X5J5G8_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5G8, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 86 aa.

						>X5J5G8_MOUSE|X5J5G8
PELVKPGASVKICCKASGYSFTGYYMHWVKQSHGKSLEWIGYIYPYNGFSSYNQKFKGKATLTVDKSSSTAYMELRSLTSEDSAIY
					

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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	72.3	Confident	89	Confident	181 Å²	181	103.4 Å²	103.4	100%	1.175	60%	0.595	S	S	*	*				0	121.9	0	1.8	19.5	0	0	0	110.1
2	E	83	Confident	89.6	Confident	140 Å²	140	98.3 Å²	98.3	65%	0.654	56%	0.563	S	S	*	*			trans	-96.9	127.4	176.6	-167.2	175.4	170	0	0	108.9	V4	E2-V4 HydrophobicContact CG-CG1 4.28Å
3	L	87.5	Confident	90.2	Very high	171 Å²	171	97 Å²	97	90%	0.895	56%	0.563	S	S	*	*			trans	-106.6	123.3	176.5	-69.8	171.5	0	0	0	108.4
4	V	88.9	Confident	90.6	Very high	64 Å²	64	93.4 Å²	93.4	39%	0.388	55%	0.545	S	S	.	.			trans	-124.8	146.4	-176.2	-78.1	0	0	0	0	110.2	E2 V10 L78	E2-V4 HydrophobicContact CG-CG1 4.28Å; V4-V10 HydrophobicContact CG1-CB 4.43Å; V4-V10 HydrophobicContact CG1-CG2 4.42Å; V4-L78 HydrophobicContact CB-CD1 4.24Å; V4-L78 HydrophobicContact CG2-CD1 3.47Å; V4-L78 VanDerWaalsContact CG2-CD1 3.47Å
5	K	88.4	Confident	91	Very high	170 Å²	170	97.3 Å²	97.3	74%	0.739	55%	0.553	S	S	*	*			trans	-70.1	147.4	178.1	-65.3	-179	-177.8	179	0	109.9	G7 A8	K5-G7 PolarHBondContact O-N 3.33Å; K5-A8 WeakPolarHBondContact O-CB 3.36Å; K5-A8 PolarHBondContact O-N 3.06Å; K5-A8 VanDerWaalsContact O-N 3.11Å
6	P	89.2	Confident	91.3	Very high	120 Å²	120	91.8 Å²	91.8	78%	0.779	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	140.7	169.5	-24.6	34.1	0	0	0	111.5	A8	P6-A8 PolarHBondContact O-N 3.48Å
7	G	90.8	Very high	91.6	Very high	53 Å²	53	92.3 Å²	92.3	55%	0.546	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	-10.4	-176.9	0	0	0	0	0	115	K5 L78	K5-G7 PolarHBondContact O-N 3.33Å; G7-L78 PolarHBondContact N-O 2.95Å
8	A	93.9	Very high	91.8	Very high	35 Å²	35	92.2 Å²	92.2	29%	0.289	56%	0.555	S	S	.	*			trans	-70.8	168.7	173.9	0	0	0	0	0	111.7	K5 P6 S77 L78	K5-A8 WeakPolarHBondContact O-CB 3.36Å; K5-A8 PolarHBondContact O-N 3.06Å; K5-A8 VanDerWaalsContact O-N 3.11Å; P6-A8 PolarHBondContact O-N 3.48Å; A8-S77 PolarHBondContact O-N 3.22Å; A8-L78 WeakPolarHBondContact O-CB 3.49Å; A8-L78 VanDerWaalsContact O-CG 3.28Å; A8-L78 WeakPolarHBondContact O-CG 3.42Å; A8-L78 PolarHBondContact O-N 3.33Å
9	S	94.8	Very high	91.8	Very high	63 Å²	63	92.9 Å²	92.9	44%	0.441	55%	0.548	S	S	.	.			trans	-109.6	147.5	169.1	-57	0	0	0	0	109.8	L75	S9-L75 CarbonylContact C-O 3.57Å; S9-L75 WeakPolarHBondContact CA-O 3.15Å; S9-L75 WeakPolarHBondContact CB-O 3.39Å
10	V	95	Very high	92	Very high	16 Å²	16	92.1 Å²	92.1	10%	0.097	55%	0.547	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	145.8	174.1	70.5	0	0	0	0	109.8	V4 I12 E74 L75 L78	V4-V10 HydrophobicContact CG1-CB 4.43Å; V4-V10 HydrophobicContact CG1-CG2 4.42Å; V10-I12 HydrophobicContact CG1-CG1 4.43Å; V10-E74 CarbonylContact O-C 3.56Å; V10-E74 VanDerWaalsContact O-CA 3.32Å; V10-E74 WeakPolarHBondContact O-CA 3.03Å; V10-L75 HydrophobicContact CG1-CB 4.07Å; V10-L75 HydrophobicContact CG1-CD1 4.41Å; V10-L75 PolarHBondContact N-O 3.2Å; V10-L75 PolarHBondContact O-N 2.99Å; V10-L78 HydrophobicContact CB-CD1 3.97Å; V10-L78 HydrophobicContact CG1-CD1 3.73Å; V10-L78 HydrophobicContact CG1-CD2 4.39Å
11	K	95.9	Very high	92.1	Very high	124 Å²	124	88 Å²	88	54%	0.539	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	112.7	176.1	-172.5	177	-179.6	-179.9	0	109.8	Y72 M73	K11-Y72 HydrophobicContact CD-CD1 4.3Å; K11-Y72 VanDerWaalsContact CE-CG 3.47Å; K11-Y72 HydrophobicContact CG-CD1 4.26Å; K11-M73 WeakPolarHBondContact CA-O 3.46Å
12	I	95.9	Very high	93.3	Very high	42 Å²	42	81.7 Å²	81.7	22%	0.215	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	139.1	178.8	-50.4	179.6	0	0	0	108.3	V10 W28 Y72 M73 L75 Y86	V10-I12 HydrophobicContact CG1-CG1 4.43Å; I12-W28 HydrophobicContact CB-CH2 4.28Å; I12-W28 HydrophobicContact CB-CZ3 4.01Å; I12-W28 HydrophobicContact CG2-CH2 4.09Å; I12-W28 HydrophobicContact CG2-CZ3 3.68Å; I12-Y72 CarbonylContact O-C 3.5Å; I12-Y72 WeakPolarHBondContact O-CA 3.39Å; I12-M73 HydrophobicContact CD1-CE 3.81Å; I12-M73 PolarHBondContact N-O 3.32Å; I12-M73 PolarHBondContact O-N 3.11Å; I12-L75 HydrophobicContact CD1-CD1 4.46Å; I12-Y86 HydrophobicContact CD1-CD1 4.49Å; I12-Y86 HydrophobicContact CD1-CD2 4.13Å; I12-Y86 HydrophobicContact CD1-CG 3.89Å
13	C	96.6	Very high	93.9	Very high	82 Å²	82	77 Å²	77	55%	0.554	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	146.9	178.1	71.1	0	0	0	0	111.9	T70 A71 Y72	C13-T70 HydrophobicContact CB-CG2 3.92Å; C13-A71 CarbonylContact C-O 3.5Å; C13-A71 WeakPolarHBondContact CA-O 3.25Å; C13-Y72 HydrophobicContact CB-CD1 3.39Å; C13-Y72 HydrophobicContact CB-CE1 3.39Å; C13-Y72 HydrophobicContact CB-CG 4.46Å
14	C	96.3	Very high	94.3	Very high	46 Å²	46	75.6 Å²	75.6	31%	0.311	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	110.2	173.1	177.9	0	0	0	0	108.3	W28 T70 A71	C14-W28 HydrophobicContact CB-CH2 3.99Å; C14-W28 HydrophobicContact CB-CZ2 4.24Å; C14-T70 CarbonylContact O-C 3.53Å; C14-T70 WeakPolarHBondContact O-CA 3.19Å; C14-A71 PolarHBondContact N-O 3.49Å; C14-A71 PolarHBondContact O-N 2.6Å
15	K	97.1	Very high	94.7	Very high	153 Å²	153	78.2 Å²	78.2	67%	0.665	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	118.8	178.5	-174.5	174.8	-178.1	178.7	0	109.9	T70	K15-T70 HydrophobicContact CB-CG2 4.42Å
16	A	95.8	Very high	95.1	Very high	9 Å²	9	71.4 Å²	71.4	7%	0.074	43%	0.428	C	S	.	.			trans	-82.2	149.3	176	0	0	0	0	0	111.4	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 4.08Å; A16-Y19 HydrophobicContact CB-CE2 4.07Å; A16-Y19 VanDerWaalsContact CB-OH 3.23Å; A16-Y19 WeakPolarHBondContact CB-OH 3.46Å; A16-F21 HydrophobicContact CB-CB 4.27Å; A16-F21 HydrophobicContact CB-CD2 3.44Å; A16-F21 VanDerWaalsContact CB-CD2 3.44Å; A16-F21 HydrophobicContact CB-CE2 4.12Å; A16-F21 HydrophobicContact CB-CG 4.18Å; A16-S69 PolarHBondContact N-O 3.1Å
