X5J4N9_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4N9, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 115 aa.

						>X5J4N9_MOUSE|X5J4N9
AELVKPGASVKMSCKASGYTFTTYPIEWMKQNHGKSLEWIGNFHPYNDDTKYNEKFKGKATLTVEKSSSTVYLELSRLTSDDSAVYYCARGRDYGSSPDWYFDVWGTGTTVTVSS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	A	81.1	Confident	94.6	Very high	116 Å²	116	74.2 Å²	74.2	96%	0.959	45%	0.451	S	S	*	.				0	141.4	0	0	0	0	0	0	107.9	T110	A1-T110 CarbonylContact C-O 3.51Å; A1-T110 WeakPolarHBondContact CA-O 2.9Å
2	E	90.1	Very high	94.8	Very high	71 Å²	71	68.6 Å²	68.6	33%	0.332	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125.2	-174.3	-157.8	172.5	151.1	0	0	110.1	V4 V10 T110 V111 T112	E2-V4 HydrophobicContact CG-CG1 3.87Å; E2-V10 HydrophobicContact CG-CG2 4.46Å; E2-V10 VanDerWaalsContact OE1-CG2 3.24Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.28Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.32Å; E2-T110 PolarHBondContact N-O 3Å; E2-V111 CarbonylContact O-C 3.37Å; E2-V111 WeakPolarHBondContact O-CA 3.36Å; E2-T112 PolarHBondContact O-N 3.38Å
3	L	95	Very high	94.9	Very high	124 Å²	124	69.4 Å²	69.4	65%	0.649	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	119.5	176.5	-178.4	65.9	0	0	0	108.4	T112 S114	L3-T112 WeakPolarHBondContact CA-O 3.41Å; L3-T112 HydrophobicContact CD1-CG2 3.83Å; L3-S114 WeakPolarHBondContact CD1-OG 3.29Å
4	V	96.1	Very high	95	Very high	17 Å²	17	65.7 Å²	65.7	10%	0.103	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	153.3	-173.7	-61.1	0	0	0	0	111.1	E2 A8 L78 V111 T112 V113 S114	E2-V4 HydrophobicContact CG-CG1 3.87Å; V4-A8 HydrophobicContact CB-CB 4.36Å; V4-L78 HydrophobicContact CB-CD1 4.42Å; V4-L78 HydrophobicContact CG2-CD1 3.46Å; V4-L78 VanDerWaalsContact CG2-CD1 3.46Å; V4-V111 HydrophobicContact CG2-CG1 4.15Å; V4-T112 PolarHBondContact N-O 3.2Å; V4-V113 HydrophobicContact CG2-CB 4.38Å; V4-V113 HydrophobicContact CG2-CG1 4.45Å; V4-V113 HydrophobicContact CG2-CG2 3.82Å; V4-V113 VanDerWaalsContact O-CA 3.31Å; V4-V113 WeakPolarHBondContact O-CA 3.43Å; V4-S114 PolarHBondContact O-N 2.83Å
5	K	96.3	Very high	95	Very high	144 Å²	144	71.2 Å²	71.2	63%	0.626	42%	0.421	S	S	*	.			trans	-81.1	151.6	176.3	-67.5	-176.1	177.3	-177.4	0	110.9	G7 A8	K5-G7 PolarHBondContact O-N 2.9Å; K5-A8 WeakPolarHBondContact O-CB 3.31Å; K5-A8 PolarHBondContact O-N 3.02Å; K5-A8 VanDerWaalsContact O-N 3.14Å
6	P	97.3	Very high	94.8	Very high	76 Å²	76	67.6 Å²	67.6	49%	0.494	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	139	169.4	-25.2	33.8	0	0	0	111.9	A8 L78 V113	P6-A8 VanDerWaalsContact C-N 3.29Å; P6-A8 PolarHBondContact O-N 3.02Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.48Å; P6-V113 HydrophobicContact CB-CG1 4.4Å; P6-V113 HydrophobicContact CG-CG1 4.15Å
7	G	96.1	Very high	94.6	Very high	53 Å²	53	69.4 Å²	69.4	55%	0.546	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	-14.2	-177	0	0	0	0	0	115.1	K5 L78	K5-G7 PolarHBondContact O-N 2.9Å; G7-L78 PolarHBondContact N-O 2.95Å
8	A	96.9	Very high	94.3	Very high	36 Å²	36	70.5 Å²	70.5	30%	0.298	45%	0.446	S	S	.	.			trans	-69.3	169.9	176.1	0	0	0	0	0	112.3	V4 K5 P6 R77 L78	V4-A8 HydrophobicContact CB-CB 4.36Å; K5-A8 WeakPolarHBondContact O-CB 3.31Å; K5-A8 PolarHBondContact O-N 3.02Å; K5-A8 VanDerWaalsContact O-N 3.14Å; P6-A8 VanDerWaalsContact C-N 3.29Å; P6-A8 PolarHBondContact O-N 3.02Å; A8-R77 PolarHBondContact O-N 3Å; A8-L78 WeakPolarHBondContact O-CB 3.21Å; A8-L78 WeakPolarHBondContact O-CG 3.31Å; A8-L78 PolarHBondContact O-N 2.8Å
9	S	97.3	Very high	93.9	Very high	63 Å²	63	69.7 Å²	69.7	44%	0.441	43%	0.434	S	S	.	.			trans	-114.3	150.5	169.6	-58	0	0	0	0	110	L75 S76	S9-L75 CarbonylContact C-O 3.59Å; S9-L75 WeakPolarHBondContact CA-O 3.4Å; S9-L75 WeakPolarHBondContact CB-O 3.38Å; S9-S76 WeakPolarHBondContact OG-CA 3.26Å
10	V	97.1	Very high	93.8	Very high	3 Å²	3	70.8 Å²	70.8	2%	0.018	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.9	173.5	60.2	0	0	0	0	109.7	E2 M12 E74 L75 L78 V111	E2-V10 HydrophobicContact CG-CG2 4.46Å; E2-V10 VanDerWaalsContact OE1-CG2 3.24Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.28Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.32Å; V10-M12 HydrophobicContact CG2-CG 4.03Å; V10-E74 CarbonylContact O-C 3.56Å; V10-E74 VanDerWaalsContact O-CA 3.28Å; V10-E74 WeakPolarHBondContact O-CA 3.45Å; V10-L75 HydrophobicContact CG1-CB 3.86Å; V10-L75 HydrophobicContact CG1-CD1 4.15Å; V10-L75 HydrophobicContact CG1-CG 4.43Å; V10-L75 PolarHBondContact N-O 2.78Å; V10-L75 PolarHBondContact O-N 3.17Å; V10-L78 HydrophobicContact CB-CD1 4.09Å; V10-L78 HydrophobicContact CG1-CD1 3.73Å; V10-L78 HydrophobicContact CG1-CD2 4.34Å; V10-V111 HydrophobicContact CG1-CG1 4.46Å; V10-V111 HydrophobicContact CG2-CG2 4.45Å
11	K	97.3	Very high	93.6	Very high	113 Å²	113	68 Å²	68	49%	0.491	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121	172.2	-174.3	173.8	-179.1	173	0	110.7	Y72 L73 E74	K11-Y72 HydrophobicContact CG-CD1 4.45Å; K11-L73 WeakPolarHBondContact CA-O 3.34Å; K11-E74 HydrophobicContact CB-CB 4.49Å; K11-E74 HydrophobicContact CB-CG 4.44Å; K11-E74 HydrophobicContact CG-CB 4.4Å
12	M	96.9	Very high	94.1	Very high	7 Å²	7	65.1 Å²	65.1	3%	0.034	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	144	-175.4	-43.8	-178.7	67.9	0	0	108.9	V10 W28 Y72 L73 Y86 T109 V111	V10-M12 HydrophobicContact CG2-CG 4.03Å; M12-W28 HydrophobicContact CB-CH2 3.85Å; M12-W28 HydrophobicContact CB-CZ3 4.14Å; M12-W28 HydrophobicContact CE-CZ3 4.47Å; M12-W28 HydrophobicContact SD-CZ3 4.48Å; M12-Y72 CarbonylContact O-C 3.43Å; M12-Y72 WeakPolarHBondContact O-CA 3.44Å; M12-Y72 WeakPolarHBondContact O-CB 3.49Å; M12-L73 HydrophobicContact CB-CB 4.47Å; M12-L73 PolarHBondContact N-O 2.87Å; M12-L73 PolarHBondContact O-N 3.04Å; M12-L73 HydrophobicContact SD-CD2 4.08Å; M12-Y86 HydrophobicContact CE-CD2 4.23Å; M12-Y86 HydrophobicContact CE-CG 3.96Å; M12-Y86 HydrophobicContact SD-CD1 4.28Å; M12-Y86 HydrophobicContact SD-CD2 4.2Å; M12-Y86 HydrophobicContact SD-CG 3.81Å; M12-T109 HydrophobicContact CE-CG2 3.59Å; M12-V111 HydrophobicContact CE-CG2 4.11Å; M12-V111 HydrophobicContact SD-CG2 4.27Å
13	S	96.5	Very high	94	Very high	79 Å²	79	65.1 Å²	65.1	55%	0.552	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	149.5	176.3	64.7	0	0	0	0	111.6	V71 Y72	S13-V71 CarbonylContact C-O 3.45Å; S13-Y72 VanDerWaalsContact CB-CD1 3.49Å; S13-Y72 VanDerWaalsContact CB-CE1 3.44Å
14	C	95.6	Very high	93.8	Very high	18 Å²	18	62 Å²	62	12%	0.122	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	110	171.8	177	0	0	0	0	109	W28 T70 V71 C88	C14-W28 HydrophobicContact CB-CH2 3.9Å; C14-W28 HydrophobicContact CB-CZ2 3.68Å; C14-T70 CarbonylContact O-C 3.59Å; C14-T70 WeakPolarHBondContact O-CA 3.48Å; C14-V71 HydrophobicContact CB-CG2 3.79Å; C14-V71 PolarHBondContact N-O 2.93Å; C14-V71 PolarHBondContact O-N 3.34Å; C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.46Å; C14-C88 WeakPolarHBondContact SG-CB 3.4Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.87Å
15	K	95.3	Very high	93.6	Very high	148 Å²	148	61.5 Å²	61.5	64%	0.643	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	118.4	178.5	-174.7	175	-178.2	177.8	0	109.9	S68	K15-S68 WeakPolarHBondContact CE-O 2.98Å
16	A	92.5	Very high	93.6	Very high	13 Å²	13	54.7 Å²	54.7	11%	0.107	35%	0.345	C	S	.	.			trans	-72.9	143.4	173.8	0	0	0	0	0	110.9	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 4.12Å; A16-Y19 HydrophobicContact CB-CE2 4.36Å; A16-Y19 VanDerWaalsContact CB-OH 3.32Å; A16-Y19 WeakPolarHBondContact CB-OH 3.42Å; A16-F21 HydrophobicContact CB-CD2 3.41Å; A16-F21 VanDerWaalsContact CB-CD2 3.41Å; A16-F21 HydrophobicContact CB-CE2 3.89Å; A16-F21 HydrophobicContact CB-CG 4.45Å; A16-S69 PolarHBondContact N-O 2.91Å
17	S	91.1	Very high	93.5	Very high	99 Å²	99	51.2 Å²	51.2	69%	0.692	32%	0.322	S	S	*	.			trans	-149.7	154.9	175.5	63.5	0	0	0	0	110.9	Y19	S17-Y19 VanDerWaalsContact O-CD1 3.24Å; S17-Y19 WeakPolarHBondContact O-CD1 3.07Å; S17-Y19 PolarHBondContact O-N 3.04Å
18	G	89.7	Confident	93.6	Very high	89 Å²	89	49 Å²	49	92%	0.918	30%	0.297	S	S	*	.	S	Bend	trans	81.1	6.8	177.3	0	0	0	0	0	115.8
19	Y	86.6	Confident	93.6	Very high	55 Å²	55	47.8 Å²	47.8	22%	0.216	29%	0.285	C	S	.	.	S	Bend	trans	-156.5	167.5	173.6	62.3	-83.4	0	0	0	111.4	A16 S17 F21 Y24 I26	A16-Y19 HydrophobicContact CB-CE1 4.12Å; A16-Y19 HydrophobicContact CB-CE2 4.36Å; A16-Y19 VanDerWaalsContact CB-OH 3.32Å; A16-Y19 WeakPolarHBondContact CB-OH 3.42Å; S17-Y19 VanDerWaalsContact O-CD1 3.24Å; S17-Y19 WeakPolarHBondContact O-CD1 3.07Å; S17-Y19 PolarHBondContact O-N 3.04Å; Y19-F21 PolarHBondContact O-N 2.78Å; Y19-Y24 AromaticContact CD2-CD2 3.74Å; Y19-Y24 HydrophobicContact CD2-CD2 3.74Å; Y19-Y24 HydrophobicContact CD2-CE2 4.35Å; Y19-Y24 HydrophobicContact CE2-CD2 4.06Å; Y19-I26 WeakPolarHBondContact OH-CD1 3.46Å
