X5J517_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J517, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 aa.

						>X5J517_MOUSE|X5J517
AELAKPGASVKMSCKASGYTFTSYWMHWVKQRPGQGLEWIGYINPSTGYTEYNQKFKDKATLTADKSSSTAYMQLSSLTSEDSAVYYCARSRVTTVFDYWGQGTTLTVSS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	A	78.9	Confident	93.5	Very high	114 Å²	114	78.4 Å²	78.4	94%	0.942	48%	0.475	S	S	*	.				0	140.5	0	0	0	0	0	0	107.4	T105	A1-T105 CarbonylContact C-O 3.55Å; A1-T105 WeakPolarHBondContact CA-O 3.31Å
2	E	88.3	Confident	93.7	Very high	95 Å²	95	72.7 Å²	72.7	44%	0.444	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	136.9	-179.1	-164.7	86.5	166.8	0	0	109.8	V10 T105 L106 T107	E2-V10 HydrophobicContact CB-CG2 4.36Å; E2-V10 HydrophobicContact CG-CG2 3.62Å; E2-T105 PolarHBondContact N-O 3.16Å; E2-L106 HydrophobicContact CB-CD1 3.85Å; E2-L106 HydrophobicContact CG-CD1 4.1Å; E2-L106 WeakPolarHBondContact O-CA 3.3Å; E2-T107 PolarHBondContact O-N 2.88Å
3	L	92.6	Very high	94	Very high	126 Å²	126	72.9 Å²	72.9	66%	0.66	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	125.6	171.7	-176	66	0	0	0	109	T107	L3-T107 HydrophobicContact CD1-CG2 4.04Å
4	A	94.3	Very high	94.2	Very high	14 Å²	14	68.7 Å²	68.7	12%	0.116	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	154.8	-179.4	0	0	0	0	0	111.6	L78 L106 T107 V108 S109	A4-L78 HydrophobicContact CB-CD1 3.51Å; A4-L106 HydrophobicContact CB-CD1 4.09Å; A4-T107 PolarHBondContact N-O 2.66Å; A4-V108 VanDerWaalsContact O-CA 3.31Å; A4-V108 WeakPolarHBondContact O-CA 3.23Å; A4-S109 PolarHBondContact O-N 2.79Å; A4-S109 VanDerWaalsContact O-N 3.1Å
5	K	95.3	Very high	94.3	Very high	145 Å²	145	74.7 Å²	74.7	63%	0.63	44%	0.439	S	S	*	.			trans	-89.5	152.9	171.2	-64.8	-171.6	178.4	-172.6	0	110.6	G7 A8	K5-G7 PolarHBondContact O-N 3.04Å; K5-A8 WeakPolarHBondContact O-CB 3.49Å; K5-A8 PolarHBondContact O-N 3.26Å; K5-A8 VanDerWaalsContact O-N 3.13Å
6	P	96.6	Very high	94.3	Very high	75 Å²	75	70.6 Å²	70.6	49%	0.487	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	140.4	169.5	-25.8	34.1	0	0	0	112	A8 L78 V108 S109	P6-A8 PolarHBondContact O-N 3.26Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.34Å; P6-V108 HydrophobicContact CG-CG1 4.17Å; P6-S109 WeakPolarHBondContact CD-O 3.34Å
7	G	95.4	Very high	94.1	Very high	56 Å²	56	72.4 Å²	72.4	58%	0.577	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	-14.2	-176.9	0	0	0	0	0	115.1	K5 L78	K5-G7 PolarHBondContact O-N 3.04Å; G7-L78 PolarHBondContact N-O 2.95Å
8	A	96.5	Very high	93.9	Very high	38 Å²	38	73.3 Å²	73.3	31%	0.314	46%	0.46	S	S	.	.			trans	-69.6	171.4	176.2	0	0	0	0	0	112	K5 P6 S77 L78	K5-A8 WeakPolarHBondContact O-CB 3.49Å; K5-A8 PolarHBondContact O-N 3.26Å; K5-A8 VanDerWaalsContact O-N 3.13Å; P6-A8 PolarHBondContact O-N 3.26Å; A8-S77 PolarHBondContact O-N 2.8Å; A8-L78 WeakPolarHBondContact O-CB 3.43Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.28Å; A8-L78 PolarHBondContact O-N 2.87Å
9	S	96.8	Very high	93.7	Very high	67 Å²	67	72.3 Å²	72.3	47%	0.469	45%	0.447	S	S	.	.			trans	-118.6	145.9	168.9	-59.8	0	0	0	0	110	L75 S76	S9-L75 CarbonylContact C-O 3.52Å; S9-L75 WeakPolarHBondContact CA-O 3.26Å; S9-L75 WeakPolarHBondContact CB-O 3.47Å; S9-S76 WeakPolarHBondContact OG-CA 3.19Å
10	V	96.9	Very high	93.7	Very high	7 Å²	7	73 Å²	73	4%	0.042	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.8	175.4	62.6	0	0	0	0	109.7	E2 M12 Q74 L75 L78 L106	E2-V10 HydrophobicContact CB-CG2 4.36Å; E2-V10 HydrophobicContact CG-CG2 3.62Å; V10-M12 HydrophobicContact CG2-CG 4.23Å; V10-Q74 CarbonylContact O-C 3.39Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.28Å; V10-L75 HydrophobicContact CG1-CB 3.97Å; V10-L75 HydrophobicContact CG1-CD1 4.29Å; V10-L75 PolarHBondContact N-O 2.85Å; V10-L75 PolarHBondContact O-N 3.11Å; V10-L78 HydrophobicContact CB-CD1 4.18Å; V10-L78 HydrophobicContact CG1-CD1 3.89Å; V10-L78 HydrophobicContact CG1-CD2 4.3Å; V10-L106 HydrophobicContact CG1-CD1 4.19Å; V10-L106 HydrophobicContact CG1-CD2 3.91Å; V10-L106 HydrophobicContact CG2-CD1 4.49Å
11	K	97	Very high	93.7	Very high	125 Å²	125	69.8 Å²	69.8	54%	0.543	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.8	172.2	-174	176.5	-180	177.8	0	110	Y72	K11-Y72 HydrophobicContact CD-CD1 4.38Å; K11-Y72 VanDerWaalsContact CE-CD1 3.45Å; K11-Y72 VanDerWaalsContact CE-CG 3.44Å; K11-Y72 HydrophobicContact CG-CD1 4.32Å
12	M	96.4	Very high	94.5	Very high	10 Å²	10	66.9 Å²	66.9	5%	0.049	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	145.4	179.6	-48.5	-175.8	84.2	0	0	109.3	V10 W28 Y72 M73 Y86 T104	V10-M12 HydrophobicContact CG2-CG 4.23Å; M12-W28 HydrophobicContact CB-CH2 4.15Å; M12-W28 HydrophobicContact CB-CZ3 4.06Å; M12-Y72 CarbonylContact O-C 3.52Å; M12-Y72 WeakPolarHBondContact O-CA 3.45Å; M12-Y72 WeakPolarHBondContact O-CB 3.45Å; M12-M73 HydrophobicContact CG-CE 4.27Å; M12-M73 PolarHBondContact N-O 3.27Å; M12-M73 PolarHBondContact O-N 2.78Å; M12-M73 HydrophobicContact SD-CE 3.45Å; M12-M73 WeakPolarHBondContact SD-CE 3.45Å; M12-Y86 HydrophobicContact CE-CD2 4.13Å; M12-Y86 HydrophobicContact CE-CG 4.19Å; M12-Y86 HydrophobicContact SD-CD1 4.47Å; M12-Y86 HydrophobicContact SD-CD2 4.05Å; M12-Y86 HydrophobicContact SD-CG 3.85Å; M12-T104 HydrophobicContact CE-CG2 3.29Å
13	S	97	Very high	94.8	Very high	76 Å²	76	65.1 Å²	65.1	53%	0.531	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	149.6	-179.5	66.2	0	0	0	0	111.8	A71 Y72	S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.29Å; S13-Y72 VanDerWaalsContact CB-CD1 3.49Å; S13-Y72 VanDerWaalsContact CB-CE1 3.46Å
14	C	96.7	Very high	94.8	Very high	14 Å²	14	60.3 Å²	60.3	10%	0.095	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	103.7	173.7	179.6	0	0	0	0	108.7	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.85Å; C14-W28 HydrophobicContact CB-CZ2 3.93Å; C14-T70 WeakPolarHBondContact O-CA 3.44Å; C14-A71 PolarHBondContact N-O 3.02Å; C14-A71 PolarHBondContact O-N 2.94Å; C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 2.91Å; C14-C88 WeakPolarHBondContact SG-CB 3.43Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.43Å
15	K	96.3	Very high	94.9	Very high	158 Å²	158	63.6 Å²	63.6	69%	0.687	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	123	-178.2	-174	172.3	-176.4	178.2	0	110.4	T70	K15-T70 HydrophobicContact CB-CG2 4.47Å
16	A	93.6	Very high	95	Very high	9 Å²	9	56.8 Å²	56.8	7%	0.074	35%	0.353	C	S	.	.			trans	-73.7	144.2	173.5	0	0	0	0	0	111	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CD1 4.49Å; A16-Y19 HydrophobicContact CB-CE1 3.7Å; A16-Y19 HydrophobicContact CB-CE2 3.86Å; A16-Y19 VanDerWaalsContact CB-OH 3.25Å; A16-Y19 WeakPolarHBondContact CB-OH 3.47Å; A16-F21 HydrophobicContact CB-CB 3.97Å; A16-F21 HydrophobicContact CB-CD2 3.53Å; A16-F21 HydrophobicContact CB-CE2 4.34Å; A16-F21 HydrophobicContact CB-CG 4.03Å; A16-S69 WeakPolarHBondContact CB-O 3.42Å; A16-S69 PolarHBondContact N-O 3.03Å
17	S	91.4	Very high	95	Very high	102 Å²	102	54 Å²	54	71%	0.713	33%	0.333	S	S	*	.			trans	-146.2	139.6	173.8	63	0	0	0	0	110.4	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.4Å; S17-Y19 WeakPolarHBondContact O-CE1 3.36Å
18	G	90.4	Very high	95.1	Very high	88 Å²	88	51.5 Å²	51.5	91%	0.907	31%	0.307	S	S	*	.	S	Bend	trans	77.8	17.3	177.1	0	0	0	0	0	115.7
19	Y	89.4	Confident	95.2	Very high	54 Å²	54	49.9 Å²	49.9	21%	0.212	29%	0.293	C	S	.	.	S	Bend	trans	-159.9	163.4	174.8	63.3	-81.9	0	0	0	112.7	A16 S17 F21 Y24 M26	A16-Y19 HydrophobicContact CB-CD1 4.49Å; A16-Y19 HydrophobicContact CB-CE1 3.7Å; A16-Y19 HydrophobicContact CB-CE2 3.86Å; A16-Y19 VanDerWaalsContact CB-OH 3.25Å; A16-Y19 WeakPolarHBondContact CB-OH 3.47Å; S17-Y19 WeakPolarHBondContact O-CD1 3.4Å; S17-Y19 WeakPolarHBondContact O-CE1 3.36Å; Y19-F21 PolarHBondContact O-N 2.68Å; Y19-F21 VanDerWaalsContact O-N 3.09Å; Y19-Y24 AromaticContact CD2-CD2 3.33Å; Y19-Y24 HydrophobicContact CD2-CD2 3.33Å; Y19-Y24 AromaticContact CD2-CE2 3.43Å; Y19-Y24 HydrophobicContact CD2-CE2 3.43Å; Y19-Y24 VanDerWaalsContact CD2-CE2 3.43Å; Y19-Y24 HydrophobicContact CD2-CG 4.15Å; Y19-Y24 AromaticContact CE2-CD2 3.68Å; Y19-Y24 HydrophobicContact CE2-CD2 3.68Å; Y19-Y24 HydrophobicContact CE2-CE2 4.19Å; Y19-Y24 HydrophobicContact CE2-CG 4.08Å; Y19-Y24 HydrophobicContact CG-CD2 4.36Å; Y19-Y24 HydrophobicContact CG-CE2 4.06Å; Y19-M26 WeakPolarHBondContact OH-CE 3.33Å