17	S	96.2	Very high	95.5	Very high	100 Å²	100	70.5 Å²	70.5	70%	0.699	41%	0.413	S	S	*	.			trans	-151.5	155.3	172.4	61.8	0	0	0	0	110.6	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.47Å; S17-Y19 WeakPolarHBondContact O-CE1 3.31Å
18	G	95.2	Very high	95.8	Very high	90 Å²	90	68.4 Å²	68.4	93%	0.928	39%	0.389	S	S	*	.	S	Bend	trans	83.2	3.4	176.5	0	0	0	0	0	116
19	Y	91.9	Very high	96	Very high	107 Å²	107	69.3 Å²	69.3	42%	0.42	39%	0.39	S	S	.	.	S	Bend	trans	-154.2	171	177.1	61.1	-89.7	0	0	0	111.9	A16 S17 F21 Y24	A16-Y19 HydrophobicContact CB-CE1 4.08Å; A16-Y19 HydrophobicContact CB-CE2 4.07Å; A16-Y19 VanDerWaalsContact CB-OH 3.23Å; A16-Y19 WeakPolarHBondContact CB-OH 3.46Å; S17-Y19 WeakPolarHBondContact O-CD1 3.47Å; S17-Y19 WeakPolarHBondContact O-CE1 3.31Å; Y19-F21 PolarHBondContact O-N 2.79Å; Y19-Y24 AromaticContact CD2-CD2 3.47Å; Y19-Y24 HydrophobicContact CD2-CD2 3.47Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.47Å; Y19-Y24 AromaticContact CD2-CE2 3.79Å; Y19-Y24 HydrophobicContact CD2-CE2 3.79Å; Y19-Y24 HydrophobicContact CD2-CG 4.37Å; Y19-Y24 AromaticContact CE2-CD2 3.84Å; Y19-Y24 HydrophobicContact CE2-CD2 3.84Å; Y19-Y24 HydrophobicContact CE2-CG 4.36Å; Y19-Y24 HydrophobicContact CG-CD2 4.45Å; Y19-Y24 HydrophobicContact CG-CE2 4.38Å
20	S	94.8	Very high	96	Very high	76 Å²	76	66.8 Å²	66.8	53%	0.531	37%	0.371	S	S	.	.			trans	-72.1	96.3	174.1	-174.7	0	0	0	0	110.5	T22 G23 Y24	S20-T22 PolarHBondContact O-N 2.81Å; S20-T22 VanDerWaalsContact O-N 3.11Å; S20-T22 PolarHBondContact OG-OG1 3.41Å; S20-G23 PolarHBondContact O-N 2.57Å; S20-Y24 WeakPolarHBondContact O-CD2 3.45Å
21	F	95.6	Very high	96.1	Very high	7 Å²	7	70.4 Å²	70.4	3%	0.031	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-51.8	-35.3	-177.9	174.3	-118.2	0	0	0	113.4	A16 Y19 G23 M26 P45 V64 A71	A16-F21 HydrophobicContact CB-CB 4.27Å; A16-F21 HydrophobicContact CB-CD2 3.44Å; A16-F21 VanDerWaalsContact CB-CD2 3.44Å; A16-F21 HydrophobicContact CB-CE2 4.12Å; A16-F21 HydrophobicContact CB-CG 4.18Å; Y19-F21 PolarHBondContact O-N 2.79Å; F21-G23 VanDerWaalsContact C-N 3.25Å; F21-G23 PolarHBondContact O-N 2.99Å; F21-M26 HydrophobicContact CE2-CE 4.04Å; F21-P45 HydrophobicContact CD1-CB 3.94Å; F21-P45 HydrophobicContact CD1-CG 4.38Å; F21-P45 HydrophobicContact CD2-CG 4.3Å; F21-P45 HydrophobicContact CE1-CB 3.57Å; F21-P45 HydrophobicContact CE1-CG 3.96Å; F21-P45 HydrophobicContact CE2-CB 4.39Å; F21-P45 HydrophobicContact CE2-CG 3.87Å; F21-P45 HydrophobicContact CZ-CB 3.83Å; F21-P45 HydrophobicContact CZ-CG 3.69Å; F21-P45 WeakPolarHBondContact O-CG 3.4Å; F21-V64 HydrophobicContact CE1-CB 4.42Å; F21-V64 HydrophobicContact CZ-CB 4.47Å; F21-V64 HydrophobicContact CZ-CG1 4.22Å; F21-A71 HydrophobicContact CE2-CB 4.37Å; F21-A71 HydrophobicContact CZ-CB 4.1Å
22	T	96.4	Very high	96	Very high	48 Å²	48	65 Å²	65	29%	0.294	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-72.5	-15.2	-179.9	53.3	0	0	0	0	113.9	S20 Y44 Y46 K66	S20-T22 PolarHBondContact O-N 2.81Å; S20-T22 VanDerWaalsContact O-N 3.11Å; S20-T22 PolarHBondContact OG-OG1 3.41Å; T22-Y44 VanDerWaalsContact O-CE2 3.24Å; T22-Y44 WeakPolarHBondContact O-CE2 3.35Å; T22-Y46 WeakPolarHBondContact O-CB 3.49Å; T22-K66 HydrophobicContact CG2-CG 4.4Å
23	G	95.7	Very high	95.7	Very high	40 Å²	40	72.4 Å²	72.4	41%	0.412	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-87.5	-4.5	-178.5	0	0	0	0	0	115.5	S20 F21	S20-G23 PolarHBondContact O-N 2.57Å; F21-G23 VanDerWaalsContact C-N 3.25Å; F21-G23 PolarHBondContact O-N 2.99Å
24	Y	95.3	Very high	95.4	Very high	142 Å²	142	72.5 Å²	72.5	56%	0.557	41%	0.414	S	S	*	.	S	Bend	trans	-130.4	141.7	-172.7	-63.8	-87.5	0	0	0	112.4	Y19 S20 P45	Y19-Y24 AromaticContact CD2-CD2 3.47Å; Y19-Y24 HydrophobicContact CD2-CD2 3.47Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.47Å; Y19-Y24 AromaticContact CD2-CE2 3.79Å; Y19-Y24 HydrophobicContact CD2-CE2 3.79Å; Y19-Y24 HydrophobicContact CD2-CG 4.37Å; Y19-Y24 AromaticContact CE2-CD2 3.84Å; Y19-Y24 HydrophobicContact CE2-CD2 3.84Å; Y19-Y24 HydrophobicContact CE2-CG 4.36Å; Y19-Y24 HydrophobicContact CG-CD2 4.45Å; Y19-Y24 HydrophobicContact CG-CE2 4.38Å; S20-Y24 WeakPolarHBondContact O-CD2 3.45Å; Y24-P45 WeakPolarHBondContact O-CD 3.19Å
25	Y	96.9	Very high	95.1	Very high	120 Å²	120	76.2 Å²	76.2	47%	0.471	43%	0.425	S	S	.	.			trans	-69.1	133.8	171.4	-66.4	-89.2	0	0	0	110.5	Y42 Y44	Y25-Y42 AromaticContact CD1-CD2 3.52Å; Y25-Y42 HydrophobicContact CD1-CD2 3.52Å; Y25-Y42 AromaticContact CD1-CE2 3.67Å; Y25-Y42 HydrophobicContact CD1-CE2 3.67Å; Y25-Y42 HydrophobicContact CD1-CG 4.27Å; Y25-Y42 HydrophobicContact CE1-CD2 4.07Å; Y25-Y42 AromaticContact CE1-CE2 3.72Å; Y25-Y42 HydrophobicContact CE1-CE2 3.72Å; Y25-Y44 HydrophobicContact CD1-CD2 4.06Å; Y25-Y44 AromaticContact CD1-CG 4Å; Y25-Y44 HydrophobicContact CD1-CG 4Å; Y25-Y44 HydrophobicContact CD2-CD2 4.42Å; Y25-Y44 VanDerWaalsContact CE1-CB 3.48Å; Y25-Y44 HydrophobicContact CE1-CD1 4.26Å; Y25-Y44 HydrophobicContact CE1-CD2 4.06Å; Y25-Y44 AromaticContact CE1-CG 3.68Å; Y25-Y44 HydrophobicContact CE1-CG 3.68Å; Y25-Y44 HydrophobicContact CE2-CD2 4.38Å; Y25-Y44 HydrophobicContact CG-CD2 4.25Å
26	M	97.3	Very high	94.8	Very high	26 Å²	26	73.5 Å²	73.5	13%	0.128	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	114.6	170.2	-172.5	61.6	64.7	0	0	109.2	F21 Y42 I43 A71	F21-M26 HydrophobicContact CE2-CE 4.04Å; M26-Y42 CarbonylContact O-C 3.53Å; M26-Y42 WeakPolarHBondContact O-CA 3.38Å; M26-Y42 WeakPolarHBondContact O-CB 3.48Å; M26-I43 HydrophobicContact CB-CG2 4.15Å; M26-I43 PolarHBondContact N-O 2.81Å; M26-I43 PolarHBondContact O-N 3.15Å; M26-A71 HydrophobicContact CB-CB 4.15Å; M26-A71 HydrophobicContact CG-CB 3.68Å
