X5J5A8_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5A8, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 115 aa.

						>X5J5A8_MOUSE|X5J5A8
AELVRPGASVTLSCKASGYTFTDYEMHWVKQTPVHGLEWIGAIDPETGGTAYNQKFKGKAILTADKSSSTAYMELRSLTSEDSAVYYCTRKLYYYGSSTGAYFDYWGQGTTLTVS
					

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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	77.2	Confident	94	Very high	114 Å²	114	77.7 Å²	77.7	94%	0.942	47%	0.469	S	S	*	.				0	132.9	0	0	0	0	0	0	107.8	T111	A1-T111 CarbonylContact C-O 3.57Å; A1-T111 WeakPolarHBondContact CA-O 3.44Å
2	E	87.9	Confident	94.3	Very high	81 Å²	81	72 Å²	72	38%	0.379	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.6	-175	-164.6	174.6	163.2	0	0	110.1	V4 V10 T111 L112 T113	E2-V4 HydrophobicContact CG-CG1 3.87Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.41Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.28Å; E2-T111 PolarHBondContact N-O 2.62Å; E2-L112 HydrophobicContact CB-CD1 4.08Å; E2-T113 PolarHBondContact O-N 2.76Å
3	L	94.8	Very high	94.6	Very high	123 Å²	123	72.8 Å²	72.8	64%	0.644	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	120.3	177	-179.5	66.2	0	0	0	108.5	T113 S115	L3-T113 WeakPolarHBondContact CA-O 3.48Å; L3-T113 HydrophobicContact CD1-CG2 3.64Å; L3-S115 WeakPolarHBondContact CD1-OG 3.38Å
4	V	95.9	Very high	94.7	Very high	19 Å²	19	68.6 Å²	68.6	12%	0.115	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	158.2	-175.7	-58.5	0	0	0	0	111.2	E2 A8 L78 L112 T113 V114 S115	E2-V4 HydrophobicContact CG-CG1 3.87Å; V4-A8 HydrophobicContact CB-CB 4.46Å; V4-L78 HydrophobicContact CG2-CD1 3.5Å; V4-L112 HydrophobicContact CG1-CD1 4.22Å; V4-L112 HydrophobicContact CG2-CD1 3.85Å; V4-T113 PolarHBondContact N-O 2.88Å; V4-V114 HydrophobicContact CG2-CB 4.43Å; V4-V114 HydrophobicContact CG2-CG1 4.43Å; V4-V114 HydrophobicContact CG2-CG2 3.85Å; V4-V114 WeakPolarHBondContact O-CA 3.43Å; V4-S115 PolarHBondContact O-N 2.66Å; V4-S115 VanDerWaalsContact O-N 3.13Å
5	R	96.1	Very high	94.9	Very high	201 Å²	201	74.6 Å²	74.6	76%	0.758	44%	0.438	S	S	*	.			trans	-83.6	151.7	177.7	-64.4	-178.7	-176.7	176.4	0.6	110.8	A8	R5-A8 WeakPolarHBondContact O-CB 3.3Å; R5-A8 PolarHBondContact O-N 3.04Å
6	P	97.2	Very high	94.8	Very high	77 Å²	77	70.6 Å²	70.6	50%	0.5	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	141.6	169.1	-25	33.8	0	0	0	112.2	A8 L78 V114	P6-A8 VanDerWaalsContact C-N 3.26Å; P6-A8 PolarHBondContact O-N 2.97Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.27Å; P6-V114 HydrophobicContact CB-CG1 4.41Å; P6-V114 HydrophobicContact CG-CG1 4.14Å
7	G	96.1	Very high	94.6	Very high	54 Å²	54	72.4 Å²	72.4	56%	0.557	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-11.9	-177.3	0	0	0	0	0	115	L78	G7-L78 PolarHBondContact N-O 2.86Å
8	A	96.7	Very high	94.4	Very high	33 Å²	33	73.3 Å²	73.3	27%	0.273	46%	0.46	S	S	.	.			trans	-69.2	165.9	175.5	0	0	0	0	0	112.2	V4 R5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.46Å; R5-A8 WeakPolarHBondContact O-CB 3.3Å; R5-A8 PolarHBondContact O-N 3.04Å; P6-A8 VanDerWaalsContact C-N 3.26Å; P6-A8 PolarHBondContact O-N 2.97Å; A8-S77 PolarHBondContact O-N 3.2Å; A8-L78 WeakPolarHBondContact O-CB 3.19Å; A8-L78 WeakPolarHBondContact O-CG 3.42Å; A8-L78 PolarHBondContact O-N 2.77Å
9	S	97.1	Very high	94	Very high	64 Å²	64	72 Å²	72	45%	0.448	45%	0.446	S	S	.	.			trans	-115.5	148.5	167.7	-57.3	0	0	0	0	109.7	L75	S9-L75 CarbonylContact C-O 3.5Å; S9-L75 WeakPolarHBondContact CA-O 3.3Å; S9-L75 WeakPolarHBondContact CB-O 3.38Å
10	V	97.2	Very high	94	Very high	6 Å²	6	72.4 Å²	72.4	4%	0.036	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	146.4	177.2	68.6	0	0	0	0	110.3	E2 L12 E74 L75 L78 L112	E2-V10 WeakPolarHBondContact OE1-CG2 3.41Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.28Å; V10-L12 HydrophobicContact CG1-CD2 4.49Å; V10-L12 HydrophobicContact CG2-CD2 4.09Å; V10-E74 CarbonylContact O-C 3.52Å; V10-E74 VanDerWaalsContact O-CA 3.31Å; V10-E74 WeakPolarHBondContact O-CA 3.31Å; V10-L75 HydrophobicContact CG1-CB 4.05Å; V10-L75 HydrophobicContact CG1-CD1 4.35Å; V10-L75 PolarHBondContact N-O 2.84Å; V10-L75 PolarHBondContact O-N 2.9Å; V10-L78 HydrophobicContact CB-CD1 4.21Å; V10-L78 HydrophobicContact CG1-CD1 3.79Å; V10-L112 HydrophobicContact CG1-CD1 4.14Å; V10-L112 HydrophobicContact CG1-CD2 3.84Å; V10-L112 HydrophobicContact CG2-CD1 4.48Å
11	T	97.9	Very high	94	Very high	83 Å²	83	69.2 Å²	69.2	51%	0.509	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	114.9	173	-59.1	0	0	0	0	109.8	Y72 M73	T11-Y72 HydrophobicContact CG2-CD1 4.07Å; T11-M73 WeakPolarHBondContact CA-O 3.15Å
12	L	97.8	Very high	94.8	Very high	9 Å²	9	65.6 Å²	65.6	5%	0.047	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	145	171.7	-53.7	-175	0	0	0	109.5	V10 W28 Y72 M73 L75 Y86 T110	V10-L12 HydrophobicContact CG1-CD2 4.49Å; V10-L12 HydrophobicContact CG2-CD2 4.09Å; L12-W28 HydrophobicContact CB-CH2 4.03Å; L12-W28 HydrophobicContact CB-CZ3 3.91Å; L12-Y72 CarbonylContact O-C 3.49Å; L12-Y72 VanDerWaalsContact O-CA 3.25Å; L12-Y72 WeakPolarHBondContact O-CA 3.29Å; L12-M73 HydrophobicContact CD1-CE 3.76Å; L12-M73 PolarHBondContact N-O 2.76Å; L12-M73 PolarHBondContact O-N 2.96Å; L12-L75 HydrophobicContact CD1-CD1 4.44Å; L12-Y86 HydrophobicContact CD1-CD1 4.25Å; L12-Y86 HydrophobicContact CD1-CD2 4.11Å; L12-Y86 HydrophobicContact CD1-CG 3.71Å; L12-T110 HydrophobicContact CD1-CG2 3.92Å; L12-T110 HydrophobicContact CD2-CG2 3.92Å; L12-T110 HydrophobicContact CG-CG2 4.42Å
13	S	97.6	Very high	94.9	Very high	82 Å²	82	65 Å²	65	57%	0.573	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.2	149.1	178.4	65.6	0	0	0	0	111.7	A71	S13-A71 CarbonylContact C-O 3.6Å; S13-A71 WeakPolarHBondContact CA-O 3.48Å
14	C	97	Very high	94.8	Very high	15 Å²	15	61 Å²	61	10%	0.101	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	105.2	176.5	179.6	0	0	0	0	109.2	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.83Å; C14-W28 HydrophobicContact CB-CZ2 4.01Å; C14-T70 WeakPolarHBondContact O-CA 3.19Å; C14-A71 PolarHBondContact N-O 2.95Å; 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 3.46Å; C14-C88 WeakPolarHBondContact SG-CB 3.46Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.82Å
15	K	96.8	Very high	94.6	Very high	158 Å²	158	62.6 Å²	62.6	69%	0.687	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	122.6	-179.7	-174.1	172.2	-176.5	177	0	110.6	T70	K15-T70 HydrophobicContact CB-CG2 4.45Å
16	A	93.6	Very high	94.6	Very high	10 Å²	10	53.1 Å²	53.1	8%	0.083	34%	0.341	C	S	.	.			trans	-75.3	147.9	174.1	0	0	0	0	0	111.4	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CD1 4.5Å; A16-Y19 HydrophobicContact CB-CE1 3.66Å; A16-Y19 HydrophobicContact CB-CE2 4.03Å; A16-Y19 VanDerWaalsContact CB-OH 3.27Å; A16-Y19 WeakPolarHBondContact CB-OH 3.43Å; A16-F21 HydrophobicContact CB-CB 4.18Å; A16-F21 HydrophobicContact CB-CD2 3.39Å; A16-F21 HydrophobicContact CB-CE2 4.04Å; A16-F21 HydrophobicContact CB-CG 4.09Å; A16-S69 WeakPolarHBondContact CB-O 3.42Å; A16-S69 PolarHBondContact N-O 2.97Å
17	S	91.7	Very high	94.6	Very high	101 Å²	101	50.1 Å²	50.1	71%	0.706	32%	0.32	S	S	*	.			trans	-153	141.8	175.1	60.9	0	0	0	0	110.4	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.46Å
18	G	90.2	Very high	94.7	Very high	89 Å²	89	47.8 Å²	47.8	92%	0.918	29%	0.294	S	S	*	.	S	Bend	trans	80.2	15.6	177	0	0	0	0	0	115.6