20	T	93.8	Very high	95.2	Very high	87 Å²	87	46.8 Å²	46.8	53%	0.534	27%	0.271	S	S	.	.			trans	-70.2	100.9	171.6	-51.6	0	0	0	0	110.3	T22 S23 Y24	T20-T22 VanDerWaalsContact C-N 3.26Å; T20-T22 PolarHBondContact O-N 3.05Å; T20-S23 WeakPolarHBondContact CB-OG 3.49Å; T20-S23 WeakPolarHBondContact CG2-OG 3.31Å; T20-S23 WeakPolarHBondContact O-CB 3.48Å; T20-S23 PolarHBondContact O-N 3.24Å; T20-Y24 WeakPolarHBondContact O-CD2 3.35Å
21	F	94.9	Very high	95.2	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.026	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-52.9	-39.3	-175.1	175	-124.9	0	0	0	113.9	A16 Y19 S23 Y24 M26 P45 A64 A71	A16-F21 HydrophobicContact CB-CB 3.97Å; A16-F21 HydrophobicContact CB-CD2 3.53Å; A16-F21 HydrophobicContact CB-CE2 4.34Å; A16-F21 HydrophobicContact CB-CG 4.03Å; Y19-F21 PolarHBondContact O-N 2.68Å; Y19-F21 VanDerWaalsContact O-N 3.09Å; F21-S23 PolarHBondContact O-N 3.03Å; F21-Y24 PolarHBondContact O-N 2.76Å; F21-M26 HydrophobicContact CD2-CE 4.4Å; F21-M26 HydrophobicContact CE2-CE 4Å; F21-P45 HydrophobicContact CD1-CB 3.85Å; F21-P45 HydrophobicContact CD1-CG 4.31Å; F21-P45 HydrophobicContact CD2-CG 4.21Å; F21-P45 HydrophobicContact CE1-CB 3.45Å; F21-P45 VanDerWaalsContact CE1-CB 3.45Å; F21-P45 HydrophobicContact CE1-CG 3.87Å; F21-P45 HydrophobicContact CE2-CB 4.26Å; F21-P45 HydrophobicContact CE2-CG 3.73Å; F21-P45 HydrophobicContact CG-CB 4.43Å; F21-P45 HydrophobicContact CG-CG 4.49Å; F21-P45 HydrophobicContact CZ-CB 3.68Å; F21-P45 HydrophobicContact CZ-CG 3.55Å; F21-A64 HydrophobicContact CE1-CB 4.14Å; F21-A64 HydrophobicContact CZ-CB 4.11Å; F21-A71 HydrophobicContact CE2-CB 4.24Å; F21-A71 HydrophobicContact CZ-CB 3.96Å
22	T	95.4	Very high	95.1	Very high	52 Å²	52	46 Å²	46	32%	0.319	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-72.7	-9.8	-179.2	53	0	0	0	0	114.3	T20 Y24 S46 K66	T20-T22 VanDerWaalsContact C-N 3.26Å; T20-T22 PolarHBondContact O-N 3.05Å; T22-Y24 VanDerWaalsContact C-N 3.32Å; T22-S46 WeakPolarHBondContact O-CB 3.45Å; T22-K66 HydrophobicContact CG2-CD 4.49Å; T22-K66 HydrophobicContact CG2-CG 4.17Å
23	S	93.4	Very high	94.9	Very high	59 Å²	59	51.3 Å²	51.3	41%	0.413	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-88.7	5.4	177.4	-52.4	0	0	0	0	113.9	T20 F21 R92	T20-S23 WeakPolarHBondContact CB-OG 3.49Å; T20-S23 WeakPolarHBondContact CG2-OG 3.31Å; T20-S23 WeakPolarHBondContact O-CB 3.48Å; T20-S23 PolarHBondContact O-N 3.24Å; F21-S23 PolarHBondContact O-N 3.03Å; S23-R92 PolarHBondContact O-NE 2.85Å
24	Y	93.8	Very high	94.6	Very high	25 Å²	25	52.2 Å²	52.2	10%	0.098	32%	0.323	C	S	.	.	S	Bend	trans	-134.2	149.7	-176.6	-67.8	-98.8	0	0	0	110.3	Y19 T20 F21 T22 P45 R90 S91 R92	Y19-Y24 AromaticContact CD2-CD2 3.33Å; Y19-Y24 HydrophobicContact CD2-CD2 3.33Å; Y19-Y24 AromaticContact CD2-CE2 3.43Å; Y19-Y24 HydrophobicContact CD2-CE2 3.43Å; Y19-Y24 VanDerWaalsContact CD2-CE2 3.43Å; Y19-Y24 HydrophobicContact CD2-CG 4.15Å; Y19-Y24 AromaticContact CE2-CD2 3.68Å; Y19-Y24 HydrophobicContact CE2-CD2 3.68Å; Y19-Y24 HydrophobicContact CE2-CE2 4.19Å; Y19-Y24 HydrophobicContact CE2-CG 4.08Å; Y19-Y24 HydrophobicContact CG-CD2 4.36Å; Y19-Y24 HydrophobicContact CG-CE2 4.06Å; T20-Y24 WeakPolarHBondContact O-CD2 3.35Å; F21-Y24 PolarHBondContact O-N 2.76Å; T22-Y24 VanDerWaalsContact C-N 3.32Å; Y24-P45 WeakPolarHBondContact O-CD 2.94Å; Y24-R90 HydrophobicContact CD1-CB 4.13Å; Y24-R90 HydrophobicContact CD1-CG 3.92Å; Y24-R90 HydrophobicContact CE1-CG 4.34Å; Y24-R90 HydrophobicContact CG-CB 4.44Å; Y24-S91 CarbonylContact C-O 3.53Å; Y24-S91 VanDerWaalsContact CA-O 3.26Å; Y24-S91 WeakPolarHBondContact CA-O 3.48Å; Y24-S91 WeakPolarHBondContact CB-O 3.29Å; Y24-S91 WeakPolarHBondContact CD1-O 3.49Å; Y24-R92 HydrophobicContact CD1-CG 3.53Å; Y24-R92 HydrophobicContact CE1-CG 3.54Å; Y24-R92 VanDerWaalsContact CE1-NE 3.28Å; Y24-R92 VanDerWaalsContact CE2-NH2 3.28Å; Y24-R92 HydrophobicContact CG-CG 4.16Å; Y24-R92 PolarHBondContact OH-NE 2.97Å; Y24-R92 PolarHBondContact OH-NH2 3.16Å
25	W	95.6	Very high	94.4	Very high	82 Å²	82	56.4 Å²	56.4	31%	0.311	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	142.9	164.3	-55.6	-19.8	0	0	0	109.2	Y42 N44 R90 S91	W25-Y42 HydrophobicContact CB-CD2 3.94Å; W25-Y42 HydrophobicContact CB-CE2 4.48Å; W25-Y42 HydrophobicContact CB-CG 4.47Å; W25-Y42 HydrophobicContact CD2-CD2 4.29Å; W25-Y42 AromaticContact CD2-CE2 3.97Å; W25-Y42 HydrophobicContact CD2-CE2 3.97Å; W25-Y42 HydrophobicContact CE3-CD2 4.44Å; W25-Y42 HydrophobicContact CE3-CE1 4.47Å; W25-Y42 HydrophobicContact CE3-CE2 4.12Å; W25-Y42 HydrophobicContact CG-CD2 4.1Å; W25-Y42 HydrophobicContact CG-CE2 4.14Å; W25-N44 PolarHBondContact NE1-ND2 3.41Å; W25-R90 WeakPolarHBondContact O-CA 3.48Å; W25-S91 PolarHBondContact N-O 2.78Å; W25-S91 PolarHBondContact O-N 2.92Å
26	M	96.9	Very high	94.3	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	112.8	177.1	-166	58.3	60.9	0	0	109.5	Y19 F21 Y42 I43 A71 C88 R90	Y19-M26 WeakPolarHBondContact OH-CE 3.33Å; F21-M26 HydrophobicContact CD2-CE 4.4Å; F21-M26 HydrophobicContact CE2-CE 4Å; M26-Y42 CarbonylContact O-C 3.55Å; M26-Y42 WeakPolarHBondContact O-CA 3.49Å; M26-Y42 WeakPolarHBondContact O-CB 3.23Å; M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 2.96Å; M26-I43 PolarHBondContact O-N 2.7Å; M26-A71 HydrophobicContact CB-CB 3.96Å; M26-A71 HydrophobicContact CG-CB 3.55Å; M26-C88 HydrophobicContact CG-CB 4.45Å; M26-C88 HydrophobicContact SD-CB 3.96Å; M26-R90 HydrophobicContact CE-CB 4.11Å
27	H	97.3	Very high	94.4	Very high	16 Å²	16	55.7 Å²	55.7	7%	0.074	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	152	179.8	-65.4	-110.2	0	0	0	110.9	W39 G41 Y42 C88 A89 S91 F97	H27-W39 AromaticContact CG-NE1 3.93Å; H27-W39 AromaticContact ND1-CD1 3.95Å; H27-W39 AromaticContact ND1-CE2 3.95Å; H27-W39 AromaticContact ND1-NE1 3.16Å; H27-W39 PolarHBondContact ND1-NE1 2.93Å; H27-W39 VanDerWaalsContact ND1-NE1 3.16Å; H27-G41 WeakPolarHBondContact CA-O 3.48Å; H27-Y42 AromaticContact CE1-CD1 3.75Å; H27-Y42 AromaticContact CE1-CG 3.92Å; H27-C88 CarbonylContact O-C 3.56Å; H27-C88 WeakPolarHBondContact O-CA 3.42Å; H27-A89 WeakPolarHBondContact CB-O 3.43Å; H27-A89 PolarHBondContact N-O 3.27Å; H27-A89 PolarHBondContact O-N 3.43Å; H27-S91 PolarHBondContact CD2-OG 2.81Å; H27-S91 VanDerWaalsContact CD2-OG 3.31Å; H27-S91 PolarHBondContact NE2-OG 3.32Å; H27-F97 HydrophobicContact CB-CD1 4.31Å; H27-F97 HydrophobicContact CB-CE1 3.43Å; H27-F97 VanDerWaalsContact CB-CE1 3.43Å; H27-F97 HydrophobicContact CB-CZ 4.24Å; H27-F97 AromaticContact CD2-CE1 3.92Å; H27-F97 AromaticContact CG-CE1 3.36Å; H27-F97 AromaticContact CG-CZ 3.93Å; H27-F97 AromaticContact ND1-CE1 3.54Å; H27-F97 AromaticContact ND1-CZ 3.59Å
28	W	98.1	Very high	94.6	Very high	5 Å²	5	52.4 Å²	52.4	2%	0.019	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.2	173.6	-68.1	88.8	0	0	0	110.4	M12 C14 I40 G41 L62 A71 M73 Y87 C88	M12-W28 HydrophobicContact CB-CH2 4.15Å; M12-W28 HydrophobicContact CB-CZ3 4.06Å; C14-W28 HydrophobicContact CB-CH2 3.85Å; C14-W28 HydrophobicContact CB-CZ2 3.93Å; W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.25Å; W28-I40 HydrophobicContact CB-CG2 4.49Å; W28-I40 WeakPolarHBondContact O-CB 3.34Å; W28-I40 PolarHBondContact O-N 2.93Å; W28-G41 PolarHBondContact N-O 3.1Å; W28-L62 VanDerWaalsContact CD1-CD2 3.45Å; W28-L62 HydrophobicContact CG-CD2 4.01Å; W28-A71 HydrophobicContact CZ2-CB 4.4Å; W28-M73 HydrophobicContact CB-SD 3.94Å; W28-M73 HydrophobicContact CD2-CB 3.55Å; W28-M73 HydrophobicContact CD2-CG 4.36Å; W28-M73 HydrophobicContact CD2-SD 4.09Å; W28-M73 HydrophobicContact CE3-CB 3.82Å; W28-M73 HydrophobicContact CE3-CE 3.89Å; W28-M73 HydrophobicContact CE3-SD 4.05Å; W28-M73 HydrophobicContact CG-CB 4.04Å; W28-M73 HydrophobicContact CG-CG 4.49Å; W28-M73 HydrophobicContact CG-SD 4.07Å; W28-M73 HydrophobicContact CH2-CB 4.07Å; W28-M73 HydrophobicContact CZ2-CB 3.84Å; W28-M73 HydrophobicContact CZ3-CB 4.06Å; W28-M73 HydrophobicContact CZ3-CE 4.29Å; W28-Y87 WeakPolarHBondContact CA-O 3.43Å; W28-C88 HydrophobicContact CD2-CB 4.44Å; W28-C88 HydrophobicContact CE3-CB 4.31Å; W28-C88 HydrophobicContact CH2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.29Å