20	T	91.1	Very high	93.5	Very high	92 Å²	92	45.3 Å²	45.3	56%	0.564	27%	0.267	S	S	*	.			trans	-67.6	110.9	172.8	-59.3	0	0	0	0	109.8	T22 T23	T20-T22 PolarHBondContact O-N 3.04Å; T20-T23 WeakPolarHBondContact CB-OG1 3.49Å; T20-T23 WeakPolarHBondContact O-CB 3.4Å; T20-T23 PolarHBondContact O-N 3.24Å; T20-T23 PolarHBondContact O-OG1 2.94Å
21	F	89.8	Confident	93.5	Very high	12 Å²	12	48.4 Å²	48.4	5%	0.053	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-53.1	-33.6	-171.8	178.2	-123.4	0	0	0	114.5	A16 Y19 T23 I26 P45 V64 K66 S69 V71	A16-F21 HydrophobicContact CB-CD2 3.41Å; A16-F21 VanDerWaalsContact CB-CD2 3.41Å; A16-F21 HydrophobicContact CB-CE2 3.89Å; A16-F21 HydrophobicContact CB-CG 4.45Å; Y19-F21 PolarHBondContact O-N 2.78Å; F21-T23 VanDerWaalsContact C-N 3.31Å; F21-T23 PolarHBondContact O-N 3.05Å; F21-I26 HydrophobicContact CE2-CD1 4.45Å; F21-I26 HydrophobicContact CE2-CG1 4.03Å; F21-P45 HydrophobicContact CD1-CB 4.04Å; F21-P45 HydrophobicContact CD1-CG 4.19Å; F21-P45 HydrophobicContact CD2-CG 4.4Å; F21-P45 HydrophobicContact CE1-CB 3.78Å; F21-P45 HydrophobicContact CE1-CG 3.81Å; F21-P45 HydrophobicContact CE2-CG 4.07Å; F21-P45 HydrophobicContact CG-CG 4.49Å; F21-P45 HydrophobicContact CZ-CB 4.25Å; F21-P45 HydrophobicContact CZ-CG 3.76Å; F21-V64 HydrophobicContact CE1-CG2 3.64Å; F21-V64 HydrophobicContact CZ-CG2 3.69Å; F21-K66 HydrophobicContact CE1-CG 4.44Å; F21-S69 WeakPolarHBondContact CB-OG 3.18Å; F21-S69 WeakPolarHBondContact CE2-O 3.21Å; F21-V71 HydrophobicContact CE2-CG1 4.06Å; F21-V71 HydrophobicContact CZ-CG1 3.7Å
22	T	90.7	Very high	93.2	Very high	55 Å²	55	44 Å²	44	34%	0.337	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-77.7	-11.3	-178.2	53.5	0	0	0	0	114.5	T20 P45 Y46	T20-T22 PolarHBondContact O-N 3.04Å; T22-P45 HydrophobicContact CG2-CB 4.3Å; T22-Y46 WeakPolarHBondContact O-CB 3.33Å
23	T	89.8	Confident	92.5	Very high	71 Å²	71	50.2 Å²	50.2	44%	0.436	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-75.8	-26.9	-172.7	-55.7	0	0	0	0	113.7	T20 F21	T20-T23 WeakPolarHBondContact CB-OG1 3.49Å; T20-T23 WeakPolarHBondContact O-CB 3.4Å; T20-T23 PolarHBondContact O-N 3.24Å; T20-T23 PolarHBondContact O-OG1 2.94Å; F21-T23 VanDerWaalsContact C-N 3.31Å; F21-T23 PolarHBondContact O-N 3.05Å
24	Y	90.6	Very high	91.5	Very high	58 Å²	58	50.8 Å²	50.8	23%	0.227	31%	0.31	C	S	.	.	S	Bend	trans	-134.2	144.4	-172	-59.2	-73.9	0	0	0	110.8	Y19 P45 R90 R92	Y19-Y24 AromaticContact CD2-CD2 3.74Å; Y19-Y24 HydrophobicContact CD2-CD2 3.74Å; Y19-Y24 HydrophobicContact CD2-CE2 4.35Å; Y19-Y24 HydrophobicContact CE2-CD2 4.06Å; Y24-P45 WeakPolarHBondContact O-CD 3.24Å; Y24-R90 HydrophobicContact CD2-CG 4.34Å; Y24-R90 HydrophobicContact CG-CG 3.99Å; Y24-R92 HydrophobicContact CD1-CG 4.39Å; Y24-R92 HydrophobicContact CE1-CG 4.04Å
25	P	92.3	Very high	90.6	Very high	7 Å²	7	56.7 Å²	56.7	5%	0.045	33%	0.334	C	S	.	.			trans	-69	152.1	169.4	27.1	-30	0	0	0	111.5	F43 H44 G91 W100	P25-F43 VanDerWaalsContact CA-O 3.31Å; P25-F43 WeakPolarHBondContact CA-O 3.15Å; P25-H44 HydrophobicContact CB-CB 4.05Å; P25-G91 WeakPolarHBondContact CD-O 3.31Å; P25-G91 PolarHBondContact O-N 3.43Å; P25-W100 HydrophobicContact CG-CH2 3.37Å; P25-W100 HydrophobicContact CG-CZ2 3.55Å
26	I	94.9	Very high	90.2	Very high	2 Å²	2	54 Å²	54	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128	173.1	-46.1	-60.2	0	0	0	108.7	Y19 F21 N42 F43 V71 C88 A89	Y19-I26 WeakPolarHBondContact OH-CD1 3.46Å; F21-I26 HydrophobicContact CE2-CD1 4.45Å; F21-I26 HydrophobicContact CE2-CG1 4.03Å; I26-N42 VanDerWaalsContact O-CA 3.22Å; I26-N42 WeakPolarHBondContact O-CA 3.38Å; I26-N42 WeakPolarHBondContact O-CB 3.18Å; I26-F43 PolarHBondContact N-O 2.96Å; I26-F43 PolarHBondContact O-N 2.79Å; I26-V71 HydrophobicContact CB-CG1 4.09Å; I26-V71 HydrophobicContact CB-CG2 3.87Å; I26-V71 HydrophobicContact CG1-CG1 3.97Å; I26-V71 HydrophobicContact CG1-CG2 4.3Å; I26-V71 HydrophobicContact CG2-CG2 3.49Å; I26-V71 VanDerWaalsContact CG2-CG2 3.49Å; I26-C88 HydrophobicContact CG2-CB 4.16Å; I26-A89 WeakPolarHBondContact CA-O 3.43Å
27	E	95.8	Very high	90.2	Very high	3 Å²	3	57 Å²	57	1%	0.014	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.6	-168.5	-61.4	-76.6	165.5	0	0	108.2	W39 N42 C88 A89 W100 F102	E27-W39 PolarHBondContact OE2-NE1 2.8Å; E27-N42 HydrophobicContact CG-CB 4.3Å; E27-N42 VanDerWaalsContact OE1-CB 3.31Å; E27-N42 WeakPolarHBondContact OE1-CB 3.49Å; E27-N42 PolarHBondContact OE1-ND2 3.08Å; E27-N42 VanDerWaalsContact OE2-CB 3.26Å; E27-N42 WeakPolarHBondContact OE2-CB 3.37Å; E27-C88 CarbonylContact O-C 3.52Å; E27-C88 WeakPolarHBondContact O-CA 3.35Å; E27-A89 HydrophobicContact CB-CB 4.39Å; E27-A89 WeakPolarHBondContact CB-O 3.47Å; E27-A89 PolarHBondContact N-O 2.8Å; E27-A89 PolarHBondContact O-N 2.89Å; E27-W100 WeakPolarHBondContact OE1-CZ2 3.39Å; E27-F102 HydrophobicContact CB-CD1 4.18Å; E27-F102 HydrophobicContact CB-CE1 3.77Å; E27-F102 HydrophobicContact CB-CZ 4.49Å; E27-F102 HydrophobicContact CG-CD1 3.93Å; E27-F102 HydrophobicContact CG-CE1 3.48Å; E27-F102 VanDerWaalsContact CG-CE1 3.48Å; E27-F102 HydrophobicContact CG-CZ 4.5Å
28	W	97.4	Very high	90.4	Very high	6 Å²	6	54.2 Å²	54.2	2%	0.023	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.3	174	-78.5	96.2	0	0	0	110.6	M12 C14 I40 G41 L62 V71 L73 Y87 C88	M12-W28 HydrophobicContact CB-CH2 3.85Å; M12-W28 HydrophobicContact CB-CZ3 4.14Å; M12-W28 HydrophobicContact CE-CZ3 4.47Å; M12-W28 HydrophobicContact SD-CZ3 4.48Å; C14-W28 HydrophobicContact CB-CH2 3.9Å; C14-W28 HydrophobicContact CB-CZ2 3.68Å; W28-I40 HydrophobicContact CB-CB 4.1Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.38Å; W28-I40 PolarHBondContact O-N 2.85Å; W28-G41 PolarHBondContact N-O 2.77Å; W28-L62 HydrophobicContact CG-CD2 4.02Å; W28-V71 HydrophobicContact CZ2-CG2 4.21Å; W28-L73 HydrophobicContact CB-CD2 4.31Å; W28-L73 HydrophobicContact CD2-CB 3.57Å; W28-L73 HydrophobicContact CD2-CD2 3.86Å; W28-L73 HydrophobicContact CD2-CG 4.31Å; W28-L73 VanDerWaalsContact CE2-CB 3.5Å; W28-L73 HydrophobicContact CE3-CB 3.87Å; W28-L73 HydrophobicContact CE3-CD2 3.61Å; W28-L73 HydrophobicContact CE3-CG 4.39Å; W28-L73 HydrophobicContact CG-CB 4.08Å; W28-L73 HydrophobicContact CG-CD2 4.19Å; W28-L73 HydrophobicContact CH2-CB 4.02Å; W28-L73 HydrophobicContact CZ2-CB 3.74Å; W28-L73 HydrophobicContact CZ3-CB 4.09Å; W28-L73 HydrophobicContact CZ3-CD2 4.2Å; W28-Y87 WeakPolarHBondContact CA-O 3.04Å; W28-C88 HydrophobicContact CD2-CB 4.25Å; W28-C88 HydrophobicContact CE3-CB 4.22Å; W28-C88 HydrophobicContact CH2-CB 4.28Å; W28-C88 HydrophobicContact CZ2-CB 4.3Å; W28-C88 HydrophobicContact CZ3-CB 4.24Å
29	M	96.7	Very high	90.7	Very high	10 Å²	10	53.6 Å²	53.6	5%	0.049	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.5	-175.5	-55.2	-62.7	-65.8	0	0	110.1	L37 E38 W39 Y86 Y87 F102 W105	M29-L37 HydrophobicContact CB-CD2 4.17Å; M29-L37 HydrophobicContact CE-CB 3.82Å; M29-E38 CarbonylContact C-O 3.52Å; M29-E38 WeakPolarHBondContact CA-O 3.34Å; M29-W39 HydrophobicContact CE-CB 4.05Å; M29-W39 HydrophobicContact SD-CB 3.88Å; M29-W39 VanDerWaalsContact SD-CD1 3.58Å; M29-W39 HydrophobicContact SD-CG 4.15Å; M29-Y86 CarbonylContact O-C 3.57Å; M29-Y86 WeakPolarHBondContact O-CA 3.45Å; M29-Y87 PolarHBondContact N-O 2.86Å; M29-Y87 PolarHBondContact O-N 3.25Å; M29-F102 HydrophobicContact CE-CE2 4.09Å; M29-F102 HydrophobicContact SD-CE2 4.03Å; M29-F102 HydrophobicContact SD-CZ 3.99Å; M29-W105 HydrophobicContact CB-CZ3 4.1Å; M29-W105 HydrophobicContact CG-CH2 3.87Å; M29-W105 HydrophobicContact CG-CZ3 3.73Å
30	K	96.5	Very high	91.2	Very high	12 Å²	12	51 Å²	51	5%	0.052	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130.2	170.6	-173.5	-177	-175.8	-162.3	0	109.6	N32 E38 I40 F56 D81 D82 A84 Y86	K30-N32 WeakPolarHBondContact CD-OD1 3.26Å; K30-N32 WeakPolarHBondContact CE-OD1 3.48Å; K30-N32 PolarHBondContact NZ-OD1 3.45Å; K30-E38 HydrophobicContact CB-CB 4.47Å; K30-E38 PolarHBondContact N-O 3.29Å; K30-E38 PolarHBondContact O-N 2.83Å; K30-I40 HydrophobicContact CB-CD1 4.05Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; K30-F56 HydrophobicContact CB-CZ 4.3Å; K30-F56 HydrophobicContact CD-CE1 3.97Å; K30-F56 HydrophobicContact CD-CZ 3.9Å; K30-D81 PolarHBondContact NZ-O 2.81Å; K30-D82 IonicContact NZ-OD1 3.83Å; K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.6Å; K30-Y86 HydrophobicContact CB-CD1 4.2Å; K30-Y86 HydrophobicContact CB-CE1 3.98Å; K30-Y86 HydrophobicContact CD-CE1 4Å; K30-Y86 WeakPolarHBondContact CE-OH 3.49Å; K30-Y86 HydrophobicContact CG-CD1 4.24Å; K30-Y86 HydrophobicContact CG-CE1 3.71Å