19	Y	88.3	Confident	94.7	Very high	49 Å²	49	46.5 Å²	46.5	19%	0.192	28%	0.283	C	S	.	.	S	Bend	trans	-159	163.9	174.9	63.8	-79.6	0	0	0	111.4	A16 S17 F21 Y24	A16-Y19 HydrophobicContact CB-CD1 4.5Å; A16-Y19 HydrophobicContact CB-CE1 3.66Å; A16-Y19 HydrophobicContact CB-CE2 4.03Å; A16-Y19 VanDerWaalsContact CB-OH 3.27Å; A16-Y19 WeakPolarHBondContact CB-OH 3.43Å; S17-Y19 WeakPolarHBondContact O-CD1 3.46Å; Y19-F21 HydrophobicContact CE2-CD2 4.47Å; Y19-F21 PolarHBondContact O-N 3.08Å; Y19-Y24 AromaticContact CD2-CD2 3.35Å; Y19-Y24 HydrophobicContact CD2-CD2 3.35Å; Y19-Y24 AromaticContact CD2-CE2 3.44Å; Y19-Y24 HydrophobicContact CD2-CE2 3.44Å; Y19-Y24 VanDerWaalsContact CD2-CE2 3.44Å; Y19-Y24 HydrophobicContact CD2-CG 4.16Å; Y19-Y24 AromaticContact CE2-CD2 3.65Å; Y19-Y24 HydrophobicContact CE2-CD2 3.65Å; Y19-Y24 HydrophobicContact CE2-CE2 4.16Å; Y19-Y24 HydrophobicContact CE2-CG 4.05Å; Y19-Y24 HydrophobicContact CG-CD2 4.45Å; Y19-Y24 HydrophobicContact CG-CE2 4.16Å
20	T	92.8	Very high	94.7	Very high	80 Å²	80	44.1 Å²	44.1	49%	0.491	26%	0.264	S	S	.	.			trans	-71.1	106.7	170.7	-52.8	0	0	0	0	109.5	T22 D23 Y24	T20-T22 WeakPolarHBondContact CG2-OG1 3.39Å; T20-T22 PolarHBondContact O-N 3.25Å; T20-D23 VanDerWaalsContact CB-OD2 3.24Å; T20-D23 WeakPolarHBondContact CB-OD2 3.33Å; T20-D23 WeakPolarHBondContact CG2-OD1 2.97Å; T20-D23 PolarHBondContact O-N 2.78Å; T20-D23 VanDerWaalsContact O-N 3.09Å; T20-Y24 WeakPolarHBondContact O-CD2 3.44Å
21	F	93.9	Very high	94.7	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.026	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-55.6	-35.9	-173.9	178.3	-125.2	0	0	0	114	A16 Y19 D23 M26 P45 A64 A71	A16-F21 HydrophobicContact CB-CB 4.18Å; A16-F21 HydrophobicContact CB-CD2 3.39Å; A16-F21 HydrophobicContact CB-CE2 4.04Å; A16-F21 HydrophobicContact CB-CG 4.09Å; Y19-F21 HydrophobicContact CE2-CD2 4.47Å; Y19-F21 PolarHBondContact O-N 3.08Å; F21-D23 VanDerWaalsContact C-N 3.28Å; F21-D23 PolarHBondContact O-N 2.72Å; F21-M26 HydrophobicContact CD2-CG 4.34Å; F21-M26 HydrophobicContact CD2-SD 4.26Å; F21-M26 HydrophobicContact CE2-CG 3.48Å; F21-M26 VanDerWaalsContact CE2-CG 3.48Å; F21-M26 HydrophobicContact CE2-SD 3.79Å; F21-M26 HydrophobicContact CZ-CG 4.04Å; F21-P45 HydrophobicContact CD1-CB 3.76Å; F21-P45 HydrophobicContact CD1-CG 4.18Å; F21-P45 HydrophobicContact CD2-CG 4.33Å; F21-P45 HydrophobicContact CE1-CB 3.45Å; F21-P45 VanDerWaalsContact CE1-CB 3.45Å; F21-P45 HydrophobicContact CE1-CG 3.78Å; F21-P45 HydrophobicContact CE2-CG 3.95Å; F21-P45 HydrophobicContact CG-CB 4.43Å; F21-P45 HydrophobicContact CG-CG 4.46Å; F21-P45 HydrophobicContact CZ-CB 3.86Å; F21-P45 HydrophobicContact CZ-CG 3.65Å; F21-A64 HydrophobicContact CE1-CB 4.19Å; F21-A64 HydrophobicContact CZ-CB 4.25Å; F21-A71 HydrophobicContact CE2-CB 4.41Å; F21-A71 HydrophobicContact CZ-CB 4.04Å
22	T	93.9	Very high	94.6	Very high	37 Å²	37	44 Å²	44	23%	0.227	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-75.6	-10.1	-178.4	50.5	0	0	0	0	114.3	T20 Y24 E46 K66	T20-T22 WeakPolarHBondContact CG2-OG1 3.39Å; T20-T22 PolarHBondContact O-N 3.25Å; T22-Y24 PolarHBondContact O-N 3.12Å; T22-E46 HydrophobicContact CG2-CB 4.48Å; T22-E46 WeakPolarHBondContact CG2-OE2 3.22Å; T22-K66 HydrophobicContact CG2-CD 4.21Å; T22-K66 HydrophobicContact CG2-CG 4.22Å
23	D	91.3	Very high	94.2	Very high	70 Å²	70	50 Å²	50	37%	0.374	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-82.5	0.6	177.9	-65.5	-6.8	0	0	0	112.6	T20 F21 Y93	T20-D23 VanDerWaalsContact CB-OD2 3.24Å; T20-D23 WeakPolarHBondContact CB-OD2 3.33Å; T20-D23 WeakPolarHBondContact CG2-OD1 2.97Å; T20-D23 PolarHBondContact O-N 2.78Å; T20-D23 VanDerWaalsContact O-N 3.09Å; F21-D23 VanDerWaalsContact C-N 3.28Å; F21-D23 PolarHBondContact O-N 2.72Å; D23-Y93 PolarHBondContact O-N 2.62Å
24	Y	91	Very high	93.7	Very high	39 Å²	39	51.9 Å²	51.9	15%	0.153	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	142.4	-171.5	-62.8	-101	0	0	0	112.4	Y19 T20 T22 P45 R90 K91 L92	Y19-Y24 AromaticContact CD2-CD2 3.35Å; Y19-Y24 HydrophobicContact CD2-CD2 3.35Å; Y19-Y24 AromaticContact CD2-CE2 3.44Å; Y19-Y24 HydrophobicContact CD2-CE2 3.44Å; Y19-Y24 VanDerWaalsContact CD2-CE2 3.44Å; Y19-Y24 HydrophobicContact CD2-CG 4.16Å; Y19-Y24 AromaticContact CE2-CD2 3.65Å; Y19-Y24 HydrophobicContact CE2-CD2 3.65Å; Y19-Y24 HydrophobicContact CE2-CE2 4.16Å; Y19-Y24 HydrophobicContact CE2-CG 4.05Å; Y19-Y24 HydrophobicContact CG-CD2 4.45Å; Y19-Y24 HydrophobicContact CG-CE2 4.16Å; T20-Y24 WeakPolarHBondContact O-CD2 3.44Å; T22-Y24 PolarHBondContact O-N 3.12Å; Y24-P45 WeakPolarHBondContact O-CD 3.44Å; Y24-P45 WeakPolarHBondContact O-CG 3.47Å; Y24-R90 HydrophobicContact CD1-CB 4.07Å; Y24-R90 HydrophobicContact CD1-CG 3.94Å; Y24-R90 HydrophobicContact CE1-CG 4.38Å; Y24-R90 HydrophobicContact CG-CB 4.36Å; Y24-K91 CarbonylContact C-O 3.39Å; Y24-K91 WeakPolarHBondContact CA-O 3.38Å; Y24-L92 HydrophobicContact CD1-CB 4.07Å; Y24-L92 HydrophobicContact CD1-CD1 4.07Å; Y24-L92 HydrophobicContact CD2-CD1 4.44Å; Y24-L92 HydrophobicContact CE1-CB 3.83Å; Y24-L92 HydrophobicContact CE1-CD1 3.5Å; Y24-L92 VanDerWaalsContact CE1-CD1 3.5Å; Y24-L92 HydrophobicContact CE1-CG 4.26Å; Y24-L92 HydrophobicContact CE2-CD1 3.91Å
25	E	93.3	Very high	93.2	Very high	52 Å²	52	57.6 Å²	57.6	24%	0.243	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	138.9	161.9	-64.4	-177.1	136.1	0	0	109.8	H27 D44 R90 K91 Y93	E25-H27 IonicContact OE2-CE1 2.78Å; E25-H27 IonicContact OE2-NE2 2.58Å; E25-D44 HydrophobicContact CG-CB 4.49Å; E25-R90 CarbonylContact O-C 3.53Å; E25-R90 VanDerWaalsContact O-CA 3.29Å; E25-R90 WeakPolarHBondContact O-CA 3.22Å; E25-K91 PolarHBondContact N-O 2.78Å; E25-K91 PolarHBondContact O-N 3.39Å; E25-K91 IonicContact OE2-NZ 3.88Å; E25-Y93 HydrophobicContact CG-CD2 4.25Å; E25-Y93 HydrophobicContact CG-CE2 4.18Å
26	M	95.9	Very high	93	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	116.8	174.8	-65	-59.1	-54.5	0	0	109.8	F21 A42 I43 P45 A71 C88 R90	F21-M26 HydrophobicContact CD2-CG 4.34Å; F21-M26 HydrophobicContact CD2-SD 4.26Å; F21-M26 HydrophobicContact CE2-CG 3.48Å; F21-M26 VanDerWaalsContact CE2-CG 3.48Å; F21-M26 HydrophobicContact CE2-SD 3.79Å; F21-M26 HydrophobicContact CZ-CG 4.04Å; M26-A42 CarbonylContact O-C 3.6Å; M26-A42 VanDerWaalsContact O-CA 3.23Å; M26-A42 WeakPolarHBondContact O-CA 3.43Å; M26-I43 HydrophobicContact CB-CG2 3.97Å; M26-I43 PolarHBondContact N-O 3.13Å; M26-I43 PolarHBondContact O-N 3.09Å; M26-P45 HydrophobicContact CG-CG 3.88Å; M26-A71 HydrophobicContact CB-CB 3.89Å; M26-A71 HydrophobicContact CG-CB 3.98Å; M26-C88 HydrophobicContact CE-CB 4.32Å; M26-R90 HydrophobicContact SD-CB 3.99Å
27	H	96.7	Very high	93.1	Very high	13 Å²	13	55.6 Å²	55.6	6%	0.06	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	148.1	-178.7	-61.6	-113.2	0	0	0	111	E25 W39 G41 A42 C88 T89 F103	E25-H27 IonicContact OE2-CE1 2.78Å; E25-H27 IonicContact OE2-NE2 2.58Å; H27-W39 AromaticContact CG-NE1 3.9Å; H27-W39 AromaticContact ND1-CE2 3.96Å; H27-W39 AromaticContact ND1-NE1 3.23Å; H27-W39 PolarHBondContact ND1-NE1 2.76Å; H27-G41 WeakPolarHBondContact CA-O 3.03Å; H27-A42 WeakPolarHBondContact ND1-CB 3.37Å; H27-C88 CarbonylContact O-C 3.56Å; H27-C88 VanDerWaalsContact O-CA 3.22Å; H27-C88 WeakPolarHBondContact O-CA 3.25Å; H27-T89 HydrophobicContact CB-CG2 3.73Å; H27-T89 PolarHBondContact N-O 3.29Å; H27-T89 PolarHBondContact O-N 2.79Å; H27-F103 HydrophobicContact CB-CE1 3.8Å; H27-F103 HydrophobicContact CB-CZ 4.38Å; H27-F103 AromaticContact CD2-CE1 3.59Å; H27-F103 AromaticContact CE1-CE1 3.78Å; H27-F103 AromaticContact CG-CE1 3.38Å; H27-F103 AromaticContact ND1-CE1 3.49Å; H27-F103 WeakPolarHBondContact ND1-CE1 3.43Å; H27-F103 AromaticContact ND1-CZ 3.75Å; H27-F103 AromaticContact NE2-CE1 3.82Å
