96.3	Very high	72 Å²	72	65.8 Å²	65.8	74%	0.742	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-19.4	-174.8	0	0	0	0	0	114.9	F56	F56-G58 PolarHBondContact O-N 3.3Å
59	K	95.8	Very high	96.4	Very high	42 Å²	42	66.2 Å²	66.2	18%	0.183	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-43.4	173.7	-173	74.1	177.3	-161.9	0	112.1	F56 K57 R76 S77 D82	F56-K59 PolarHBondContact O-N 3.02Å; K57-K59 PolarHBondContact O-N 3.48Å; K59-R76 WeakPolarHBondContact CD-O 3.3Å; K59-R76 WeakPolarHBondContact CE-O 3.33Å; K59-R76 PolarHBondContact NZ-O 2.83Å; K59-R76 PolarHBondContact O-N 3.32Å; K59-S77 PolarHBondContact NZ-O 2.87Å; K59-D82 WeakPolarHBondContact CE-OD2 3.39Å; K59-D82 IonicContact NZ-OD2 2.69Å; K59-D82 PolarHBondContact NZ-OD2 2.77Å
60	A	97.7	Very high	96.5	Very high	3 Å²	3	62.9 Å²	62.9	3%	0.025	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	141.9	-179.3	0	0	0	0	0	111.1	I40 Y52 F56 M73 E74 L75	I40-A60 HydrophobicContact CG2-CB 3.83Å; Y52-A60 HydrophobicContact CE1-CB 4.39Å; Y52-A60 WeakPolarHBondContact CE1-O 3Å; F56-A60 HydrophobicContact CB-CB 4.39Å; F56-A60 PolarHBondContact O-N 2.84Å; A60-M73 HydrophobicContact CB-CG 4.41Å; A60-M73 HydrophobicContact CB-SD 4.48Å; A60-E74 CarbonylContact C-O 3.56Å; A60-E74 WeakPolarHBondContact CA-O 3.26Å; A60-L75 HydrophobicContact CB-CD2 3.83Å
61	T	98.3	Very high	96.5	Very high	44 Å²	44	60.5 Å²	60.5	27%	0.27	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	120.9	169	-61.7	0	0	0	0	108.8	T63 M73 E74	T61-T63 HydrophobicContact CG2-CG2 4.31Å; T61-M73 WeakPolarHBondContact O-CA 3.45Å; T61-E74 PolarHBondContact N-O 3.4Å; T61-E74 PolarHBondContact O-N 3.31Å
62	L	98.4	Very high	96.6	Very high	8 Å²	8	55.8 Å²	55.8	4%	0.042	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	133.1	179.2	-52.2	-176.6	0	0	0	110.2	W28 I43 T50 Y52 H72 M73	W28-L62 HydrophobicContact CG-CD2 4.07Å; I43-L62 HydrophobicContact CB-CB 4.06Å; I43-L62 HydrophobicContact CB-CD1 4.36Å; I43-L62 HydrophobicContact CD1-CB 4.15Å; I43-L62 HydrophobicContact CG2-CB 4.37Å; T50-L62 HydrophobicContact CG2-CB 4.12Å; Y52-L62 HydrophobicContact CE1-CD1 4.08Å; Y52-L62 HydrophobicContact CE1-CG 3.71Å; Y52-L62 PolarHBondContact OH-N 2.79Å; L62-H72 WeakPolarHBondContact CA-O 3.39Å; L62-M73 HydrophobicContact CD2-CB 3.75Å; L62-M73 HydrophobicContact CD2-CG 3.65Å; L62-M73 HydrophobicContact CD2-SD 4.1Å
63	T	98.3	Very high	96.6	Very high	62 Å²	62	53.5 Å²	53.5	38%	0.38	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	163.2	176.2	57.6	0	0	0	0	110.9	T61 H72	T61-T63 HydrophobicContact CG2-CG2 4.31Å; T63-H72 PolarHBondContact N-O 3.02Å; T63-H72 PolarHBondContact O-N 2.81Å; T63-H72 WeakPolarHBondContact OG1-CB 3.31Å