29	V	97.8	Very high	94.9	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.024	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	134.7	-173.5	-176.7	0	0	0	0	109.3	L37 E38 Y86 Y87 W100	V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.3Å; V29-E38 CarbonylContact C-O 3.57Å; V29-E38 WeakPolarHBondContact CA-O 3.01Å; V29-Y86 CarbonylContact O-C 3.53Å; V29-Y86 WeakPolarHBondContact O-CA 3.25Å; V29-Y87 PolarHBondContact N-O 3.42Å; V29-Y87 PolarHBondContact O-N 2.86Å; V29-W100 HydrophobicContact CB-CH2 4.2Å; V29-W100 HydrophobicContact CB-CZ3 3.86Å; V29-W100 HydrophobicContact CG1-CH2 4.17Å; V29-W100 HydrophobicContact CG1-CZ3 4.06Å; V29-W100 HydrophobicContact CG2-CH2 3.78Å; V29-W100 HydrophobicContact CG2-CZ3 3.83Å
30	K	97.5	Very high	95.4	Very high	1 Å²	1	49 Å²	49	0%	0.004	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	139.2	175	-176.8	178.8	-177	176.6	0	109.9	R32 E38 I40 F56 E81 D82 A84 Y86	K30-R32 VanDerWaalsContact NZ-NH2 3.19Å; K30-E38 HydrophobicContact CB-CB 4.34Å; K30-E38 PolarHBondContact N-O 2.76Å; K30-E38 PolarHBondContact O-N 2.93Å; K30-I40 HydrophobicContact CB-CD1 4.09Å; K30-I40 HydrophobicContact CB-CG1 4.29Å; K30-F56 HydrophobicContact CD-CE1 4Å; K30-F56 HydrophobicContact CD-CZ 4.12Å; K30-E81 WeakPolarHBondContact CE-O 3.41Å; K30-E81 PolarHBondContact NZ-O 3.31Å; K30-D82 IonicContact NZ-OD1 2.68Å; K30-D82 PolarHBondContact NZ-OD1 2.89Å; K30-A84 HydrophobicContact CD-CB 4.24Å; K30-A84 HydrophobicContact CG-CB 3.57Å; K30-Y86 HydrophobicContact CB-CD1 4.13Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.99Å; K30-Y86 WeakPolarHBondContact CE-OH 3.49Å; K30-Y86 HydrophobicContact CG-CD1 4.33Å; K30-Y86 HydrophobicContact CG-CE1 3.79Å
31	Q	97.4	Very high	95.5	Very high	64 Å²	64	44.9 Å²	44.9	30%	0.299	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	114	171.1	-169.9	-177.6	31.4	0	0	110	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.86Å; Q31-L37 HydrophobicContact CG-CD2 3.95Å; Q31-A84 WeakPolarHBondContact O-CA 3.34Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.48Å; Q31-V85 PolarHBondContact N-O 3.33Å; Q31-V85 PolarHBondContact O-N 2.86Å; Q31-Y87 HydrophobicContact CB-CD2 4.42Å; Q31-Y87 HydrophobicContact CB-CE2 3.75Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.3Å; Q31-Y87 PolarHBondContact OE1-OH 3.08Å
32	R	94.8	Very high	95.7	Very high	53 Å²	53	45.8 Å²	45.8	20%	0.2	27%	0.267	C	S	.	.			trans	-84.3	151.1	170.2	-60	-164.5	-170.3	85.9	-0.2	110.4	K30 G34 Q35 E38 E81 A84	K30-R32 VanDerWaalsContact NZ-NH2 3.19Å; R32-G34 PolarHBondContact O-N 2.9Å; R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.02Å; R32-Q35 PolarHBondContact O-N 2.82Å; R32-E38 IonicContact CZ-OE2 3.98Å; R32-E38 IonicContact NH1-OE1 3.43Å; R32-E38 IonicContact NH1-OE2 3.44Å; R32-E38 PolarHBondContact NH1-OE2 2.82Å; R32-E38 IonicContact NH2-OE2 3.41Å; R32-E81 PolarHBondContact NE-O 2.88Å; R32-A84 HydrophobicContact CG-CB 4.29Å
33	P	90.5	Very high	95.8	Very high	121 Å²	121	43.5 Å²	43.5	79%	0.786	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	127.2	172.6	-25.1	34.5	0	0	0	111.3	Q35	P33-Q35 PolarHBondContact O-N 2.81Å
34	G	91.4	Very high	95.9	Very high	95 Å²	95	42.1 Å²	42.1	98%	0.979	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	5.5	-179.9	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 2.9Å
35	Q	93	Very high	96.1	Very high	101 Å²	101	41 Å²	41	47%	0.472	24%	0.237	S	C	.	.	S	Bend	trans	-113.8	161.8	176.5	-59.4	-171.9	-4.1	0	0	111.8	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.02Å; R32-Q35 PolarHBondContact O-N 2.82Å; P33-Q35 PolarHBondContact O-N 2.81Å
36	G	93.3	Very high	96.1	Very high	55 Å²	55	39.9 Å²	39.9	57%	0.567	24%	0.241	S	C	*	.			trans	-68	174.5	172.6	0	0	0	0	0	113.3
37	L	95.5	Very high	96.1	Very high	97 Å²	97	44.3 Å²	44.3	51%	0.508	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	128.9	174.3	-64.4	176.3	0	0	0	110.4	V29 Q31 W100	V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.3Å; Q31-L37 HydrophobicContact CB-CD2 3.86Å; Q31-L37 HydrophobicContact CG-CD2 3.95Å; L37-W100 HydrophobicContact CD1-CH2 3.9Å; L37-W100 HydrophobicContact CD1-CZ3 4.39Å
38	E	96.9	Very high	96	Very high	34 Å²	34	45.6 Å²	45.6	16%	0.159	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	113	173.7	-66.5	-170.4	101.9	0	0	109.7	V29 K30 R32 I40 K55 F56	V29-E38 CarbonylContact C-O 3.57Å; V29-E38 WeakPolarHBondContact CA-O 3.01Å; K30-E38 HydrophobicContact CB-CB 4.34Å; K30-E38 PolarHBondContact N-O 2.76Å; K30-E38 PolarHBondContact O-N 2.93Å; R32-E38 IonicContact CZ-OE2 3.98Å; R32-E38 IonicContact NH1-OE1 3.43Å; R32-E38 IonicContact NH1-OE2 3.44Å; R32-E38 PolarHBondContact NH1-OE2 2.82Å; R32-E38 IonicContact NH2-OE2 3.41Å; E38-I40 PolarHBondContact O-N 2.83Å; E38-K55 IonicContact OE1-NZ 3.73Å; E38-K55 PolarHBondContact OE1-NZ 2.95Å; E38-F56 HydrophobicContact CB-CE2 4.41Å; E38-F56 HydrophobicContact CB-CZ 4.32Å
39	W	97	Very high	96	Very high	71 Å²	71	51.6 Å²	51.6	27%	0.269	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	127.3	175.1	179.6	67.9	0	0	0	110.7	H27 G41 Y42 E51 N53	H27-W39 AromaticContact CG-NE1 3.93Å; H27-W39 AromaticContact ND1-CD1 3.95Å; H27-W39 AromaticContact ND1-CE2 3.95Å; H27-W39 AromaticContact ND1-NE1 3.16Å; H27-W39 PolarHBondContact ND1-NE1 2.93Å; H27-W39 VanDerWaalsContact ND1-NE1 3.16Å; W39-G41 VanDerWaalsContact CE2-C 3.49Å; W39-G41 VanDerWaalsContact CE2-CA 3.47Å; W39-G41 PolarHBondContact NE1-O 3.46Å; W39-Y42 HydrophobicContact CH2-CD1 4.35Å; W39-Y42 AromaticContact CZ2-CD1 3.69Å; W39-Y42 HydrophobicContact CZ2-CD1 3.69Å; W39-Y42 HydrophobicContact CZ2-CG 4.46Å; W39-E51 HydrophobicContact CH2-CB 4.41Å; W39-E51 HydrophobicContact CH2-CG 4.21Å; W39-N53 HydrophobicContact CE3-CB 3.91Å; W39-N53 HydrophobicContact CZ3-CB 4.08Å; W39-N53 WeakPolarHBondContact O-CB 3.19Å; W39-N53 PolarHBondContact O-ND2 3.28Å
40	I	98.1	Very high	96	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-48.2	-178.3	-65.4	171.4	0	0	0	110.5	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.25Å; W28-I40 HydrophobicContact CB-CG2 4.49Å; W28-I40 WeakPolarHBondContact O-CB 3.34Å; W28-I40 PolarHBondContact O-N 2.93Å; K30-I40 HydrophobicContact CB-CD1 4.09Å; K30-I40 HydrophobicContact CB-CG1 4.29Å; E38-I40 PolarHBondContact O-N 2.83Å; I40-N53 PolarHBondContact O-N 2.84Å; I40-F56 HydrophobicContact CB-CD2 4.29Å; I40-F56 HydrophobicContact CB-CG 4.27Å; I40-F56 HydrophobicContact CG1-CD1 4.1Å; I40-F56 HydrophobicContact CG1-CD2 4.12Å; I40-F56 HydrophobicContact CG1-CE1 4.12Å; I40-F56 HydrophobicContact CG1-CE2 4.12Å; I40-F56 HydrophobicContact CG1-CG 4.1Å; I40-F56 HydrophobicContact CG1-CZ 4.12Å; I40-F56 HydrophobicContact CG2-CB 3.82Å; I40-F56 HydrophobicContact CG2-CD1 4.4Å; I40-F56 HydrophobicContact CG2-CD2 4.45Å; I40-F56 HydrophobicContact CG2-CG 3.99Å; I40-A60 HydrophobicContact CG2-CB 3.78Å; I40-M73 HydrophobicContact CD1-CE 4.31Å; I40-M73 HydrophobicContact CD1-SD 3.56Å; I40-M73 VanDerWaalsContact CD1-SD 3.56Å; I40-M73 HydrophobicContact CG2-SD 4.19Å; I40-Y86 HydrophobicContact CD1-CD1 3.73Å; I40-Y86 HydrophobicContact CD1-CE1 3.79Å
41	G	97.5	Very high	96	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.7	177.4	-169.2	0	0	0	0	0	112.2	H27 W28 W39 E51	H27-G41 WeakPolarHBondContact CA-O 3.48Å; W28-G41 PolarHBondContact N-O 3.1Å; W39-G41 VanDerWaalsContact CE2-C 3.49Å; W39-G41 VanDerWaalsContact CE2-CA 3.47Å; W39-G41 PolarHBondContact NE1-O 3.46Å; G41-E51 CarbonylContact C-O 3.58Å; G41-E51 WeakPolarHBondContact CA-O 3.12Å