27	H	97.7	Very high	94.8	Very high	101 Å²	101	78.4 Å²	78.4	47%	0.468	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	143.7	177.1	-70.1	-104.5	0	0	0	110.7	W39 Y42	H27-W39 AromaticContact ND1-NE1 3.31Å; H27-W39 PolarHBondContact ND1-NE1 3.38Å; H27-Y42 AromaticContact CE1-CD1 3.7Å
28	W	98.1	Very high	94.8	Very high	10 Å²	10	75.4 Å²	75.4	4%	0.038	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133	171.8	-65.1	88	0	0	0	109.1	I12 C14 I40 G41 L62 A71 M73	I12-W28 HydrophobicContact CB-CH2 4.28Å; I12-W28 HydrophobicContact CB-CZ3 4.01Å; I12-W28 HydrophobicContact CG2-CH2 4.09Å; I12-W28 HydrophobicContact CG2-CZ3 3.68Å; C14-W28 HydrophobicContact CB-CH2 3.99Å; C14-W28 HydrophobicContact CB-CZ2 4.24Å; W28-I40 HydrophobicContact CB-CB 4.11Å; W28-I40 HydrophobicContact CB-CD1 4.28Å; W28-I40 WeakPolarHBondContact O-CB 3.48Å; W28-I40 PolarHBondContact O-N 2.92Å; W28-G41 PolarHBondContact N-O 2.79Å; W28-L62 VanDerWaalsContact CD1-CD2 3.48Å; W28-L62 HydrophobicContact CG-CD2 3.96Å; W28-A71 HydrophobicContact CZ2-CB 4.2Å; W28-M73 HydrophobicContact CB-SD 3.84Å; W28-M73 HydrophobicContact CD2-CB 3.62Å; W28-M73 HydrophobicContact CD2-CE 4.23Å; W28-M73 HydrophobicContact CD2-CG 4.4Å; W28-M73 HydrophobicContact CD2-SD 4Å; W28-M73 HydrophobicContact CE3-CB 3.74Å; W28-M73 HydrophobicContact CE3-CE 3.61Å; W28-M73 HydrophobicContact CE3-CG 4.5Å; W28-M73 HydrophobicContact CE3-SD 4.01Å; W28-M73 HydrophobicContact CG-CB 4.24Å; W28-M73 HydrophobicContact CG-SD 3.96Å; W28-M73 HydrophobicContact CH2-CB 3.92Å; W28-M73 HydrophobicContact CZ2-CB 3.82Å; W28-M73 HydrophobicContact CZ3-CB 3.89Å; W28-M73 HydrophobicContact CZ3-CE 4.16Å
29	V	97.3	Very high	94.9	Very high	53 Å²	53	75.1 Å²	75.1	32%	0.321	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	155.8	-179.2	-67.2	0	0	0	0	108.9	E38 Y86	V29-E38 CarbonylContact C-O 3.56Å; V29-E38 WeakPolarHBondContact CA-O 3.4Å; V29-Y86 WeakPolarHBondContact O-CA 3.28Å; V29-Y86 VanDerWaalsContact O-OXT 3.09Å
30	K	95.4	Very high	95.2	Very high	10 Å²	10	70 Å²	70	4%	0.043	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	133	175.9	-179.2	-175.9	177.1	-173	0	108.8	S32 E38 I40 F56 E81 D82 A84 I85 Y86	K30-S32 WeakPolarHBondContact CE-OG 3.32Å; K30-E38 HydrophobicContact CB-CB 4.46Å; K30-E38 PolarHBondContact N-O 2.85Å; K30-E38 PolarHBondContact O-N 2.79Å; K30-I40 HydrophobicContact CB-CD1 4.06Å; K30-I40 HydrophobicContact CB-CG1 4.22Å; K30-F56 HydrophobicContact CD-CE1 4.13Å; K30-F56 HydrophobicContact CD-CZ 4.12Å; K30-E81 WeakPolarHBondContact CE-O 2.9Å; K30-E81 PolarHBondContact NZ-O 2.94Å; K30-D82 IonicContact NZ-OD1 2.57Å; K30-A84 HydrophobicContact CD-CB 4.07Å; K30-A84 HydrophobicContact CG-CB 3.42Å; K30-A84 VanDerWaalsContact CG-CB 3.42Å; K30-I85 CarbonylContact C-O 3.57Å; K30-I85 WeakPolarHBondContact CA-O 3.37Å; K30-Y86 HydrophobicContact CB-CD1 4.05Å; K30-Y86 HydrophobicContact CB-CE1 3.82Å; K30-Y86 HydrophobicContact CD-CE1 3.82Å; K30-Y86 WeakPolarHBondContact CE-OH 3.3Å; K30-Y86 HydrophobicContact CG-CD1 4.14Å; K30-Y86 HydrophobicContact CG-CE1 3.6Å
31	Q	95.8	Very high	95.3	Very high	93 Å²	93	66.4 Å²	66.4	44%	0.435	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	105.3	170.7	-159.1	176.3	14.9	0	0	110.2	L37 A84 I85	Q31-L37 HydrophobicContact CB-CD2 3.71Å; Q31-L37 HydrophobicContact CG-CD2 3.86Å; Q31-A84 WeakPolarHBondContact O-CA 2.85Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.4Å; Q31-I85 HydrophobicContact CB-CB 4.48Å; Q31-I85 PolarHBondContact N-O 3.26Å; Q31-I85 PolarHBondContact O-N 3.5Å
32	S	93.8	Very high	95.5	Very high	11 Å²	11	68.4 Å²	68.4	8%	0.077	36%	0.357	C	S	.	.			trans	-83.2	153.5	172.6	-47.9	0	0	0	0	109.9	K30 G34 K35	K30-S32 WeakPolarHBondContact CE-OG 3.32Å; S32-G34 PolarHBondContact O-N 2.68Å; S32-K35 PolarHBondContact O-N 2.79Å
33	H	91.1	Very high	95.5	Very high	196 Å²	196	66.4 Å²	66.4	91%	0.907	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	123.6	179.5	-165.5	-111.2	0	0	0	111.4	K35	H33-K35 VanDerWaalsContact C-N 3.26Å; H33-K35 PolarHBondContact O-N 2.83Å
34	G	89.5	Confident	95.6	Very high	85 Å²	85	66.8 Å²	66.8	88%	0.876	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	9.4	-178.4	0	0	0	0	0	115.9	S32	S32-G34 PolarHBondContact O-N 2.68Å
35	K	90	Very high	95.7	Very high	124 Å²	124	60 Å²	60	54%	0.539	31%	0.308	S	S	.	.	S	Bend	trans	-112.1	159.4	177	-59.7	-167.3	-175.4	175.2	0	112	S32 H33	S32-K35 PolarHBondContact O-N 2.79Å; H33-K35 VanDerWaalsContact C-N 3.26Å; H33-K35 PolarHBondContact O-N 2.83Å
36	S	91.8	Very high	95.7	Very high	96 Å²	96	61.2 Å²	61.2	67%	0.671	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-66.7	164.9	170.3	55	0	0	0	0	111.7	E38	S36-E38 PolarHBondContact O-N 3.38Å
37	L	95.3	Very high	95.7	Very high	112 Å²	112	64.8 Å²	64.8	59%	0.586	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	125.4	172.7	-69.1	170.3	0	0	0	110.2	Q31	Q31-L37 HydrophobicContact CB-CD2 3.71Å; Q31-L37 HydrophobicContact CG-CD2 3.86Å
38	E	96	Very high	95.6	Very high	37 Å²	37	61.5 Å²	61.5	17%	0.173	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	117.3	173.5	-67.8	-170.1	91	0	0	109.4	V29 K30 S36 I40 K55 F56	V29-E38 CarbonylContact C-O 3.56Å; V29-E38 WeakPolarHBondContact CA-O 3.4Å; K30-E38 HydrophobicContact CB-CB 4.46Å; K30-E38 PolarHBondContact N-O 2.85Å; K30-E38 PolarHBondContact O-N 2.79Å; S36-E38 PolarHBondContact O-N 3.38Å; E38-I40 PolarHBondContact O-N 3.36Å; E38-K55 IonicContact OE1-NZ 3.03Å; E38-K55 PolarHBondContact OE1-NZ 2.82Å; E38-F56 HydrophobicContact CB-CE2 4.45Å; E38-F56 HydrophobicContact CB-CZ 4.43Å