64	V	97.8	Very high	96.7	Very high	37 Å²	37	53.6 Å²	53.6	22%	0.224	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	141.9	176.7	-69	0	0	0	0	110.5	F21 I43 P45 A71	F21-V64 HydrophobicContact CE1-CB 4.4Å; F21-V64 HydrophobicContact CE1-CG1 4.46Å; F21-V64 HydrophobicContact CZ-CG1 4.16Å; I43-V64 HydrophobicContact CB-CG1 4.49Å; I43-V64 HydrophobicContact CD1-CG1 3.78Å; I43-V64 HydrophobicContact CD1-CG2 4.31Å; I43-V64 HydrophobicContact CG1-CG1 3.89Å; I43-V64 HydrophobicContact CG2-CG1 3.78Å; P45-V64 HydrophobicContact CB-CG1 4.11Å; P45-V64 HydrophobicContact CG-CG1 4.23Å; V64-A71 HydrophobicContact CG1-CB 4.28Å
65	D	97	Very high	96.7	Very high	57 Å²	57	46.9 Å²	46.9	31%	0.305	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	105.7	164.2	173.7	10.2	0	0	0	108.1	S67 S68 S69 T70	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.84Å; D65-S67 WeakPolarHBondContact OD1-CB 3.25Å; D65-S67 PolarHBondContact OD1-N 2.93Å; D65-S67 PolarHBondContact OD1-OG 2.88Å; D65-S67 PolarHBondContact OD2-OG 2.91Å; D65-S68 WeakPolarHBondContact OD2-CB 3.45Å; D65-S68 PolarHBondContact OD2-OG 2.98Å; D65-S69 PolarHBondContact O-N 3.11Å; D65-S69 VanDerWaalsContact O-N 3.15Å; D65-T70 PolarHBondContact N-O 2.83Å; D65-T70 PolarHBondContact O-N 2.94Å
66	K	95.1	Very high	96.8	Very high	112 Å²	112	46.2 Å²	46.2	49%	0.487	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-29.9	-178.3	-57.5	-176.2	-167.9	-170.1	0	112	P45 Y46 S68 S69	P45-K66 WeakPolarHBondContact O-CE 3.37Å; Y46-K66 PolarHBondContact O-NZ 2.88Å; K66-S68 VanDerWaalsContact C-N 3.34Å; K66-S68 PolarHBondContact O-N 3.36Å; K66-S69 PolarHBondContact O-N 2.9Å
67	S	95	Very high	96.8	Very high	111 Å²	111	49.8 Å²	49.8	78%	0.776	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-37.9	-176.5	72.9	0	0	0	0	111.7	D65	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.84Å; D65-S67 WeakPolarHBondContact OD1-CB 3.25Å; D65-S67 PolarHBondContact OD1-N 2.93Å; D65-S67 PolarHBondContact OD1-OG 2.88Å; D65-S67 PolarHBondContact OD2-OG 2.91Å
68	S	96.8	Very high	96.9	Very high	39 Å²	39	43.9 Å²	43.9	27%	0.273	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-0.2	178.4	67.2	0	0	0	0	113.7	D65 K66 T70	D65-S68 WeakPolarHBondContact OD2-CB 3.45Å; D65-S68 PolarHBondContact OD2-OG 2.98Å; K66-S68 VanDerWaalsContact C-N 3.34Å; K66-S68 PolarHBondContact O-N 3.36Å; S68-T70 PolarHBondContact O-N 2.78Å; S68-T70 PolarHBondContact O-OG1 3.47Å; S68-T70 WeakPolarHBondContact OG-CB 3.41Å; S68-T70 PolarHBondContact OG-OG1 2.97Å
69	S	97.1	Very high	96.9	Very high	41 Å²	41	43.8 Å²	43.8	29%	0.287	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	42.2	-171.4	-62.4	0	0	0	0	112.8	A16 D65 K66	A16-S69 PolarHBondContact N-O 3.3Å; D65-S69 PolarHBondContact O-N 3.11Å; D65-S69 VanDerWaalsContact O-N 3.15Å; K66-S69 PolarHBondContact O-N 2.9Å