28	W	97.9	Very high	93.3	Very high	5 Å²	5	52.2 Å²	52.2	2%	0.019	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	135.9	176.5	-68.5	91.6	0	0	0	110.6	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.03Å; L12-W28 HydrophobicContact CB-CZ3 3.91Å; C14-W28 HydrophobicContact CB-CH2 3.83Å; C14-W28 HydrophobicContact CB-CZ2 4.01Å; W28-I40 HydrophobicContact CB-CB 4.12Å; W28-I40 HydrophobicContact CB-CD1 4.27Å; W28-I40 WeakPolarHBondContact O-CB 3.43Å; W28-I40 PolarHBondContact O-N 3.09Å; W28-G41 PolarHBondContact N-O 2.95Å; W28-L62 HydrophobicContact CG-CD2 4.17Å; W28-A71 HydrophobicContact CZ2-CB 4.35Å; W28-M73 HydrophobicContact CB-CE 4.46Å; W28-M73 HydrophobicContact CB-SD 3.79Å; W28-M73 HydrophobicContact CD2-CB 3.69Å; W28-M73 HydrophobicContact CD2-CE 4.16Å; W28-M73 HydrophobicContact CD2-CG 4.47Å; W28-M73 HydrophobicContact CD2-SD 4.05Å; W28-M73 HydrophobicContact CE3-CB 4.04Å; W28-M73 HydrophobicContact CE3-CE 3.7Å; W28-M73 HydrophobicContact CE3-SD 4.22Å; W28-M73 HydrophobicContact CG-CB 4.14Å; W28-M73 HydrophobicContact CG-SD 3.89Å; W28-M73 HydrophobicContact CH2-CB 4.18Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.27Å; W28-M73 HydrophobicContact CZ3-CE 4.26Å; W28-Y87 WeakPolarHBondContact CA-O 3.41Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.28Å; W28-C88 HydrophobicContact CH2-CB 4.43Å; W28-C88 HydrophobicContact CZ3-CB 4.26Å
29	V	97.6	Very high	93.6	Very high	6 Å²	6	51.8 Å²	51.8	4%	0.036	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	132.1	-176	-175.2	0	0	0	0	109.6	L37 E38 Y86 Y87 T89 W106	V29-L37 HydrophobicContact CG1-CB 3.95Å; V29-L37 HydrophobicContact CG1-CD2 3.83Å; V29-L37 HydrophobicContact CG1-CG 4.43Å; V29-E38 WeakPolarHBondContact CA-O 3.44Å; V29-E38 WeakPolarHBondContact CG1-O 3.33Å; V29-Y86 WeakPolarHBondContact O-CA 3.37Å; V29-Y87 PolarHBondContact N-O 2.89Å; V29-Y87 PolarHBondContact O-N 3.25Å; V29-T89 HydrophobicContact CG2-CG2 4.25Å; V29-W106 HydrophobicContact CB-CH2 4.05Å; V29-W106 HydrophobicContact CB-CZ3 3.84Å; V29-W106 HydrophobicContact CG1-CH2 3.95Å; V29-W106 HydrophobicContact CG1-CZ3 3.96Å; V29-W106 HydrophobicContact CG2-CH2 3.78Å; V29-W106 HydrophobicContact CG2-CZ3 3.96Å
30	K	97.1	Very high	94	Very high	14 Å²	14	49.5 Å²	49.5	6%	0.061	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	132.8	171.9	-176.1	-177.4	-178.8	-174.6	0	108.9	T32 L37 E38 I40 F56 E81 D82 A84 Y86	K30-T32 HydrophobicContact CD-CG2 4.25Å; K30-T32 HydrophobicContact CG-CG2 4.26Å; K30-L37 CarbonylContact O-C 3.4Å; K30-L37 WeakPolarHBondContact O-CA 3.31Å; K30-E38 HydrophobicContact CB-CB 4.46Å; K30-E38 PolarHBondContact N-O 3.4Å; K30-E38 PolarHBondContact O-N 2.87Å; K30-I40 HydrophobicContact CB-CD1 3.99Å; K30-I40 HydrophobicContact CB-CG1 4.12Å; K30-F56 HydrophobicContact CB-CZ 4.38Å; K30-F56 HydrophobicContact CD-CE1 3.98Å; K30-F56 HydrophobicContact CD-CZ 3.93Å; K30-E81 PolarHBondContact NZ-O 3.3Å; K30-D82 IonicContact NZ-OD1 2.78Å; K30-A84 HydrophobicContact CD-CB 4.19Å; K30-A84 HydrophobicContact CG-CB 3.52Å; K30-Y86 HydrophobicContact CB-CD1 4.2Å; K30-Y86 HydrophobicContact CB-CE1 3.92Å; K30-Y86 HydrophobicContact CD-CE1 4.21Å; K30-Y86 HydrophobicContact CG-CD1 4.38Å; K30-Y86 HydrophobicContact CG-CE1 3.83Å
31	Q	97.3	Very high	94.2	Very high	72 Å²	72	45.7 Å²	45.7	34%	0.336	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.6	171.1	-169	-177.9	24.4	0	0	110.3	G36 L37 A84 V85 Y87	Q31-G36 VanDerWaalsContact CA-O 3.3Å; Q31-G36 WeakPolarHBondContact CA-O 3.31Å; Q31-L37 HydrophobicContact CB-CD2 3.76Å; Q31-L37 HydrophobicContact CG-CD2 3.81Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.42Å; Q31-V85 HydrophobicContact CB-CB 4.43Å; Q31-V85 PolarHBondContact N-O 3.18Å; Q31-V85 PolarHBondContact O-N 3.09Å; Q31-V85 VanDerWaalsContact O-N 3.07Å; Q31-Y87 HydrophobicContact CB-CD2 4.26Å; Q31-Y87 HydrophobicContact CB-CE2 3.67Å; Q31-Y87 HydrophobicContact CG-CE2 4.46Å; Q31-Y87 PolarHBondContact OE1-OH 2.85Å
32	T	95	Very high	94.4	Very high	16 Å²	16	45.5 Å²	45.5	10%	0.098	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	149.9	170.7	68.5	0	0	0	0	110.5	K30 V34 H35 G36 A84	K30-T32 HydrophobicContact CD-CG2 4.25Å; K30-T32 HydrophobicContact CG-CG2 4.26Å; T32-V34 PolarHBondContact O-N 3.07Å; T32-H35 WeakPolarHBondContact OG1-CB 3.14Å; T32-H35 PolarHBondContact OG1-N 2.89Å; T32-G36 PolarHBondContact N-O 2.86Å; T32-G36 WeakPolarHBondContact O-CA 3.06Å; T32-G36 PolarHBondContact O-N 2.84Å; T32-A84 HydrophobicContact CG2-CB 4.18Å
33	P	88.7	Confident	94.5	Very high	135 Å²	135	44 Å²	44	88%	0.877	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.8	174	-24.9	34.5	0	0	0	113.7
34	V	88.1	Confident	94.7	Very high	120 Å²	120	40.9 Å²	40.9	73%	0.727	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-46.5	-173.5	-177.5	0	0	0	0	112.3	T32	T32-V34 PolarHBondContact O-N 3.07Å
35	H	85.7	Confident	95	Very high	135 Å²	135	39.2 Å²	39.2	63%	0.625	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-1.2	-171.9	-57.1	97.8	0	0	0	113.6	T32	T32-H35 WeakPolarHBondContact OG1-CB 3.14Å; T32-H35 PolarHBondContact OG1-N 2.89Å
36	G	93.1	Very high	95.1	Very high	30 Å²	30	41.5 Å²	41.5	31%	0.309	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	68.9	-139.5	-176.7	0	0	0	0	0	111.8	Q31 T32	Q31-G36 VanDerWaalsContact CA-O 3.3Å; Q31-G36 WeakPolarHBondContact CA-O 3.31Å; T32-G36 PolarHBondContact N-O 2.86Å; T32-G36 WeakPolarHBondContact O-CA 3.06Å; T32-G36 PolarHBondContact O-N 2.84Å
37	L	95.1	Very high	95	Very high	97 Å²	97	46.1 Å²	46.1	51%	0.508	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	122.5	-177.2	-64.5	171.8	0	0	0	111.3	V29 K30 Q31 W106	V29-L37 HydrophobicContact CG1-CB 3.95Å; V29-L37 HydrophobicContact CG1-CD2 3.83Å; V29-L37 HydrophobicContact CG1-CG 4.43Å; K30-L37 CarbonylContact O-C 3.4Å; K30-L37 WeakPolarHBondContact O-CA 3.31Å; Q31-L37 HydrophobicContact CB-CD2 3.76Å; Q31-L37 HydrophobicContact CG-CD2 3.81Å; L37-W106 HydrophobicContact CD1-CH2 3.98Å; L37-W106 HydrophobicContact CD1-CZ3 4.48Å; L37-W106 HydrophobicContact CD2-CH2 4.33Å; L37-W106 HydrophobicContact CD2-CZ3 4.15Å
38	E	96.1	Very high	95	Very high	29 Å²	29	47.7 Å²	47.7	14%	0.136	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118	174.5	-65.7	-173.6	96.8	0	0	109.8	V29 K30 I40 K55 F56	V29-E38 WeakPolarHBondContact CA-O 3.44Å; V29-E38 WeakPolarHBondContact CG1-O 3.33Å; K30-E38 HydrophobicContact CB-CB 4.46Å; K30-E38 PolarHBondContact N-O 3.4Å; K30-E38 PolarHBondContact O-N 2.87Å; E38-I40 PolarHBondContact O-N 2.91Å; E38-K55 IonicContact OE1-NZ 2.76Å; E38-K55 PolarHBondContact OE1-NZ 2.83Å; E38-F56 HydrophobicContact CB-CE2 4.38Å; E38-F56 HydrophobicContact CB-CZ 4.43Å