39	W	97.4	Very high	95.5	Very high	84 Å²	84	66.3 Å²	66.3	32%	0.318	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	127.4	174.9	178.7	68.4	0	0	0	110.7	H27 G41 Y42 N53	H27-W39 AromaticContact ND1-NE1 3.31Å; H27-W39 PolarHBondContact ND1-NE1 3.38Å; W39-G41 VanDerWaalsContact CE2-C 3.49Å; W39-G41 VanDerWaalsContact CE2-CA 3.47Å; W39-G41 PolarHBondContact NE1-O 3.01Å; W39-Y42 HydrophobicContact CH2-CD1 4.28Å; W39-Y42 AromaticContact CZ2-CD1 3.5Å; W39-Y42 HydrophobicContact CZ2-CD1 3.5Å; W39-Y42 HydrophobicContact CZ2-CE1 4.14Å; W39-Y42 HydrophobicContact CZ2-CG 4.32Å; W39-N53 HydrophobicContact CE3-CB 3.85Å; W39-N53 HydrophobicContact CZ3-CB 4Å; W39-N53 WeakPolarHBondContact O-CB 3.14Å; W39-N53 PolarHBondContact O-ND2 2.87Å
40	I	97.6	Very high	95.5	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-49.2	-178.7	-61.2	174.2	0	0	0	110.3	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.11Å; W28-I40 HydrophobicContact CB-CD1 4.28Å; W28-I40 WeakPolarHBondContact O-CB 3.48Å; W28-I40 PolarHBondContact O-N 2.92Å; K30-I40 HydrophobicContact CB-CD1 4.06Å; K30-I40 HydrophobicContact CB-CG1 4.22Å; E38-I40 PolarHBondContact O-N 3.36Å; I40-N53 PolarHBondContact O-N 2.78Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.3Å; I40-F56 HydrophobicContact CG1-CD1 4.23Å; I40-F56 HydrophobicContact CG1-CD2 4.2Å; I40-F56 HydrophobicContact CG1-CE1 4.14Å; I40-F56 HydrophobicContact CG1-CE2 4.11Å; I40-F56 HydrophobicContact CG1-CG 4.26Å; I40-F56 HydrophobicContact CG1-CZ 4.08Å; I40-F56 HydrophobicContact CG2-CB 3.84Å; I40-F56 HydrophobicContact CG2-CD1 4.24Å; I40-F56 HydrophobicContact CG2-CD2 4.33Å; I40-F56 HydrophobicContact CG2-CG 3.89Å; I40-A60 HydrophobicContact CG2-CB 3.83Å; I40-M73 HydrophobicContact CD1-CE 3.81Å; I40-M73 HydrophobicContact CD1-SD 3.58Å; I40-M73 VanDerWaalsContact CD1-SD 3.58Å; I40-M73 HydrophobicContact CG2-SD 3.92Å; I40-Y86 HydrophobicContact CD1-CD1 3.79Å; I40-Y86 HydrophobicContact CD1-CE1 3.88Å
41	G	98	Very high	95.6	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.3	177.9	-170.4	0	0	0	0	0	112.2	W28 W39 S51	W28-G41 PolarHBondContact N-O 2.79Å; W39-G41 VanDerWaalsContact CE2-C 3.49Å; W39-G41 VanDerWaalsContact CE2-CA 3.47Å; W39-G41 PolarHBondContact NE1-O 3.01Å; G41-S51 CarbonylContact C-O 3.49Å; G41-S51 WeakPolarHBondContact CA-O 3.28Å
42	Y	98.1	Very high	95.7	Very high	48 Å²	48	65.9 Å²	65.9	19%	0.188	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	159.6	165.8	67.7	-109.1	0	0	0	110.5	Y25 M26 H27 W39 F49 S50 S51	Y25-Y42 AromaticContact CD1-CD2 3.52Å; Y25-Y42 HydrophobicContact CD1-CD2 3.52Å; Y25-Y42 AromaticContact CD1-CE2 3.67Å; Y25-Y42 HydrophobicContact CD1-CE2 3.67Å; Y25-Y42 HydrophobicContact CD1-CG 4.27Å; Y25-Y42 HydrophobicContact CE1-CD2 4.07Å; Y25-Y42 AromaticContact CE1-CE2 3.72Å; Y25-Y42 HydrophobicContact CE1-CE2 3.72Å; M26-Y42 CarbonylContact O-C 3.53Å; M26-Y42 WeakPolarHBondContact O-CA 3.38Å; M26-Y42 WeakPolarHBondContact O-CB 3.48Å; H27-Y42 AromaticContact CE1-CD1 3.7Å; W39-Y42 HydrophobicContact CH2-CD1 4.28Å; W39-Y42 AromaticContact CZ2-CD1 3.5Å; W39-Y42 HydrophobicContact CZ2-CD1 3.5Å; W39-Y42 HydrophobicContact CZ2-CE1 4.14Å; W39-Y42 HydrophobicContact CZ2-CG 4.32Å; Y42-F49 AromaticContact CE2-CD1 3.94Å; Y42-F49 HydrophobicContact CE2-CD1 3.94Å; Y42-F49 AromaticContact CE2-CE1 3.99Å; Y42-F49 HydrophobicContact CE2-CE1 3.99Å; Y42-F49 VanDerWaalsContact OH-CE1 3.3Å; Y42-F49 WeakPolarHBondContact OH-CE1 3.14Å; Y42-S50 WeakPolarHBondContact O-CA 3.5Å; Y42-S50 WeakPolarHBondContact O-CB 3.36Å; Y42-S51 PolarHBondContact N-O 3.03Å; Y42-S51 PolarHBondContact O-N 2.99Å; Y42-S51 VanDerWaalsContact O-N 3.1Å
43	I	98.3	Very high	95.9	Very high	6 Å²	6	67.5 Å²	67.5	3%	0.031	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133.1	167.3	-174.2	156.5	0	0	0	109.4	M26 P45 F49 L62 V64	M26-I43 HydrophobicContact CB-CG2 4.15Å; M26-I43 PolarHBondContact N-O 2.81Å; M26-I43 PolarHBondContact O-N 3.15Å; I43-P45 WeakPolarHBondContact O-CD 3.49Å; I43-F49 CarbonylContact C-O 3.58Å; I43-F49 WeakPolarHBondContact CA-O 3.39Å; I43-L62 HydrophobicContact CB-CB 4.07Å; I43-L62 HydrophobicContact CB-CD1 4.39Å; I43-L62 HydrophobicContact CD1-CB 4.22Å; I43-L62 HydrophobicContact CG2-CB 4.27Å; I43-V64 HydrophobicContact CB-CG1 4.46Å; I43-V64 HydrophobicContact CD1-CG1 3.86Å; I43-V64 HydrophobicContact CD1-CG2 4.36Å; I43-V64 HydrophobicContact CG1-CG1 3.91Å; I43-V64 HydrophobicContact CG2-CG1 3.71Å
44	Y	97.9	Very high	96.1	Very high	48 Å²	48	66.4 Å²	66.4	19%	0.188	35%	0.352	C	S	.	.			trans	-89.6	110.6	172.3	-171.2	-149.2	0	0	0	109.2	T22 Y25 Y46 N47 G48 F49	T22-Y44 VanDerWaalsContact O-CE2 3.24Å; T22-Y44 WeakPolarHBondContact O-CE2 3.35Å; Y25-Y44 HydrophobicContact CD1-CD2 4.06Å; Y25-Y44 AromaticContact CD1-CG 4Å; Y25-Y44 HydrophobicContact CD1-CG 4Å; Y25-Y44 HydrophobicContact CD2-CD2 4.42Å; Y25-Y44 VanDerWaalsContact CE1-CB 3.48Å; Y25-Y44 HydrophobicContact CE1-CD1 4.26Å; Y25-Y44 HydrophobicContact CE1-CD2 4.06Å; Y25-Y44 AromaticContact CE1-CG 3.68Å; Y25-Y44 HydrophobicContact CE1-CG 3.68Å; Y25-Y44 HydrophobicContact CE2-CD2 4.38Å; Y25-Y44 HydrophobicContact CG-CD2 4.25Å; Y44-Y46 AromaticContact CE1-CD1 3.95Å; Y44-Y46 HydrophobicContact CE1-CD1 3.95Å; Y44-Y46 HydrophobicContact CE1-CG 4.03Å; Y44-Y46 PolarHBondContact O-N 2.93Å; Y44-Y46 VanDerWaalsContact O-N 3.16Å; Y44-N47 WeakPolarHBondContact CD1-OD1 3.48Å; Y44-N47 PolarHBondContact O-N 2.97Å; Y44-G48 VanDerWaalsContact O-CA 3.28Å; Y44-G48 WeakPolarHBondContact O-CA 3.38Å; Y44-G48 PolarHBondContact O-N 2.8Å; Y44-F49 PolarHBondContact N-O 2.9Å
45	P	97.4	Very high	96.3	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-23.1	-171.9	-19.9	33.1	0	0	0	113.2	F21 Y24 I43 N47 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.94Å; F21-P45 HydrophobicContact CD1-CG 4.38Å; F21-P45 HydrophobicContact CD2-CG 4.3Å; F21-P45 HydrophobicContact CE1-CB 3.57Å; F21-P45 HydrophobicContact CE1-CG 3.96Å; F21-P45 HydrophobicContact CE2-CB 4.39Å; F21-P45 HydrophobicContact CE2-CG 3.87Å; F21-P45 HydrophobicContact CZ-CB 3.83Å; F21-P45 HydrophobicContact CZ-CG 3.69Å; F21-P45 WeakPolarHBondContact O-CG 3.4Å; Y24-P45 WeakPolarHBondContact O-CD 3.19Å; I43-P45 WeakPolarHBondContact O-CD 3.49Å; P45-N47 PolarHBondContact O-N 3.47Å; P45-V64 HydrophobicContact CB-CB 4.38Å; P45-V64 HydrophobicContact CB-CG1 4.02Å; P45-V64 HydrophobicContact CG-CG1 4.15Å; P45-K66 WeakPolarHBondContact O-CE 3.42Å