70	T	98.1	Very high	96.7	Very high	13 Å²	13	46.9 Å²	46.9	8%	0.08	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.2	-175.2	-50.4	0	0	0	0	110.7	C14 K15 D65 S68 H72	C14-T70 CarbonylContact O-C 3.56Å; C14-T70 WeakPolarHBondContact O-CA 3.42Å; K15-T70 HydrophobicContact CB-CG2 4.49Å; D65-T70 PolarHBondContact N-O 2.83Å; D65-T70 PolarHBondContact O-N 2.94Å; S68-T70 PolarHBondContact O-N 2.78Å; S68-T70 PolarHBondContact O-OG1 3.47Å; S68-T70 WeakPolarHBondContact OG-CB 3.41Å; S68-T70 PolarHBondContact OG-OG1 2.97Å; T70-H72 WeakPolarHBondContact CG2-CE1 3.22Å
71	A	98.1	Very high	96.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	147.2	165.8	0	0	0	0	0	109.6	C14 F21 M26 W28 V64	C14-A71 PolarHBondContact N-O 2.78Å; C14-A71 PolarHBondContact O-N 3.15Å; F21-A71 HydrophobicContact CE2-CB 4.44Å; F21-A71 HydrophobicContact CZ-CB 4.12Å; M26-A71 HydrophobicContact CB-CB 3.99Å; M26-A71 HydrophobicContact CE-CB 4.38Å; M26-A71 HydrophobicContact CG-CB 3.59Å; W28-A71 HydrophobicContact CZ2-CB 4.13Å; V64-A71 HydrophobicContact CG1-CB 4.28Å
72	H	98.3	Very high	96.1	Very high	23 Å²	23	52.7 Å²	52.7	11%	0.106	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	147.6	175.9	-52.2	-80.1	0	0	0	111.5	K11 I12 S13 L62 T63 T70	K11-H72 VanDerWaalsContact CE-CB 3.45Å; K11-H72 WeakPolarHBondContact CE-ND1 3.14Å; K11-H72 HydrophobicContact CG-CB 4.27Å; I12-H72 CarbonylContact O-C 3.54Å; I12-H72 WeakPolarHBondContact O-CA 3.38Å; S13-H72 WeakPolarHBondContact CB-ND1 3.43Å; S13-H72 PolarHBondContact OG-CE1 2.83Å; S13-H72 PolarHBondContact OG-ND1 3.48Å; L62-H72 WeakPolarHBondContact CA-O 3.39Å; T63-H72 PolarHBondContact N-O 3.02Å; T63-H72 PolarHBondContact O-N 2.81Å; T63-H72 WeakPolarHBondContact OG1-CB 3.31Å; T70-H72 WeakPolarHBondContact CG2-CE1 3.22Å
73	M	98.3	Very high	95.9	Very high	0 Å²	0	57 Å²	57	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	117.8	167.3	177.2	173.6	71.3	0	0	108.6	I12 W28 I40 A60 T61 L62 L75 Y86	I12-M73 HydrophobicContact CD1-CE 3.69Å; I12-M73 PolarHBondContact N-O 2.95Å; I12-M73 PolarHBondContact O-N 2.99Å; W28-M73 HydrophobicContact CB-SD 3.86Å; W28-M73 HydrophobicContact CD2-CB 3.75Å; W28-M73 HydrophobicContact CD2-CE 4.33Å; W28-M73 HydrophobicContact CD2-CG 4.5Å; W28-M73 HydrophobicContact CD2-SD 4.04Å; W28-M73 HydrophobicContact CE3-CB 3.91Å; W28-M73 HydrophobicContact CE3-CE 3.75Å; W28-M73 HydrophobicContact CE3-SD 4.09Å; W28-M73 HydrophobicContact CG-CB 4.32Å; W28-M73 HydrophobicContact CG-SD 3.98Å; W28-M73 HydrophobicContact CH2-CB 4.05Å; W28-M73 HydrophobicContact CZ2-CB 3.91Å; W28-M73 HydrophobicContact CZ3-CB 4.06Å; W28-M73 HydrophobicContact CZ3-CE 4.29Å; I40-M73 HydrophobicContact CD1-CE 3.81Å; I40-M73 HydrophobicContact CD1-SD 3.59Å; I40-M73 VanDerWaalsContact CD1-SD 3.59Å; I40-M73 HydrophobicContact CG2-SD 3.95Å; A60-M73 HydrophobicContact CB-CG 4.41Å; A60-M73 HydrophobicContact CB-SD 4.48Å; T61-M73 WeakPolarHBondContact O-CA 3.45Å; L62-M73 HydrophobicContact CD2-CB 3.75Å; L62-M73 HydrophobicContact CD2-CG 3.65Å; L62-M73 