39	W	96.2	Very high	94.9	Very high	81 Å²	81	49.2 Å²	49.2	31%	0.307	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	128.9	174.5	-179.5	71.7	0	0	0	110.6	H27 G41 A42 A51 N53	H27-W39 AromaticContact CG-NE1 3.9Å; H27-W39 AromaticContact ND1-CE2 3.96Å; H27-W39 AromaticContact ND1-NE1 3.23Å; H27-W39 PolarHBondContact ND1-NE1 2.76Å; W39-G41 VanDerWaalsContact CE2-C 3.45Å; W39-G41 PolarHBondContact NE1-O 3Å; W39-A42 HydrophobicContact CZ2-CB 3.91Å; W39-A51 HydrophobicContact CH2-CB 3.99Å; W39-A51 HydrophobicContact CZ2-CB 4.42Å; W39-N53 HydrophobicContact CE3-CB 3.86Å; W39-N53 HydrophobicContact CZ3-CB 4.1Å; W39-N53 WeakPolarHBondContact O-CB 3.39Å; W39-N53 PolarHBondContact O-ND2 2.83Å
40	I	97.7	Very high	94.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-50.6	-177.9	-60.2	174.7	0	0	0	110.1	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.12Å; W28-I40 HydrophobicContact CB-CD1 4.27Å; W28-I40 WeakPolarHBondContact O-CB 3.43Å; W28-I40 PolarHBondContact O-N 3.09Å; K30-I40 HydrophobicContact CB-CD1 3.99Å; K30-I40 HydrophobicContact CB-CG1 4.12Å; E38-I40 PolarHBondContact O-N 2.91Å; I40-N53 PolarHBondContact O-N 2.9Å; I40-F56 HydrophobicContact CB-CD2 4.26Å; I40-F56 HydrophobicContact CB-CG 4.21Å; I40-F56 HydrophobicContact CG1-CD1 4.17Å; I40-F56 HydrophobicContact CG1-CD2 4.22Å; I40-F56 HydrophobicContact CG1-CE1 4.1Å; I40-F56 HydrophobicContact CG1-CE2 4.13Å; I40-F56 HydrophobicContact CG1-CG 4.22Å; I40-F56 HydrophobicContact CG1-CZ 4.07Å; I40-F56 HydrophobicContact CG2-CB 3.71Å; I40-F56 HydrophobicContact CG2-CD1 4.07Å; I40-F56 HydrophobicContact CG2-CD2 4.29Å; I40-F56 HydrophobicContact CG2-CG 3.77Å; I40-A60 HydrophobicContact CG2-CB 3.74Å; I40-M73 HydrophobicContact CB-SD 4.46Å; I40-M73 HydrophobicContact CD1-CE 3.81Å; I40-M73 HydrophobicContact CD1-SD 3.62Å; I40-M73 HydrophobicContact CG2-SD 3.82Å; I40-Y86 HydrophobicContact CD1-CD1 3.71Å; I40-Y86 HydrophobicContact CD1-CE1 3.7Å
41	G	97.3	Very high	94.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.2	179.1	-173.5	0	0	0	0	0	112.6	H27 W28 W39 A51	H27-G41 WeakPolarHBondContact CA-O 3.03Å; W28-G41 PolarHBondContact N-O 2.95Å; W39-G41 VanDerWaalsContact CE2-C 3.45Å; W39-G41 PolarHBondContact NE1-O 3Å; G41-A51 CarbonylContact C-O 3.51Å; G41-A51 WeakPolarHBondContact CA-O 2.99Å
42	A	96.9	Very high	94.9	Very high	3 Å²	3	53.2 Å²	53.2	3%	0.025	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	151.2	175.3	0	0	0	0	0	110.6	M26 H27 W39 T50 A51	M26-A42 CarbonylContact O-C 3.6Å; M26-A42 VanDerWaalsContact O-CA 3.23Å; M26-A42 WeakPolarHBondContact O-CA 3.43Å; H27-A42 WeakPolarHBondContact ND1-CB 3.37Å; W39-A42 HydrophobicContact CZ2-CB 3.91Å; A42-T50 VanDerWaalsContact O-CA 3.3Å; A42-T50 WeakPolarHBondContact O-CA 3.2Å; A42-A51 PolarHBondContact N-O 2.78Å; A42-A51 PolarHBondContact O-N 2.92Å
43	I	97.2	Very high	94.9	Very high	5 Å²	5	54.6 Å²	54.6	3%	0.026	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	131.6	167.6	-176.5	164.6	0	0	0	109.1	M26 P45 G49 T50 L62 T63 A64 A71	M26-I43 HydrophobicContact CB-CG2 3.97Å; M26-I43 PolarHBondContact N-O 3.13Å; M26-I43 PolarHBondContact O-N 3.09Å; I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 3.35Å; I43-G49 WeakPolarHBondContact CA-O 3.45Å; I43-T50 HydrophobicContact CB-CG2 4.13Å; I43-T50 HydrophobicContact CD1-CG2 4.1Å; I43-T50 HydrophobicContact CG1-CG2 3.98Å; I43-L62 HydrophobicContact CB-CB 4.08Å; I43-L62 HydrophobicContact CG2-CB 4.41Å; I43-T63 VanDerWaalsContact CD1-CA 3.41Å; I43-A64 HydrophobicContact CD1-CB 3.82Å; I43-A64 HydrophobicContact CG1-CB 4.36Å; I43-A71 HydrophobicContact CG2-CB 4.44Å
44	D	95.9	Very high	95.3	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.027	31%	0.314	C	S	.	.			trans	-82.1	111.2	164.5	176	-4.1	0	0	0	108.1	E25 E46 T47 G48 G49 Y93	E25-D44 HydrophobicContact CG-CB 4.49Å; D44-E46 PolarHBondContact O-N 3.02Å; D44-E46 WeakPolarHBondContact OD1-CA 3.21Å; D44-E46 WeakPolarHBondContact OD1-CB 3.49Å; D44-E46 PolarHBondContact OD1-N 3.23Å; D44-T47 WeakPolarHBondContact CB-OG1 3.45Å; D44-T47 PolarHBondContact OD1-N 2.87Å; D44-T47 WeakPolarHBondContact OD2-CB 3.42Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.37Å; D44-T47 PolarHBondContact OD2-OG1 2.92Å; D44-G48 WeakPolarHBondContact O-CA 3.35Å; D44-G48 PolarHBondContact O-N 3.43Å; D44-G49 PolarHBondContact N-O 2.78Å; D44-Y93 PolarHBondContact OD2-OH 3.16Å
45	P	96.1	Very high	95.5	Very high	4 Å²	4	56 Å²	56	3%	0.026	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.4	178.6	-20.8	34.9	0	0	0	113.2	F21 Y24 M26 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.76Å; F21-P45 HydrophobicContact CD1-CG 4.18Å; F21-P45 HydrophobicContact CD2-CG 4.33Å; F21-P45 HydrophobicContact CE1-CB 3.45Å; F21-P45 VanDerWaalsContact CE1-CB 3.45Å; F21-P45 HydrophobicContact CE1-CG 3.78Å; F21-P45 HydrophobicContact CE2-CG 3.95Å; F21-P45 HydrophobicContact CG-CB 4.43Å; F21-P45 HydrophobicContact CG-CG 4.46Å; F21-P45 HydrophobicContact CZ-CB 3.86Å; F21-P45 HydrophobicContact CZ-CG 3.65Å; Y24-P45 WeakPolarHBondContact O-CD 3.44Å; Y24-P45 WeakPolarHBondContact O-CG 3.47Å; M26-P45 HydrophobicContact CG-CG 3.88Å; I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 3.35Å; P45-A64 HydrophobicContact CB-CB 4.08Å; P45-K66 WeakPolarHBondContact O-CE 3.21Å
46	E	94.9	Very high	96	Very high	100 Å²	100	50 Å²	50	47%	0.467	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-51	-177.7	-179.7	55.1	-166.3	0	0	111.8	T22 D44 K66	T22-E46 HydrophobicContact CG2-CB 4.48Å; T22-E46 WeakPolarHBondContact CG2-OE2 3.22Å; D44-E46 PolarHBondContact O-N 3.02Å; D44-E46 WeakPolarHBondContact OD1-CA 3.21Å; D44-E46 WeakPolarHBondContact OD1-CB 3.49Å; D44-E46 PolarHBondContact OD1-N 3.23Å; E46-K66 WeakPolarHBondContact O-CE 3Å; E46-K66 PolarHBondContact O-NZ 3Å; E46-K66 IonicContact OE1-NZ 3.79Å; E46-K66 IonicContact OE2-NZ 2.78Å; E46-K66 PolarHBondContact OE2-NZ 3.46Å
47	T	95.1	Very high	96	Very high	98 Å²	98	55 Å²	55	60%	0.601	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-19.3	-177.9	65.9	0	0	0	0	113.7	D44 G49	D44-T47 WeakPolarHBondContact CB-OG1 3.45Å; D44-T47 PolarHBondContact OD1-N 2.87Å; D44-T47 WeakPolarHBondContact OD2-CB 3.42Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.37Å; D44-T47 PolarHBondContact OD2-OG1 2.92Å; T47-G49 PolarHBondContact O-N 2.78Å; T47-G49 PolarHBondContact OG1-N 2.58Å; T47-G49 VanDerWaalsContact OG1-N 3.16Å
48	G	95.6	Very high	95.9	Very high	47 Å²	47	53.7 Å²	53.7	49%	0.485	31%	0.305	S	S	.	.			trans	74.7	5.7	-168.5	0	0	0	0	0	113.6	D44	D44-G48 WeakPolarHBondContact O-CA 3.35Å; D44-G48 PolarHBondContact O-N 3.43Å
49	G	96.6	Very high	95.9	Very high	36 Å²	36	54.6 Å²	54.6	37%	0.371	31%	0.308	S	S	.	.			trans	-60.9	137.8	176.5	0	0	0	0	0	111.4	I43 D44 T47	I43-G49 WeakPolarHBondContact CA-O 3.45Å; D44-G49 PolarHBondContact N-O 2.78Å; T47-G49 PolarHBondContact O-N 2.78Å; T47-G49 PolarHBondContact OG1-N 2.58Å; T47-G49 VanDerWaalsContact OG1-N 3.16Å
50	T	97.3	Very high	96	Very high	69 Å²	69	50.9 Å²	50.9	42%	0.423	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	141.9	179.1	54.3	0	0	0	0	111.9	A42 I43 Y52 L62	A42-T50 VanDerWaalsContact O-CA 3.3Å; A42-T50 WeakPolarHBondContact O-CA 3.2Å; I43-T50 HydrophobicContact CB-CG2 4.13Å; I43-T50 HydrophobicContact CD1-CG2 4.1Å; I43-T50 HydrophobicContact CG1-CG2 3.98Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.3Å; T50-L62 HydrophobicContact CG2-CB 4.14Å
51	A	96.5	Very high	96	Very high	48 Å²	48	53.3 Å²	53.3	40%	0.397	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	143.5	171.8	0	0	0	0	0	109.3	W39 G41 A42	W39-A51 HydrophobicContact CH2-CB 3.99Å; W39-A51 HydrophobicContact CZ2-CB 4.42Å; G41-A51 CarbonylContact C-O 3.51Å; G41-A51 WeakPolarHBondContact CA-O 2.99Å; A42-A51 PolarHBondContact N-O 2.78Å; A42-A51 PolarHBondContact O-N 2.92Å