42	Y	97.4	Very high	96	Very high	25 Å²	25	56.8 Å²	56.8	10%	0.098	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	158.8	168.4	77.9	-104.2	0	0	0	111.7	W25 M26 H27 W39 Y49 T50 E51	W25-Y42 HydrophobicContact CB-CD2 3.94Å; W25-Y42 HydrophobicContact CB-CE2 4.48Å; W25-Y42 HydrophobicContact CB-CG 4.47Å; W25-Y42 HydrophobicContact CD2-CD2 4.29Å; W25-Y42 AromaticContact CD2-CE2 3.97Å; W25-Y42 HydrophobicContact CD2-CE2 3.97Å; W25-Y42 HydrophobicContact CE3-CD2 4.44Å; W25-Y42 HydrophobicContact CE3-CE1 4.47Å; W25-Y42 HydrophobicContact CE3-CE2 4.12Å; W25-Y42 HydrophobicContact CG-CD2 4.1Å; W25-Y42 HydrophobicContact CG-CE2 4.14Å; M26-Y42 CarbonylContact O-C 3.55Å; M26-Y42 WeakPolarHBondContact O-CA 3.49Å; M26-Y42 WeakPolarHBondContact O-CB 3.23Å; H27-Y42 AromaticContact CE1-CD1 3.75Å; H27-Y42 AromaticContact CE1-CG 3.92Å; W39-Y42 HydrophobicContact CH2-CD1 4.35Å; W39-Y42 AromaticContact CZ2-CD1 3.69Å; W39-Y42 HydrophobicContact CZ2-CD1 3.69Å; W39-Y42 HydrophobicContact CZ2-CG 4.46Å; Y42-Y49 HydrophobicContact CE2-CD1 4.07Å; Y42-Y49 HydrophobicContact CE2-CE1 4.34Å; Y42-Y49 WeakPolarHBondContact OH-CE1 3.35Å; Y42-T50 VanDerWaalsContact O-CA 3.28Å; Y42-T50 WeakPolarHBondContact O-CA 3.24Å; Y42-E51 HydrophobicContact CD1-CB 4.03Å; Y42-E51 HydrophobicContact CE1-CB 3.59Å; Y42-E51 HydrophobicContact CE1-CG 4.39Å; Y42-E51 WeakPolarHBondContact CE1-OE2 3.04Å; Y42-E51 PolarHBondContact N-O 3.44Å; Y42-E51 PolarHBondContact O-N 2.82Å; Y42-E51 PolarHBondContact OH-OE2 3.43Å
43	I	97.9	Very high	96.2	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135.6	167.8	-175.1	164.9	0	0	0	109.9	M26 P45 Y49 T50 L62 T63 A64 A71	M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 2.96Å; M26-I43 PolarHBondContact O-N 2.7Å; I43-P45 VanDerWaalsContact O-CD 3.29Å; I43-P45 WeakPolarHBondContact O-CD 3.34Å; I43-Y49 CarbonylContact C-O 3.58Å; I43-Y49 WeakPolarHBondContact CA-O 3.2Å; I43-T50 HydrophobicContact CB-CG2 3.91Å; I43-T50 HydrophobicContact CD1-CG2 3.9Å; I43-T50 HydrophobicContact CG1-CG2 3.77Å; I43-L62 HydrophobicContact CB-CB 4.16Å; I43-T63 VanDerWaalsContact CD1-C 3.49Å; I43-A64 HydrophobicContact CD1-CB 3.84Å; I43-A64 HydrophobicContact CG1-CB 4.46Å; I43-A71 HydrophobicContact CG2-CB 4.47Å
44	N	96.8	Very high	96.4	Very high	29 Å²	29	57.3 Å²	57.3	16%	0.155	33%	0.331	C	S	.	.			trans	-85.6	107.5	164.1	-179.6	-20.4	0	0	0	108.3	W25 S46 T47 G48 Y49	W25-N44 PolarHBondContact NE1-ND2 3.41Å; N44-S46 PolarHBondContact O-N 3.3Å; N44-S46 VanDerWaalsContact O-N 3.16Å; N44-S46 VanDerWaalsContact OD1-CB 3.23Å; N44-S46 WeakPolarHBondContact OD1-CB 3.4Å; N44-S46 PolarHBondContact OD1-N 3Å; N44-T47 WeakPolarHBondContact CB-OG1 3.4Å; N44-T47 PolarHBondContact ND2-OG1 2.71Å; N44-T47 PolarHBondContact O-N 3.25Å; N44-T47 PolarHBondContact OD1-N 3.12Å; N44-G48 WeakPolarHBondContact O-CA 3.45Å; N44-G48 PolarHBondContact O-N 2.8Å; N44-Y49 PolarHBondContact N-O 2.85Å
45	P	96.8	Very high	96.6	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.019	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-20.9	-177.3	-19.6	34	0	0	0	113.4	F21 Y24 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.85Å; F21-P45 HydrophobicContact CD1-CG 4.31Å; F21-P45 HydrophobicContact CD2-CG 4.21Å; F21-P45 HydrophobicContact CE1-CB 3.45Å; F21-P45 VanDerWaalsContact CE1-CB 3.45Å; F21-P45 HydrophobicContact CE1-CG 3.87Å; F21-P45 HydrophobicContact CE2-CB 4.26Å; F21-P45 HydrophobicContact CE2-CG 3.73Å; F21-P45 HydrophobicContact CG-CB 4.43Å; F21-P45 HydrophobicContact CG-CG 4.49Å; F21-P45 HydrophobicContact CZ-CB 3.68Å; F21-P45 HydrophobicContact CZ-CG 3.55Å; Y24-P45 WeakPolarHBondContact O-CD 2.94Å; I43-P45 VanDerWaalsContact O-CD 3.29Å; I43-P45 WeakPolarHBondContact O-CD 3.34Å; P45-A64 HydrophobicContact CB-CB 3.95Å; P45-A64 HydrophobicContact CG-CB 4.47Å; P45-K66 WeakPolarHBondContact O-CE 3.18Å
46	S	96	Very high	96.7	Very high	57 Å²	57	55.6 Å²	55.6	40%	0.399	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-49	177.1	-172	0	0	0	0	111.7	T22 N44 K66	T22-S46 WeakPolarHBondContact O-CB 3.45Å; N44-S46 PolarHBondContact O-N 3.3Å; N44-S46 VanDerWaalsContact O-N 3.16Å; N44-S46 VanDerWaalsContact OD1-CB 3.23Å; N44-S46 WeakPolarHBondContact OD1-CB 3.4Å; N44-S46 PolarHBondContact OD1-N 3Å; S46-K66 WeakPolarHBondContact O-CE 3.3Å; S46-K66 PolarHBondContact O-NZ 2.89Å
47	T	96.5	Very high	96.8	Very high	95 Å²	95	58.5 Å²	58.5	58%	0.583	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-17.6	-173	62	0	0	0	0	113.8	N44 Y49	N44-T47 WeakPolarHBondContact CB-OG1 3.4Å; N44-T47 PolarHBondContact ND2-OG1 2.71Å; N44-T47 PolarHBondContact O-N 3.25Å; N44-T47 PolarHBondContact OD1-N 3.12Å; T47-Y49 PolarHBondContact O-N 3.22Å; T47-Y49 VanDerWaalsContact OG1-CB 3.32Å; T47-Y49 WeakPolarHBondContact OG1-CB 3.27Å; T47-Y49 PolarHBondContact OG1-N 3.04Å
48	G	96.6	Very high	96.8	Very high	44 Å²	44	60.9 Å²	60.9	45%	0.454	31%	0.305	S	S	.	.			trans	75	3	-169.5	0	0	0	0	0	113.8	N44 T50	N44-G48 WeakPolarHBondContact O-CA 3.45Å; N44-G48 PolarHBondContact O-N 2.8Å; G48-T50 PolarHBondContact O-N 3.02Å
49	Y	97.2	Very high	96.7	Very high	130 Å²	130	61.1 Å²	61.1	51%	0.51	31%	0.306	S	S	.	.			trans	-61.8	135	177	179.7	-96.4	0	0	0	110.4	Y42 I43 N44 T47 E51	Y42-Y49 HydrophobicContact CE2-CD1 4.07Å; Y42-Y49 HydrophobicContact CE2-CE1 4.34Å; Y42-Y49 WeakPolarHBondContact OH-CE1 3.35Å; I43-Y49 CarbonylContact C-O 3.58Å; I43-Y49 WeakPolarHBondContact CA-O 3.2Å; N44-Y49 PolarHBondContact N-O 2.85Å; T47-Y49 PolarHBondContact O-N 3.22Å; T47-Y49 VanDerWaalsContact OG1-CB 3.32Å; T47-Y49 WeakPolarHBondContact OG1-CB 3.27Å; T47-Y49 PolarHBondContact OG1-N 3.04Å; Y49-E51 HydrophobicContact CE1-CB 4.22Å
50	T	97.9	Very high	96.8	Very high	45 Å²	45	57.9 Å²	57.9	28%	0.276	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.9	179.2	51.6	0	0	0	0	110.7	Y42 I43 G48 Y52 L62	Y42-T50 VanDerWaalsContact O-CA 3.28Å; Y42-T50 WeakPolarHBondContact O-CA 3.24Å; I43-T50 HydrophobicContact CB-CG2 3.91Å; I43-T50 HydrophobicContact CD1-CG2 3.9Å; I43-T50 HydrophobicContact CG1-CG2 3.77Å; G48-T50 PolarHBondContact O-N 3.02Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.35Å; T50-L62 HydrophobicContact CG2-CB 3.95Å
51	E	97.4	Very high	96.8	Very high	83 Å²	83	61.2 Å²	61.2	39%	0.388	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.2	169.8	-165.8	177.4	154.9	0	0	108.8	W39 G41 Y42 Y49	W39-E51 HydrophobicContact CH2-CB 4.41Å; W39-E51 HydrophobicContact CH2-CG 4.21Å; G41-E51 CarbonylContact C-O 3.58Å; G41-E51 WeakPolarHBondContact CA-O 3.12Å; Y42-E51 HydrophobicContact CD1-CB 4.03Å; Y42-E51 HydrophobicContact CE1-CB 3.59Å; Y42-E51 HydrophobicContact CE1-CG 4.39Å; Y42-E51 WeakPolarHBondContact CE1-OE2 3.04Å; Y42-E51 PolarHBondContact N-O 3.44Å; Y42-E51 PolarHBondContact O-N 2.82Å; Y42-E51 PolarHBondContact OH-OE2 3.43Å; Y49-E51 HydrophobicContact CE1-CB 4.22Å
52	Y	98.1	Very high	96.8	Very high	51 Å²	51	61.7 Å²	61.7	20%	0.2	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144.9	-175.6	-63	-92.2	0	0	0	110.2	T50 A60 L62	T50-Y52 WeakPolarHBondContact OG1-CE2 3.35Å; Y52-A60 HydrophobicContact CE1-CB 4.37Å; Y52-A60 WeakPolarHBondContact CE1-O 3.47Å; Y52-L62 HydrophobicContact CE1-CB 4.48Å; Y52-L62 HydrophobicContact CE1-CD1 4.06Å; Y52-L62 HydrophobicContact CE1-CG 3.67Å; Y52-L62 PolarHBondContact OH-N 2.91Å
53	N	97.2	Very high	96.9	Very high	48 Å²	48	63.3 Å²	63.3	26%	0.257	33%	0.33	S	S	.	.			trans	-66.6	134.7	156.5	179.4	-26.6	0	0	0	108.8	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.91Å; W39-N53 HydrophobicContact CZ3-CB 4.08Å; W39-N53 WeakPolarHBondContact O-CB 3.19Å; W39-N53 PolarHBondContact O-ND2 3.28Å; I40-N53 PolarHBondContact O-N 2.84Å; N53-K55 PolarHBondContact O-N 3.23Å; N53-K55 PolarHBondContact OD1-N 3.45Å; N53-K55 VanDerWaalsContact OD1-N 3.12Å; N53-F56 HydrophobicContact CB-CD2 4.07Å; N53-F56 PolarHBondContact O-N 2.9Å; N53-K57 PolarHBondContact O-N 2.98Å
54	Q	96.3	Very high	96.9	Very high	136 Å²	136	64.8 Å²	64.8	64%	0.636	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-52.6	-32.7	-176.1	-169.1	61.5	26.8	0	0	113.2	F56	Q54-F56 PolarHBondContact O-N 3.13Å
55	K	94.4	Very high	96.9	Very high	150 Å²	150	66 Å²	66	65%	0.652	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-61.9	-26.3	177.1	-67.3	-174.6	-178.3	-178.1	0	114.2	E38 N53	E38-K55 IonicContact OE1-NZ 3.73Å; E38-K55 PolarHBondContact OE1-NZ 2.95Å; N53-K55 PolarHBondContact O-N 3.23Å; N53-K55 PolarHBondContact OD1-N 3.45Å; N53-K55 VanDerWaalsContact OD1-N 3.12Å