46	Y	96.6	Very high	96.5	Very high	146 Å²	146	63.9 Å²	63.9	57%	0.573	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-53.4	178	-176.6	-111.6	0	0	0	113.4	T22 Y44 K66	T22-Y46 WeakPolarHBondContact O-CB 3.49Å; Y44-Y46 AromaticContact CE1-CD1 3.95Å; Y44-Y46 HydrophobicContact CE1-CD1 3.95Å; Y44-Y46 HydrophobicContact CE1-CG 4.03Å; Y44-Y46 PolarHBondContact O-N 2.93Å; Y44-Y46 VanDerWaalsContact O-N 3.16Å; Y46-K66 WeakPolarHBondContact O-CE 3.45Å; Y46-K66 PolarHBondContact O-NZ 2.99Å
47	N	96.1	Very high	96.6	Very high	100 Å²	100	66.9 Å²	66.9	54%	0.535	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	2.9	-174.4	63.6	3.4	0	0	0	113.5	Y44 P45 F49	Y44-N47 WeakPolarHBondContact CD1-OD1 3.48Å; Y44-N47 PolarHBondContact O-N 2.97Å; P45-N47 PolarHBondContact O-N 3.47Å; N47-F49 PolarHBondContact O-N 2.91Å; N47-F49 WeakPolarHBondContact OD1-CB 3.42Å; N47-F49 PolarHBondContact OD1-N 3.37Å
48	G	95.4	Very high	96.4	Very high	32 Å²	32	65.1 Å²	65.1	33%	0.33	33%	0.326	S	S	.	.			trans	73.6	9.5	-178.3	0	0	0	0	0	113.9	Y44 S50	Y44-G48 VanDerWaalsContact O-CA 3.28Å; Y44-G48 WeakPolarHBondContact O-CA 3.38Å; Y44-G48 PolarHBondContact O-N 2.8Å; G48-S50 PolarHBondContact O-N 3.15Å
49	F	97	Very high	96.4	Very high	111 Å²	111	65.6 Å²	65.6	49%	0.487	33%	0.328	S	S	.	.			trans	-60.6	125.7	177.5	178.4	-106.6	0	0	0	110.2	Y42 I43 Y44 N47	Y42-F49 AromaticContact CE2-CD1 3.94Å; Y42-F49 HydrophobicContact CE2-CD1 3.94Å; Y42-F49 AromaticContact CE2-CE1 3.99Å; Y42-F49 HydrophobicContact CE2-CE1 3.99Å; Y42-F49 VanDerWaalsContact OH-CE1 3.3Å; Y42-F49 WeakPolarHBondContact OH-CE1 3.14Å; I43-F49 CarbonylContact C-O 3.58Å; I43-F49 WeakPolarHBondContact CA-O 3.39Å; Y44-F49 PolarHBondContact N-O 2.9Å; N47-F49 PolarHBondContact O-N 2.91Å; N47-F49 WeakPolarHBondContact OD1-CB 3.42Å; N47-F49 PolarHBondContact OD1-N 3.37Å
50	S	97.2	Very high	96.4	Very high	44 Å²	44	61.8 Å²	61.8	31%	0.308	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.9	-175.9	64.7	0	0	0	0	111.7	Y42 G48 Y52	Y42-S50 WeakPolarHBondContact O-CA 3.5Å; Y42-S50 WeakPolarHBondContact O-CB 3.36Å; G48-S50 PolarHBondContact O-N 3.15Å; S50-Y52 WeakPolarHBondContact OG-CE2 3.5Å
51	S	97.6	Very high	96.4	Very high	44 Å²	44	64 Å²	64	31%	0.308	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149.9	170.2	-172.2	0	0	0	0	109.8	G41 Y42	G41-S51 CarbonylContact C-O 3.49Å; G41-S51 WeakPolarHBondContact CA-O 3.28Å; Y42-S51 PolarHBondContact N-O 3.03Å; Y42-S51 PolarHBondContact O-N 2.99Å; Y42-S51 VanDerWaalsContact O-N 3.1Å
52	Y	98.1	Very high	96.4	Very high	60 Å²	60	64.4 Å²	64.4	24%	0.235	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144	-175.6	-63.2	-97.7	0	0	0	109.7	S50 A60 L62	S50-Y52 WeakPolarHBondContact OG-CE2 3.5Å; Y52-A60 HydrophobicContact CE1-CB 4.38Å; Y52-A60 VanDerWaalsContact CE1-O 3.32Å; Y52-A60 WeakPolarHBondContact CE1-O 3.23Å; Y52-L62 HydrophobicContact CE1-CB 4.47Å; Y52-L62 HydrophobicContact CE1-CD1 4.09Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 2.97Å
53	N	96.8	Very high	96.4	Very high	45 Å²	45	64.9 Å²	64.9	24%	0.241	34%	0.338	C	S	.	.			trans	-66	136.8	159.4	-178.9	-26.7	0	0	0	109	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.85Å; W39-N53 HydrophobicContact CZ3-CB 4Å; W39-N53 WeakPolarHBondContact O-CB 3.14Å; W39-N53 PolarHBondContact O-ND2 2.87Å; I40-N53 PolarHBondContact O-N 2.78Å; N53-K55 PolarHBondContact O-N 2.9Å; N53-K55 VanDerWaalsContact O-N 3.11Å; N53-K55 PolarHBondContact OD1-N 2.9Å; N53-K55 VanDerWaalsContact OD1-N 3.14Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.84Å; N53-K57 PolarHBondContact O-N 2.95Å; N53-K57 VanDerWaalsContact O-N 3.14Å
54	Q	95.7	Very high	96.4	Very high	173 Å²	173	66.5 Å²	66.5	81%	0.808	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-33.1	-176.2	-169.2	171.9	1.7	0	0	113	F56 K57	Q54-F56 VanDerWaalsContact C-N 3.26Å; Q54-F56 PolarHBondContact O-N 2.81Å; Q54-K57 PolarHBondContact O-N 2.94Å
55	K	93.1	Very high	96.3	Very high	146 Å²	146	66.8 Å²	66.8	64%	0.635	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-31.9	176.4	-66.2	-171.6	-173.8	-177.9	0	113.9	E38 N53	E38-K55 IonicContact OE1-NZ 3.03Å; E38-K55 PolarHBondContact OE1-NZ 2.82Å; N53-K55 PolarHBondContact O-N 2.9Å; N53-K55 VanDerWaalsContact O-N 3.11Å; N53-K55 PolarHBondContact OD1-N 2.9Å; N53-K55 VanDerWaalsContact OD1-N 3.14Å
56	F	94.9	Very high	96.3	Very high	9 Å²	9	72.1 Å²	72.1	4%	0.039	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-5.3	-174.9	-61.3	-83.6	0	0	0	112.5	K30 E38 I40 N53 Q54 G58 K59 A60	K30-F56 HydrophobicContact CD-CE1 4.13Å; K30-F56 HydrophobicContact CD-CZ 4.12Å; E38-F56 HydrophobicContact CB-CE2 4.45Å; E38-F56 HydrophobicContact CB-CZ 4.43Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.3Å; I40-F56 HydrophobicContact CG1-CD1 4.23Å; I40-F56 HydrophobicContact CG1-CD2 4.2Å; I40-F56 HydrophobicContact CG1-CE1 4.14Å; I40-F56 HydrophobicContact CG1-CE2 4.11Å; I40-F56 HydrophobicContact CG1-CG 4.26Å; I40-F56 HydrophobicContact CG1-CZ 4.08Å; I40-F56 HydrophobicContact CG2-CB 3.84Å; I40-F56 HydrophobicContact CG2-CD1 4.24Å; I40-F56 HydrophobicContact CG2-CD2 4.33Å; I40-F56 HydrophobicContact CG2-CG 3.89Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.84Å; Q54-F56 VanDerWaalsContact C-N 3.26Å; Q54-F56 PolarHBondContact O-N 2.81Å; F56-G58 PolarHBondContact O-N 2.86Å; F56-K59 PolarHBondContact O-N 2.82Å; F56-A60 HydrophobicContact CB-CB 4.28Å; F56-A60 PolarHBondContact O-N 3.21Å
57	K	93.5	Very high	96.2	Very high	160 Å²	160	70.4 Å²	70.4	70%	0.696	39%	0.386	S	S	*	.	B	Isolated β-bridge	trans	-62.4	119.5	176.2	-166.7	174.8	-176.5	179	0	109.2	N53 Q54 K59	N53-K57 PolarHBondContact O-N 2.95Å; N53-K57 VanDerWaalsContact O-N 3.14Å; Q54-K57 PolarHBondContact O-N 2.94Å; K57-K59 VanDerWaalsContact C-N 3.33Å