HydrophobicContact CD2-SD 4.1Å; M73-L75 HydrophobicContact CE-CD1 4.05Å; M73-L75 HydrophobicContact CE-CD2 4.4Å; M73-L75 HydrophobicContact CE-CG 4.18Å; M73-L75 HydrophobicContact CG-CD2 4.38Å; M73-L75 HydrophobicContact CG-CG 4.33Å; M73-L75 HydrophobicContact SD-CD2 4.24Å; M73-L75 HydrophobicContact SD-CG 4.5Å; M73-Y86 HydrophobicContact CE-CD1 3.53Å; M73-Y86 HydrophobicContact CE-CE1 4.06Å; M73-Y86 HydrophobicContact CE-CG 4.14Å
74	E	98	Very high	95.8	Very high	56 Å²	56	55.5 Å²	55.5	26%	0.262	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	124	169.3	-165.5	-165.3	155.1	0	0	108.8	V10 A60 T61 R76	V10-E74 CarbonylContact O-C 3.52Å; V10-E74 VanDerWaalsContact O-CA 3.31Å; V10-E74 WeakPolarHBondContact O-CA 3.48Å; A60-E74 CarbonylContact C-O 3.56Å; A60-E74 WeakPolarHBondContact CA-O 3.26Å; T61-E74 PolarHBondContact N-O 3.4Å; T61-E74 PolarHBondContact O-N 3.31Å; E74-R76 HydrophobicContact CG-CG 4.41Å; E74-R76 IonicContact OE1-CZ 3.6Å; E74-R76 IonicContact OE1-NE 2.86Å; E74-R76 PolarHBondContact OE1-NE 3.11Å; E74-R76 IonicContact OE1-NH2 3.48Å; E74-R76 PolarHBondContact OE1-NH2 3.23Å; E74-R76 IonicContact OE2-CZ 3.64Å; E74-R76 IonicContact OE2-NE 3.5Å; E74-R76 IonicContact OE2-NH2 2.88Å; E74-R76 PolarHBondContact OE2-NH2 3.4Å
75	L	97	Very high	95.7	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.5	170.8	-65.6	168.9	0	0	0	108.7	S9 V10 I12 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.42Å; S9-L75 WeakPolarHBondContact CA-O 3.36Å; S9-L75 WeakPolarHBondContact CB-O 2.87Å; V10-L75 HydrophobicContact CG1-CB 4.13Å; V10-L75 HydrophobicContact CG1-CD1 4.41Å; V10-L75 PolarHBondContact N-O 2.97Å; V10-L75 PolarHBondContact O-N 2.89Å; I12-L75 HydrophobicContact CD1-CD1 4.11Å; A60-L75 HydrophobicContact CB-CD2 3.83Å; M73-L75 HydrophobicContact CE-CD1 4.05Å; M73-L75 HydrophobicContact CE-CD2 4.4Å; M73-L75 HydrophobicContact CE-CG 4.18Å; M73-L75 HydrophobicContact CG-CD2 4.38Å; M73-L75 HydrophobicContact CG-CG 4.33Å; M73-L75 HydrophobicContact SD-CD2 4.24Å; M73-L75 HydrophobicContact SD-CG 4.5Å; L75-L78 HydrophobicContact CB-CD2 3.7Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; L75-Y86 HydrophobicContact CD1-CD1 4.28Å; L75-Y86 HydrophobicContact CD1-CE1 3.57Å; L75-Y86 HydrophobicContact CD1-CE2 4.05Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.42Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.5Å
76	R	95.9	Very high	95.7	Very high	108 Å²	108	56.7 Å²	56.7	41%	0.408	33%	0.326	S	S	.	.			trans	-110.4	156.3	-175	-60.8	-175.9	174.5	166.6	7.5	112.5	S9 K59 E74 L78	S9-R76 WeakPolarHBondContact OG-CA 3.49Å; K59-R76 WeakPolarHBondContact CD-O 3.3Å; K59-R76 WeakPolarHBondContact CE-O 3.33Å; K59-R76 PolarHBondContact NZ-O 2.83Å; K59-R76 PolarHBondContact O-N 3.32Å; E74-R76 HydrophobicContact CG-CG 4.41Å; E74-R76 IonicContact OE1-CZ 3.6Å; E74-R76 IonicContact OE1-NE 2.86Å; E74-R76 PolarHBondContact OE1-NE 3.11Å; E74-R76 IonicContact OE1-NH2 3.48Å; E74-R76 PolarHBondContact OE1-NH2 3.23Å; E74-R76 IonicContact OE2-CZ 3.64Å; E74-R76 IonicContact OE2-NE 3.5Å; E74-R76 IonicContact OE2-NH2 2.88Å; E74-R76 PolarHBondContact OE2-NH2 3.4Å; R76-L78 VanDerWaalsContact C-N 3.32Å; R76-L78 PolarHBondContact O-N 3.13Å