56	F	96.3	Very high	96.9	Very high	11 Å²	11	71.5 Å²	71.5	5%	0.048	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-113.7	-3.1	-172.3	-61.1	-82.2	0	0	0	113.4	K30 E38 I40 N53 Q54 D58 K59 A60	K30-F56 HydrophobicContact CD-CE1 4Å; K30-F56 HydrophobicContact CD-CZ 4.12Å; E38-F56 HydrophobicContact CB-CE2 4.41Å; E38-F56 HydrophobicContact CB-CZ 4.32Å; I40-F56 HydrophobicContact CB-CD2 4.29Å; I40-F56 HydrophobicContact CB-CG 4.27Å; I40-F56 HydrophobicContact CG1-CD1 4.1Å; I40-F56 HydrophobicContact CG1-CD2 4.12Å; I40-F56 HydrophobicContact CG1-CE1 4.12Å; I40-F56 HydrophobicContact CG1-CE2 4.12Å; I40-F56 HydrophobicContact CG1-CG 4.1Å; I40-F56 HydrophobicContact CG1-CZ 4.12Å; I40-F56 HydrophobicContact CG2-CB 3.82Å; I40-F56 HydrophobicContact CG2-CD1 4.4Å; I40-F56 HydrophobicContact CG2-CD2 4.45Å; I40-F56 HydrophobicContact CG2-CG 3.99Å; N53-F56 HydrophobicContact CB-CD2 4.07Å; N53-F56 PolarHBondContact O-N 2.9Å; Q54-F56 PolarHBondContact O-N 3.13Å; F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 3.49Å; F56-K59 PolarHBondContact O-N 3.16Å; F56-A60 HydrophobicContact CB-CB 4.35Å; F56-A60 PolarHBondContact O-N 2.9Å
57	K	94.6	Very high	96.8	Very high	116 Å²	116	74 Å²	74	50%	0.504	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-37	-173.4	-170.9	174.2	-178.9	177.7	0	113.5	N53	N53-K57 PolarHBondContact O-N 2.98Å
58	D	95	Very high	96.8	Very high	147 Å²	147	71.2 Å²	71.2	79%	0.786	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-1.6	179.6	-55	-40.1	0	0	0	113	F56	F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 3.49Å
59	K	96.2	Very high	96.8	Very high	38 Å²	38	71 Å²	71	17%	0.165	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-36.4	-172.9	-168.3	77.6	175.8	-162.9	0	112.7	F56 L75 S76 S77 D82	F56-K59 PolarHBondContact O-N 3.16Å; K59-L75 HydrophobicContact CG-CD2 4.32Å; K59-L75 WeakPolarHBondContact O-CA 3.17Å; K59-S76 VanDerWaalsContact CD-O 3.27Å; K59-S76 WeakPolarHBondContact CD-O 3.32Å; K59-S76 WeakPolarHBondContact CE-O 3.13Å; K59-S76 PolarHBondContact NZ-O 2.81Å; K59-S76 PolarHBondContact O-N 3.04Å; K59-S76 PolarHBondContact O-OG 3Å; K59-S77 PolarHBondContact NZ-O 2.98Å; K59-D82 WeakPolarHBondContact CE-OD2 3.5Å; K59-D82 IonicContact NZ-OD1 3.99Å; K59-D82 IonicContact NZ-OD2 2.7Å; K59-D82 PolarHBondContact NZ-OD2 3.02Å
60	A	97.9	Very high	96.9	Very high	3 Å²	3	65.2 Å²	65.2	3%	0.025	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.2	-172.7	0	0	0	0	0	111.2	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.78Å; Y52-A60 HydrophobicContact CE1-CB 4.37Å; Y52-A60 WeakPolarHBondContact CE1-O 3.47Å; F56-A60 HydrophobicContact CB-CB 4.35Å; F56-A60 PolarHBondContact O-N 2.9Å; A60-M73 HydrophobicContact CB-CG 4.41Å; A60-Q74 CarbonylContact C-O 3.51Å; A60-Q74 WeakPolarHBondContact CA-O 3.47Å; A60-L75 HydrophobicContact CB-CD2 3.94Å
61	T	98.4	Very high	96.9	Very high	71 Å²	71	63.1 Å²	63.1	44%	0.436	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.8	169.8	-57.8	0	0	0	0	109.1	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.37Å; T61-M73 WeakPolarHBondContact O-CA 3.49Å; T61-Q74 PolarHBondContact N-O 2.93Å; T61-Q74 PolarHBondContact O-N 2.83Å
62	L	98.6	Very high	96.9	Very high	9 Å²	9	61.6 Å²	61.6	5%	0.047	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	131.8	178.3	-53.3	-174.9	0	0	0	110.9	W28 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.45Å; W28-L62 HydrophobicContact CG-CD2 4.01Å; I43-L62 HydrophobicContact CB-CB 4.16Å; T50-L62 HydrophobicContact CG2-CB 3.95Å; Y52-L62 HydrophobicContact CE1-CB 4.48Å; Y52-L62 HydrophobicContact CE1-CD1 4.06Å; Y52-L62 HydrophobicContact CE1-CG 3.67Å; Y52-L62 PolarHBondContact OH-N 2.91Å; L62-Y72 WeakPolarHBondContact CA-O 3.35Å; L62-M73 HydrophobicContact CD2-CB 3.72Å; L62-M73 HydrophobicContact CD2-CG 3.66Å; L62-M73 HydrophobicContact CD2-SD 4.45Å
63	T	98.3	Very high	96.9	Very high	59 Å²	59	59.2 Å²	59.2	36%	0.362	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	162.3	175.9	57	0	0	0	0	110.7	I43 T61 A71 Y72	I43-T63 VanDerWaalsContact CD1-C 3.49Å; T61-T63 HydrophobicContact CG2-CG2 4.37Å; T63-A71 CarbonylContact O-C 3.58Å; T63-A71 WeakPolarHBondContact O-CA 3.26Å; T63-Y72 PolarHBondContact N-O 2.03Å; T63-Y72 PolarHBondContact O-N 2.99Å
64	A	98	Very high	97	Very high	35 Å²	35	60.9 Å²	60.9	29%	0.289	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	136.2	177	0	0	0	0	0	110.6	F21 I43 P45 T70	F21-A64 HydrophobicContact CE1-CB 4.14Å; F21-A64 HydrophobicContact CZ-CB 4.11Å; I43-A64 HydrophobicContact CD1-CB 3.84Å; I43-A64 HydrophobicContact CG1-CB 4.46Å; P45-A64 HydrophobicContact CB-CB 3.95Å; P45-A64 HydrophobicContact CG-CB 4.47Å; A64-T70 WeakPolarHBondContact CA-O 3.41Å
65	D	97.5	Very high	97.1	Very high	54 Å²	54	54.4 Å²	54.4	29%	0.289	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	112.6	170.6	175.4	9.4	0	0	0	109.1	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.33Å; D65-S67 VanDerWaalsContact CG-OG 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.39Å; D65-S67 PolarHBondContact OD1-N 3.21Å; D65-S67 PolarHBondContact OD1-OG 3.01Å; D65-S67 PolarHBondContact OD2-OG 3.37Å; D65-S68 WeakPolarHBondContact CB-OG 3Å; D65-S68 VanDerWaalsContact OD2-CB 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 2.97Å; D65-S68 PolarHBondContact OD2-OG 2.98Å; D65-S69 WeakPolarHBondContact O-CA 2.98Å; D65-S69 PolarHBondContact O-N 3.27Å; D65-S69 VanDerWaalsContact O-N 3.08Å; D65-T70 PolarHBondContact N-O 2.96Å; D65-T70 PolarHBondContact O-N 3.29Å; D65-Y72 HydrophobicContact CB-CE2 4.02Å
66	K	95.6	Very high	97.2	Very high	120 Å²	120	48.9 Å²	48.9	52%	0.522	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-35.3	-179.9	-64.6	173.9	177.3	175.7	0	111.7	T22 P45 S46 S69	T22-K66 HydrophobicContact CG2-CD 4.49Å; T22-K66 HydrophobicContact CG2-CG 4.17Å; P45-K66 WeakPolarHBondContact O-CE 3.18Å; S46-K66 WeakPolarHBondContact O-CE 3.3Å; S46-K66 PolarHBondContact O-NZ 2.89Å; K66-S69 PolarHBondContact O-N 2.87Å
67	S	95.1	Very high	97.2	Very high	109 Å²	109	52 Å²	52	76%	0.762	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-42.8	-174.5	71.3	0	0	0	0	111.6	D65	D65-S67 VanDerWaalsContact C-N 3.33Å; D65-S67 VanDerWaalsContact CG-OG 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.39Å; D65-S67 PolarHBondContact OD1-N 3.21Å; D65-S67 PolarHBondContact OD1-OG 3.01Å; D65-S67 PolarHBondContact OD2-OG 3.37Å
68	S	96.8	Very high	97.3	Very high	37 Å²	37	46.6 Å²	46.6	26%	0.259	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-0.1	176.7	66.5	0	0	0	0	113.7	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3Å; D65-S68 VanDerWaalsContact OD2-CB 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 2.97Å; D65-S68 PolarHBondContact OD2-OG 2.98Å; S68-T70 PolarHBondContact O-N 2.86Å; S68-T70 PolarHBondContact O-OG1 3.21Å; S68-T70 WeakPolarHBondContact OG-CB 3.45Å; S68-T70 PolarHBondContact OG-OG1 3.31Å
69	S	97.1	Very high	97.3	Very high	40 Å²	40	42.4 Å²	42.4	28%	0.28	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	43	-174.3	-65.4	0	0	0	0	112.8	A16 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.42Å; A16-S69 PolarHBondContact N-O 3.03Å; D65-S69 WeakPolarHBondContact O-CA 2.98Å; D65-S69 PolarHBondContact O-N 3.27Å; D65-S69 VanDerWaalsContact O-N 3.08Å; K66-S69 PolarHBondContact O-N 2.87Å
70	T	98	Very high	97.2	Very high	8 Å²	8	44.7 Å²	44.7	5%	0.049	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.1	-173.1	-56.9	0	0	0	0	110.9	C14 K15 A64 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.44Å; K15-T70 HydrophobicContact CB-CG2 4.47Å; A64-T70 WeakPolarHBondContact CA-O 3.41Å; D65-T70 PolarHBondContact N-O 2.96Å; D65-T70 PolarHBondContact O-N 3.29Å; S68-T70 PolarHBondContact O-N 2.86Å; S68-T70 PolarHBondContact O-OG1 3.21Å; S68-T70 WeakPolarHBondContact OG-CB 3.45Å; S68-T70 PolarHBondContact OG-OG1 3.31Å; T70-Y72 HydrophobicContact CG2-CD1 4.23Å; T70-Y72 HydrophobicContact CG2-CD2 4.36Å; T70-Y72 HydrophobicContact CG2-CE1 3.63Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.41Å