31	Q	96.1	Very high	91.4	Very high	67 Å²	67	46.6 Å²	46.6	31%	0.313	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	105.2	170.8	-167.3	178.8	36.5	0	0	109.7	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.76Å; Q31-L37 HydrophobicContact CG-CD2 4.13Å; Q31-A84 WeakPolarHBondContact O-CA 3.27Å; Q31-A84 VanDerWaalsContact O-CB 3.26Å; Q31-A84 WeakPolarHBondContact O-CB 3.24Å; Q31-V85 PolarHBondContact N-O 2.73Å; Q31-V85 PolarHBondContact O-N 2.83Å; Q31-Y87 HydrophobicContact CB-CD2 4.3Å; Q31-Y87 HydrophobicContact CB-CE2 3.71Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.28Å; Q31-Y87 PolarHBondContact OE1-OH 3.19Å
32	N	90.5	Very high	91.6	Very high	20 Å²	20	46.9 Å²	46.9	11%	0.107	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	151.3	171.7	-51.8	-42.8	0	0	0	109.4	K30 G34 K35 E38	K30-N32 WeakPolarHBondContact CD-OD1 3.26Å; K30-N32 WeakPolarHBondContact CE-OD1 3.48Å; K30-N32 PolarHBondContact NZ-OD1 3.45Å; N32-G34 PolarHBondContact O-N 2.81Å; N32-K35 HydrophobicContact CB-CB 4.07Å; N32-K35 HydrophobicContact CB-CD 4.02Å; N32-K35 HydrophobicContact CB-CG 4.23Å; N32-K35 PolarHBondContact O-N 3.11Å; N32-E38 PolarHBondContact ND2-OE1 2.94Å
33	H	82.9	Confident	91.8	Very high	139 Å²	139	44.8 Å²	44.8	64%	0.644	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	114.3	-177.7	-65.4	-165.4	0	0	0	110.8	K35	H33-K35 VanDerWaalsContact C-N 3.32Å; H33-K35 PolarHBondContact O-N 2.78Å
34	G	75.2	Confident	91.9	Very high	91 Å²	91	43.6 Å²	43.6	94%	0.938	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	11.1	179	0	0	0	0	0	116.4	N32	N32-G34 PolarHBondContact O-N 2.81Å
35	K	78.2	Confident	92	Very high	142 Å²	142	40.9 Å²	40.9	62%	0.617	22%	0.223	S	C	*	.	S	Bend	trans	-113.4	173.3	178.9	-58.6	-173.4	178.4	175.1	0	112.7	N32 H33	N32-K35 HydrophobicContact CB-CB 4.07Å; N32-K35 HydrophobicContact CB-CD 4.02Å; N32-K35 HydrophobicContact CB-CG 4.23Å; N32-K35 PolarHBondContact O-N 3.11Å; H33-K35 VanDerWaalsContact C-N 3.32Å; H33-K35 PolarHBondContact O-N 2.78Å
36	S	86.3	Confident	91.9	Very high	92 Å²	92	49.3 Å²	49.3	64%	0.643	26%	0.255	S	S	*	.			trans	-59.7	154	171.7	56.4	0	0	0	0	112.3
37	L	92.7	Very high	91.8	Very high	74 Å²	74	53.5 Å²	53.5	39%	0.387	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	131.3	168.4	-74.2	161.8	0	0	0	110.1	M29 Q31 Y87 W105	M29-L37 HydrophobicContact CB-CD2 4.17Å; M29-L37 HydrophobicContact CE-CB 3.82Å; Q31-L37 HydrophobicContact CB-CD2 3.76Å; Q31-L37 HydrophobicContact CG-CD2 4.13Å; L37-Y87 HydrophobicContact CD2-CD2 4.23Å; L37-Y87 HydrophobicContact CD2-CE2 4.48Å; L37-W105 HydrophobicContact CD1-CH2 3.88Å; L37-W105 HydrophobicContact CD1-CZ3 4.38Å
38	E	95	Very high	91.6	Very high	41 Å²	41	57.3 Å²	57.3	19%	0.192	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126	173.1	-66.6	-171	-99.1	0	0	109.6	M29 K30 N32 K55 F56	M29-E38 CarbonylContact C-O 3.52Å; M29-E38 WeakPolarHBondContact CA-O 3.34Å; K30-E38 HydrophobicContact CB-CB 4.47Å; K30-E38 PolarHBondContact N-O 3.29Å; K30-E38 PolarHBondContact O-N 2.83Å; N32-E38 PolarHBondContact ND2-OE1 2.94Å; E38-K55 IonicContact OE2-NZ 2.81Å; E38-K55 PolarHBondContact OE2-NZ 2.83Å; E38-F56 HydrophobicContact CB-CE2 4.47Å
39	W	95.3	Very high	91.3	Very high	76 Å²	76	60 Å²	60	29%	0.288	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	129.3	174.9	179	70.1	0	0	0	110.9	E27 M29 G41 N42 K51 N53	E27-W39 PolarHBondContact OE2-NE1 2.8Å; M29-W39 HydrophobicContact CE-CB 4.05Å; M29-W39 HydrophobicContact SD-CB 3.88Å; M29-W39 VanDerWaalsContact SD-CD1 3.58Å; M29-W39 HydrophobicContact SD-CG 4.15Å; W39-G41 VanDerWaalsContact CZ2-CA 3.48Å; W39-G41 PolarHBondContact NE1-O 3.47Å; W39-N42 HydrophobicContact CZ2-CB 4.3Å; W39-K51 HydrophobicContact CH2-CB 4Å; W39-K51 HydrophobicContact CZ2-CB 4.29Å; W39-N53 HydrophobicContact CE3-CB 3.7Å; W39-N53 HydrophobicContact CZ3-CB 3.95Å; W39-N53 WeakPolarHBondContact O-CB 3.43Å; W39-N53 PolarHBondContact O-ND2 3.48Å
40	I	97	Very high	91.2	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-46	179.6	-59.7	177.5	0	0	0	110.4	W28 K30 N53 F56 A60 L73 Y86	W28-I40 HydrophobicContact CB-CB 4.1Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.38Å; W28-I40 PolarHBondContact O-N 2.85Å; K30-I40 HydrophobicContact CB-CD1 4.05Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; I40-N53 WeakPolarHBondContact O-CB 3.28Å; I40-N53 PolarHBondContact O-N 3.06Å; I40-F56 HydrophobicContact CB-CD2 4.33Å; I40-F56 HydrophobicContact CB-CG 4.29Å; I40-F56 HydrophobicContact CD1-CE1 4.49Å; I40-F56 HydrophobicContact CG1-CD1 4.19Å; I40-F56 HydrophobicContact CG1-CD2 4.28Å; I40-F56 HydrophobicContact CG1-CE1 4.03Å; I40-F56 HydrophobicContact CG1-CE2 4.11Å; I40-F56 HydrophobicContact CG1-CG 4.31Å; I40-F56 HydrophobicContact CG1-CZ 3.98Å; I40-F56 HydrophobicContact CG2-CB 3.91Å; I40-F56 HydrophobicContact CG2-CD1 4.08Å; I40-F56 HydrophobicContact CG2-CD2 4.37Å; I40-F56 HydrophobicContact CG2-CG 3.87Å; I40-A60 HydrophobicContact CG2-CB 3.75Å; I40-L73 HydrophobicContact CD1-CD2 3.7Å; I40-L73 HydrophobicContact CG2-CD1 4.14Å; I40-Y86 HydrophobicContact CD1-CD1 3.65Å; I40-Y86 HydrophobicContact CD1-CE1 3.79Å
41	G	95.6	Very high	91.2	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.3	174.1	-170.9	0	0	0	0	0	111.2	W28 W39 K51	W28-G41 PolarHBondContact N-O 2.77Å; W39-G41 VanDerWaalsContact CZ2-CA 3.48Å; W39-G41 PolarHBondContact NE1-O 3.47Å; G41-K51 CarbonylContact C-O 3.42Å; G41-K51 WeakPolarHBondContact CA-O 3.14Å
42	N	94.8	Very high	91.2	Very high	18 Å²	18	66.6 Å²	66.6	10%	0.096	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	161.7	175.3	73.2	40.7	0	0	0	112.5	I26 E27 W39 T50 K51	I26-N42 VanDerWaalsContact O-CA 3.22Å; I26-N42 WeakPolarHBondContact O-CA 3.38Å; I26-N42 WeakPolarHBondContact O-CB 3.18Å; E27-N42 HydrophobicContact CG-CB 4.3Å; E27-N42 VanDerWaalsContact OE1-CB 3.31Å; E27-N42 WeakPolarHBondContact OE1-CB 3.49Å; E27-N42 PolarHBondContact OE1-ND2 3.08Å; E27-N42 VanDerWaalsContact OE2-CB 3.26Å; E27-N42 WeakPolarHBondContact OE2-CB 3.37Å; W39-N42 HydrophobicContact CZ2-CB 4.3Å; N42-T50 WeakPolarHBondContact O-CA 3.49Å; N42-K51 PolarHBondContact N-O 3.31Å; N42-K51 PolarHBondContact O-N 2.84Å
43	F	93.9	Very high	91.4	Very high	12 Å²	12	67.6 Å²	67.6	5%	0.053	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.4	173.4	-176.4	-92.6	0	0	0	109.3	P25 I26 P45 D48 D49 T50 V64 V71	P25-F43 VanDerWaalsContact CA-O 3.31Å; P25-F43 WeakPolarHBondContact CA-O 3.15Å; I26-F43 PolarHBondContact N-O 2.96Å; I26-F43 PolarHBondContact O-N 2.79Å; F43-P45 HydrophobicContact CD1-CB 4.38Å; F43-P45 HydrophobicContact CD1-CG 3.98Å; F43-P45 HydrophobicContact CE1-CB 3.96Å; F43-P45 HydrophobicContact CE1-CG 4.08Å; F43-P45 WeakPolarHBondContact O-CD 3.03Å; F43-D48 HydrophobicContact CZ-CB 4.21Å; F43-D48 WeakPolarHBondContact CZ-OD1 3.45Å; F43-D49 WeakPolarHBondContact CA-O 3.15Å; F43-T50 HydrophobicContact CD2-CG2 4.39Å; F43-T50 VanDerWaalsContact CD2-OG1 3.23Å; F43-T50 WeakPolarHBondContact CD2-OG1 2.97Å; F43-V64 HydrophobicContact CD1-CB 3.88Å; F43-V64 HydrophobicContact CD1-CG1 4.3Å; F43-V64 HydrophobicContact CD1-CG2 4.09Å; F43-V64 HydrophobicContact CE1-CB 3.43Å; F43-V64 VanDerWaalsContact CE1-CB 3.43Å; F43-V64 HydrophobicContact CE1-CG1 3.39Å; F43-V64 HydrophobicContact CE1-CG2 3.65Å; F43-V64 HydrophobicContact CE2-CB 4.45Å; F43-V64 HydrophobicContact CE2-CG1 4.06Å; F43-V64 HydrophobicContact CZ-CB 3.77Å; F43-V64 HydrophobicContact CZ-CG1 3.25Å; F43-V64 HydrophobicContact CZ-CG2 4.41Å; F43-V71 HydrophobicContact CD1-CG1 4.21Å
44	H	93	Very high	92	Very high	46 Å²	46	67.3 Å²	67.3	21%	0.213	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	106.3	177.6	-164.1	-45.8	0	0	0	110.9	P25 Y46 N47 D48 D49	P25-H44 HydrophobicContact CB-CB 4.05Å; H44-Y46 VanDerWaalsContact C-N 3.29Å; H44-Y46 WeakPolarHBondContact CE1-CB 3.18Å; H44-Y46 WeakPolarHBondContact ND1-CB 3.24Å; H44-Y46 PolarHBondContact ND1-N 2.96Å; H44-Y46 PolarHBondContact O-N 3.46Å; H44-N47 WeakPolarHBondContact CB-OD1 2.94Å; H44-N47 PolarHBondContact O-N 3.45Å; H44-N47 PolarHBondContact O-OD1 2.94Å; H44-D48 WeakPolarHBondContact O-CA 2.95Å; H44-D48 PolarHBondContact O-N 2.75Å; H44-D49 HydrophobicContact CB-CB 4.34Å; H44-D49 PolarHBondContact N-O 2.83Å; H44-D49 PolarHBondContact O-N 3.38Å