77	S	95.1	Very high	95.8	Very high	79 Å²	79	56.3 Å²	56.3	55%	0.552	32%	0.323	S	S	*	.	S	Bend	trans	51.5	48.9	172.5	-51.9	0	0	0	0	112.6	A8 K59	A8-S77 PolarHBondContact O-N 3.13Å; K59-S77 PolarHBondContact NZ-O 2.87Å
78	L	94.9	Very high	95.9	Very high	13 Å²	13	53.5 Å²	53.5	7%	0.068	30%	0.303	C	S	.	.			trans	-60.8	141.1	-169.6	-69.4	169.1	0	0	0	112.9	V4 G7 A8 V10 L75 R76 D82	V4-L78 HydrophobicContact CB-CD1 4.43Å; V4-L78 HydrophobicContact CG2-CD1 3.47Å; V4-L78 VanDerWaalsContact CG2-CD1 3.47Å; G7-L78 PolarHBondContact N-O 3.43Å; A8-L78 WeakPolarHBondContact O-CB 3.33Å; A8-L78 VanDerWaalsContact O-CG 3.28Å; A8-L78 WeakPolarHBondContact O-CG 3.35Å; A8-L78 PolarHBondContact O-N 3.42Å; V10-L78 HydrophobicContact CB-CD1 4.01Å; V10-L78 HydrophobicContact CG1-CD1 3.75Å; L75-L78 HydrophobicContact CB-CD2 3.7Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; R76-L78 VanDerWaalsContact C-N 3.32Å; R76-L78 PolarHBondContact O-N 3.13Å; L78-D82 WeakPolarHBondContact CA-OD2 3.18Å; L78-D82 HydrophobicContact CD2-CB 3.63Å
79	T	94.1	Very high	95.9	Very high	71 Å²	71	54.1 Å²	54.1	44%	0.436	31%	0.31	S	S	.	.			trans	-118.6	173.7	173.7	68.6	0	0	0	0	110.4	E81 D82	T79-E81 PolarHBondContact O-N 2.79Å; T79-E81 PolarHBondContact OG1-N 2.86Å; T79-D82 PolarHBondContact N-OD2 2.98Å; T79-D82 WeakPolarHBondContact O-CB 3.37Å; T79-D82 PolarHBondContact O-N 2.94Å; T79-D82 PolarHBondContact OG1-OD2 3Å
80	S	91.8	Very high	95.7	Very high	107 Å²	107	54.9 Å²	54.9	75%	0.748	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-57.8	-29.7	174.6	51.2	0	0	0	0	112.8	D82 S83	S80-D82 PolarHBondContact O-N 2.81Å; S80-S83 VanDerWaalsContact O-CB 3.32Å; S80-S83 WeakPolarHBondContact O-CB 3.33Å; S80-S83 PolarHBondContact O-N 3.48Å; S80-S83 VanDerWaalsContact O-N 3.15Å
81	E	90.9	Very high	95.3	Very high	149 Å²	149	58.6 Å²	58.6	70%	0.696	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-66.8	-22.3	177.1	-60.5	-174.5	172.9	0	0	113	K30 T79 S83	K30-E81 WeakPolarHBondContact CE-O 3.39Å; K30-E81 PolarHBondContact NZ-O 3.19Å; T79-E81 PolarHBondContact O-N 2.79Å; T79-E81 PolarHBondContact OG1-N 2.86Å; E81-S83 VanDerWaalsContact C-N 3.25Å; E81-S83 PolarHBondContact O-N 2.88Å