52	Y	97.4	Very high	96.1	Very high	59 Å²	59	53.7 Å²	53.7	23%	0.231	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	145.8	-176.9	-67.4	-88.6	0	0	0	111.3	T50 A60 L62	T50-Y52 WeakPolarHBondContact OG1-CE2 3.3Å; Y52-A60 HydrophobicContact CE1-CB 4.28Å; Y52-A60 VanDerWaalsContact CE1-O 3.31Å; Y52-A60 WeakPolarHBondContact CE1-O 3.31Å; Y52-L62 HydrophobicContact CE1-CD1 4Å; Y52-L62 HydrophobicContact CE1-CG 3.72Å; Y52-L62 PolarHBondContact OH-N 3.05Å
53	N	96.4	Very high	96.1	Very high	45 Å²	45	57 Å²	57	24%	0.241	33%	0.328	C	S	.	.			trans	-70.9	136.9	156.7	179.7	-22.9	0	0	0	108.9	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.86Å; W39-N53 HydrophobicContact CZ3-CB 4.1Å; W39-N53 WeakPolarHBondContact O-CB 3.39Å; W39-N53 PolarHBondContact O-ND2 2.83Å; I40-N53 PolarHBondContact O-N 2.9Å; N53-K55 PolarHBondContact O-N 3.26Å; N53-K55 VanDerWaalsContact O-N 3.12Å; N53-K55 PolarHBondContact OD1-N 3.14Å; N53-K55 VanDerWaalsContact OD1-N 3.09Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 3.12Å; N53-K57 PolarHBondContact O-N 2.96Å; N53-K57 VanDerWaalsContact O-N 3.14Å
54	Q	95.4	Very high	96.2	Very high	142 Å²	142	58.4 Å²	58.4	66%	0.664	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-33.5	-177.4	-63.1	-58	-30.1	0	0	113	F56 K57	Q54-F56 PolarHBondContact O-N 3.45Å; Q54-K57 PolarHBondContact O-N 2.83Å
55	K	93.1	Very high	96.3	Very high	142 Å²	142	60.9 Å²	60.9	62%	0.617	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.3	177.2	-67.5	-171.5	-175.3	-178.1	0	113.7	E38 N53	E38-K55 IonicContact OE1-NZ 2.76Å; E38-K55 PolarHBondContact OE1-NZ 2.83Å; N53-K55 PolarHBondContact O-N 3.26Å; N53-K55 VanDerWaalsContact O-N 3.12Å; N53-K55 PolarHBondContact OD1-N 3.14Å; N53-K55 VanDerWaalsContact OD1-N 3.09Å
56	F	95.3	Very high	96.2	Very high	9 Å²	9	65.3 Å²	65.3	4%	0.039	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-5.7	-173.9	-62	-83.6	0	0	0	112.8	K30 E38 I40 N53 Q54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.38Å; K30-F56 HydrophobicContact CD-CE1 3.98Å; K30-F56 HydrophobicContact CD-CZ 3.93Å; E38-F56 HydrophobicContact CB-CE2 4.38Å; E38-F56 HydrophobicContact CB-CZ 4.43Å; I40-F56 HydrophobicContact CB-CD2 4.26Å; I40-F56 HydrophobicContact CB-CG 4.21Å; I40-F56 HydrophobicContact CG1-CD1 4.17Å; I40-F56 HydrophobicContact CG1-CD2 4.22Å; I40-F56 HydrophobicContact CG1-CE1 4.1Å; I40-F56 HydrophobicContact CG1-CE2 4.13Å; I40-F56 HydrophobicContact CG1-CG 4.22Å; I40-F56 HydrophobicContact CG1-CZ 4.07Å; I40-F56 HydrophobicContact CG2-CB 3.71Å; I40-F56 HydrophobicContact CG2-CD1 4.07Å; I40-F56 HydrophobicContact CG2-CD2 4.29Å; I40-F56 HydrophobicContact CG2-CG 3.77Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 3.12Å; Q54-F56 PolarHBondContact O-N 3.45Å; F56-G58 PolarHBondContact O-N 3.41Å; F56-K59 PolarHBondContact O-N 2.84Å; F56-A60 HydrophobicContact CB-CB 4.4Å; F56-A60 PolarHBondContact O-N 3.34Å
57	K	93.7	Very high	96.3	Very high	136 Å²	136	65.7 Å²	65.7	59%	0.591	39%	0.387	S	S	*	.	B	Isolated β-bridge	trans	-62	123	176.5	-167.5	174.6	-177.1	179.7	0	109.4	N53 Q54 K59	N53-K57 PolarHBondContact O-N 2.96Å; N53-K57 VanDerWaalsContact O-N 3.14Å; Q54-K57 PolarHBondContact O-N 2.83Å; K57-K59 VanDerWaalsContact C-N 3.27Å; K57-K59 PolarHBondContact O-N 2.87Å
58	G	92.9	Very high	96.3	Very high	70 Å²	70	62.8 Å²	62.8	72%	0.722	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-14.6	-175.1	0	0	0	0	0	114.8	F56	F56-G58 PolarHBondContact O-N 3.41Å
59	K	96.2	Very high	96.4	Very high	48 Å²	48	62.3 Å²	62.3	21%	0.209	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-40.5	173.4	-167.8	164.2	-166.4	174.3	0	112.6	F56 K57 R76 D82	F56-K59 PolarHBondContact O-N 2.84Å; K57-K59 VanDerWaalsContact C-N 3.27Å; K57-K59 PolarHBondContact O-N 2.87Å; K59-R76 PolarHBondContact O-N 3.47Å; K59-D82 VanDerWaalsContact CE-OD1 3.31Å; K59-D82 WeakPolarHBondContact CE-OD1 3.48Å; K59-D82 WeakPolarHBondContact CE-OD2 3.4Å; K59-D82 IonicContact NZ-OD1 3.29Å; K59-D82 PolarHBondContact NZ-OD1 2.85Å; K59-D82 IonicContact NZ-OD2 3.44Å; K59-D82 PolarHBondContact NZ-OD2 2.76Å
60	A	97.9	Very high	96.5	Very high	2 Å²	2	61 Å²	61	2%	0.017	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	141.3	176.1	0	0	0	0	0	110.9	I40 Y52 F56 M73 E74 L75	I40-A60 HydrophobicContact CG2-CB 3.74Å; Y52-A60 HydrophobicContact CE1-CB 4.28Å; Y52-A60 VanDerWaalsContact CE1-O 3.31Å; Y52-A60 WeakPolarHBondContact CE1-O 3.31Å; F56-A60 HydrophobicContact CB-CB 4.4Å; F56-A60 PolarHBondContact O-N 3.34Å; A60-M73 HydrophobicContact CB-CG 4.28Å; A60-M73 HydrophobicContact CB-SD 4.3Å; A60-E74 CarbonylContact C-O 3.52Å; A60-E74 VanDerWaalsContact CA-O 3.3Å; A60-E74 WeakPolarHBondContact CA-O 3.47Å; A60-L75 HydrophobicContact CB-CD2 4Å
61	I	98.3	Very high	96.5	Very high	51 Å²	51	57.7 Å²	57.7	26%	0.262	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.8	168.3	-60.5	174.8	0	0	0	107.8	T63 M73 E74 R76	I61-T63 HydrophobicContact CG2-CG2 4.3Å; I61-M73 CarbonylContact O-C 3.53Å; I61-M73 WeakPolarHBondContact O-CA 3.42Å; I61-E74 HydrophobicContact CB-CB 4.28Å; I61-E74 PolarHBondContact N-O 2.93Å; I61-E74 PolarHBondContact O-N 3.35Å; I61-R76 VanDerWaalsContact CD1-NH2 3.27Å
62	L	98.5	Very high	96.6	Very high	8 Å²	8	58.7 Å²	58.7	4%	0.042	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	131.5	-179.5	-51	-176.4	0	0	0	110.1	W28 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.17Å; I43-L62 HydrophobicContact CB-CB 4.08Å; I43-L62 HydrophobicContact CG2-CB 4.41Å; T50-L62 HydrophobicContact CG2-CB 4.14Å; Y52-L62 HydrophobicContact CE1-CD1 4Å; Y52-L62 HydrophobicContact CE1-CG 3.72Å; Y52-L62 PolarHBondContact OH-N 3.05Å; L62-Y72 WeakPolarHBondContact CA-O 3.37Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.57Å; L62-M73 HydrophobicContact CD2-SD 4.04Å
63	T	98.3	Very high	96.7	Very high	72 Å²	72	55.9 Å²	55.9	44%	0.442	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	162.7	174.1	63.7	0	0	0	0	110.4	I43 I61 Y72	I43-T63 VanDerWaalsContact CD1-CA 3.41Å; I61-T63 HydrophobicContact CG2-CG2 4.3Å; T63-Y72 PolarHBondContact N-O 3.25Å; T63-Y72 PolarHBondContact O-N 2.96Å
64	A	98.1	Very high	96.8	Very high	35 Å²	35	56 Å²	56	29%	0.289	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	140.1	178.2	0	0	0	0	0	109.8	F21 I43 P45 T70	F21-A64 HydrophobicContact CE1-CB 4.19Å; F21-A64 HydrophobicContact CZ-CB 4.25Å; I43-A64 HydrophobicContact CD1-CB 3.82Å; I43-A64 HydrophobicContact CG1-CB 4.36Å; P45-A64 HydrophobicContact CB-CB 4.08Å; A64-T70 WeakPolarHBondContact CA-O 3.31Å
65	D	97.8	Very high	96.9	Very high	57 Å²	57	49.2 Å²	49.2	31%	0.305	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	110.3	172.2	173.7	12.4	0	0	0	109	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 VanDerWaalsContact CG-OG 3.31Å; D65-S67 PolarHBondContact O-N 2.87Å; D65-S67 WeakPolarHBondContact OD1-CB 2.98Å; D65-S67 PolarHBondContact OD1-N 2.79Å; D65-S67 PolarHBondContact OD1-OG 2.88Å; D65-S67 PolarHBondContact OD2-OG 2.9Å; D65-S68 WeakPolarHBondContact CB-OG 3.25Å; D65-S68 VanDerWaalsContact OD2-CB 3.26Å; D65-S68 WeakPolarHBondContact OD2-CB 3.29Å; D65-S68 PolarHBondContact OD2-OG 2.92Å; D65-S69 WeakPolarHBondContact O-CA 3.05Å; D65-S69 PolarHBondContact O-N 2.88Å; D65-T70 PolarHBondContact N-O 3.4Å; D65-T70 PolarHBondContact O-N 2.84Å; D65-Y72 HydrophobicContact CB-CE2 4.05Å