45	P	91.4	Very high	92.9	Very high	1 Å²	1	70.1 Å²	70.1	1%	0.006	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-16.4	-170.6	-13.4	27.1	0	0	0	115.7	F21 T22 Y24 F43 K66	F21-P45 HydrophobicContact CD1-CB 4.04Å; F21-P45 HydrophobicContact CD1-CG 4.19Å; F21-P45 HydrophobicContact CD2-CG 4.4Å; F21-P45 HydrophobicContact CE1-CB 3.78Å; F21-P45 HydrophobicContact CE1-CG 3.81Å; F21-P45 HydrophobicContact CE2-CG 4.07Å; F21-P45 HydrophobicContact CG-CG 4.49Å; F21-P45 HydrophobicContact CZ-CB 4.25Å; F21-P45 HydrophobicContact CZ-CG 3.76Å; T22-P45 HydrophobicContact CG2-CB 4.3Å; Y24-P45 WeakPolarHBondContact O-CD 3.24Å; F43-P45 HydrophobicContact CD1-CB 4.38Å; F43-P45 HydrophobicContact CD1-CG 3.98Å; F43-P45 HydrophobicContact CE1-CB 3.96Å; F43-P45 HydrophobicContact CE1-CG 4.08Å; F43-P45 WeakPolarHBondContact O-CD 3.03Å; P45-K66 WeakPolarHBondContact O-CE 3.37Å; P45-K66 PolarHBondContact O-NZ 2.77Å
46	Y	90.8	Very high	93.7	Very high	183 Å²	183	63.9 Å²	63.9	72%	0.718	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-50	173	-178.3	-114.1	0	0	0	113.8	T22 H44	T22-Y46 WeakPolarHBondContact O-CB 3.33Å; H44-Y46 VanDerWaalsContact C-N 3.29Å; H44-Y46 WeakPolarHBondContact CE1-CB 3.18Å; H44-Y46 WeakPolarHBondContact ND1-CB 3.24Å; H44-Y46 PolarHBondContact ND1-N 2.96Å; H44-Y46 PolarHBondContact O-N 3.46Å
47	N	92.6	Very high	94.1	Very high	91 Å²	91	65.5 Å²	65.5	49%	0.487	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	6.9	-171.8	62.8	-9.8	0	0	0	113	H44 D49	H44-N47 WeakPolarHBondContact CB-OD1 2.94Å; H44-N47 PolarHBondContact O-N 3.45Å; H44-N47 PolarHBondContact O-OD1 2.94Å; N47-D49 PolarHBondContact O-N 2.55Å; N47-D49 VanDerWaalsContact OD1-CB 3.26Å; N47-D49 WeakPolarHBondContact OD1-CB 3.37Å; N47-D49 PolarHBondContact OD1-N 3.14Å
48	D	91.4	Very high	94.1	Very high	83 Å²	83	64.5 Å²	64.5	44%	0.444	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	25.9	-176.7	-61.6	-46.9	0	0	0	113.5	F43 H44 K66	F43-D48 HydrophobicContact CZ-CB 4.21Å; F43-D48 WeakPolarHBondContact CZ-OD1 3.45Å; H44-D48 WeakPolarHBondContact O-CA 2.95Å; H44-D48 PolarHBondContact O-N 2.75Å; D48-K66 WeakPolarHBondContact OD1-CE 3.27Å; D48-K66 IonicContact OD1-NZ 2.83Å; D48-K66 PolarHBondContact OD1-NZ 2.78Å; D48-K66 IonicContact OD2-NZ 2.69Å; D48-K66 PolarHBondContact OD2-NZ 3.09Å
49	D	92.4	Very high	94.2	Very high	61 Å²	61	64.6 Å²	64.6	33%	0.326	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	136.9	176.8	-172.4	28.4	0	0	0	110.4	F43 H44 N47 K51	F43-D49 WeakPolarHBondContact CA-O 3.15Å; H44-D49 HydrophobicContact CB-CB 4.34Å; H44-D49 PolarHBondContact N-O 2.83Å; H44-D49 PolarHBondContact O-N 3.38Å; N47-D49 PolarHBondContact O-N 2.55Å; N47-D49 VanDerWaalsContact OD1-CB 3.26Å; N47-D49 WeakPolarHBondContact OD1-CB 3.37Å; N47-D49 PolarHBondContact OD1-N 3.14Å; D49-K51 WeakPolarHBondContact OD2-CE 3.45Å; D49-K51 IonicContact OD2-NZ 2.69Å
50	T	94.6	Very high	94.3	Very high	46 Å²	46	61.2 Å²	61.2	28%	0.282	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125	-179.8	-49	0	0	0	0	109.3	N42 F43 Y52 L62	N42-T50 WeakPolarHBondContact O-CA 3.49Å; F43-T50 HydrophobicContact CD2-CG2 4.39Å; F43-T50 VanDerWaalsContact CD2-OG1 3.23Å; F43-T50 WeakPolarHBondContact CD2-OG1 2.97Å; T50-Y52 HydrophobicContact CG2-CD2 4.17Å; T50-Y52 HydrophobicContact CG2-CE2 3.39Å; T50-L62 HydrophobicContact CG2-CB 4.03Å; T50-L62 HydrophobicContact CG2-CD1 4.02Å
51	K	94.7	Very high	94.3	Very high	111 Å²	111	64.2 Å²	64.2	48%	0.483	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	145.9	176.5	-62.1	-177.9	-174.9	173.3	0	110.1	W39 G41 N42 D49	W39-K51 HydrophobicContact CH2-CB 4Å; W39-K51 HydrophobicContact CZ2-CB 4.29Å; G41-K51 CarbonylContact C-O 3.42Å; G41-K51 WeakPolarHBondContact CA-O 3.14Å; N42-K51 PolarHBondContact N-O 3.31Å; N42-K51 PolarHBondContact O-N 2.84Å; D49-K51 WeakPolarHBondContact OD2-CE 3.45Å; D49-K51 IonicContact OD2-NZ 2.69Å
52	Y	96.2	Very high	94.3	Very high	72 Å²	72	64.9 Å²	64.9	28%	0.282	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	146.9	178.6	-67.2	-87.1	0	0	0	110	T50 A60 L62	T50-Y52 HydrophobicContact CG2-CD2 4.17Å; T50-Y52 HydrophobicContact CG2-CE2 3.39Å; Y52-A60 HydrophobicContact CE1-CB 4.4Å; Y52-A60 WeakPolarHBondContact CE1-O 3.26Å; Y52-L62 HydrophobicContact CE1-CB 4.39Å; Y52-L62 HydrophobicContact CE1-CD1 4.09Å; Y52-L62 HydrophobicContact CE1-CG 3.81Å; Y52-L62 PolarHBondContact OH-N 2.89Å
53	N	95.8	Very high	94.3	Very high	41 Å²	41	66.5 Å²	66.5	22%	0.219	33%	0.33	C	S	.	.			trans	-72.6	134	158.8	-176.2	-28.9	0	0	0	108.8	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.7Å; W39-N53 HydrophobicContact CZ3-CB 3.95Å; W39-N53 WeakPolarHBondContact O-CB 3.43Å; W39-N53 PolarHBondContact O-ND2 3.48Å; I40-N53 WeakPolarHBondContact O-CB 3.28Å; I40-N53 PolarHBondContact O-N 3.06Å; N53-K55 PolarHBondContact O-N 2.82Å; N53-K55 VanDerWaalsContact O-N 3.09Å; N53-K55 PolarHBondContact OD1-N 3.44Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 2.83Å; N53-K57 PolarHBondContact O-N 2.02Å
54	E	95.8	Very high	94.4	Very high	133 Å²	133	68.1 Å²	68.1	62%	0.621	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-54.5	-31.2	-179.3	-68.9	-61	140.6	0	0	112.9	F56 K57	E54-F56 PolarHBondContact O-N 2.86Å; E54-K57 WeakPolarHBondContact O-CB 3.12Å; E54-K57 PolarHBondContact O-N 3.28Å; E54-K57 IonicContact OE1-NZ 3.61Å; E54-K57 PolarHBondContact OE1-NZ 3.45Å; E54-K57 WeakPolarHBondContact OE2-CD 3.36Å; E54-K57 IonicContact OE2-NZ 3.52Å; E54-K57 PolarHBondContact OE2-NZ 2.81Å
55	K	93.7	Very high	94.4	Very high	150 Å²	150	69.8 Å²	69.8	65%	0.652	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-61	-29.8	175.4	-68.5	-171.1	-174.1	-178.3	0	114.1	E38 N53	E38-K55 IonicContact OE2-NZ 2.81Å; E38-K55 PolarHBondContact OE2-NZ 2.83Å; N53-K55 PolarHBondContact O-N 2.82Å; N53-K55 VanDerWaalsContact O-N 3.09Å; N53-K55 PolarHBondContact OD1-N 3.44Å
56	F	95.4	Very high	94.4	Very high	11 Å²	11	74 Å²	74	5%	0.048	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-104.6	-5.8	-174.6	-67.1	-85.7	0	0	0	112.6	K30 E38 I40 N53 E54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.3Å; K30-F56 HydrophobicContact CD-CE1 3.97Å; K30-F56 HydrophobicContact CD-CZ 3.9Å; E38-F56 HydrophobicContact CB-CE2 4.47Å; I40-F56 HydrophobicContact CB-CD2 4.33Å; I40-F56 HydrophobicContact CB-CG 4.29Å; I40-F56 HydrophobicContact CD1-CE1 4.49Å; I40-F56 HydrophobicContact CG1-CD1 4.19Å; I40-F56 HydrophobicContact CG1-CD2 4.28Å; I40-F56 HydrophobicContact CG1-CE1 4.03Å; I40-F56 HydrophobicContact CG1-CE2 4.11Å; I40-F56 HydrophobicContact CG1-CG 4.31Å; I40-F56 HydrophobicContact CG1-CZ 3.98Å; I40-F56 HydrophobicContact CG2-CB 3.91Å; I40-F56 HydrophobicContact CG2-CD1 4.08Å; I40-F56 HydrophobicContact CG2-CD2 4.37Å; I40-F56 HydrophobicContact CG2-CG 3.87Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 2.83Å; E54-F56 PolarHBondContact O-N 2.86Å; F56-G58 PolarHBondContact O-N 2.92Å; F56-K59 PolarHBondContact O-N 3.01Å; F56-A60 HydrophobicContact CB-CB 4.05Å; F56-A60 PolarHBondContact O-N 3.39Å
57	K	93.8	Very high	94.5	Very high	125 Å²	125	70.6 Å²	70.6	54%	0.543	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-61.2	127.5	178.7	-159.6	173.8	-171.3	171.9	0	110.2	N53 E54 K59	N53-K57 PolarHBondContact O-N 2.02Å; E54-K57 WeakPolarHBondContact O-CB 3.12Å; E54-K57 PolarHBondContact O-N 3.28Å; E54-K57 IonicContact OE1-NZ 3.61Å; E54-K57 PolarHBondContact OE1-NZ 3.45Å; E54-K57 WeakPolarHBondContact OE2-CD 3.36Å; E54-K57 IonicContact OE2-NZ 3.52Å; E54-K57 PolarHBondContact OE2-NZ 2.81Å; K57-K59 PolarHBondContact O-N 3.34Å
58	G	93.1	Very high	94.6	Very high	53 Å²	53	67.8 Å²	67.8	55%	0.546	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	-4.8	-175.2	0	0	0	0	0	115.1	F56 R77	F56-G58 PolarHBondContact O-N 2.92Å; G58-R77 PolarHBondContact O-NH2 2.94Å
59	K	95.9	Very high	94.7	Very high	43 Å²	43	65.6 Å²	65.6	19%	0.187	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-45.2	171.1	-165.4	172.1	-167.3	170.8	0	112	F56 K57 S76 D82	F56-K59 PolarHBondContact O-N 3.01Å; K57-K59 PolarHBondContact O-N 3.34Å; K59-S76 WeakPolarHBondContact CE-O 3.49Å; K59-S76 VanDerWaalsContact CG-O 3.27Å; K59-S76 WeakPolarHBondContact CG-O 3.34Å; K59-S76 PolarHBondContact O-N 2.65Å; K59-S76 PolarHBondContact O-OG 2.85Å; K59-S76 VanDerWaalsContact O-OG 3.09Å; K59-D82 WeakPolarHBondContact CE-OD1 3.22Å; K59-D82 WeakPolarHBondContact CE-OD2 3.43Å; K59-D82 IonicContact NZ-OD1 3.17Å; K59-D82 PolarHBondContact NZ-OD1 2.93Å; K59-D82 IonicContact NZ-OD2 3.37Å; K59-D82 PolarHBondContact NZ-OD2 2.96Å