82	D	93.4	Very high	94.6	Very high	19 Å²	19	63.6 Å²	63.6	10%	0.102	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-79.7	-6.6	176.7	-62.1	-51	0	0	0	113	K30 K59 L78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 2.67Å; K59-D82 WeakPolarHBondContact CE-OD2 3.39Å; K59-D82 IonicContact NZ-OD2 2.69Å; K59-D82 PolarHBondContact NZ-OD2 2.77Å; L78-D82 WeakPolarHBondContact CA-OD2 3.18Å; L78-D82 HydrophobicContact CD2-CB 3.63Å; T79-D82 PolarHBondContact N-OD2 2.98Å; T79-D82 WeakPolarHBondContact O-CB 3.37Å; T79-D82 PolarHBondContact O-N 2.94Å; T79-D82 PolarHBondContact OG1-OD2 3Å; S80-D82 PolarHBondContact O-N 2.81Å; D82-A84 PolarHBondContact O-N 3.28Å; D82-Y86 WeakPolarHBondContact O-CE2 3.5Å; D82-Y86 PolarHBondContact O-OH 3.01Å
83	S	93.9	Very high	93.3	Very high	100 Å²	100	63.8 Å²	63.8	70%	0.699	35%	0.352	S	S	*	.			trans	-66.4	108.8	172.3	-165.2	0	0	0	0	110.3	S80 E81	S80-S83 VanDerWaalsContact O-CB 3.32Å; S80-S83 WeakPolarHBondContact O-CB 3.33Å; S80-S83 PolarHBondContact O-N 3.48Å; S80-S83 VanDerWaalsContact O-N 3.15Å; E81-S83 VanDerWaalsContact C-N 3.25Å; E81-S83 PolarHBondContact O-N 2.88Å
84	A	95.4	Very high	91.8	Very high	30 Å²	30	71.7 Å²	71.7	25%	0.248	38%	0.383	C	S	.	.	S	Bend	trans	-163.8	169	-173.3	0	0	0	0	0	110.6	K30 Q31 D82 Y86	K30-A84 HydrophobicContact CD-CB 4.14Å; K30-A84 HydrophobicContact CG-CB 3.5Å; K30-A84 VanDerWaalsContact CG-CB 3.5Å; Q31-A84 WeakPolarHBondContact O-CA 3.44Å; Q31-A84 VanDerWaalsContact O-CB 3.32Å; Q31-A84 WeakPolarHBondContact O-CB 3.48Å; D82-A84 PolarHBondContact O-N 3.28Å; A84-Y86 HydrophobicContact CB-CE2 4Å
85	V	96.4	Very high	89.4	Confident	75 Å²	75	73.9 Å²	73.9	46%	0.455	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	135.7	162.8	-171	0	0	0	0	108.4	Q31 Y87	Q31-V85 PolarHBondContact N-O 3.03Å; Q31-V85 PolarHBondContact O-N 3.22Å; V85-Y87 HydrophobicContact CB-CE2 3.86Å; V85-Y87 HydrophobicContact CG1-CD2 4.31Å; V85-Y87 HydrophobicContact CG1-CE1 3.91Å; V85-Y87 HydrophobicContact CG1-CE2 3.58Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.19Å
86	Y	97.3	Very high	87.1	Confident	43 Å²	43	83.3 Å²	83.3	17%	0.169	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.5	179.3	-69.5	-88.2	0	0	0	109.8	I12 V29 K30 I40 M73 L75 D82 A84	I12-Y86 HydrophobicContact CD1-CD1 4.4Å; I12-Y86 HydrophobicContact CD1-CD2 3.96Å; I12-Y86 HydrophobicContact CD1-CG 3.83Å; V29-Y86 WeakPolarHBondContact O-CA 3.38Å; K30-Y86 HydrophobicContact CB-CD1 4.13Å; K30-Y86 HydrophobicContact CB-CE1 3.88Å; K30-Y86 HydrophobicContact CD-CE1 4.03Å; K30-Y86 HydrophobicContact CG-CD1 4.3Å; K30-Y86 HydrophobicContact CG-CE1 3.75Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.81Å; M73-Y86 HydrophobicContact CE-CD1 3.53Å; M73-Y86 HydrophobicContact CE-CE1 4.06Å; M73-Y86 HydrophobicContact CE-CG 4.14Å; L75-Y86 HydrophobicContact CD1-CD1 4.28Å; L75-Y86 HydrophobicContact CD1-CE1 3.57Å; L75-Y86 HydrophobicContact CD1-CE2 4.05Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.42Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.5Å; D82-Y86 WeakPolarHBondContact O-CE2 3.5Å; D82-Y86 PolarHBondContact O-OH 3.01Å; A84-Y86 HydrophobicContact CB-CE2 4Å