58	G	92.6	Very high	96.2	Very high	74 Å²	74	67.3 Å²	67.3	76%	0.763	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	-17.5	-175.3	0	0	0	0	0	114.6	F56	F56-G58 PolarHBondContact O-N 2.86Å
59	K	95.1	Very high	96.3	Very high	48 Å²	48	67.7 Å²	67.7	21%	0.209	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-41.6	174.2	-164.9	171.3	-166.6	175	0	112.5	F56 K57 L75 R76 D82	F56-K59 PolarHBondContact O-N 2.82Å; K57-K59 VanDerWaalsContact C-N 3.33Å; K59-L75 WeakPolarHBondContact O-CA 3.4Å; K59-R76 WeakPolarHBondContact CG-O 3.49Å; K59-R76 PolarHBondContact O-N 3.04Å; K59-D82 WeakPolarHBondContact CE-OD1 3.36Å; K59-D82 WeakPolarHBondContact CE-OD2 3.48Å; K59-D82 IonicContact NZ-OD1 3.35Å; K59-D82 PolarHBondContact NZ-OD1 3.1Å; K59-D82 IonicContact NZ-OD2 2.85Å; K59-D82 PolarHBondContact NZ-OD2 3.5Å
60	A	97.1	Very high	96.4	Very high	4 Å²	4	62.7 Å²	62.7	3%	0.033	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	140.1	177.8	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 4.38Å; Y52-A60 VanDerWaalsContact CE1-O 3.32Å; Y52-A60 WeakPolarHBondContact CE1-O 3.23Å; F56-A60 HydrophobicContact CB-CB 4.28Å; F56-A60 PolarHBondContact O-N 3.21Å; A60-M73 HydrophobicContact CB-CG 4.47Å; A60-E74 CarbonylContact C-O 3.54Å; A60-E74 WeakPolarHBondContact CA-O 3.31Å; A60-L75 HydrophobicContact CB-CD2 3.82Å
61	T	97.9	Very high	96.4	Very high	45 Å²	45	60.6 Å²	60.6	28%	0.276	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.4	168.8	-57.6	0	0	0	0	108.9	T63 M73 E74	T61-T63 HydrophobicContact CG2-CG2 4.27Å; T61-M73 WeakPolarHBondContact O-CA 3.05Å; T61-E74 PolarHBondContact N-O 2.78Å; T61-E74 PolarHBondContact O-N 3.46Å
62	L	98.2	Very high	96.4	Very high	9 Å²	9	61.1 Å²	61.1	5%	0.047	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.1	178.4	-53.1	-176.3	0	0	0	110.2	W28 I43 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.48Å; W28-L62 HydrophobicContact CG-CD2 3.96Å; I43-L62 HydrophobicContact CB-CB 4.07Å; I43-L62 HydrophobicContact CB-CD1 4.39Å; I43-L62 HydrophobicContact CD1-CB 4.22Å; I43-L62 HydrophobicContact CG2-CB 4.27Å; Y52-L62 HydrophobicContact CE1-CB 4.47Å; Y52-L62 HydrophobicContact CE1-CD1 4.09Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 2.97Å; L62-Y72 WeakPolarHBondContact CA-O 3.13Å; L62-M73 HydrophobicContact CD2-CB 3.74Å; L62-M73 HydrophobicContact CD2-CG 3.67Å; L62-M73 HydrophobicContact CD2-SD 4.12Å
63	T	97.9	Very high	96.4	Very high	59 Å²	59	58.2 Å²	58.2	36%	0.362	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	162.2	177.3	58.3	0	0	0	0	110.9	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.27Å; T63-Y72 PolarHBondContact N-O 2.97Å; T63-Y72 PolarHBondContact O-N 2.93Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.35Å
64	V	97.9	Very high	96.4	Very high	39 Å²	39	58.8 Å²	58.8	24%	0.236	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	142.3	177.5	-66.7	0	0	0	0	110.4	F21 I43 P45 A71	F21-V64 HydrophobicContact CE1-CB 4.42Å; F21-V64 HydrophobicContact CZ-CB 4.47Å; F21-V64 HydrophobicContact CZ-CG1 4.22Å; I43-V64 HydrophobicContact CB-CG1 4.46Å; I43-V64 HydrophobicContact CD1-CG1 3.86Å; I43-V64 HydrophobicContact CD1-CG2 4.36Å; I43-V64 HydrophobicContact CG1-CG1 3.91Å; I43-V64 HydrophobicContact CG2-CG1 3.71Å; P45-V64 HydrophobicContact CB-CB 4.38Å; P45-V64 HydrophobicContact CB-CG1 4.02Å; P45-V64 HydrophobicContact CG-CG1 4.15Å; V64-A71 HydrophobicContact CG1-CB 4.25Å
65	D	96.9	Very high	96.5	Very high	54 Å²	54	50.6 Å²	50.6	29%	0.289	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	105.4	164.5	175	7.9	0	0	0	108.4	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.14Å; D65-S67 WeakPolarHBondContact OD1-CB 3.37Å; D65-S67 PolarHBondContact OD1-N 3.31Å; D65-S67 PolarHBondContact OD1-OG 2.94Å; D65-S67 PolarHBondContact OD2-OG 3.11Å; D65-S68 PolarHBondContact OD1-N 2.86Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.33Å; D65-S68 PolarHBondContact OD2-OG 3.42Å; D65-S69 PolarHBondContact O-N 2.63Å; D65-S69 VanDerWaalsContact O-N 3.1Å; D65-T70 PolarHBondContact N-O 3.4Å; D65-T70 PolarHBondContact O-N 2.92Å; D65-Y72 HydrophobicContact CB-CE2 3.94Å
66	K	95.6	Very high	96.6	Very high	113 Å²	113	49.1 Å²	49.1	49%	0.491	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-31.3	-179.6	-62.7	175.6	175.1	177.7	0	112.2	T22 P45 Y46 S69	T22-K66 HydrophobicContact CG2-CG 4.4Å; P45-K66 WeakPolarHBondContact O-CE 3.42Å; Y46-K66 WeakPolarHBondContact O-CE 3.45Å; Y46-K66 PolarHBondContact O-NZ 2.99Å; K66-S69 PolarHBondContact O-N 3.38Å
67	S	95.2	Very high	96.5	Very high	110 Å²	110	52.6 Å²	52.6	77%	0.769	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-37.7	-175.8	72.7	0	0	0	0	111.6	D65	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.14Å; D65-S67 WeakPolarHBondContact OD1-CB 3.37Å; D65-S67 PolarHBondContact OD1-N 3.31Å; D65-S67 PolarHBondContact OD1-OG 2.94Å; D65-S67 PolarHBondContact OD2-OG 3.11Å
68	S	96.7	Very high	96.5	Very high	35 Å²	35	45.6 Å²	45.6	25%	0.245	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-0.2	177.4	67.1	0	0	0	0	113.9	D65 T70	D65-S68 PolarHBondContact OD1-N 2.86Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.33Å; D65-S68 PolarHBondContact OD2-OG 3.42Å; S68-T70 PolarHBondContact O-N 3.32Å; S68-T70 PolarHBondContact O-OG1 3.14Å; S68-T70 WeakPolarHBondContact OG-CB 3.45Å; S68-T70 PolarHBondContact OG-OG1 3.45Å
69	S	97.2	Very high	96.6	Very high	39 Å²	39	45.2 Å²	45.2	27%	0.273	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	42.4	-172.1	-62.6	0	0	0	0	112.9	A16 D65 K66	A16-S69 PolarHBondContact N-O 3.1Å; D65-S69 PolarHBondContact O-N 2.63Å; D65-S69 VanDerWaalsContact O-N 3.1Å; K66-S69 PolarHBondContact O-N 3.38Å