66	K	95.7	Very high	97.1	Very high	98 Å²	98	47.7 Å²	47.7	43%	0.426	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-38.1	178.6	-63	-174.2	177.9	-165.9	0	111.6	T22 P45 E46 S68 S69	T22-K66 HydrophobicContact CG2-CD 4.21Å; T22-K66 HydrophobicContact CG2-CG 4.22Å; P45-K66 WeakPolarHBondContact O-CE 3.21Å; E46-K66 WeakPolarHBondContact O-CE 3Å; E46-K66 PolarHBondContact O-NZ 3Å; E46-K66 IonicContact OE1-NZ 3.79Å; E46-K66 IonicContact OE2-NZ 2.78Å; E46-K66 PolarHBondContact OE2-NZ 3.46Å; K66-S68 PolarHBondContact O-N 3.16Å; K66-S69 PolarHBondContact O-N 2.98Å
67	S	95.3	Very high	97.1	Very high	108 Å²	108	51.2 Å²	51.2	76%	0.755	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-39.9	-173.2	73.4	0	0	0	0	112.1	D65	D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 VanDerWaalsContact CG-OG 3.31Å; D65-S67 PolarHBondContact O-N 2.87Å; D65-S67 WeakPolarHBondContact OD1-CB 2.98Å; D65-S67 PolarHBondContact OD1-N 2.79Å; D65-S67 PolarHBondContact OD1-OG 2.88Å; D65-S67 PolarHBondContact OD2-OG 2.9Å
68	S	97.1	Very high	97.3	Very high	36 Å²	36	44.8 Å²	44.8	25%	0.252	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-2.3	176.1	66.7	0	0	0	0	113.6	D65 K66 T70	D65-S68 WeakPolarHBondContact CB-OG 3.25Å; D65-S68 VanDerWaalsContact OD2-CB 3.26Å; D65-S68 WeakPolarHBondContact OD2-CB 3.29Å; D65-S68 PolarHBondContact OD2-OG 2.92Å; K66-S68 PolarHBondContact O-N 3.16Å; S68-T70 VanDerWaalsContact C-N 3.25Å; S68-T70 PolarHBondContact O-N 3.33Å; S68-T70 PolarHBondContact O-OG1 3.2Å; S68-T70 VanDerWaalsContact O-OG1 3.07Å; S68-T70 WeakPolarHBondContact OG-CB 3.21Å; S68-T70 PolarHBondContact OG-OG1 2.83Å
69	S	97.3	Very high	97.4	Very high	38 Å²	38	44.1 Å²	44.1	27%	0.266	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	44.8	-173.7	-62.8	0	0	0	0	112.2	A16 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.42Å; A16-S69 PolarHBondContact N-O 2.97Å; D65-S69 WeakPolarHBondContact O-CA 3.05Å; D65-S69 PolarHBondContact O-N 2.88Å; K66-S69 PolarHBondContact O-N 2.98Å
70	T	98.3	Very high	97.4	Very high	8 Å²	8	45.9 Å²	45.9	5%	0.049	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128	-174.3	-55	0	0	0	0	110.9	C14 K15 A64 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.19Å; K15-T70 HydrophobicContact CB-CG2 4.45Å; A64-T70 WeakPolarHBondContact CA-O 3.31Å; D65-T70 PolarHBondContact N-O 3.4Å; D65-T70 PolarHBondContact O-N 2.84Å; S68-T70 VanDerWaalsContact C-N 3.25Å; S68-T70 PolarHBondContact O-N 3.33Å; S68-T70 PolarHBondContact O-OG1 3.2Å; S68-T70 VanDerWaalsContact O-OG1 3.07Å; S68-T70 WeakPolarHBondContact OG-CB 3.21Å; S68-T70 PolarHBondContact OG-OG1 2.83Å; T70-Y72 HydrophobicContact CG2-CD1 4.3Å; T70-Y72 HydrophobicContact CG2-CD2 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.69Å; T70-Y72 HydrophobicContact CG2-CE2 3.73Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.44Å; T70-Y72 WeakPolarHBondContact O-CE2 3.23Å
71	A	98.1	Very high	97.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	147.6	167.6	0	0	0	0	0	110	S13 C14 F21 M26 W28 I43	S13-A71 CarbonylContact C-O 3.6Å; S13-A71 WeakPolarHBondContact CA-O 3.48Å; C14-A71 PolarHBondContact N-O 2.95Å; C14-A71 PolarHBondContact O-N 2.94Å; F21-A71 HydrophobicContact CE2-CB 4.41Å; F21-A71 HydrophobicContact CZ-CB 4.04Å; M26-A71 HydrophobicContact CB-CB 3.89Å; M26-A71 HydrophobicContact CG-CB 3.98Å; W28-A71 HydrophobicContact CZ2-CB 4.35Å; I43-A71 HydrophobicContact CG2-CB 4.44Å
72	Y	98.4	Very high	97.1	Very high	68 Å²	68	50.9 Å²	50.9	27%	0.267	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.9	179.1	-56.3	-89.7	0	0	0	111	T11 L12 L62 T63 D65 T70	T11-Y72 HydrophobicContact CG2-CD1 4.07Å; L12-Y72 CarbonylContact O-C 3.49Å; L12-Y72 VanDerWaalsContact O-CA 3.25Å; L12-Y72 WeakPolarHBondContact O-CA 3.29Å; L62-Y72 WeakPolarHBondContact CA-O 3.37Å; T63-Y72 PolarHBondContact N-O 3.25Å; T63-Y72 PolarHBondContact O-N 2.96Å; D65-Y72 HydrophobicContact CB-CE2 4.05Å; T70-Y72 HydrophobicContact CG2-CD1 4.3Å; T70-Y72 HydrophobicContact CG2-CD2 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.69Å; T70-Y72 HydrophobicContact CG2-CE2 3.73Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.44Å; T70-Y72 WeakPolarHBondContact O-CE2 3.23Å
73	M	98.4	Very high	97	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	112.9	168.5	176.6	176	69.2	0	0	109	T11 L12 W28 I40 A60 I61 L62 L75 Y86	T11-M73 WeakPolarHBondContact CA-O 3.15Å; L12-M73 HydrophobicContact CD1-CE 3.76Å; L12-M73 PolarHBondContact N-O 2.76Å; L12-M73 PolarHBondContact O-N 2.96Å; W28-M73 HydrophobicContact CB-CE 4.46Å; W28-M73 HydrophobicContact CB-SD 3.79Å; W28-M73 HydrophobicContact CD2-CB 3.69Å; W28-M73 HydrophobicContact CD2-CE 4.16Å; W28-M73 HydrophobicContact CD2-CG 4.47Å; W28-M73 HydrophobicContact CD2-SD 4.05Å; W28-M73 HydrophobicContact CE3-CB 4.04Å; W28-M73 HydrophobicContact CE3-CE 3.7Å; W28-M73 HydrophobicContact CE3-SD 4.22Å; W28-M73 HydrophobicContact CG-CB 4.14Å; W28-M73 HydrophobicContact CG-SD 3.89Å; W28-M73 HydrophobicContact CH2-CB 4.18Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.27Å; W28-M73 HydrophobicContact CZ3-CE 4.26Å; I40-M73 HydrophobicContact CB-SD 4.46Å; I40-M73 HydrophobicContact CD1-CE 3.81Å; I40-M73 HydrophobicContact CD1-SD 3.62Å; I40-M73 HydrophobicContact CG2-SD 3.82Å; A60-M73 HydrophobicContact CB-CG 4.28Å; A60-M73 HydrophobicContact CB-SD 4.3Å; I61-M73 CarbonylContact O-C 3.53Å; I61-M73 WeakPolarHBondContact O-CA 3.42Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.57Å; L62-M73 HydrophobicContact CD2-SD 4.04Å; M73-L75 HydrophobicContact CE-CD1 3.95Å; M73-L75 HydrophobicContact CE-CD2 4.16Å; M73-L75 HydrophobicContact CE-CG 4.02Å; M73-L75 HydrophobicContact CG-CD2 4.29Å; M73-L75 HydrophobicContact CG-CG 4.29Å; M73-L75 HydrophobicContact SD-CD2 4.04Å; M73-L75 HydrophobicContact SD-CG 4.39Å; M73-Y86 HydrophobicContact CE-CD1 3.65Å; M73-Y86 HydrophobicContact CE-CE1 4.12Å; M73-Y86 HydrophobicContact CE-CG 4.38Å
74	E	98.3	Very high	96.9	Very high	48 Å²	48	49.3 Å²	49.3	22%	0.224	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	123.9	167.1	-169.2	-167.1	161.2	0	0	108.8	V10 A60 I61 R76	V10-E74 CarbonylContact O-C 3.52Å; V10-E74 VanDerWaalsContact O-CA 3.31Å; V10-E74 WeakPolarHBondContact O-CA 3.31Å; A60-E74 CarbonylContact C-O 3.52Å; A60-E74 VanDerWaalsContact CA-O 3.3Å; A60-E74 WeakPolarHBondContact CA-O 3.47Å; I61-E74 HydrophobicContact CB-CB 4.28Å; I61-E74 PolarHBondContact N-O 2.93Å; I61-E74 PolarHBondContact O-N 3.35Å; E74-R76 VanDerWaalsContact CD-NE 3.3Å; E74-R76 HydrophobicContact CG-CG 4.29Å; E74-R76 WeakPolarHBondContact OE1-CG 3.47Å; E74-R76 IonicContact OE1-CZ 2.9Å; E74-R76 IonicContact OE1-NE 3.91Å; E74-R76 PolarHBondContact OE1-NE 3.21Å; E74-R76 IonicContact OE1-NH2 3.46Å; E74-R76 PolarHBondContact OE1-NH2 2.03Å; E74-R76 IonicContact OE2-CZ 3.6Å; E74-R76 IonicContact OE2-NE 3.57Å; E74-R76 PolarHBondContact OE2-NE 2.87Å; E74-R76 IonicContact OE2-NH2 3.88Å; E74-R76 PolarHBondContact OE2-NH2 2.83Å