87	Y	97.2	Very high	86.7	Confident	105 Å²	105	82.1 Å²	82.1	41%	0.412	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	145.6	-178.3	-60	-83.3	0	0	0	110.4	W28 V29 Q31 L37 V85	W28-Y87 WeakPolarHBondContact CA-O 3.49Å; V29-Y87 PolarHBondContact N-O 3.5Å; V29-Y87 PolarHBondContact O-N 2.8Å; Q31-Y87 HydrophobicContact CB-CD2 4.33Å; Q31-Y87 HydrophobicContact CB-CE2 3.75Å; Q31-Y87 PolarHBondContact OE1-OH 3.36Å; Q31-Y87 VanDerWaalsContact OE1-OH 3.13Å; L37-Y87 HydrophobicContact CD2-CD2 4.44Å; V85-Y87 HydrophobicContact CB-CE2 3.86Å; V85-Y87 HydrophobicContact CG1-CD2 4.31Å; V85-Y87 HydrophobicContact CG1-CE1 3.91Å; V85-Y87 HydrophobicContact CG1-CE2 3.58Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.19Å
88	C	96.8	Very high	86.2	Confident	52 Å²	52	82.3 Å²	82.3	35%	0.351	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	145.7	165	62.4	0	0	0	0	109.5	C14 M26 K27 W28	C14-C88 HydrophobicContact CB-CB 3.51Å; C14-C88 WeakPolarHBondContact CB-SG 3.23Å; C14-C88 WeakPolarHBondContact SG-CB 3.44Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.15Å; M26-C88 HydrophobicContact CG-CB 4.46Å; M26-C88 HydrophobicContact SD-CB 3.72Å; K27-C88 CarbonylContact O-C 3.51Å; K27-C88 VanDerWaalsContact O-CA 3.27Å; K27-C88 WeakPolarHBondContact O-CA 3.25Å; W28-C88 HydrophobicContact CD2-CB 4.37Å; W28-C88 HydrophobicContact CE3-CB 4.08Å; W28-C88 HydrophobicContact CH2-CB 4.25Å; W28-C88 HydrophobicContact CZ2-CB 4.5Å; W28-C88 HydrophobicContact CZ3-CB 4.02Å
89	A	95.4	Very high	85.8	Confident	51 Å²	51	86.1 Å²	86.1	42%	0.421	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	135.3	177.5	0	0	0	0	0	110.5	K27	K27-A89 PolarHBondContact N-O 3.47Å; K27-A89 PolarHBondContact O-N 3.49Å
90	S	93.4	Very high	85.3	Confident	57 Å²	57	87 Å²	87	40%	0.399	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	135.2	173.5	55.6	0	0	0	0	111.1	Y19 F25	Y19-S90 VanDerWaalsContact OH-CB 3.25Å; Y19-S90 WeakPolarHBondContact OH-CB 3.41Å; F25-S90 WeakPolarHBondContact O-CA 3.33Å
91	Y	88.8	Confident	84.9	Confident	91 Å²	91	85.8 Å²	85.8	36%	0.357	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	129.5	176.6	-174.1	-91.7	0	0	0	110.4	Y24 F25 S93 D95 F96	Y24-Y91 CarbonylContact C-O 3.6Å; Y24-Y91 VanDerWaalsContact CA-O 3.26Å; Y24-Y91 WeakPolarHBondContact CA-O 3.26Å; Y24-Y91 VanDerWaalsContact CD1-C 3.49Å; F25-Y91 HydrophobicContact CD2-CD1 4.46Å; F25-Y91 PolarHBondContact N-O 2.62Å; F25-Y91 PolarHBondContact O-N 2.96Å; Y91-S93 PolarHBondContact O-N 3.39Å; Y91-D95 HydrophobicContact CE1-CB 4.39Å; Y91-F96 HydrophobicContact CE1-CE2 4.45Å