60	A	97.5	Very high	94.9	Very high	5 Å²	5	63.1 Å²	63.1	4%	0.041	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	138.5	177.3	0	0	0	0	0	111.4	I40 Y52 F56 L73 E74 L75	I40-A60 HydrophobicContact CG2-CB 3.75Å; Y52-A60 HydrophobicContact CE1-CB 4.4Å; Y52-A60 WeakPolarHBondContact CE1-O 3.26Å; F56-A60 HydrophobicContact CB-CB 4.05Å; F56-A60 PolarHBondContact O-N 3.39Å; A60-L73 HydrophobicContact CB-CD1 3.77Å; A60-E74 CarbonylContact C-O 3.53Å; A60-E74 WeakPolarHBondContact CA-O 3.47Å; A60-L75 HydrophobicContact CB-CD2 3.86Å
61	T	97.6	Very high	94.9	Very high	64 Å²	64	61 Å²	61	39%	0.393	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121.4	170.1	-57.7	0	0	0	0	108.2	T63 E74	T61-T63 HydrophobicContact CG2-CG2 4.2Å; T61-E74 PolarHBondContact N-O 2.69Å; T61-E74 PolarHBondContact O-N 2.82Å
62	L	96.7	Very high	95.1	Very high	14 Å²	14	58 Å²	58	7%	0.073	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	131.8	174.3	-62	179.3	0	0	0	109.9	W28 T50 Y52 Y72 L73	W28-L62 HydrophobicContact CG-CD2 4.02Å; T50-L62 HydrophobicContact CG2-CB 4.03Å; T50-L62 HydrophobicContact CG2-CD1 4.02Å; Y52-L62 HydrophobicContact CE1-CB 4.39Å; Y52-L62 HydrophobicContact CE1-CD1 4.09Å; Y52-L62 HydrophobicContact CE1-CG 3.81Å; Y52-L62 PolarHBondContact OH-N 2.89Å; L62-Y72 WeakPolarHBondContact CA-O 3.32Å; L62-L73 HydrophobicContact CD2-CB 4.05Å; L62-L73 HydrophobicContact CD2-CD1 3.69Å; L62-L73 HydrophobicContact CD2-CG 4.47Å
63	T	95.1	Very high	95.1	Very high	52 Å²	52	54.6 Å²	54.6	32%	0.319	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	157.5	175.3	54.8	0	0	0	0	110.8	T61 V71 Y72	T61-T63 HydrophobicContact CG2-CG2 4.2Å; T63-V71 CarbonylContact O-C 3.55Å; T63-V71 WeakPolarHBondContact O-CA 3.11Å; T63-Y72 PolarHBondContact N-O 2.76Å; T63-Y72 PolarHBondContact O-N 3.26Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.5Å
64	V	94.5	Very high	95.2	Very high	45 Å²	45	56.1 Å²	56.1	27%	0.273	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	145.4	-178	67.8	0	0	0	0	111.7	F21 F43 K66 V71	F21-V64 HydrophobicContact CE1-CG2 3.64Å; F21-V64 HydrophobicContact CZ-CG2 3.69Å; F43-V64 HydrophobicContact CD1-CB 3.88Å; F43-V64 HydrophobicContact CD1-CG1 4.3Å; F43-V64 HydrophobicContact CD1-CG2 4.09Å; F43-V64 HydrophobicContact CE1-CB 3.43Å; F43-V64 VanDerWaalsContact CE1-CB 3.43Å; F43-V64 HydrophobicContact CE1-CG1 3.39Å; F43-V64 HydrophobicContact CE1-CG2 3.65Å; F43-V64 HydrophobicContact CE2-CB 4.45Å; F43-V64 HydrophobicContact CE2-CG1 4.06Å; F43-V64 HydrophobicContact CZ-CB 3.77Å; F43-V64 HydrophobicContact CZ-CG1 3.25Å; F43-V64 HydrophobicContact CZ-CG2 4.41Å; V64-K66 HydrophobicContact CG1-CG 4.48Å; V64-K66 HydrophobicContact CG2-CG 4.13Å; V64-V71 HydrophobicContact CB-CG1 4.49Å; V64-V71 HydrophobicContact CG2-CG1 4.09Å
65	E	94.3	Very high	95.3	Very high	81 Å²	81	49.8 Å²	49.8	38%	0.379	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	96	166.4	-176.1	179.5	-147.6	0	0	108.5	S67 S68 S69 T70 Y72	E65-S67 VanDerWaalsContact C-N 3.33Å; E65-S67 WeakPolarHBondContact CG-OG 3.01Å; E65-S67 PolarHBondContact O-N 2.88Å; E65-S68 VanDerWaalsContact CD-OG 3.22Å; E65-S68 WeakPolarHBondContact CG-OG 3.47Å; E65-S68 PolarHBondContact O-N 2.94Å; E65-S68 PolarHBondContact O-OG 3.12Å; E65-S68 PolarHBondContact OE2-OG 3.09Å; E65-S69 PolarHBondContact O-N 3.23Å; E65-S69 VanDerWaalsContact O-N 3.1Å; E65-T70 PolarHBondContact N-O 3.37Å; E65-T70 PolarHBondContact O-N 2.88Å; E65-Y72 HydrophobicContact CB-CE2 3.84Å; E65-Y72 PolarHBondContact OE2-OH 3.2Å
66	K	91.2	Very high	95.5	Very high	89 Å²	89	43.9 Å²	43.9	39%	0.387	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-64	-35.9	-174.1	-67.7	-176.9	-179	179.6	0	112.8	F21 P45 D48 V64 S68 S69	F21-K66 HydrophobicContact CE1-CG 4.44Å; P45-K66 WeakPolarHBondContact O-CE 3.37Å; P45-K66 PolarHBondContact O-NZ 2.77Å; D48-K66 WeakPolarHBondContact OD1-CE 3.27Å; D48-K66 IonicContact OD1-NZ 2.83Å; D48-K66 PolarHBondContact OD1-NZ 2.78Å; D48-K66 IonicContact OD2-NZ 2.69Å; D48-K66 PolarHBondContact OD2-NZ 3.09Å; V64-K66 HydrophobicContact CG1-CG 4.48Å; V64-K66 HydrophobicContact CG2-CG 4.13Å; K66-S68 VanDerWaalsContact C-N 3.27Å; K66-S68 PolarHBondContact O-N 2.81Å; K66-S69 PolarHBondContact O-N 2.91Å; K66-S69 VanDerWaalsContact O-N 3.15Å
67	S	91.4	Very high	95.5	Very high	113 Å²	113	51.3 Å²	51.3	79%	0.79	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-60.5	-35.7	179.6	53.6	0	0	0	0	112.8	E65	E65-S67 VanDerWaalsContact C-N 3.33Å; E65-S67 WeakPolarHBondContact CG-OG 3.01Å; E65-S67 PolarHBondContact O-N 2.88Å
68	S	94.6	Very high	95.7	Very high	32 Å²	32	45.4 Å²	45.4	22%	0.224	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-97.5	-2.1	178.7	72	0	0	0	0	113.2	K15 E65 K66 T70	K15-S68 WeakPolarHBondContact CE-O 2.98Å; E65-S68 VanDerWaalsContact CD-OG 3.22Å; E65-S68 WeakPolarHBondContact CG-OG 3.47Å; E65-S68 PolarHBondContact O-N 2.94Å; E65-S68 PolarHBondContact O-OG 3.12Å; E65-S68 PolarHBondContact OE2-OG 3.09Å; K66-S68 VanDerWaalsContact C-N 3.27Å; K66-S68 PolarHBondContact O-N 2.81Å; S68-T70 PolarHBondContact O-N 3.38Å; S68-T70 PolarHBondContact O-OG1 2.97Å; S68-T70 VanDerWaalsContact OG-CB 3.28Å; S68-T70 WeakPolarHBondContact OG-CB 3.39Å; S68-T70 PolarHBondContact OG-OG1 3.37Å
69	S	95.2	Very high	95.8	Very high	37 Å²	37	45.6 Å²	45.6	26%	0.259	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	40	-172.2	-58.5	0	0	0	0	112.7	A16 F21 E65 K66	A16-S69 PolarHBondContact N-O 2.91Å; F21-S69 WeakPolarHBondContact CB-OG 3.18Å; F21-S69 WeakPolarHBondContact CE2-O 3.21Å; E65-S69 PolarHBondContact O-N 3.23Å; E65-S69 VanDerWaalsContact O-N 3.1Å; K66-S69 PolarHBondContact O-N 2.91Å; K66-S69 VanDerWaalsContact O-N 3.15Å
70	T	96.1	Very high	95.7	Very high	9 Å²	9	47.3 Å²	47.3	6%	0.055	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.2	-175.3	-50.8	0	0	0	0	110.4	C14 E65 S68 Y72	C14-T70 CarbonylContact O-C 3.59Å; C14-T70 WeakPolarHBondContact O-CA 3.48Å; E65-T70 PolarHBondContact N-O 3.37Å; E65-T70 PolarHBondContact O-N 2.88Å; S68-T70 PolarHBondContact O-N 3.38Å; S68-T70 PolarHBondContact O-OG1 2.97Å; S68-T70 VanDerWaalsContact OG-CB 3.28Å; S68-T70 WeakPolarHBondContact OG-CB 3.39Å; S68-T70 PolarHBondContact OG-OG1 3.37Å; T70-Y72 HydrophobicContact CG2-CD1 4.38Å; T70-Y72 HydrophobicContact CG2-CD2 4.3Å; T70-Y72 HydrophobicContact CG2-CE1 3.84Å; T70-Y72 HydrophobicContact CG2-CE2 3.74Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.47Å
71	V	95.4	Very high	95.5	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	150.8	164.4	-60	0	0	0	0	109.6	S13 C14 F21 I26 W28 F43 T63 V64	S13-V71 CarbonylContact C-O 3.45Å; C14-V71 HydrophobicContact CB-CG2 3.79Å; C14-V71 PolarHBondContact N-O 2.93Å; C14-V71 PolarHBondContact O-N 3.34Å; F21-V71 HydrophobicContact CE2-CG1 4.06Å; F21-V71 HydrophobicContact CZ-CG1 3.7Å; I26-V71 HydrophobicContact CB-CG1 4.09Å; I26-V71 HydrophobicContact CB-CG2 3.87Å; I26-V71 HydrophobicContact CG1-CG1 3.97Å; I26-V71 HydrophobicContact CG1-CG2 4.3Å; I26-V71 HydrophobicContact CG2-CG2 3.49Å; I26-V71 VanDerWaalsContact CG2-CG2 3.49Å; W28-V71 HydrophobicContact CZ2-CG2 4.21Å; F43-V71 HydrophobicContact CD1-CG1 4.21Å; T63-V71 CarbonylContact O-C 3.55Å; T63-V71 WeakPolarHBondContact O-CA 3.11Å; V64-V71 HydrophobicContact CB-CG1 4.49Å; V64-V71 HydrophobicContact CG2-CG1 4.09Å
72	Y	97.1	Very high	95.4	Very high	49 Å²	49	50 Å²	50	19%	0.192	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142.1	179.4	-55.3	-95.2	0	0	0	110.4	K11 M12 S13 L62 T63 E65 T70	K11-Y72 HydrophobicContact CG-CD1 4.45Å; M12-Y72 CarbonylContact O-C 3.43Å; M12-Y72 WeakPolarHBondContact O-CA 3.44Å; M12-Y72 WeakPolarHBondContact O-CB 3.49Å; S13-Y72 VanDerWaalsContact CB-CD1 3.49Å; S13-Y72 VanDerWaalsContact CB-CE1 3.44Å; L62-Y72 WeakPolarHBondContact CA-O 3.32Å; T63-Y72 PolarHBondContact N-O 2.76Å; T63-Y72 PolarHBondContact O-N 3.26Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.5Å; E65-Y72 HydrophobicContact CB-CE2 3.84Å; E65-Y72 PolarHBondContact OE2-OH 3.2Å; T70-Y72 HydrophobicContact CG2-CD1 4.38Å; T70-Y72 HydrophobicContact CG2-CD2 4.3Å; T70-Y72 HydrophobicContact CG2-CE1 3.84Å; T70-Y72 HydrophobicContact CG2-CE2 3.74Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.47Å