71	A	98	Very high	97	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	150.4	167.1	0	0	0	0	0	109.9	S13 C14 F21 M26 W28 I43 T63	S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.29Å; C14-A71 PolarHBondContact N-O 3.02Å; C14-A71 PolarHBondContact O-N 2.94Å; F21-A71 HydrophobicContact CE2-CB 4.24Å; F21-A71 HydrophobicContact CZ-CB 3.96Å; M26-A71 HydrophobicContact CB-CB 3.96Å; M26-A71 HydrophobicContact CG-CB 3.55Å; W28-A71 HydrophobicContact CZ2-CB 4.4Å; I43-A71 HydrophobicContact CG2-CB 4.47Å; T63-A71 CarbonylContact O-C 3.58Å; T63-A71 WeakPolarHBondContact O-CA 3.26Å
72	Y	98.3	Very high	96.9	Very high	52 Å²	52	47.9 Å²	47.9	20%	0.204	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.4	176.3	-53.9	-90.4	0	0	0	111.2	K11 M12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.38Å; K11-Y72 VanDerWaalsContact CE-CD1 3.45Å; K11-Y72 VanDerWaalsContact CE-CG 3.44Å; K11-Y72 HydrophobicContact CG-CD1 4.32Å; M12-Y72 CarbonylContact O-C 3.52Å; M12-Y72 WeakPolarHBondContact O-CA 3.45Å; M12-Y72 WeakPolarHBondContact O-CB 3.45Å; S13-Y72 VanDerWaalsContact CB-CD1 3.49Å; S13-Y72 VanDerWaalsContact CB-CE1 3.46Å; L62-Y72 WeakPolarHBondContact CA-O 3.35Å; T63-Y72 PolarHBondContact N-O 2.03Å; T63-Y72 PolarHBondContact O-N 2.99Å; D65-Y72 HydrophobicContact CB-CE2 4.02Å; T70-Y72 HydrophobicContact CG2-CD1 4.23Å; T70-Y72 HydrophobicContact CG2-CD2 4.36Å; T70-Y72 HydrophobicContact CG2-CE1 3.63Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.41Å
73	M	98.3	Very high	96.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.4	166.2	176.8	-174.7	68.9	0	0	108	M12 W28 I40 A60 T61 L62 L75 Y86	M12-M73 HydrophobicContact CG-CE 4.27Å; M12-M73 PolarHBondContact N-O 3.27Å; M12-M73 PolarHBondContact O-N 2.78Å; M12-M73 HydrophobicContact SD-CE 3.45Å; M12-M73 WeakPolarHBondContact SD-CE 3.45Å; W28-M73 HydrophobicContact CB-SD 3.94Å; W28-M73 HydrophobicContact CD2-CB 3.55Å; W28-M73 HydrophobicContact CD2-CG 4.36Å; W28-M73 HydrophobicContact CD2-SD 4.09Å; W28-M73 HydrophobicContact CE3-CB 3.82Å; W28-M73 HydrophobicContact CE3-CE 3.89Å; W28-M73 HydrophobicContact CE3-SD 4.05Å; W28-M73 HydrophobicContact CG-CB 4.04Å; W28-M73 HydrophobicContact CG-CG 4.49Å; W28-M73 HydrophobicContact CG-SD 4.07Å; W28-M73 HydrophobicContact CH2-CB 4.07Å; W28-M73 HydrophobicContact CZ2-CB 3.84Å; W28-M73 HydrophobicContact CZ3-CB 4.06Å; W28-M73 HydrophobicContact CZ3-CE 4.29Å; I40-M73 HydrophobicContact CD1-CE 4.31Å; I40-M73 HydrophobicContact CD1-SD 3.56Å; I40-M73 VanDerWaalsContact CD1-SD 3.56Å; I40-M73 HydrophobicContact CG2-SD 4.19Å; A60-M73 HydrophobicContact CB-CG 4.41Å; T61-M73 WeakPolarHBondContact O-CA 3.49Å; L62-M73 HydrophobicContact CD2-CB 3.72Å; L62-M73 HydrophobicContact CD2-CG 3.66Å; L62-M73 HydrophobicContact CD2-SD 4.45Å; M73-L75 HydrophobicContact CE-CD1 3.84Å; M73-L75 HydrophobicContact CE-CD2 4.31Å; M73-L75 HydrophobicContact CE-CG 3.92Å; M73-L75 HydrophobicContact CG-CD2 4.47Å; M73-L75 HydrophobicContact CG-CG 4.44Å; M73-L75 HydrophobicContact SD-CD2 4.12Å; M73-L75 HydrophobicContact SD-CG 4.31Å; M73-Y86 HydrophobicContact CE-CD1 3.53Å; M73-Y86 HydrophobicContact CE-CE1 4.06Å; M73-Y86 HydrophobicContact CE-CG 4.06Å; M73-Y86 HydrophobicContact SD-CD1 4.48Å
74	Q	98.2	Very high	96.8	Very high	83 Å²	83	46.6 Å²	46.6	39%	0.388	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.8	169.1	-177.2	174.1	-2.4	0	0	109.1	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.39Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.28Å; A60-Q74 CarbonylContact C-O 3.51Å; A60-Q74 WeakPolarHBondContact CA-O 3.47Å; T61-Q74 PolarHBondContact N-O 2.93Å; T61-Q74 PolarHBondContact O-N 2.83Å
75	L	97.7	Very high	96.8	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	131.3	170.3	-65.3	169.1	0	0	0	108.8	S9 V10 K59 A60 M73 L78 Y86 L106	S9-L75 CarbonylContact C-O 3.52Å; S9-L75 WeakPolarHBondContact CA-O 3.26Å; S9-L75 WeakPolarHBondContact CB-O 3.47Å; V10-L75 HydrophobicContact CG1-CB 3.97Å; V10-L75 HydrophobicContact CG1-CD1 4.29Å; V10-L75 PolarHBondContact N-O 2.85Å; V10-L75 PolarHBondContact O-N 3.11Å; K59-L75 HydrophobicContact CG-CD2 4.32Å; K59-L75 WeakPolarHBondContact O-CA 3.17Å; A60-L75 HydrophobicContact CB-CD2 3.94Å; M73-L75 HydrophobicContact CE-CD1 3.84Å; M73-L75 HydrophobicContact CE-CD2 4.31Å; M73-L75 HydrophobicContact CE-CG 3.92Å; M73-L75 HydrophobicContact CG-CD2 4.47Å; M73-L75 HydrophobicContact CG-CG 4.44Å; M73-L75 HydrophobicContact SD-CD2 4.12Å; M73-L75 HydrophobicContact SD-CG 4.31Å; L75-L78 HydrophobicContact CB-CD2 3.79Å; L75-L78 HydrophobicContact CD1-CD2 4.35Å; L75-Y86 HydrophobicContact CD1-CD1 4.29Å; L75-Y86 HydrophobicContact CD1-CE1 3.58Å; L75-Y86 HydrophobicContact CD1-CE2 4.17Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.5Å; L75-L106 HydrophobicContact CD1-CD2 4.09Å
76	S	96.9	Very high	96.8	Very high	34 Å²	34	44.2 Å²	44.2	24%	0.238	26%	0.257	C	S	.	.			trans	-107.5	160.9	179.3	59.8	0	0	0	0	112.3	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.19Å; K59-S76 VanDerWaalsContact CD-O 3.27Å; K59-S76 WeakPolarHBondContact CD-O 3.32Å; K59-S76 WeakPolarHBondContact CE-O 3.13Å; K59-S76 PolarHBondContact NZ-O 2.81Å; K59-S76 PolarHBondContact O-N 3.04Å; K59-S76 PolarHBondContact O-OG 3Å; S76-L78 VanDerWaalsContact C-N 3.31Å; S76-L78 PolarHBondContact O-N 2.86Å
77	S	96.2	Very high	96.9	Very high	77 Å²	77	40.7 Å²	40.7	54%	0.538	24%	0.241	S	C	.	.	S	Bend	trans	49.9	48.7	171.9	-56.3	0	0	0	0	113	A8 K59	A8-S77 PolarHBondContact O-N 2.8Å; K59-S77 PolarHBondContact NZ-O 2.98Å
78	L	96.9	Very high	97	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	21%	0.21	C	C	.	.			trans	-56.9	140.7	-170.4	-72	172.8	0	0	0	112.8	A4 P6 G7 A8 V10 L75 S76 D82 L106 V108	A4-L78 HydrophobicContact CB-CD1 3.51Å; P6-L78 CarbonylContact C-O 3.58Å; P6-L78 WeakPolarHBondContact CA-O 3.34Å; G7-L78 PolarHBondContact N-O 2.95Å; A8-L78 WeakPolarHBondContact O-CB 3.43Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.28Å; A8-L78 PolarHBondContact O-N 2.87Å; V10-L78 HydrophobicContact CB-CD1 4.18Å; V10-L78 HydrophobicContact CG1-CD1 3.89Å; V10-L78 HydrophobicContact CG1-CD2 4.3Å; L75-L78 HydrophobicContact CB-CD2 3.79Å; L75-L78 HydrophobicContact CD1-CD2 4.35Å; S76-L78 VanDerWaalsContact C-N 3.31Å; S76-L78 PolarHBondContact O-N 2.86Å; L78-D82 WeakPolarHBondContact CA-OD2 3.12Å; L78-D82 HydrophobicContact CD2-CB 3.77Å; L78-L106 HydrophobicContact CD1-CD2 4.42Å; L78-L106 HydrophobicContact CD2-CD2 3.92Å; L78-V108 HydrophobicContact CB-CG1 4.12Å; L78-V108 HydrophobicContact CB-CG2 4.08Å; L78-V108 HydrophobicContact CD1-CG2 4.25Å; L78-V108 HydrophobicContact CD2-CG2 4.43Å; L78-V108 HydrophobicContact CG-CG2 4.5Å
79	T	95.8	Very high	96.9	Very high	58 Å²	58	34.5 Å²	34.5	36%	0.356	20%	0.198	S	C	.	.			trans	-121.2	168.4	172.2	66.8	0	0	0	0	110.1	E81 D82 V108	T79-E81 PolarHBondContact O-N 2.73Å; T79-E81 VanDerWaalsContact O-N 3.16Å; T79-D82 PolarHBondContact N-OD2 2.85Å; T79-D82 WeakPolarHBondContact O-CB 3.15Å; T79-D82 PolarHBondContact O-N 2.88Å; T79-D82 PolarHBondContact OG1-OD2 2.86Å; T79-V108 WeakPolarHBondContact O-CB 2.82Å; T79-V108 WeakPolarHBondContact O-CG1 3.34Å; T79-V108 WeakPolarHBondContact O-CG2 3.41Å
80	S	94.3	Very high	96.7	Very high	87 Å²	87	34 Å²	34	61%	0.608	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-55.6	-31.4	175.5	51.4	0	0	0	0	112.6	D82 S83	S80-D82 PolarHBondContact O-N 3.1Å; S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 3.34Å; S80-S83 PolarHBondContact O-N 3.38Å; S80-S83 PolarHBondContact O-OG 3.04Å
81	E	93.1	Very high	96.3	Very high	131 Å²	131	33.9 Å²	33.9	61%	0.612	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-67.2	-14.9	177.1	-59.6	-174.7	174	0	0	114.2	K30 R32 T79 S83	K30-E81 WeakPolarHBondContact CE-O 3.41Å; K30-E81 PolarHBondContact NZ-O 3.31Å; R32-E81 PolarHBondContact NE-O 2.88Å; T79-E81 PolarHBondContact O-N 2.73Å; T79-E81 VanDerWaalsContact O-N 3.16Å; E81-S83 VanDerWaalsContact C-N 3.27Å