92	Y	84	Confident	84.5	Confident	105 Å²	105	81.5 Å²	81.5	41%	0.412	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	135.3	-174.2	-165	-121.5	0	0	0	111.2	Y24 Y94	Y24-Y92 HydrophobicContact CD1-CD2 4.18Å; Y24-Y92 HydrophobicContact CD2-CD2 4.27Å; Y24-Y92 AromaticContact CE1-CD2 3.65Å; Y24-Y92 HydrophobicContact CE1-CD2 3.65Å; Y24-Y92 HydrophobicContact CE1-CG 4.24Å; Y24-Y92 AromaticContact CE2-CD2 3.76Å; Y24-Y92 HydrophobicContact CE2-CD2 3.76Å; Y24-Y92 HydrophobicContact CE2-CE2 4.14Å; Y24-Y92 HydrophobicContact CG-CD2 4.46Å; Y24-Y92 AromaticContact CZ-CD2 3.42Å; Y24-Y92 VanDerWaalsContact CZ-CD2 3.42Å; Y92-Y94 HydrophobicContact CD1-CD2 4.13Å; Y92-Y94 AromaticContact CE1-CD2 3.46Å; Y92-Y94 HydrophobicContact CE1-CD2 3.46Å; Y92-Y94 VanDerWaalsContact CE1-CD2 3.46Å; Y92-Y94 HydrophobicContact CE1-CE2 4.48Å; Y92-Y94 AromaticContact CE1-CG 3.96Å; Y92-Y94 HydrophobicContact CE1-CG 3.96Å; Y92-Y94 HydrophobicContact CE2-CD2 4Å; Y92-Y94 HydrophobicContact CE2-CE2 4.43Å; Y92-Y94 AromaticContact CZ-CD2 3.39Å; Y92-Y94 AromaticContact CZ-CE2 4Å; Y92-Y94 PolarHBondContact O-N 2.63Å; Y92-Y94 WeakPolarHBondContact OH-CD2 3.07Å
93	S	72.1	Confident	83.8	Confident	27 Å²	27	86 Å²	86	19%	0.189	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-8.6	-166.6	63.8	0	0	0	0	115.6	G23 F25 Y91	G23-S93 PolarHBondContact O-N 2.89Å; G23-S93 VanDerWaalsContact O-N 3.11Å; G23-S93 PolarHBondContact O-OG 3.04Å; F25-S93 VanDerWaalsContact CE2-CA 3.41Å; F25-S93 VanDerWaalsContact CE2-CB 3.49Å; Y91-S93 PolarHBondContact O-N 3.39Å
94	Y	65.4	Low	83.1	Confident	167 Å²	167	84.9 Å²	84.9	66%	0.655	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-2.4	-174.2	-68.6	-87.5	0	0	0	114.6	Y92 F96	Y92-Y94 HydrophobicContact CD1-CD2 4.13Å; Y92-Y94 AromaticContact CE1-CD2 3.46Å; Y92-Y94 HydrophobicContact CE1-CD2 3.46Å; Y92-Y94 VanDerWaalsContact CE1-CD2 3.46Å; Y92-Y94 HydrophobicContact CE1-CE2 4.48Å; Y92-Y94 AromaticContact CE1-CG 3.96Å; Y92-Y94 HydrophobicContact CE1-CG 3.96Å; Y92-Y94 HydrophobicContact CE2-CD2 4Å; Y92-Y94 HydrophobicContact CE2-CE2 4.43Å; Y92-Y94 AromaticContact CZ-CD2 3.39Å; Y92-Y94 AromaticContact CZ-CE2 4Å; Y92-Y94 PolarHBondContact O-N 2.63Å; Y92-Y94 WeakPolarHBondContact OH-CD2 3.07Å; Y94-F96 PolarHBondContact O-N 2.68Å
95	D	48.9	Very low	82	Confident	102 Å²	102	89.5 Å²	89.5	55%	0.545	44%	0.436	S	S	.	.			trans	-96.7	66.3	176.2	-66	-36.6	0	0	0	111.7	Y91	Y91-D95 HydrophobicContact CE1-CB 4.39Å
96	F	48.8	Very low	80.7	Confident	199 Å²	199	90.8 Å²	90.8	87%	0.873	44%	0.435	S	S	*	.			trans	-138.8	0	165.5	-82.6	-80.1	0	0	0	111.2	F25 Y91 Y94	F25-F96 HydrophobicContact CD2-CE2 4.11Å; F25-F96 AromaticContact CE2-CD2 3.83Å; F25-F96 HydrophobicContact CE2-CD2 3.83Å; F25-F96 AromaticContact CE2-CE2 3.64Å; F25-F96 HydrophobicContact CE2-CE2 3.64Å; F25-F96 HydrophobicContact CZ-CD2 4.43Å; F25-F96 HydrophobicContact CZ-CE2 4.36Å; Y91-F96 HydrophobicContact CE1-CE2 4.45Å; Y94-F96 PolarHBondContact O-N 2.68Å

Retrieved 96 of 96 residues in 24.1 ms (Link to these results)

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