75	L	97.8	Very high	96.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	126.3	169.8	-66.5	169.3	0	0	0	108.8	S9 V10 L12 A60 M73 L78 Y86 L112	S9-L75 CarbonylContact C-O 3.5Å; S9-L75 WeakPolarHBondContact CA-O 3.3Å; S9-L75 WeakPolarHBondContact CB-O 3.38Å; V10-L75 HydrophobicContact CG1-CB 4.05Å; V10-L75 HydrophobicContact CG1-CD1 4.35Å; V10-L75 PolarHBondContact N-O 2.84Å; V10-L75 PolarHBondContact O-N 2.9Å; L12-L75 HydrophobicContact CD1-CD1 4.44Å; A60-L75 HydrophobicContact CB-CD2 4Å; M73-L75 HydrophobicContact CE-CD1 3.95Å; M73-L75 HydrophobicContact CE-CD2 4.16Å; M73-L75 HydrophobicContact CE-CG 4.02Å; M73-L75 HydrophobicContact CG-CD2 4.29Å; M73-L75 HydrophobicContact CG-CG 4.29Å; M73-L75 HydrophobicContact SD-CD2 4.04Å; M73-L75 HydrophobicContact SD-CG 4.39Å; L75-L78 HydrophobicContact CB-CD2 3.77Å; L75-L78 HydrophobicContact CD1-CD2 4.34Å; L75-Y86 HydrophobicContact CD1-CD1 4.25Å; L75-Y86 HydrophobicContact CD1-CE1 3.6Å; L75-Y86 HydrophobicContact CD1-CE2 4.22Å; L75-L112 HydrophobicContact CD1-CD2 4.04Å
76	R	97.2	Very high	97	Very high	109 Å²	109	46.9 Å²	46.9	41%	0.411	26%	0.262	S	S	.	.			trans	-107.5	154.1	-177.1	-64.6	-173.2	170.8	174.2	5.3	112.6	K59 I61 E74 L78	K59-R76 PolarHBondContact O-N 3.47Å; I61-R76 VanDerWaalsContact CD1-NH2 3.27Å; E74-R76 VanDerWaalsContact CD-NE 3.3Å; E74-R76 HydrophobicContact CG-CG 4.29Å; E74-R76 WeakPolarHBondContact OE1-CG 3.47Å; E74-R76 IonicContact OE1-CZ 2.9Å; E74-R76 IonicContact OE1-NE 3.91Å; E74-R76 PolarHBondContact OE1-NE 3.21Å; E74-R76 IonicContact OE1-NH2 3.46Å; E74-R76 PolarHBondContact OE1-NH2 2.03Å; E74-R76 IonicContact OE2-CZ 3.6Å; E74-R76 IonicContact OE2-NE 3.57Å; E74-R76 PolarHBondContact OE2-NE 2.87Å; E74-R76 IonicContact OE2-NH2 3.88Å; E74-R76 PolarHBondContact OE2-NH2 2.83Å; R76-L78 VanDerWaalsContact C-N 3.33Å; R76-L78 PolarHBondContact O-N 3.26Å
77	S	96.2	Very high	97	Very high	84 Å²	84	44.3 Å²	44.3	59%	0.587	25%	0.249	S	C	*	.	S	Bend	trans	51.5	52.9	171.9	-56.2	0	0	0	0	111.8	A8	A8-S77 PolarHBondContact O-N 3.2Å
78	L	97	Very high	97.1	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	22%	0.218	C	C	.	.			trans	-61.6	141.4	-173.3	-70.5	171.7	0	0	0	112.3	V4 P6 G7 A8 V10 L75 R76 D82 L112 V114	V4-L78 HydrophobicContact CG2-CD1 3.5Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.27Å; G7-L78 PolarHBondContact N-O 2.86Å; A8-L78 WeakPolarHBondContact O-CB 3.19Å; A8-L78 WeakPolarHBondContact O-CG 3.42Å; A8-L78 PolarHBondContact O-N 2.77Å; V10-L78 HydrophobicContact CB-CD1 4.21Å; V10-L78 HydrophobicContact CG1-CD1 3.79Å; L75-L78 HydrophobicContact CB-CD2 3.77Å; L75-L78 HydrophobicContact CD1-CD2 4.34Å; R76-L78 VanDerWaalsContact C-N 3.33Å; R76-L78 PolarHBondContact O-N 3.26Å; L78-D82 VanDerWaalsContact CA-OD2 3.31Å; L78-D82 WeakPolarHBondContact CA-OD2 3.49Å; L78-D82 HydrophobicContact CD2-CB 3.69Å; L78-L112 HydrophobicContact CD1-CD2 4.14Å; L78-L112 HydrophobicContact CD2-CD2 4.03Å; L78-V114 HydrophobicContact CB-CG1 4.17Å; L78-V114 HydrophobicContact CB-CG2 4.05Å; L78-V114 HydrophobicContact CD1-CG2 4.34Å
79	T	96.3	Very high	97	Very high	56 Å²	56	38.2 Å²	38.2	34%	0.344	21%	0.207	S	C	.	.			trans	-120.9	167.3	173.6	64.2	0	0	0	0	109.7	E81 D82 V114	T79-E81 PolarHBondContact O-N 2.81Å; T79-E81 VanDerWaalsContact O-N 3.12Å; T79-D82 PolarHBondContact N-OD2 3.44Å; T79-D82 WeakPolarHBondContact O-CB 3.24Å; T79-D82 PolarHBondContact O-N 2.89Å; T79-D82 PolarHBondContact OG1-OD2 3.29Å; T79-V114 WeakPolarHBondContact O-CB 2.87Å; T79-V114 WeakPolarHBondContact O-CG2 3.36Å
80	S	95.3	Very high	96.7	Very high	84 Å²	84	38.9 Å²	38.9	59%	0.587	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-54.3	-31.6	176	51.5	0	0	0	0	112.7	D82 S83	S80-D82 PolarHBondContact O-N 3.03Å; S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.43Å; S80-S83 PolarHBondContact O-N 2.87Å; S80-S83 VanDerWaalsContact O-N 3.08Å; S80-S83 PolarHBondContact O-OG 2.96Å
81	E	93.6	Very high	96.2	Very high	154 Å²	154	41.9 Å²	41.9	72%	0.72	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-64.8	-18.6	176.3	-61.2	-179.1	173.9	0	0	113.8	K30 T79 S83	K30-E81 PolarHBondContact NZ-O 3.3Å; T79-E81 PolarHBondContact O-N 2.81Å; T79-E81 VanDerWaalsContact O-N 3.12Å; E81-S83 VanDerWaalsContact C-N 3.26Å
82	D	95.4	Very high	95.4	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.027	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-80.7	-5.9	174.4	-59	-49.9	0	0	0	113.2	K30 K59 L78 T79 S80 A84 Y86 V114	K30-D82 IonicContact NZ-OD1 2.78Å; K59-D82 VanDerWaalsContact CE-OD1 3.31Å; K59-D82 WeakPolarHBondContact CE-OD1 3.48Å; K59-D82 WeakPolarHBondContact CE-OD2 3.4Å; K59-D82 IonicContact NZ-OD1 3.29Å; K59-D82 PolarHBondContact NZ-OD1 2.85Å; K59-D82 IonicContact NZ-OD2 3.44Å; K59-D82 PolarHBondContact NZ-OD2 2.76Å; L78-D82 VanDerWaalsContact CA-OD2 3.31Å; L78-D82 WeakPolarHBondContact CA-OD2 3.49Å; L78-D82 HydrophobicContact CD2-CB 3.69Å; T79-D82 PolarHBondContact N-OD2 3.44Å; T79-D82 WeakPolarHBondContact O-CB 3.24Å; T79-D82 PolarHBondContact O-N 2.89Å; T79-D82 PolarHBondContact OG1-OD2 3.29Å; S80-D82 PolarHBondContact O-N 3.03Å; D82-A84 PolarHBondContact O-N 2.83Å; D82-A84 VanDerWaalsContact O-N 3.09Å; D82-Y86 WeakPolarHBondContact O-CE2 3.44Å; D82-Y86 PolarHBondContact O-OH 3.07Å; D82-V114 HydrophobicContact CB-CG2 4.28Å
83	S	96.9	Very high	94	Very high	40 Å²	40	46.8 Å²	46.8	28%	0.28	24%	0.239	S	C	.	.			trans	-63.5	114.3	174.7	-56.9	0	0	0	0	110.3	S80 E81 L112 V114	S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.43Å; S80-S83 PolarHBondContact O-N 2.87Å; S80-S83 VanDerWaalsContact O-N 3.08Å; S80-S83 PolarHBondContact O-OG 2.96Å; E81-S83 VanDerWaalsContact C-N 3.26Å; S83-L112 CarbonylContact C-O 3.58Å; S83-L112 VanDerWaalsContact CA-O 3.25Å; S83-L112 WeakPolarHBondContact CA-O 3.26Å; S83-V114 PolarHBondContact OG-N 3.2Å
84	A	97.4	Very high	92.2	Very high	7 Å²	7	55.5 Å²	55.5	6%	0.058	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	172.8	-169.8	0	0	0	0	0	111.6	K30 Q31 T32 D82 Y86 L112	K30-A84 HydrophobicContact CD-CB 4.19Å; K30-A84 HydrophobicContact CG-CB 3.52Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.42Å; T32-A84 HydrophobicContact CG2-CB 4.18Å; D82-A84 PolarHBondContact O-N 2.83Å; D82-A84 VanDerWaalsContact O-N 3.09Å; A84-Y86 HydrophobicContact CB-CD2 4.27Å; A84-Y86 HydrophobicContact CB-CE2 3.75Å; A84-L112 PolarHBondContact N-O 2.78Å; A84-L112 PolarHBondContact O-N 3.4Å
85	V	98.1	Very high	90.2	Very high	36 Å²	36	63.7 Å²	63.7	22%	0.218	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.4	162	-171.2	0	0	0	0	108.5	Q31 Y87 T110	Q31-V85 HydrophobicContact CB-CB 4.43Å; Q31-V85 PolarHBondContact N-O 3.18Å; Q31-V85 PolarHBondContact O-N 3.09Å; Q31-V85 VanDerWaalsContact O-N 3.07Å; V85-Y87 HydrophobicContact CB-CE2 3.83Å; V85-Y87 HydrophobicContact CG1-CD2 4.28Å; V85-Y87 HydrophobicContact CG1-CE1 4.05Å; V85-Y87 HydrophobicContact CG1-CE2 3.53Å; V85-Y87 VanDerWaalsContact CG1-CZ 3.41Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.44Å; V85-T110 WeakPolarHBondContact CA-O 3.49Å