82	D	95.8	Very high	95.8	Very high	9 Å²	9	38.6 Å²	38.6	5%	0.048	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-81.2	-6	172.8	-62.8	-48	0	0	0	112.8	K30 K59 L78 T79 S80 A84 Y86 V108	K30-D82 IonicContact NZ-OD1 2.68Å; K30-D82 PolarHBondContact NZ-OD1 2.89Å; K59-D82 WeakPolarHBondContact CE-OD2 3.5Å; K59-D82 IonicContact NZ-OD1 3.99Å; K59-D82 IonicContact NZ-OD2 2.7Å; K59-D82 PolarHBondContact NZ-OD2 3.02Å; L78-D82 WeakPolarHBondContact CA-OD2 3.12Å; L78-D82 HydrophobicContact CD2-CB 3.77Å; T79-D82 PolarHBondContact N-OD2 2.85Å; T79-D82 WeakPolarHBondContact O-CB 3.15Å; T79-D82 PolarHBondContact O-N 2.88Å; T79-D82 PolarHBondContact OG1-OD2 2.86Å; S80-D82 PolarHBondContact O-N 3.1Å; D82-A84 PolarHBondContact O-N 3.28Å; D82-A84 VanDerWaalsContact O-N 3.11Å; D82-Y86 WeakPolarHBondContact O-CE2 3.39Å; D82-Y86 PolarHBondContact O-OH 2.88Å; D82-V108 HydrophobicContact CB-CG2 4.19Å
83	S	97.1	Very high	94.6	Very high	36 Å²	36	42.3 Å²	42.3	25%	0.252	23%	0.234	S	C	.	.			trans	-65.8	112.9	171.6	-57.9	0	0	0	0	110.5	S80 E81 L106 V108	S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 3.34Å; S80-S83 PolarHBondContact O-N 3.38Å; S80-S83 PolarHBondContact O-OG 3.04Å; E81-S83 VanDerWaalsContact C-N 3.27Å; S83-L106 VanDerWaalsContact CA-O 3.29Å; S83-L106 WeakPolarHBondContact CA-O 3.49Å; S83-V108 PolarHBondContact OG-N 3.28Å
84	A	97.4	Very high	93.4	Very high	6 Å²	6	48.1 Å²	48.1	5%	0.05	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	171.6	-172.4	0	0	0	0	0	110.8	K30 Q31 R32 D82 Y86 L106	K30-A84 HydrophobicContact CD-CB 4.24Å; K30-A84 HydrophobicContact CG-CB 3.57Å; Q31-A84 WeakPolarHBondContact O-CA 3.34Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.48Å; R32-A84 HydrophobicContact CG-CB 4.29Å; D82-A84 PolarHBondContact O-N 3.28Å; D82-A84 VanDerWaalsContact O-N 3.11Å; A84-Y86 HydrophobicContact CB-CD2 4.31Å; A84-Y86 HydrophobicContact CB-CE2 3.78Å; A84-L106 PolarHBondContact N-O 3.41Å; A84-L106 VanDerWaalsContact N-O 3.08Å; A84-L106 PolarHBondContact O-N 2.78Å
85	V	98	Very high	92.2	Very high	35 Å²	35	46.7 Å²	46.7	21%	0.212	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.7	161.1	-170.9	0	0	0	0	108.4	Q31 Y87	Q31-V85 PolarHBondContact N-O 3.33Å; Q31-V85 PolarHBondContact O-N 2.86Å; V85-Y87 HydrophobicContact CB-CE2 3.86Å; V85-Y87 HydrophobicContact CG1-CD1 4.44Å; V85-Y87 HydrophobicContact CG1-CD2 4.3Å; V85-Y87 HydrophobicContact CG1-CE1 3.77Å; V85-Y87 HydrophobicContact CG1-CE2 3.63Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.45Å
86	Y	98.1	Very high	91.1	Very high	3 Å²	3	51.9 Å²	51.9	1%	0.012	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.6	177.1	-67.9	-95.7	0	0	0	110	M12 V29 K30 I40 M73 L75 D82 A84 G103 T104 L106	M12-Y86 HydrophobicContact CE-CD2 4.13Å; M12-Y86 HydrophobicContact CE-CG 4.19Å; M12-Y86 HydrophobicContact SD-CD1 4.47Å; M12-Y86 HydrophobicContact SD-CD2 4.05Å; M12-Y86 HydrophobicContact SD-CG 3.85Å; V29-Y86 CarbonylContact O-C 3.53Å; V29-Y86 WeakPolarHBondContact O-CA 3.25Å; K30-Y86 HydrophobicContact CB-CD1 4.13Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.99Å; K30-Y86 WeakPolarHBondContact CE-OH 3.49Å; K30-Y86 HydrophobicContact CG-CD1 4.33Å; K30-Y86 HydrophobicContact CG-CE1 3.79Å; I40-Y86 HydrophobicContact CD1-CD1 3.73Å; I40-Y86 HydrophobicContact CD1-CE1 3.79Å; M73-Y86 HydrophobicContact CE-CD1 3.53Å; M73-Y86 HydrophobicContact CE-CE1 4.06Å; M73-Y86 HydrophobicContact CE-CG 4.06Å; M73-Y86 HydrophobicContact SD-CD1 4.48Å; L75-Y86 HydrophobicContact CD1-CD1 4.29Å; L75-Y86 HydrophobicContact CD1-CE1 3.58Å; L75-Y86 HydrophobicContact CD1-CE2 4.17Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.5Å; D82-Y86 WeakPolarHBondContact O-CE2 3.39Å; D82-Y86 PolarHBondContact O-OH 2.88Å; A84-Y86 HydrophobicContact CB-CD2 4.31Å; A84-Y86 HydrophobicContact CB-CE2 3.78Å; Y86-G103 CarbonylContact O-C 3.4Å; Y86-G103 VanDerWaalsContact O-CA 3.24Å; Y86-G103 WeakPolarHBondContact O-CA 3.45Å; Y86-T104 PolarHBondContact N-O 3Å; Y86-T104 PolarHBondContact O-N 2.93Å; Y86-L106 HydrophobicContact CD2-CB 3.97Å; Y86-L106 HydrophobicContact CD2-CD2 4.5Å; Y86-L106 HydrophobicContact CE2-CB 3.8Å; Y86-L106 HydrophobicContact CE2-CD2 3.77Å; Y86-L106 HydrophobicContact CE2-CG 4.4Å
87	Y	97.8	Very high	90.2	Very high	47 Å²	47	53.1 Å²	53.1	18%	0.184	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	147.4	179.8	-55.6	-88.4	0	0	0	110.2	W28 V29 Q31 V85 W100	W28-Y87 WeakPolarHBondContact CA-O 3.43Å; V29-Y87 PolarHBondContact N-O 3.42Å; V29-Y87 PolarHBondContact O-N 2.86Å; Q31-Y87 HydrophobicContact CB-CD2 4.42Å; Q31-Y87 HydrophobicContact CB-CE2 3.75Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.3Å; Q31-Y87 PolarHBondContact OE1-OH 3.08Å; V85-Y87 HydrophobicContact CB-CE2 3.86Å; V85-Y87 HydrophobicContact CG1-CD1 4.44Å; V85-Y87 HydrophobicContact CG1-CD2 4.3Å; V85-Y87 HydrophobicContact CG1-CE1 3.77Å; V85-Y87 HydrophobicContact CG1-CE2 3.63Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.45Å; Y87-W100 HydrophobicContact CG-CE3 4.13Å; Y87-W100 HydrophobicContact CG-CZ3 4.37Å
88	C	96.7	Very high	89.5	Confident	15 Å²	15	52.4 Å²	52.4	10%	0.101	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	148.2	158.5	62.4	0	0	0	0	109.6	C14 M26 H27 W28 W100 G101	C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 2.91Å; C14-C88 WeakPolarHBondContact SG-CB 3.43Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.43Å; M26-C88 HydrophobicContact CG-CB 4.45Å; M26-C88 HydrophobicContact SD-CB 3.96Å; H27-C88 CarbonylContact O-C 3.56Å; H27-C88 WeakPolarHBondContact O-CA 3.42Å; W28-C88 HydrophobicContact CD2-CB 4.44Å; W28-C88 HydrophobicContact CE3-CB 4.31Å; W28-C88 HydrophobicContact CH2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.29Å; C88-W100 WeakPolarHBondContact O-CA 3.42Å; C88-G101 PolarHBondContact O-N 3.48Å
89	A	95.6	Very high	89	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.008	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	145.5	174.4	0	0	0	0	0	110.2	H27 F97 Y99 W100	H27-A89 WeakPolarHBondContact CB-O 3.43Å; H27-A89 PolarHBondContact N-O 3.27Å; H27-A89 PolarHBondContact O-N 3.43Å; A89-F97 HydrophobicContact CB-CD1 3.58Å; A89-F97 HydrophobicContact CB-CE1 4.22Å; A89-Y99 VanDerWaalsContact CA-O 3.23Å; A89-Y99 WeakPolarHBondContact CA-O 3.42Å; A89-Y99 WeakPolarHBondContact CB-O 3.43Å; A89-W100 HydrophobicContact CB-CD2 3.67Å; A89-W100 HydrophobicContact CB-CE3 3.94Å; A89-W100 HydrophobicContact CB-CG 4.04Å; A89-W100 HydrophobicContact CB-CH2 4.42Å; A89-W100 HydrophobicContact CB-CZ2 4.19Å; A89-W100 HydrophobicContact CB-CZ3 4.31Å
90	R	92.8	Very high	89	Confident	30 Å²	30	61.5 Å²	61.5	11%	0.113	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	150.6	179.4	78	-177.8	-178.2	-178.5	-4.9	111.5	Y24 W25 M26 F97 Y99	Y24-R90 HydrophobicContact CD1-CB 4.13Å; Y24-R90 HydrophobicContact CD1-CG 3.92Å; Y24-R90 HydrophobicContact CE1-CG 4.34Å; Y24-R90 HydrophobicContact CG-CB 4.44Å; W25-R90 WeakPolarHBondContact O-CA 3.48Å; M26-R90 HydrophobicContact CE-CB 4.11Å; R90-F97 WeakPolarHBondContact O-CA 3.35Å; R90-F97 PolarHBondContact O-N 3Å; R90-Y99 VanDerWaalsContact CZ-CD2 3.46Å; R90-Y99 PolarHBondContact N-O 2.61Å
91	S	90.5	Very high	88.9	Confident	4 Å²	4	58.7 Å²	58.7	3%	0.028	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	161.9	172.3	71.4	0	0	0	0	111.7	Y24 W25 H27 T95	Y24-S91 CarbonylContact C-O 3.53Å; Y24-S91 VanDerWaalsContact CA-O 3.26Å; Y24-S91 WeakPolarHBondContact CA-O 3.48Å; Y24-S91 WeakPolarHBondContact CB-O 3.29Å; Y24-S91 WeakPolarHBondContact CD1-O 3.49Å; W25-S91 PolarHBondContact N-O 2.78Å; W25-S91 PolarHBondContact O-N 2.92Å; H27-S91 PolarHBondContact CD2-OG 2.81Å; H27-S91 VanDerWaalsContact CD2-OG 3.31Å; H27-S91 PolarHBondContact NE2-OG 3.32Å; S91-T95 WeakPolarHBondContact CA-O 3.38Å; S91-T95 WeakPolarHBondContact CB-O 3.32Å
92	R	85.6	Confident	89	Confident	100 Å²	100	61.5 Å²	61.5	38%	0.377	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	171.9	166.6	-84.1	177.5	172.2	-170.1	3	109.3	S23 Y24 T94 T95	S23-R92 PolarHBondContact O-NE 2.85Å; Y24-R92 HydrophobicContact CD1-CG 3.53Å; Y24-R92 HydrophobicContact CE1-CG 3.54Å; Y24-R92 VanDerWaalsContact CE1-NE 3.28Å; Y24-R92 VanDerWaalsContact CE2-NH2 3.28Å; Y24-R92 HydrophobicContact CG-CG 4.16Å; Y24-R92 PolarHBondContact OH-NE 2.97Å; Y24-R92 PolarHBondContact OH-NH2 3.16Å; R92-T94 PolarHBondContact O-N 3.44Å; R92-T94 VanDerWaalsContact O-N 3.1Å; R92-T95 PolarHBondContact N-O 3.09Å; R92-T95 PolarHBondContact O-N 3.46Å