70	T	98.1	Very high	96.3	Very high	7 Å²	7	48 Å²	48	4%	0.043	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.2	-174.8	-50.9	0	0	0	0	111	C13 C14 K15 D65 S68 Y72	C13-T70 HydrophobicContact CB-CG2 3.92Å; C14-T70 CarbonylContact O-C 3.53Å; C14-T70 WeakPolarHBondContact O-CA 3.19Å; K15-T70 HydrophobicContact CB-CG2 4.42Å; D65-T70 PolarHBondContact N-O 3.4Å; D65-T70 PolarHBondContact O-N 2.92Å; S68-T70 PolarHBondContact O-N 3.32Å; S68-T70 PolarHBondContact O-OG1 3.14Å; S68-T70 WeakPolarHBondContact OG-CB 3.45Å; S68-T70 PolarHBondContact OG-OG1 3.45Å; T70-Y72 HydrophobicContact CG2-CD1 4.31Å; T70-Y72 HydrophobicContact CG2-CD2 4.32Å; T70-Y72 HydrophobicContact CG2-CE1 3.72Å; T70-Y72 HydrophobicContact CG2-CE2 3.71Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.32Å
71	A	97.9	Very high	96	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	149.3	166.9	0	0	0	0	0	109.9	C13 C14 F21 M26 W28 V64	C13-A71 CarbonylContact C-O 3.5Å; C13-A71 WeakPolarHBondContact CA-O 3.25Å; C14-A71 PolarHBondContact N-O 3.49Å; C14-A71 PolarHBondContact O-N 2.6Å; F21-A71 HydrophobicContact CE2-CB 4.37Å; F21-A71 HydrophobicContact CZ-CB 4.1Å; M26-A71 HydrophobicContact CB-CB 4.15Å; M26-A71 HydrophobicContact CG-CB 3.68Å; W28-A71 HydrophobicContact CZ2-CB 4.2Å; V64-A71 HydrophobicContact CG1-CB 4.25Å
72	Y	98.1	Very high	95.7	Very high	54 Å²	54	53 Å²	53	21%	0.212	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.4	177.1	-54.9	-91.7	0	0	0	111.3	K11 I12 C13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.3Å; K11-Y72 VanDerWaalsContact CE-CG 3.47Å; K11-Y72 HydrophobicContact CG-CD1 4.26Å; I12-Y72 CarbonylContact O-C 3.5Å; I12-Y72 WeakPolarHBondContact O-CA 3.39Å; C13-Y72 HydrophobicContact CB-CD1 3.39Å; C13-Y72 HydrophobicContact CB-CE1 3.39Å; C13-Y72 HydrophobicContact CB-CG 4.46Å; L62-Y72 WeakPolarHBondContact CA-O 3.13Å; T63-Y72 PolarHBondContact N-O 2.97Å; T63-Y72 PolarHBondContact O-N 2.93Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.35Å; D65-Y72 HydrophobicContact CB-CE2 3.94Å; T70-Y72 HydrophobicContact CG2-CD1 4.31Å; T70-Y72 HydrophobicContact CG2-CD2 4.32Å; T70-Y72 HydrophobicContact CG2-CE1 3.72Å; T70-Y72 HydrophobicContact CG2-CE2 3.71Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.32Å
73	M	97.9	Very high	95.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119.4	166.5	176.9	173	69.1	0	0	108.8	K11 I12 W28 I40 A60 T61 L62 L75 Y86	K11-M73 WeakPolarHBondContact CA-O 3.46Å; I12-M73 HydrophobicContact CD1-CE 3.81Å; I12-M73 PolarHBondContact N-O 3.32Å; I12-M73 PolarHBondContact O-N 3.11Å; W28-M73 HydrophobicContact CB-SD 3.84Å; W28-M73 HydrophobicContact CD2-CB 3.62Å; W28-M73 HydrophobicContact CD2-CE 4.23Å; W28-M73 HydrophobicContact CD2-CG 4.4Å; W28-M73 HydrophobicContact CD2-SD 4Å; W28-M73 HydrophobicContact CE3-CB 3.74Å; W28-M73 HydrophobicContact CE3-CE 3.61Å; W28-M73 HydrophobicContact CE3-CG 4.5Å; W28-M73 HydrophobicContact CE3-SD 4.01Å; W28-M73 HydrophobicContact CG-CB 4.24Å; W28-M73 HydrophobicContact CG-SD 3.96Å; W28-M73 HydrophobicContact CH2-CB 3.92Å; W28-M73 HydrophobicContact CZ2-CB 3.82Å; W28-M73 HydrophobicContact CZ3-CB 3.89Å; W28-M73 HydrophobicContact CZ3-CE 4.16Å; I40-M73 HydrophobicContact CD1-CE 3.81Å; I40-M73 HydrophobicContact CD1-SD 3.58Å; I40-M73 VanDerWaalsContact CD1-SD 3.58Å; I40-M73 HydrophobicContact CG2-SD 3.92Å; A60-M73 HydrophobicContact CB-CG 4.47Å; T61-M73 WeakPolarHBondContact O-CA 3.05Å; L62-M73 HydrophobicContact CD2-CB 3.74Å; L62-M73 HydrophobicContact CD2-CG 3.67Å; L62-M73 HydrophobicContact CD2-SD 4.12Å; M73-L75 HydrophobicContact CE-CD1 4.01Å; M73-L75 HydrophobicContact CE-CG 4.18Å; M73-L75 HydrophobicContact CG-CD2 4.43Å; M73-L75 HydrophobicContact CG-CG 4.28Å; M73-L75 HydrophobicContact SD-CD2 4.23Å; M73-L75 HydrophobicContact SD-CG 4.38Å; M73-Y86 HydrophobicContact CE-CD1 3.63Å; M73-Y86 HydrophobicContact CE-CE1 4.24Å; M73-Y86 HydrophobicContact CE-CG 4.24Å
74	E	97.4	Very high	95.2	Very high	57 Å²	57	56 Å²	56	27%	0.266	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	121.3	168.7	-174.6	-176.5	-142.9	0	0	109	V10 A60 T61 R76	V10-E74 CarbonylContact O-C 3.56Å; V10-E74 VanDerWaalsContact O-CA 3.32Å; V10-E74 WeakPolarHBondContact O-CA 3.03Å; A60-E74 CarbonylContact C-O 3.54Å; A60-E74 WeakPolarHBondContact CA-O 3.31Å; T61-E74 PolarHBondContact N-O 2.78Å; T61-E74 PolarHBondContact O-N 3.46Å; E74-R76 HydrophobicContact CG-CG 4.27Å; E74-R76 IonicContact OE2-CZ 3.63Å; E74-R76 IonicContact OE2-NE 2.79Å; E74-R76 PolarHBondContact OE2-NE 3.34Å; E74-R76 IonicContact OE2-NH2 2.78Å; E74-R76 PolarHBondContact OE2-NH2 3Å
75	L	96.3	Very high	95	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.2	170.8	-67.7	169.7	0	0	0	108.7	S9 V10 I12 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.57Å; S9-L75 WeakPolarHBondContact CA-O 3.15Å; S9-L75 WeakPolarHBondContact CB-O 3.39Å; V10-L75 HydrophobicContact CG1-CB 4.07Å; V10-L75 HydrophobicContact CG1-CD1 4.41Å; V10-L75 PolarHBondContact N-O 3.2Å; V10-L75 PolarHBondContact O-N 2.99Å; I12-L75 HydrophobicContact CD1-CD1 4.46Å; K59-L75 WeakPolarHBondContact O-CA 3.4Å; A60-L75 HydrophobicContact CB-CD2 3.82Å; M73-L75 HydrophobicContact CE-CD1 4.01Å; M73-L75 HydrophobicContact CE-CG 4.18Å; M73-L75 HydrophobicContact CG-CD2 4.43Å; M73-L75 HydrophobicContact CG-CG 4.28Å; M73-L75 HydrophobicContact SD-CD2 4.23Å; M73-L75 HydrophobicContact SD-CG 4.38Å; L75-L78 HydrophobicContact CB-CD2 3.68Å; L75-L78 HydrophobicContact CD1-CD2 4.28Å; L75-Y86 HydrophobicContact CD1-CD1 4.24Å; L75-Y86 HydrophobicContact CD1-CE1 3.59Å; L75-Y86 HydrophobicContact CD1-CE2 4.33Å
76	R	95.4	Very high	94.9	Very high	114 Å²	114	61 Å²	61	43%	0.43	34%	0.339	S	S	.	.			trans	-111.3	156	-177.5	-58.8	-177.5	179.6	177.8	-0.2	111.5	K59 E74 L78	K59-R76 WeakPolarHBondContact CG-O 3.49Å; K59-R76 PolarHBondContact O-N 3.04Å; E74-R76 HydrophobicContact CG-CG 4.27Å; E74-R76 IonicContact OE2-CZ 3.63Å; E74-R76 IonicContact OE2-NE 2.79Å; E74-R76 PolarHBondContact OE2-NE 3.34Å; E74-R76 IonicContact OE2-NH2 2.78Å; E74-R76 PolarHBondContact OE2-NH2 3Å; R76-L78 VanDerWaalsContact C-N 3.35Å; R76-L78 PolarHBondContact O-N 2.93Å