73	L	97.9	Very high	95.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	117.9	167.8	168.5	66	0	0	0	107.7	K11 M12 W28 I40 A60 L62 L75 Y86	K11-L73 WeakPolarHBondContact CA-O 3.34Å; M12-L73 HydrophobicContact CB-CB 4.47Å; M12-L73 PolarHBondContact N-O 2.87Å; M12-L73 PolarHBondContact O-N 3.04Å; M12-L73 HydrophobicContact SD-CD2 4.08Å; W28-L73 HydrophobicContact CB-CD2 4.31Å; W28-L73 HydrophobicContact CD2-CB 3.57Å; W28-L73 HydrophobicContact CD2-CD2 3.86Å; W28-L73 HydrophobicContact CD2-CG 4.31Å; W28-L73 VanDerWaalsContact CE2-CB 3.5Å; W28-L73 HydrophobicContact CE3-CB 3.87Å; W28-L73 HydrophobicContact CE3-CD2 3.61Å; W28-L73 HydrophobicContact CE3-CG 4.39Å; W28-L73 HydrophobicContact CG-CB 4.08Å; W28-L73 HydrophobicContact CG-CD2 4.19Å; W28-L73 HydrophobicContact CH2-CB 4.02Å; W28-L73 HydrophobicContact CZ2-CB 3.74Å; W28-L73 HydrophobicContact CZ3-CB 4.09Å; W28-L73 HydrophobicContact CZ3-CD2 4.2Å; I40-L73 HydrophobicContact CD1-CD2 3.7Å; I40-L73 HydrophobicContact CG2-CD1 4.14Å; A60-L73 HydrophobicContact CB-CD1 3.77Å; L62-L73 HydrophobicContact CD2-CB 4.05Å; L62-L73 HydrophobicContact CD2-CD1 3.69Å; L62-L73 HydrophobicContact CD2-CG 4.47Å; L73-L75 HydrophobicContact CD1-CD2 3.99Å; L73-L75 HydrophobicContact CD1-CG 4.25Å; L73-L75 HydrophobicContact CD2-CD1 4.29Å; L73-L75 HydrophobicContact CD2-CD2 4.4Å; L73-L75 HydrophobicContact CD2-CG 4.24Å; L73-L75 HydrophobicContact CG-CD2 4.32Å; L73-L75 HydrophobicContact CG-CG 4.09Å; L73-Y86 HydrophobicContact CD2-CD1 4.05Å
74	E	98	Very high	95.4	Very high	72 Å²	72	48.2 Å²	48.2	34%	0.336	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	126	168.3	-174.4	175.6	171.2	0	0	109.3	V10 K11 A60 T61	V10-E74 CarbonylContact O-C 3.56Å; V10-E74 VanDerWaalsContact O-CA 3.28Å; V10-E74 WeakPolarHBondContact O-CA 3.45Å; K11-E74 HydrophobicContact CB-CB 4.49Å; K11-E74 HydrophobicContact CB-CG 4.44Å; K11-E74 HydrophobicContact CG-CB 4.4Å; A60-E74 CarbonylContact C-O 3.53Å; A60-E74 WeakPolarHBondContact CA-O 3.47Å; T61-E74 PolarHBondContact N-O 2.69Å; T61-E74 PolarHBondContact O-N 2.82Å
75	L	97.6	Very high	95.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.7	174	-63.4	166.4	0	0	0	108.4	S9 V10 A60 L73 L78 Y86	S9-L75 CarbonylContact C-O 3.59Å; S9-L75 WeakPolarHBondContact CA-O 3.4Å; S9-L75 WeakPolarHBondContact CB-O 3.38Å; V10-L75 HydrophobicContact CG1-CB 3.86Å; V10-L75 HydrophobicContact CG1-CD1 4.15Å; V10-L75 HydrophobicContact CG1-CG 4.43Å; V10-L75 PolarHBondContact N-O 2.78Å; V10-L75 PolarHBondContact O-N 3.17Å; A60-L75 HydrophobicContact CB-CD2 3.86Å; L73-L75 HydrophobicContact CD1-CD2 3.99Å; L73-L75 HydrophobicContact CD1-CG 4.25Å; L73-L75 HydrophobicContact CD2-CD1 4.29Å; L73-L75 HydrophobicContact CD2-CD2 4.4Å; L73-L75 HydrophobicContact CD2-CG 4.24Å; L73-L75 HydrophobicContact CG-CD2 4.32Å; L73-L75 HydrophobicContact CG-CG 4.09Å; L75-L78 HydrophobicContact CB-CD2 3.74Å; L75-L78 HydrophobicContact CD1-CD2 4.38Å; L75-Y86 HydrophobicContact CD1-CD1 4.01Å; L75-Y86 HydrophobicContact CD1-CE1 3.33Å; L75-Y86 HydrophobicContact CD1-CE2 4.19Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.42Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.32Å
76	S	97.4	Very high	95.7	Very high	26 Å²	26	43.5 Å²	43.5	18%	0.182	24%	0.238	C	C	.	.			trans	-105	157.4	-179.8	62.8	0	0	0	0	112.3	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.26Å; K59-S76 WeakPolarHBondContact CE-O 3.49Å; K59-S76 VanDerWaalsContact CG-O 3.27Å; K59-S76 WeakPolarHBondContact CG-O 3.34Å; K59-S76 PolarHBondContact O-N 2.65Å; K59-S76 PolarHBondContact O-OG 2.85Å; K59-S76 VanDerWaalsContact O-OG 3.09Å; S76-L78 PolarHBondContact O-N 2.77Å
77	R	96.3	Very high	96	Very high	168 Å²	168	41.5 Å²	41.5	63%	0.634	23%	0.228	S	C	*	.	S	Bend	trans	53.8	52.1	171.6	-58.6	175.3	-72.2	177.4	-2.4	111.9	A8 G58	A8-R77 PolarHBondContact O-N 3Å; G58-R77 PolarHBondContact O-NH2 2.94Å
78	L	96.6	Very high	96.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.195	C	C	.	.			trans	-63.8	142.8	-174.8	-68.1	173.5	0	0	0	112.3	V4 P6 G7 A8 V10 L75 S76 D82 V111 V113	V4-L78 HydrophobicContact CB-CD1 4.42Å; V4-L78 HydrophobicContact CG2-CD1 3.46Å; V4-L78 VanDerWaalsContact CG2-CD1 3.46Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.48Å; G7-L78 PolarHBondContact N-O 2.95Å; A8-L78 WeakPolarHBondContact O-CB 3.21Å; A8-L78 WeakPolarHBondContact O-CG 3.31Å; A8-L78 PolarHBondContact O-N 2.8Å; V10-L78 HydrophobicContact CB-CD1 4.09Å; V10-L78 HydrophobicContact CG1-CD1 3.73Å; V10-L78 HydrophobicContact CG1-CD2 4.34Å; L75-L78 HydrophobicContact CB-CD2 3.74Å; L75-L78 HydrophobicContact CD1-CD2 4.38Å; S76-L78 PolarHBondContact O-N 2.77Å; L78-D82 VanDerWaalsContact CA-OD2 3.26Å; L78-D82 WeakPolarHBondContact CA-OD2 3.43Å; L78-D82 HydrophobicContact CD2-CB 3.66Å; L78-V111 HydrophobicContact CD1-CG1 4.46Å; L78-V113 HydrophobicContact CB-CG1 4.18Å; L78-V113 HydrophobicContact CB-CG2 3.96Å; L78-V113 HydrophobicContact CD1-CG2 4.26Å
79	T	95.8	Very high	96.3	Very high	57 Å²	57	35.4 Å²	35.4	35%	0.35	19%	0.186	S	C	.	.			trans	-122.2	169.2	173.8	65.1	0	0	0	0	109.5	D81 D82 V113	T79-D81 PolarHBondContact O-N 2.89Å; T79-D81 VanDerWaalsContact O-N 3.08Å; T79-D82 PolarHBondContact N-OD2 2.78Å; T79-D82 WeakPolarHBondContact O-CB 3.4Å; T79-D82 PolarHBondContact O-N 2.85Å; T79-D82 PolarHBondContact OG1-OD2 2.98Å; T79-V113 VanDerWaalsContact O-CB 3.32Å; T79-V113 WeakPolarHBondContact O-CB 3.41Å; T79-V113 WeakPolarHBondContact O-CG2 3.37Å
80	S	94.3	Very high	96.2	Very high	79 Å²	79	35.3 Å²	35.3	55%	0.552	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-51	-34.2	175.6	50.1	0	0	0	0	112.8	D82 S83	S80-D82 PolarHBondContact O-N 3.16Å; S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 3.36Å; S80-S83 PolarHBondContact O-N 2.98Å; S80-S83 PolarHBondContact O-OG 2.86Å
81	D	92.7	Very high	95.9	Very high	120 Å²	120	34.9 Å²	34.9	64%	0.642	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-68	-15.5	-179.3	-62.1	-17.8	0	0	0	113.5	K30 T79 S83	K30-D81 PolarHBondContact NZ-O 2.81Å; T79-D81 PolarHBondContact O-N 2.89Å; T79-D81 VanDerWaalsContact O-N 3.08Å; D81-S83 VanDerWaalsContact C-N 3.27Å
82	D	94.9	Very high	95.3	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.032	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-83.2	-4	173.3	-56.9	-52.8	0	0	0	113.2	K30 K59 L78 T79 S80 A84 Y86 V113	K30-D82 IonicContact NZ-OD1 3.83Å; K59-D82 WeakPolarHBondContact CE-OD1 3.22Å; K59-D82 WeakPolarHBondContact CE-OD2 3.43Å; K59-D82 IonicContact NZ-OD1 3.17Å; K59-D82 PolarHBondContact NZ-OD1 2.93Å; K59-D82 IonicContact NZ-OD2 3.37Å; K59-D82 PolarHBondContact NZ-OD2 2.96Å; L78-D82 VanDerWaalsContact CA-OD2 3.26Å; L78-D82 WeakPolarHBondContact CA-OD2 3.43Å; L78-D82 HydrophobicContact CD2-CB 3.66Å; T79-D82 PolarHBondContact N-OD2 2.78Å; T79-D82 WeakPolarHBondContact O-CB 3.4Å; T79-D82 PolarHBondContact O-N 2.85Å; T79-D82 PolarHBondContact OG1-OD2 2.98Å; S80-D82 PolarHBondContact O-N 3.16Å; D82-A84 PolarHBondContact O-N 2.96Å; D82-Y86 WeakPolarHBondContact O-CE2 3.42Å; D82-Y86 PolarHBondContact O-OH 3.5Å; D82-V113 HydrophobicContact CB-CG2 4.19Å
83	S	96.1	Very high	94.1	Very high	28 Å²	28	40.8 Å²	40.8	20%	0.196	21%	0.206	C	C	.	.			trans	-64.7	110.2	173.7	-57.5	0	0	0	0	110.1	S80 D81 V111 V113	S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 3.36Å; S80-S83 PolarHBondContact O-N 2.98Å; S80-S83 PolarHBondContact O-OG 2.86Å; D81-S83 VanDerWaalsContact C-N 3.27Å; S83-V111 CarbonylContact C-O 3.59Å; S83-V111 VanDerWaalsContact CA-O 3.29Å; S83-V111 WeakPolarHBondContact CA-O 3.34Å; S83-V113 PolarHBondContact OG-N 3.18Å
84	A	96.9	Very high	92.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	171.1	-170.6	0	0	0	0	0	111.1	K30 Q31 D82 Y86 V111	K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.6Å; Q31-A84 WeakPolarHBondContact O-CA 3.27Å; Q31-A84 VanDerWaalsContact O-CB 3.26Å; Q31-A84 WeakPolarHBondContact O-CB 3.24Å; D82-A84 PolarHBondContact O-N 2.96Å; A84-Y86 HydrophobicContact CB-CD2 4.31Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; A84-V111 PolarHBondContact N-O 2.69Å; A84-V111 PolarHBondContact O-N 2.92Å
85	V	97.2	Very high	91	Very high	24 Å²	24	47.4 Å²	47.4	15%	0.145	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127.5	162.5	-168.8	0	0	0	0	108.4	Q31 Y87	Q31-V85 PolarHBondContact N-O 2.73Å; Q31-V85 PolarHBondContact O-N 2.83Å; V85-Y87 HydrophobicContact CB-CE2 3.72Å; V85-Y87 HydrophobicContact CG1-CD2 4.24Å; V85-Y87 HydrophobicContact CG1-CE1 3.88Å; V85-Y87 HydrophobicContact CG1-CE2 3.53Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.28Å