93	V	74.4	Confident	89	Confident	129 Å²	129	62.3 Å²	62.3	78%	0.782	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-33.1	174.3	-179	0	0	0	0	112.2
94	T	73	Confident	88.9	Confident	122 Å²	122	63 Å²	63	75%	0.748	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-8.5	-175.3	55.8	0	0	0	0	114.6	R92	R92-T94 PolarHBondContact O-N 3.44Å; R92-T94 VanDerWaalsContact O-N 3.1Å
95	T	71.9	Confident	88.9	Confident	54 Å²	54	65.8 Å²	65.8	33%	0.331	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	129.3	-176.9	63.1	0	0	0	0	110.4	S91 R92 D98	S91-T95 WeakPolarHBondContact CA-O 3.38Å; S91-T95 WeakPolarHBondContact CB-O 3.32Å; R92-T95 PolarHBondContact N-O 3.09Å; R92-T95 PolarHBondContact O-N 3.46Å; T95-D98 WeakPolarHBondContact CB-OD1 3.46Å; T95-D98 VanDerWaalsContact OG1-CG 3.26Å; T95-D98 PolarHBondContact OG1-OD1 3Å; T95-D98 PolarHBondContact OG1-OD2 3.33Å
96	V	74.8	Confident	88.9	Confident	109 Å²	109	64.1 Å²	64.1	66%	0.661	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.1	-171.7	-172.9	0	0	0	0	109.2	D98	V96-D98 VanDerWaalsContact C-N 3.3Å; V96-D98 PolarHBondContact N-OD1 3.3Å; V96-D98 PolarHBondContact O-N 3.2Å
97	F	79.2	Confident	88.8	Confident	61 Å²	61	67 Å²	67	27%	0.268	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.9	35.5	173.8	-59.4	-58.4	0	0	0	115.7	H27 A89 R90 Y99 W100	H27-F97 HydrophobicContact CB-CD1 4.31Å; H27-F97 HydrophobicContact CB-CE1 3.43Å; H27-F97 VanDerWaalsContact CB-CE1 3.43Å; H27-F97 HydrophobicContact CB-CZ 4.24Å; H27-F97 AromaticContact CD2-CE1 3.92Å; H27-F97 AromaticContact CG-CE1 3.36Å; H27-F97 AromaticContact CG-CZ 3.93Å; H27-F97 AromaticContact ND1-CE1 3.54Å; H27-F97 AromaticContact ND1-CZ 3.59Å; A89-F97 HydrophobicContact CB-CD1 3.58Å; A89-F97 HydrophobicContact CB-CE1 4.22Å; R90-F97 WeakPolarHBondContact O-CA 3.35Å; R90-F97 PolarHBondContact O-N 3Å; F97-Y99 PolarHBondContact O-N 3.08Å; F97-W100 HydrophobicContact CB-CZ2 3.88Å; F97-W100 HydrophobicContact CD1-CZ2 4.13Å; F97-W100 AromaticContact CG-CZ2 3.96Å; F97-W100 HydrophobicContact CG-CZ2 3.96Å; F97-W100 PolarHBondContact O-NE1 3.22Å
98	D	80.3	Confident	88.8	Confident	62 Å²	62	65.1 Å²	65.1	33%	0.332	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	-22.2	-175	12.3	-53.7	0	0	0	113.3	T95 V96	T95-D98 WeakPolarHBondContact CB-OD1 3.46Å; T95-D98 VanDerWaalsContact OG1-CG 3.26Å; T95-D98 PolarHBondContact OG1-OD1 3Å; T95-D98 PolarHBondContact OG1-OD2 3.33Å; V96-D98 VanDerWaalsContact C-N 3.3Å; V96-D98 PolarHBondContact N-OD1 3.3Å; V96-D98 PolarHBondContact O-N 3.2Å
99	Y	87.7	Confident	88.5	Confident	147 Å²	147	67 Å²	67	58%	0.576	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.5	136.7	175.9	-66.6	-99.6	0	0	0	111.9	A89 R90 F97	A89-Y99 VanDerWaalsContact CA-O 3.23Å; A89-Y99 WeakPolarHBondContact CA-O 3.42Å; A89-Y99 WeakPolarHBondContact CB-O 3.43Å; R90-Y99 VanDerWaalsContact CZ-CD2 3.46Å; R90-Y99 PolarHBondContact N-O 2.61Å; F97-Y99 PolarHBondContact O-N 3.08Å
100	W	94.3	Very high	87.7	Confident	103 Å²	103	74.4 Å²	74.4	39%	0.39	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	142.7	-179.7	-67	70.1	0	0	0	110.5	V29 L37 Y87 C88 A89 F97	V29-W100 HydrophobicContact CB-CH2 4.2Å; V29-W100 HydrophobicContact CB-CZ3 3.86Å; V29-W100 HydrophobicContact CG1-CH2 4.17Å; V29-W100 HydrophobicContact CG1-CZ3 4.06Å; V29-W100 HydrophobicContact CG2-CH2 3.78Å; V29-W100 HydrophobicContact CG2-CZ3 3.83Å; L37-W100 HydrophobicContact CD1-CH2 3.9Å; L37-W100 HydrophobicContact CD1-CZ3 4.39Å; Y87-W100 HydrophobicContact CG-CE3 4.13Å; Y87-W100 HydrophobicContact CG-CZ3 4.37Å; C88-W100 WeakPolarHBondContact O-CA 3.42Å; A89-W100 HydrophobicContact CB-CD2 3.67Å; A89-W100 HydrophobicContact CB-CE3 3.94Å; A89-W100 HydrophobicContact CB-CG 4.04Å; A89-W100 HydrophobicContact CB-CH2 4.42Å; A89-W100 HydrophobicContact CB-CZ2 4.19Å; A89-W100 HydrophobicContact CB-CZ3 4.31Å; F97-W100 HydrophobicContact CB-CZ2 3.88Å; F97-W100 HydrophobicContact CD1-CZ2 4.13Å; F97-W100 AromaticContact CG-CZ2 3.96Å; F97-W100 HydrophobicContact CG-CZ2 3.96Å; F97-W100 PolarHBondContact O-NE1 3.22Å
101	G	93.8	Very high	87.5	Confident	28 Å²	28	76.7 Å²	76.7	29%	0.289	43%	0.428	S	S	.	.			trans	-69.4	163.2	165.3	0	0	0	0	0	111.2	C88 G103	C88-G101 PolarHBondContact O-N 3.48Å; G101-G103 PolarHBondContact O-N 3.32Å
102	Q	94.1	Very high	87.3	Confident	190 Å²	190	80.5 Å²	80.5	89%	0.888	45%	0.449	S	S	*	.			trans	-62.7	-14.6	180	-64.5	-62.3	-40.1	0	0	114
103	G	95.2	Very high	87.4	Confident	26 Å²	26	79.4 Å²	79.4	27%	0.268	45%	0.453	S	S	.	.			trans	83.2	154.1	-176	0	0	0	0	0	112.4	Y86 G101	Y86-G103 CarbonylContact O-C 3.4Å; Y86-G103 VanDerWaalsContact O-CA 3.24Å; Y86-G103 WeakPolarHBondContact O-CA 3.45Å; G101-G103 PolarHBondContact O-N 3.32Å
104	T	96.6	Very high	88.2	Confident	51 Å²	51	76.5 Å²	76.5	31%	0.313	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	117.4	175.9	-63.4	0	0	0	0	108.4	M12 Y86 L106	M12-T104 HydrophobicContact CE-CG2 3.29Å; Y86-T104 PolarHBondContact N-O 3Å; Y86-T104 PolarHBondContact O-N 2.93Å; T104-L106 PolarHBondContact O-N 3.23Å
105	T	97.3	Very high	89.1	Confident	64 Å²	64	73.6 Å²	73.6	39%	0.393	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	123.7	171.4	-48.9	0	0	0	0	109.6	A1 E2	A1-T105 CarbonylContact C-O 3.55Å; A1-T105 WeakPolarHBondContact CA-O 3.31Å; E2-T105 PolarHBondContact N-O 3.16Å
106	L	97.1	Very high	90.3	Very high	1 Å²	1	74.9 Å²	74.9	1%	0.005	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.3	167.1	174.7	64.7	0	0	0	108.2	E2 A4 V10 L75 L78 S83 A84 Y86 T104 V108	E2-L106 HydrophobicContact CB-CD1 3.85Å; E2-L106 HydrophobicContact CG-CD1 4.1Å; E2-L106 WeakPolarHBondContact O-CA 3.3Å; A4-L106 HydrophobicContact CB-CD1 4.09Å; V10-L106 HydrophobicContact CG1-CD1 4.19Å; V10-L106 HydrophobicContact CG1-CD2 3.91Å; V10-L106 HydrophobicContact CG2-CD1 4.49Å; L75-L106 HydrophobicContact CD1-CD2 4.09Å; L78-L106 HydrophobicContact CD1-CD2 4.42Å; L78-L106 HydrophobicContact CD2-CD2 3.92Å; S83-L106 VanDerWaalsContact CA-O 3.29Å; S83-L106 WeakPolarHBondContact CA-O 3.49Å; A84-L106 PolarHBondContact N-O 3.41Å; A84-L106 VanDerWaalsContact N-O 3.08Å; A84-L106 PolarHBondContact O-N 2.78Å; Y86-L106 HydrophobicContact CD2-CB 3.97Å; Y86-L106 HydrophobicContact CD2-CD2 4.5Å; Y86-L106 HydrophobicContact CE2-CB 3.8Å; Y86-L106 HydrophobicContact CE2-CD2 3.77Å; Y86-L106 HydrophobicContact CE2-CG 4.4Å; T104-L106 PolarHBondContact O-N 3.23Å; L106-V108 HydrophobicContact CD1-CG2 4.48Å; L106-V108 HydrophobicContact CD2-CG2 4.27Å; L106-V108 HydrophobicContact CG-CG2 4.12Å
107	T	97	Very high	91.4	Very high	63 Å²	63	72.5 Å²	72.5	39%	0.387	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.3	172.2	-57.8	0	0	0	0	108.8	E2 L3 A4	E2-T107 PolarHBondContact O-N 2.88Å; L3-T107 HydrophobicContact CD1-CG2 4.04Å; A4-T107 PolarHBondContact N-O 2.66Å
108	V	96.1	Very high	92.3	Very high	8 Å²	8	73.4 Å²	73.4	5%	0.048	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	107.4	176.6	-172.4	0	0	0	0	108.7	A4 P6 L78 T79 D82 S83 L106	A4-V108 VanDerWaalsContact O-CA 3.31Å; A4-V108 WeakPolarHBondContact O-CA 3.23Å; P6-V108 HydrophobicContact CG-CG1 4.17Å; L78-V108 HydrophobicContact CB-CG1 4.12Å; L78-V108 HydrophobicContact CB-CG2 4.08Å; L78-V108 HydrophobicContact CD1-CG2 4.25Å; L78-V108 HydrophobicContact CD2-CG2 4.43Å; L78-V108 HydrophobicContact CG-CG2 4.5Å; T79-V108 WeakPolarHBondContact O-CB 2.82Å; T79-V108 WeakPolarHBondContact O-CG1 3.34Å; T79-V108 WeakPolarHBondContact O-CG2 3.41Å; D82-V108 HydrophobicContact CB-CG2 4.19Å; S83-V108 PolarHBondContact OG-N 3.28Å; L106-V108 HydrophobicContact CD1-CG2 4.48Å; L106-V108 HydrophobicContact CD2-CG2 4.27Å; L106-V108 HydrophobicContact CG-CG2 4.12Å
109	S	92.3	Very high	93.3	Very high	54 Å²	54	74.3 Å²	74.3	38%	0.378	42%	0.419	S	S	.	.			trans	-137.1	148.9	-178	62.2	0	0	0	0	111.5	A4 P6	A4-S109 PolarHBondContact O-N 2.79Å; A4-S109 VanDerWaalsContact O-N 3.1Å; P6-S109 WeakPolarHBondContact CD-O 3.34Å
110	S	78.3	Confident	93.8	Very high	157 Å²	157	67.7 Å²	67.7	100%	1.098	41%	0.405	S	S	*	.			trans	-70.9	0	173.6	56.7	0	0	0	0	112.3

Retrieved 110 of 110 residues in 29.6 ms (Link to these results)

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