77	S	94.1	Very high	94.9	Very high	83 Å²	83	58.4 Å²	58.4	58%	0.58	33%	0.332	S	S	*	.	S	Bend	trans	52	52.3	174.4	-54.6	0	0	0	0	112.1	A8	A8-S77 PolarHBondContact O-N 3.22Å
78	L	93.7	Very high	94.9	Very high	13 Å²	13	55.6 Å²	55.6	7%	0.068	31%	0.309	C	S	.	.			trans	-62	139.7	-173.1	-67.9	170.9	0	0	0	112.2	V4 G7 A8 V10 L75 R76 D82	V4-L78 HydrophobicContact CB-CD1 4.24Å; V4-L78 HydrophobicContact CG2-CD1 3.47Å; V4-L78 VanDerWaalsContact CG2-CD1 3.47Å; G7-L78 PolarHBondContact N-O 2.95Å; A8-L78 WeakPolarHBondContact O-CB 3.49Å; A8-L78 VanDerWaalsContact O-CG 3.28Å; A8-L78 WeakPolarHBondContact O-CG 3.42Å; A8-L78 PolarHBondContact O-N 3.33Å; V10-L78 HydrophobicContact CB-CD1 3.97Å; V10-L78 HydrophobicContact CG1-CD1 3.73Å; V10-L78 HydrophobicContact CG1-CD2 4.39Å; L75-L78 HydrophobicContact CB-CD2 3.68Å; L75-L78 HydrophobicContact CD1-CD2 4.28Å; R76-L78 VanDerWaalsContact C-N 3.35Å; R76-L78 PolarHBondContact O-N 2.93Å; L78-D82 WeakPolarHBondContact CA-OD2 3.4Å; L78-D82 HydrophobicContact CD2-CB 3.74Å
79	T	92.9	Very high	94.8	Very high	65 Å²	65	56.8 Å²	56.8	40%	0.399	31%	0.312	S	S	.	.			trans	-119.6	172	174.6	67.7	0	0	0	0	110.2	E81 D82	T79-E81 PolarHBondContact O-N 3.11Å; T79-E81 VanDerWaalsContact O-N 3.15Å; T79-D82 PolarHBondContact N-OD2 3.45Å; T79-D82 WeakPolarHBondContact O-CB 3.38Å; T79-D82 PolarHBondContact O-N 2.78Å; T79-D82 PolarHBondContact OG1-OD2 3.16Å
80	S	90.4	Very high	94.6	Very high	106 Å²	106	57.8 Å²	57.8	74%	0.741	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-57.3	-28	175.3	53.3	0	0	0	0	112.9	D82 S83	S80-D82 PolarHBondContact O-N 2.92Å; S80-S83 WeakPolarHBondContact O-CB 3.4Å; S80-S83 PolarHBondContact O-N 3Å
81	E	89.3	Confident	94.4	Very high	143 Å²	143	61 Å²	61	67%	0.668	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-67.4	-22.2	177.4	-60.8	-174	165.1	0	0	112.6	K30 T79 S83	K30-E81 WeakPolarHBondContact CE-O 2.9Å; K30-E81 PolarHBondContact NZ-O 2.94Å; T79-E81 PolarHBondContact O-N 3.11Å; T79-E81 VanDerWaalsContact O-N 3.15Å; E81-S83 VanDerWaalsContact C-N 3.26Å; E81-S83 PolarHBondContact O-N 3.36Å
82	D	91.8	Very high	94.2	Very high	12 Å²	12	65.1 Å²	65.1	6%	0.064	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-82.2	0.7	176.8	-55.7	-50.4	0	0	0	113.5	K30 K59 L78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 2.57Å; K59-D82 WeakPolarHBondContact CE-OD1 3.36Å; K59-D82 WeakPolarHBondContact CE-OD2 3.48Å; K59-D82 IonicContact NZ-OD1 3.35Å; K59-D82 PolarHBondContact NZ-OD1 3.1Å; K59-D82 IonicContact NZ-OD2 2.85Å; K59-D82 PolarHBondContact NZ-OD2 3.5Å; L78-D82 WeakPolarHBondContact CA-OD2 3.4Å; L78-D82 HydrophobicContact CD2-CB 3.74Å; T79-D82 PolarHBondContact N-OD2 3.45Å; T79-D82 WeakPolarHBondContact O-CB 3.38Å; T79-D82 PolarHBondContact O-N 2.78Å; T79-D82 PolarHBondContact OG1-OD2 3.16Å; S80-D82 PolarHBondContact O-N 2.92Å; D82-A84 PolarHBondContact O-N 2.84Å; D82-Y86 WeakPolarHBondContact CA-OH 3.12Å; D82-Y86 WeakPolarHBondContact CB-OH 3.36Å; D82-Y86 VanDerWaalsContact O-CE2 3.25Å; D82-Y86 WeakPolarHBondContact O-CE2 3.19Å; D82-Y86 PolarHBondContact O-OH 2.73Å
83	S	92.6	Very high	93.9	Very high	99 Å²	99	65.9 Å²	65.9	69%	0.692	36%	0.364	S	S	*	.			trans	-71.5	104.6	171.9	-168	0	0	0	0	110	S80 E81	S80-S83 WeakPolarHBondContact O-CB 3.4Å; S80-S83 PolarHBondContact O-N 3Å; E81-S83 VanDerWaalsContact C-N 3.26Å; E81-S83 PolarHBondContact O-N 3.36Å
84	A	93.9	Very high	93.6	Very high	31 Å²	31	70.9 Å²	70.9	26%	0.256	39%	0.392	S	S	.	.	S	Bend	trans	-160.9	171	-173.4	0	0	0	0	0	111.8	K30 Q31 D82 Y86	K30-A84 HydrophobicContact CD-CB 4.07Å; K30-A84 HydrophobicContact CG-CB 3.42Å; K30-A84 VanDerWaalsContact CG-CB 3.42Å; Q31-A84 WeakPolarHBondContact O-CA 2.85Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.4Å; D82-A84 PolarHBondContact O-N 2.84Å; A84-Y86 HydrophobicContact CB-CD2 4.33Å; A84-Y86 HydrophobicContact CB-CE2 3.79Å; A84-Y86 WeakPolarHBondContact O-CD2 3.24Å
85	I	94.6	Very high	93.2	Very high	122 Å²	122	72.1 Å²	72.1	63%	0.626	40%	0.402	S	S	*	.	B	Isolated β-bridge	trans	-85.8	139.1	162.5	-58.5	174.2	0	0	0	107.5	K30 Q31	K30-I85 CarbonylContact C-O 3.57Å; K30-I85 WeakPolarHBondContact CA-O 3.37Å; Q31-I85 HydrophobicContact CB-CB 4.48Å; Q31-I85 PolarHBondContact N-O 3.26Å; Q31-I85 PolarHBondContact O-N 3.5Å
86	Y	94	Very high	93	Very high	76 Å²	76	78.5 Å²	78.5	30%	0.298	44%	0.438	S	S	.	.			trans	-126.6	0	-175.4	-71.4	-85.6	0	0	0	111.2	I12 V29 K30 I40 M73 L75 D82 A84	I12-Y86 HydrophobicContact CD1-CD1 4.49Å; I12-Y86 HydrophobicContact CD1-CD2 4.13Å; I12-Y86 HydrophobicContact CD1-CG 3.89Å; V29-Y86 WeakPolarHBondContact O-CA 3.28Å; V29-Y86 VanDerWaalsContact O-OXT 3.09Å; K30-Y86 HydrophobicContact CB-CD1 4.05Å; K30-Y86 HydrophobicContact CB-CE1 3.82Å; K30-Y86 HydrophobicContact CD-CE1 3.82Å; K30-Y86 WeakPolarHBondContact CE-OH 3.3Å; K30-Y86 HydrophobicContact CG-CD1 4.14Å; K30-Y86 HydrophobicContact CG-CE1 3.6Å; I40-Y86 HydrophobicContact CD1-CD1 3.79Å; I40-Y86 HydrophobicContact CD1-CE1 3.88Å; M73-Y86 HydrophobicContact CE-CD1 3.63Å; M73-Y86 HydrophobicContact CE-CE1 4.24Å; M73-Y86 HydrophobicContact CE-CG 4.24Å; L75-Y86 HydrophobicContact CD1-CD1 4.24Å; L75-Y86 HydrophobicContact CD1-CE1 3.59Å; L75-Y86 HydrophobicContact CD1-CE2 4.33Å; D82-Y86 WeakPolarHBondContact CA-OH 3.12Å; D82-Y86 WeakPolarHBondContact CB-OH 3.36Å; D82-Y86 VanDerWaalsContact O-CE2 3.25Å; D82-Y86 WeakPolarHBondContact O-CE2 3.19Å; D82-Y86 PolarHBondContact O-OH 2.73Å; A84-Y86 HydrophobicContact CB-CD2 4.33Å; A84-Y86 HydrophobicContact CB-CE2 3.79Å; A84-Y86 WeakPolarHBondContact O-CD2 3.24Å

Retrieved 86 of 86 residues in 18.5 ms (Link to these results)

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