86	Y	97.5	Very high	89.2	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.008	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.9	179.3	-69.1	-95.8	0	0	0	109.4	M12 M29 K30 I40 L73 L75 D82 A84 G108 T109 V111	M12-Y86 HydrophobicContact CE-CD2 4.23Å; M12-Y86 HydrophobicContact CE-CG 3.96Å; M12-Y86 HydrophobicContact SD-CD1 4.28Å; M12-Y86 HydrophobicContact SD-CD2 4.2Å; M12-Y86 HydrophobicContact SD-CG 3.81Å; M29-Y86 CarbonylContact O-C 3.57Å; M29-Y86 WeakPolarHBondContact O-CA 3.45Å; K30-Y86 HydrophobicContact CB-CD1 4.2Å; K30-Y86 HydrophobicContact CB-CE1 3.98Å; K30-Y86 HydrophobicContact CD-CE1 4Å; K30-Y86 WeakPolarHBondContact CE-OH 3.49Å; K30-Y86 HydrophobicContact CG-CD1 4.24Å; K30-Y86 HydrophobicContact CG-CE1 3.71Å; I40-Y86 HydrophobicContact CD1-CD1 3.65Å; I40-Y86 HydrophobicContact CD1-CE1 3.79Å; L73-Y86 HydrophobicContact CD2-CD1 4.05Å; L75-Y86 HydrophobicContact CD1-CD1 4.01Å; L75-Y86 HydrophobicContact CD1-CE1 3.33Å; L75-Y86 HydrophobicContact CD1-CE2 4.19Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.42Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.32Å; D82-Y86 WeakPolarHBondContact O-CE2 3.42Å; D82-Y86 PolarHBondContact O-OH 3.5Å; A84-Y86 HydrophobicContact CB-CD2 4.31Å; A84-Y86 HydrophobicContact CB-CE2 3.8Å; Y86-G108 CarbonylContact O-C 3.5Å; Y86-G108 WeakPolarHBondContact O-CA 3.35Å; Y86-T109 PolarHBondContact N-O 3.25Å; Y86-T109 PolarHBondContact O-N 3.21Å; Y86-V111 HydrophobicContact CD2-CB 4.05Å; Y86-V111 HydrophobicContact CD2-CG2 3.77Å; Y86-V111 HydrophobicContact CE2-CB 3.84Å; Y86-V111 HydrophobicContact CE2-CG2 3.98Å
87	Y	97.1	Very high	87.6	Confident	47 Å²	47	54.2 Å²	54.2	18%	0.184	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	147	-178.7	-58.1	-90.6	0	0	0	109.6	W28 M29 Q31 L37 V85 W105 G106	W28-Y87 WeakPolarHBondContact CA-O 3.04Å; M29-Y87 PolarHBondContact N-O 2.86Å; M29-Y87 PolarHBondContact O-N 3.25Å; Q31-Y87 HydrophobicContact CB-CD2 4.3Å; Q31-Y87 HydrophobicContact CB-CE2 3.71Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.28Å; Q31-Y87 PolarHBondContact OE1-OH 3.19Å; L37-Y87 HydrophobicContact CD2-CD2 4.23Å; L37-Y87 HydrophobicContact CD2-CE2 4.48Å; V85-Y87 HydrophobicContact CB-CE2 3.72Å; V85-Y87 HydrophobicContact CG1-CD2 4.24Å; V85-Y87 HydrophobicContact CG1-CE1 3.88Å; V85-Y87 HydrophobicContact CG1-CE2 3.53Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.28Å; Y87-W105 HydrophobicContact CG-CE3 4.33Å; Y87-W105 HydrophobicContact CG-CZ3 4.49Å; Y87-G106 WeakPolarHBondContact CD1-O 3.38Å
88	C	96.6	Very high	85.9	Confident	14 Å²	14	52.2 Å²	52.2	10%	0.095	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	149.8	156.2	63.8	0	0	0	0	109.6	C14 I26 E27 W28 G106	C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.46Å; C14-C88 WeakPolarHBondContact SG-CB 3.4Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.87Å; I26-C88 HydrophobicContact CG2-CB 4.16Å; E27-C88 CarbonylContact O-C 3.52Å; E27-C88 WeakPolarHBondContact O-CA 3.35Å; W28-C88 HydrophobicContact CD2-CB 4.25Å; W28-C88 HydrophobicContact CE3-CB 4.22Å; W28-C88 HydrophobicContact CH2-CB 4.28Å; W28-C88 HydrophobicContact CZ2-CB 4.3Å; W28-C88 HydrophobicContact CZ3-CB 4.24Å; C88-G106 PolarHBondContact O-N 3.43Å
89	A	95.7	Very high	84.7	Confident	4 Å²	4	57 Å²	57	3%	0.033	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	156.3	173.8	0	0	0	0	0	111	I26 E27 F102 V104 W105	I26-A89 WeakPolarHBondContact CA-O 3.43Å; E27-A89 HydrophobicContact CB-CB 4.39Å; E27-A89 WeakPolarHBondContact CB-O 3.47Å; E27-A89 PolarHBondContact N-O 2.8Å; E27-A89 PolarHBondContact O-N 2.89Å; A89-F102 HydrophobicContact CB-CB 4.01Å; A89-F102 HydrophobicContact CB-CD1 4.25Å; A89-F102 HydrophobicContact CB-CG 4.18Å; A89-V104 CarbonylContact C-O 3.56Å; A89-V104 WeakPolarHBondContact CA-O 3.33Å; A89-V104 WeakPolarHBondContact CB-O 3.48Å; A89-W105 HydrophobicContact CB-CD2 3.7Å; A89-W105 HydrophobicContact CB-CE3 3.75Å; A89-W105 HydrophobicContact CB-CG 4.19Å; A89-W105 HydrophobicContact CB-CH2 4.34Å; A89-W105 HydrophobicContact CB-CZ2 4.32Å; A89-W105 HydrophobicContact CB-CZ3 4.07Å
90	R	93.9	Very high	83.7	Confident	34 Å²	34	59.1 Å²	59.1	13%	0.128	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	123.4	169.6	-174.8	175.4	72.8	179.8	3.7	108.9	Y24 F102 D103 V104	Y24-R90 HydrophobicContact CD2-CG 4.34Å; Y24-R90 HydrophobicContact CG-CG 3.99Å; R90-F102 WeakPolarHBondContact O-CA 3.37Å; R90-D103 IonicContact CZ-OD1 3.2Å; R90-D103 IonicContact CZ-OD2 2.82Å; R90-D103 IonicContact NE-OD1 3.89Å; R90-D103 PolarHBondContact NE-OD1 3.24Å; R90-D103 IonicContact NE-OD2 2.77Å; R90-D103 IonicContact NH2-OD1 2.55Å; R90-D103 PolarHBondContact NH2-OD1 3.07Å; R90-D103 VanDerWaalsContact NH2-OD1 3.17Å; R90-D103 IonicContact NH2-OD2 2.78Å; R90-D103 PolarHBondContact NH2-OD2 2.91Å; R90-D103 PolarHBondContact O-N 3.39Å; R90-V104 HydrophobicContact CB-CB 4.06Å; R90-V104 PolarHBondContact N-O 2.98Å
91	G	89.9	Confident	83.3	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	137.3	171.7	0	0	0	0	0	111.1	P25	P25-G91 WeakPolarHBondContact CD-O 3.31Å; P25-G91 PolarHBondContact O-N 3.43Å
92	R	82.8	Confident	83.2	Confident	78 Å²	78	55.7 Å²	55.7	29%	0.294	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127.4	178.8	-173.5	164.5	178.1	-164.9	3.3	111.3	Y24 Y101 D103	Y24-R92 HydrophobicContact CD1-CG 4.39Å; Y24-R92 HydrophobicContact CE1-CG 4.04Å; R92-Y101 HydrophobicContact CB-CE1 4.06Å; R92-Y101 HydrophobicContact CB-CE2 4.47Å; R92-Y101 VanDerWaalsContact CD-OH 3.24Å; R92-Y101 WeakPolarHBondContact CD-OH 3.23Å; R92-Y101 HydrophobicContact CG-CE1 4.06Å; R92-Y101 PolarHBondContact N-O 2.7Å; R92-Y101 PolarHBondContact NE-OH 3.34Å; R92-Y101 PolarHBondContact NH1-OH 3.34Å; R92-Y101 WeakPolarHBondContact O-CD1 3.46Å; R92-Y101 PolarHBondContact O-N 3.32Å; R92-D103 WeakPolarHBondContact CD-OD2 3.46Å; R92-D103 IonicContact NH1-OD2 3.57Å
93	D	70.9	Confident	82.9	Confident	97 Å²	97	57.8 Å²	57.8	52%	0.519	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	134.9	165.2	-99.5	-29.8	0	0	0	110.3	G95 W100	D93-G95 PolarHBondContact O-N 2.77Å; D93-G95 VanDerWaalsContact O-N 3.16Å; D93-W100 HydrophobicContact CB-CE3 4.26Å; D93-W100 HydrophobicContact CB-CZ3 3.93Å; D93-W100 VanDerWaalsContact CG-CE3 3.43Å; D93-W100 WeakPolarHBondContact OD1-CZ3 3.35Å; D93-W100 VanDerWaalsContact OD2-CZ3 3.27Å; D93-W100 WeakPolarHBondContact OD2-CZ3 3.31Å
94	Y	63	Low	82.7	Confident	137 Å²	137	59.8 Å²	59.8	54%	0.537	33%	0.326	S	S	.	.			trans	-85.5	50.9	169.9	-118.2	-67	0	0	0	111.5	S96 S97 Y101	Y94-S96 PolarHBondContact O-N 3.3Å; Y94-S97 PolarHBondContact O-N 2.83Å; Y94-Y101 HydrophobicContact CD2-CD1 4.17Å; Y94-Y101 AromaticContact CD2-CE1 3.22Å; Y94-Y101 HydrophobicContact CD2-CE1 3.22Å; Y94-Y101 AromaticContact CD2-CZ 3.69Å; Y94-Y101 WeakPolarHBondContact CD2-OH 3.12Å; Y94-Y101 AromaticContact CE2-CE1 3.63Å; Y94-Y101 HydrophobicContact CE2-CE1 3.63Å; Y94-Y101 AromaticContact CE2-CZ 3.56Å; Y94-Y101 WeakPolarHBondContact CE2-OH 3.26Å; Y94-Y101 HydrophobicContact CG-CE1 4.25Å
95	G	67.6	Low	82.6	Confident	73 Å²	73	64.7 Å²	64.7	75%	0.753	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	-100.4	175.2	0	0	0	0	0	113.5	D93	D93-G95 PolarHBondContact O-N 2.77Å; D93-G95 VanDerWaalsContact O-N 3.16Å
96	S	60.9	Low	82.5	Confident	130 Å²	130	64.9 Å²	64.9	91%	0.909	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-0.7	179.5	52	0	0	0	0	115.6	Y94	Y94-S96 PolarHBondContact O-N 3.3Å
97	S	62.5	Low	82.3	Confident	39 Å²	39	71.7 Å²	71.7	27%	0.273	39%	0.393	S	S	.	.	S	Bend	trans	-90.7	140.5	171.8	-159.3	0	0	0	0	110.9	Y94 D99	Y94-S97 PolarHBondContact O-N 2.83Å; S97-D99 PolarHBondContact O-N 3.41Å; S97-D99 VanDerWaalsContact O-N 3.12Å; S97-D99 PolarHBondContact OG-OD2 3.15Å
98	P	62.2	Low	82.3	Confident	127 Å²	127	70.4 Å²	70.4	83%	0.825	39%	0.394	S	S	*	.			trans	-71.1	4.9	172.4	31.4	-36.7	0	0	0	114	W100	P98-W100 PolarHBondContact O-N 3.1Å
99	D	69.4	Low	82.3	Confident	100 Å²	100	72.1 Å²	72.1	54%	0.535	40%	0.404	S	S	.	.			trans	-84.5	109	-174.1	-59.6	-42.3	0	0	0	111.7	S97	S97-D99 PolarHBondContact O-N 3.41Å; S97-D99 VanDerWaalsContact O-N 3.12Å; S97-D99 PolarHBondContact OG-OD2 3.15Å
100	W	76.6	Confident	82.3	Confident	103 Å²	103	74.4 Å²	74.4	39%	0.39	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	130.5	168.5	-168.3	-97.2	0	0	0	110.4	P25 E27 D93 P98 F102	P25-W100 HydrophobicContact CG-CH2 3.37Å; P25-W100 HydrophobicContact CG-CZ2 3.55Å; E27-W100 WeakPolarHBondContact OE1-CZ2 3.39Å; D93-W100 HydrophobicContact CB-CE3 4.26Å; D93-W100 HydrophobicContact CB-CZ3 3.93Å; D93-W100 VanDerWaalsContact CG-CE3 3.43Å; D93-W100 WeakPolarHBondContact OD1-CZ3 3.35Å; D93-W100 VanDerWaalsContact OD2-CZ3 3.27Å; D93-W100 WeakPolarHBondContact OD2-CZ3 3.31Å; P98-W100 PolarHBondContact O-N 3.1Å; W100-F102 AromaticContact CD1-CE1 3.87Å; W100-F102 AromaticContact NE1-CE1 3.46Å
101	Y	85.3	Confident	82.5	Confident	67 Å²	67	72.8 Å²	72.8	26%	0.263	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	164.5	176.4	67	-73.9	0	0	0	112.5	R92 Y94 D103	R92-Y101 HydrophobicContact CB-CE1 4.06Å; R92-Y101 HydrophobicContact CB-CE2 4.47Å; R92-Y101 VanDerWaalsContact CD-OH 3.24Å; R92-Y101 WeakPolarHBondContact CD-OH 3.23Å; R92-Y101 HydrophobicContact CG-CE1 4.06Å; R92-Y101 PolarHBondContact N-O 2.7Å; R92-Y101 PolarHBondContact NE-OH 3.34Å; R92-Y101 PolarHBondContact NH1-OH 3.34Å; R92-Y101 WeakPolarHBondContact O-CD1 3.46Å; R92-Y101 PolarHBondContact O-N 3.32Å; Y94-Y101 HydrophobicContact CD2-CD1 4.17Å; Y94-Y101 AromaticContact CD2-CE1 3.22Å; Y94-Y101 HydrophobicContact CD2-CE1 3.22Å; Y94-Y101 AromaticContact CD2-CZ 3.69Å; Y94-Y101 WeakPolarHBondContact CD2-OH 3.12Å; Y94-Y101 AromaticContact CE2-CE1 3.63Å; Y94-Y101 HydrophobicContact CE2-CE1 3.63Å; Y94-Y101 AromaticContact CE2-CZ 3.56Å; Y94-Y101 WeakPolarHBondContact CE2-OH 3.26Å; Y94-Y101 HydrophobicContact CG-CE1 4.25Å; Y101-D103 HydrophobicContact CD2-CB 4.01Å; Y101-D103 HydrophobicContact CE2-CB 3.71Å
102	F	90.3	Very high	82.8	Confident	60 Å²	60	75.3 Å²	75.3	26%	0.263	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	112.9	178.4	-53	-51.9	0	0	0	109.5	E27 M29 A89 R90 W100 W105	E27-F102 HydrophobicContact CB-CD1 4.18Å; E27-F102 HydrophobicContact CB-CE1 3.77Å; E27-F102 HydrophobicContact CB-CZ 4.49Å; E27-F102 HydrophobicContact CG-CD1 3.93Å; E27-F102 HydrophobicContact CG-CE1 3.48Å; E27-F102 VanDerWaalsContact CG-CE1 3.48Å; E27-F102 HydrophobicContact CG-CZ 4.5Å; M29-F102 HydrophobicContact CE-CE2 4.09Å; M29-F102 HydrophobicContact SD-CE2 4.03Å; M29-F102 HydrophobicContact SD-CZ 3.99Å; A89-F102 HydrophobicContact CB-CB 4.01Å; A89-F102 HydrophobicContact CB-CD1 4.25Å; A89-F102 HydrophobicContact CB-CG 4.18Å; R90-F102 WeakPolarHBondContact O-CA 3.37Å; W100-F102 AromaticContact CD1-CE1 3.87Å; W100-F102 AromaticContact NE1-CE1 3.46Å; F102-W105 HydrophobicContact CB-CH2 4.42Å; F102-W105 HydrophobicContact CB-CZ2 3.47Å; F102-W105 VanDerWaalsContact CB-CZ2 3.47Å; F102-W105 AromaticContact CD2-CH2 3.77Å; F102-W105 HydrophobicContact CD2-CH2 3.77Å; F102-W105 AromaticContact CD2-CZ2 3.41Å; F102-W105 HydrophobicContact CD2-CZ2 3.41Å; F102-W105 VanDerWaalsContact CD2-CZ2 3.41Å; F102-W105 HydrophobicContact CE2-CH2 4.37Å; F102-W105 HydrophobicContact CE2-CZ2 4.41Å; F102-W105 HydrophobicContact CG-CH2 4.31Å; F102-W105 AromaticContact CG-CZ2 3.76Å; F102-W105 HydrophobicContact CG-CZ2 3.76Å; F102-W105 PolarHBondContact O-NE1 3.05Å
103	D	88.2	Confident	83.4	Confident	50 Å²	50	72 Å²	72	27%	0.267	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-22.8	-173.4	62.8	-0.9	0	0	0	114.5	R90 R92 Y101	R90-D103 IonicContact CZ-OD1 3.2Å; R90-D103 IonicContact CZ-OD2 2.82Å; R90-D103 IonicContact NE-OD1 3.89Å; R90-D103 PolarHBondContact NE-OD1 3.24Å; R90-D103 IonicContact NE-OD2 2.77Å; R90-D103 IonicContact NH2-OD1 2.55Å; R90-D103 PolarHBondContact NH2-OD1 3.07Å; R90-D103 VanDerWaalsContact NH2-OD1 3.17Å; R90-D103 IonicContact NH2-OD2 2.78Å; R90-D103 PolarHBondContact NH2-OD2 2.91Å; R90-D103 PolarHBondContact O-N 3.39Å; R92-D103 WeakPolarHBondContact CD-OD2 3.46Å; R92-D103 IonicContact NH1-OD2 3.57Å; Y101-D103 HydrophobicContact CD2-CB 4.01Å; Y101-D103 HydrophobicContact CE2-CB 3.71Å
104	V	91.6	Very high	84.6	Confident	69 Å²	69	70 Å²	70	42%	0.418	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.3	176.1	-178.3	0	0	0	0	109.1	A89 R90	A89-V104 CarbonylContact C-O 3.56Å; A89-V104 WeakPolarHBondContact CA-O 3.33Å; A89-V104 WeakPolarHBondContact CB-O 3.48Å; R90-V104 HydrophobicContact CB-CB 4.06Å; R90-V104 PolarHBondContact N-O 2.98Å
105	W	94.9	Very high	85.6	Confident	103 Å²	103	70.8 Å²	70.8	39%	0.39	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.6	-179	-69.1	78.1	0	0	0	110.9	M29 L37 Y87 A89 F102	M29-W105 HydrophobicContact CB-CZ3 4.1Å; M29-W105 HydrophobicContact CG-CH2 3.87Å; M29-W105 HydrophobicContact CG-CZ3 3.73Å; L37-W105 HydrophobicContact CD1-CH2 3.88Å; L37-W105 HydrophobicContact CD1-CZ3 4.38Å; Y87-W105 HydrophobicContact CG-CE3 4.33Å; Y87-W105 HydrophobicContact CG-CZ3 4.49Å; A89-W105 HydrophobicContact CB-CD2 3.7Å; A89-W105 HydrophobicContact CB-CE3 3.75Å; A89-W105 HydrophobicContact CB-CG 4.19Å; A89-W105 HydrophobicContact CB-CH2 4.34Å; A89-W105 HydrophobicContact CB-CZ2 4.32Å; A89-W105 HydrophobicContact CB-CZ3 4.07Å; F102-W105 HydrophobicContact CB-CH2 4.42Å; F102-W105 HydrophobicContact CB-CZ2 3.47Å; F102-W105 VanDerWaalsContact CB-CZ2 3.47Å; F102-W105 AromaticContact CD2-CH2 3.77Å; F102-W105 HydrophobicContact CD2-CH2 3.77Å; F102-W105 AromaticContact CD2-CZ2 3.41Å; F102-W105 HydrophobicContact CD2-CZ2 3.41Å; F102-W105 VanDerWaalsContact CD2-CZ2 3.41Å; F102-W105 HydrophobicContact CE2-CH2 4.37Å; F102-W105 HydrophobicContact CE2-CZ2 4.41Å; F102-W105 HydrophobicContact CG-CH2 4.31Å; F102-W105 AromaticContact CG-CZ2 3.76Å; F102-W105 HydrophobicContact CG-CZ2 3.76Å; F102-W105 PolarHBondContact O-NE1 3.05Å
106	G	95.3	Very high	86.5	Confident	29 Å²	29	70.7 Å²	70.7	30%	0.299	42%	0.419	S	S	.	.			trans	-68.7	161.5	163.4	0	0	0	0	0	111.1	Y87 C88 G108	Y87-G106 WeakPolarHBondContact CD1-O 3.38Å; C88-G106 PolarHBondContact O-N 3.43Å; G106-G108 PolarHBondContact O-N 3.19Å; G106-G108 VanDerWaalsContact O-N 3.11Å
107	T	94.8	Very high	87.9	Confident	144 Å²	144	67.5 Å²	67.5	88%	0.883	39%	0.393	S	S	*	.			trans	-65.6	-14.1	178.6	55.5	0	0	0	0	113.7
108	G	95.5	Very high	89.3	Confident	20 Å²	20	69.1 Å²	69.1	21%	0.206	40%	0.4	C	S	.	.			trans	82.2	155.6	-175.3	0	0	0	0	0	113.1	Y86 G106	Y86-G108 CarbonylContact O-C 3.5Å; Y86-G108 WeakPolarHBondContact O-CA 3.35Å; G106-G108 PolarHBondContact O-N 3.19Å; G106-G108 VanDerWaalsContact O-N 3.11Å
109	T	96.7	Very high	90.9	Very high	50 Å²	50	65.7 Å²	65.7	31%	0.307	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	118	175.3	-66.8	0	0	0	0	108.5	M12 Y86 V111	M12-T109 HydrophobicContact CE-CG2 3.59Å; Y86-T109 PolarHBondContact N-O 3.25Å; Y86-T109 PolarHBondContact O-N 3.21Å; T109-V111 PolarHBondContact O-N 3.49Å
110	T	96.8	Very high	92.3	Very high	52 Å²	52	63.6 Å²	63.6	32%	0.319	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	124.9	172.4	-48.6	0	0	0	0	109.9	A1 E2	A1-T110 CarbonylContact C-O 3.51Å; A1-T110 WeakPolarHBondContact CA-O 2.9Å; E2-T110 PolarHBondContact N-O 3Å
111	V	96.7	Very high	93.3	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.4	167.9	178.2	0	0	0	0	107.3	E2 V4 V10 M12 L78 S83 A84 Y86 T109 V113	E2-V111 CarbonylContact O-C 3.37Å; E2-V111 WeakPolarHBondContact O-CA 3.36Å; V4-V111 HydrophobicContact CG2-CG1 4.15Å; V10-V111 HydrophobicContact CG1-CG1 4.46Å; V10-V111 HydrophobicContact CG2-CG2 4.45Å; M12-V111 HydrophobicContact CE-CG2 4.11Å; M12-V111 HydrophobicContact SD-CG2 4.27Å; L78-V111 HydrophobicContact CD1-CG1 4.46Å; S83-V111 CarbonylContact C-O 3.59Å; S83-V111 VanDerWaalsContact CA-O 3.29Å; S83-V111 WeakPolarHBondContact CA-O 3.34Å; A84-V111 PolarHBondContact N-O 2.69Å; A84-V111 PolarHBondContact O-N 2.92Å; Y86-V111 HydrophobicContact CD2-CB 4.05Å; Y86-V111 HydrophobicContact CD2-CG2 3.77Å; Y86-V111 HydrophobicContact CE2-CB 3.84Å; Y86-V111 HydrophobicContact CE2-CG2 3.98Å; T109-V111 PolarHBondContact O-N 3.49Å; V111-V113 HydrophobicContact CG1-CG2 4.31Å
112	T	96.8	Very high	93.9	Very high	54 Å²	54	60.5 Å²	60.5	33%	0.331	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.6	176.9	-58.1	0	0	0	0	108.7	E2 L3 V4	E2-T112 PolarHBondContact O-N 3.38Å; L3-T112 WeakPolarHBondContact CA-O 3.41Å; L3-T112 HydrophobicContact CD1-CG2 3.83Å; V4-T112 PolarHBondContact N-O 3.2Å
113	V	96.4	Very high	94.1	Very high	8 Å²	8	60.5 Å²	60.5	5%	0.048	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	106.1	-179.3	-169.9	0	0	0	0	108.6	V4 P6 L78 T79 D82 S83 V111	V4-V113 HydrophobicContact CG2-CB 4.38Å; V4-V113 HydrophobicContact CG2-CG1 4.45Å; V4-V113 HydrophobicContact CG2-CG2 3.82Å; V4-V113 VanDerWaalsContact O-CA 3.31Å; V4-V113 WeakPolarHBondContact O-CA 3.43Å; P6-V113 HydrophobicContact CB-CG1 4.4Å; P6-V113 HydrophobicContact CG-CG1 4.15Å; L78-V113 HydrophobicContact CB-CG1 4.18Å; L78-V113 HydrophobicContact CB-CG2 3.96Å; L78-V113 HydrophobicContact CD1-CG2 4.26Å; T79-V113 VanDerWaalsContact O-CB 3.32Å; T79-V113 WeakPolarHBondContact O-CB 3.41Å; T79-V113 WeakPolarHBondContact O-CG2 3.37Å; D82-V113 HydrophobicContact CB-CG2 4.19Å; S83-V113 PolarHBondContact OG-N 3.18Å; V111-V113 HydrophobicContact CG1-CG2 4.31Å
114	S	94.3	Very high	94.6	Very high	55 Å²	55	61.4 Å²	61.4	39%	0.385	39%	0.388	S	S	.	.			trans	-143.9	151.5	-179.8	67.9	0	0	0	0	112	L3 V4	L3-S114 WeakPolarHBondContact CD1-OG 3.29Å; V4-S114 PolarHBondContact O-N 2.83Å
115	S	86	Confident	94.9	Very high	153 Å²	153	60.7 Å²	60.7	100%	1.07	39%	0.385	S	S	*	.			trans	-76.4	0	175.7	55.5	0	0	0	0	112.8

Retrieved 115 of 115 residues in 35.3 ms (Link to these results)

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