86	Y	98	Very high	87.9	Confident	4 Å²	4	67.6 Å²	67.6	2%	0.016	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.8	-179.8	-71.3	-91.1	0	0	0	110.4	L12 V29 K30 I40 M73 L75 D82 A84 G109 T110 L112	L12-Y86 HydrophobicContact CD1-CD1 4.25Å; L12-Y86 HydrophobicContact CD1-CD2 4.11Å; L12-Y86 HydrophobicContact CD1-CG 3.71Å; V29-Y86 WeakPolarHBondContact O-CA 3.37Å; K30-Y86 HydrophobicContact CB-CD1 4.2Å; K30-Y86 HydrophobicContact CB-CE1 3.92Å; K30-Y86 HydrophobicContact CD-CE1 4.21Å; K30-Y86 HydrophobicContact CG-CD1 4.38Å; K30-Y86 HydrophobicContact CG-CE1 3.83Å; I40-Y86 HydrophobicContact CD1-CD1 3.71Å; I40-Y86 HydrophobicContact CD1-CE1 3.7Å; M73-Y86 HydrophobicContact CE-CD1 3.65Å; M73-Y86 HydrophobicContact CE-CE1 4.12Å; M73-Y86 HydrophobicContact CE-CG 4.38Å; L75-Y86 HydrophobicContact CD1-CD1 4.25Å; L75-Y86 HydrophobicContact CD1-CE1 3.6Å; L75-Y86 HydrophobicContact CD1-CE2 4.22Å; D82-Y86 WeakPolarHBondContact O-CE2 3.44Å; D82-Y86 PolarHBondContact O-OH 3.07Å; A84-Y86 HydrophobicContact CB-CD2 4.27Å; A84-Y86 HydrophobicContact CB-CE2 3.75Å; Y86-G109 CarbonylContact O-C 3.52Å; Y86-G109 WeakPolarHBondContact O-CA 3.45Å; Y86-T110 PolarHBondContact N-O 2.78Å; Y86-T110 PolarHBondContact O-N 3.36Å; Y86-L112 HydrophobicContact CD2-CB 3.89Å; Y86-L112 HydrophobicContact CD2-CD2 4.42Å; Y86-L112 HydrophobicContact CE2-CB 3.77Å; Y86-L112 HydrophobicContact CE2-CD2 3.77Å; Y86-L112 HydrophobicContact CE2-CG 4.38Å
87	Y	97.6	Very high	85.6	Confident	44 Å²	44	66.2 Å²	66.2	17%	0.173	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	147.9	-179.4	-59.1	-90.4	0	0	0	110.5	W28 V29 Q31 V85 W106 G107	W28-Y87 WeakPolarHBondContact CA-O 3.41Å; V29-Y87 PolarHBondContact N-O 2.89Å; V29-Y87 PolarHBondContact O-N 3.25Å; Q31-Y87 HydrophobicContact CB-CD2 4.26Å; Q31-Y87 HydrophobicContact CB-CE2 3.67Å; Q31-Y87 HydrophobicContact CG-CE2 4.46Å; Q31-Y87 PolarHBondContact OE1-OH 2.85Å; V85-Y87 HydrophobicContact CB-CE2 3.83Å; V85-Y87 HydrophobicContact CG1-CD2 4.28Å; V85-Y87 HydrophobicContact CG1-CE1 4.05Å; V85-Y87 HydrophobicContact CG1-CE2 3.53Å; V85-Y87 VanDerWaalsContact CG1-CZ 3.41Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.44Å; Y87-W106 HydrophobicContact CD1-CE3 4.23Å; Y87-W106 HydrophobicContact CD2-CZ3 4.35Å; Y87-W106 AromaticContact CG-CE3 3.88Å; Y87-W106 HydrophobicContact CG-CE3 3.88Å; Y87-W106 HydrophobicContact CG-CZ3 4.13Å; Y87-G107 WeakPolarHBondContact CD1-O 2.92Å
88	C	96.4	Very high	83.3	Confident	15 Å²	15	68.4 Å²	68.4	10%	0.101	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	149.1	158.8	60	0	0	0	0	109.8	C14 M26 H27 W28 G107	C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.46Å; C14-C88 WeakPolarHBondContact SG-CB 3.46Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.82Å; M26-C88 HydrophobicContact CE-CB 4.32Å; H27-C88 CarbonylContact O-C 3.56Å; H27-C88 VanDerWaalsContact O-CA 3.22Å; H27-C88 WeakPolarHBondContact O-CA 3.25Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.28Å; W28-C88 HydrophobicContact CH2-CB 4.43Å; W28-C88 HydrophobicContact CZ3-CB 4.26Å; C88-G107 PolarHBondContact O-N 3.29Å
89	T	95.1	Very high	81.1	Confident	2 Å²	2	73.5 Å²	73.5	1%	0.012	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	161.6	173.6	176.9	0	0	0	0	110	H27 V29 F103 Y105 W106	H27-T89 HydrophobicContact CB-CG2 3.73Å; H27-T89 PolarHBondContact N-O 3.29Å; H27-T89 PolarHBondContact O-N 2.79Å; V29-T89 HydrophobicContact CG2-CG2 4.25Å; T89-F103 HydrophobicContact CG2-CB 4.26Å; T89-F103 HydrophobicContact CG2-CD1 3.4Å; T89-F103 HydrophobicContact CG2-CE1 3.83Å; T89-F103 HydrophobicContact CG2-CG 3.83Å; T89-F103 WeakPolarHBondContact OG1-CB 3.19Å; T89-Y105 WeakPolarHBondContact CA-O 3.4Å; T89-Y105 WeakPolarHBondContact CB-O 3.45Å; T89-Y105 PolarHBondContact OG1-O 3.44Å; T89-W106 HydrophobicContact CG2-CD2 4.5Å; T89-W106 HydrophobicContact CG2-CZ2 4.34Å
90	R	91.4	Very high	78.8	Confident	51 Å²	51	73.3 Å²	73.3	19%	0.192	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	151.1	-177.8	71	-180	179.7	-179.7	-2.4	111.9	Y24 E25 M26 Y105	Y24-R90 HydrophobicContact CD1-CB 4.07Å; Y24-R90 HydrophobicContact CD1-CG 3.94Å; Y24-R90 HydrophobicContact CE1-CG 4.38Å; Y24-R90 HydrophobicContact CG-CB 4.36Å; E25-R90 CarbonylContact O-C 3.53Å; E25-R90 VanDerWaalsContact O-CA 3.29Å; E25-R90 WeakPolarHBondContact O-CA 3.22Å; M26-R90 HydrophobicContact SD-CB 3.99Å; R90-Y105 PolarHBondContact N-O 3.05Å
91	K	87.5	Confident	77	Confident	72 Å²	72	71.3 Å²	71.3	31%	0.313	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	131.6	174	-177.4	-169.5	165.8	-153.9	0	110.7	Y24 E25 A101	Y24-K91 CarbonylContact C-O 3.39Å; Y24-K91 WeakPolarHBondContact CA-O 3.38Å; E25-K91 PolarHBondContact N-O 2.78Å; E25-K91 PolarHBondContact O-N 3.39Å; E25-K91 IonicContact OE2-NZ 3.88Å; K91-A101 HydrophobicContact CG-CB 3.76Å
92	L	81.3	Confident	75.5	Confident	55 Å²	55	72.5 Å²	72.5	29%	0.288	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	146.8	-175.5	-171.4	72.1	0	0	0	113.1	Y24 Y94	Y24-L92 HydrophobicContact CD1-CB 4.07Å; Y24-L92 HydrophobicContact CD1-CD1 4.07Å; Y24-L92 HydrophobicContact CD2-CD1 4.44Å; Y24-L92 HydrophobicContact CE1-CB 3.83Å; Y24-L92 HydrophobicContact CE1-CD1 3.5Å; Y24-L92 VanDerWaalsContact CE1-CD1 3.5Å; Y24-L92 HydrophobicContact CE1-CG 4.26Å; Y24-L92 HydrophobicContact CE2-CD1 3.91Å; L92-Y94 HydrophobicContact CD1-CD2 4.2Å; L92-Y94 HydrophobicContact CD2-CD2 4.01Å; L92-Y94 HydrophobicContact CG-CD2 4.1Å
93	Y	68.2	Low	74.2	Confident	116 Å²	116	76.3 Å²	76.3	46%	0.455	41%	0.41	S	S	.	.			trans	-84.8	-7.2	-176.9	-135.3	-94.8	0	0	0	116.6	D23 E25 D44 Y95	D23-Y93 PolarHBondContact O-N 2.62Å; E25-Y93 HydrophobicContact CG-CD2 4.25Å; E25-Y93 HydrophobicContact CG-CE2 4.18Å; D44-Y93 PolarHBondContact OD2-OH 3.16Å; Y93-Y95 PolarHBondContact O-N 3.36Å
94	Y	62.1	Low	73.1	Confident	183 Å²	183	78.9 Å²	78.9	72%	0.718	42%	0.421	S	S	*	.			trans	-67.7	119.4	-162.6	-99.2	-87.3	0	0	0	115.8	L92 G96	L92-Y94 HydrophobicContact CD1-CD2 4.2Å; L92-Y94 HydrophobicContact CD2-CD2 4.01Å; L92-Y94 HydrophobicContact CG-CD2 4.1Å; Y94-G96 PolarHBondContact O-N 2.81Å
95	Y	55.6	Low	72.5	Confident	220 Å²	220	84.6 Å²	84.6	86%	0.863	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	110.8	160.1	-80.8	-98.7	0	0	0	109.5	Y93	Y93-Y95 PolarHBondContact O-N 3.36Å
96	G	49.3	Very low	72.3	Confident	81 Å²	81	86.9 Å²	86.9	84%	0.835	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	127.6	8.7	158.1	0	0	0	0	0	118.8	Y94	Y94-G96 PolarHBondContact O-N 2.81Å
97	S	48.2	Very low	72.1	Confident	81 Å²	81	87.6 Å²	87.6	57%	0.566	46%	0.455	S	S	*	.			trans	-123.1	130.5	162.9	71.9	0	0	0	0	110.6	T99	S97-T99 PolarHBondContact O-N 2.9Å
98	S	48.7	Very low	71.9	Confident	130 Å²	130	93.9 Å²	93.9	91%	0.909	49%	0.486	S	S	*	.	S	Bend	trans	-70.1	37	-173.2	37.6	0	0	0	0	114.1
99	T	50.1	Low	71.9	Confident	108 Å²	108	94.7 Å²	94.7	66%	0.663	50%	0.497	S	S	*	.	S	Bend	trans	-117	105.3	170.9	51.9	0	0	0	0	107.6	S97 A101	S97-T99 PolarHBondContact O-N 2.9Å; T99-A101 PolarHBondContact O-N 3.21Å; T99-A101 VanDerWaalsContact O-N 3.16Å
100	G	49.2	Very low	72	Confident	52 Å²	52	96.7 Å²	96.7	54%	0.536	51%	0.509	S	S	.	.			trans	-47.3	122.9	-178.8	0	0	0	0	0	110.9	Y102	G100-Y102 VanDerWaalsContact C-N 3.32Å; G100-Y102 WeakPolarHBondContact O-CD2 3.36Å; G100-Y102 WeakPolarHBondContact O-CE2 3.45Å; G100-Y102 PolarHBondContact O-N 3.45Å
101	A	56.2	Low	72.3	Confident	42 Å²	42	97.3 Å²	97.3	35%	0.347	52%	0.519	S	S	.	.			trans	-67.2	95.2	175.9	0	0	0	0	0	108	K91 T99	K91-A101 HydrophobicContact CG-CB 3.76Å; T99-A101 PolarHBondContact O-N 3.21Å; T99-A101 VanDerWaalsContact O-N 3.16Å
102	Y	62	Low	72.8	Confident	179 Å²	179	93.9 Å²	93.9	70%	0.702	50%	0.504	S	S	*	.			trans	-78.4	170.5	173	-67	-78.5	0	0	0	109	G100 D104	G100-Y102 VanDerWaalsContact C-N 3.32Å; G100-Y102 WeakPolarHBondContact O-CD2 3.36Å; G100-Y102 WeakPolarHBondContact O-CE2 3.45Å; G100-Y102 PolarHBondContact O-N 3.45Å; Y102-D104 PolarHBondContact O-N 3.49Å; Y102-D104 VanDerWaalsContact O-OD1 3.13Å
103	F	69.6	Low	73.5	Confident	84 Å²	84	94 Å²	94	37%	0.368	51%	0.507	S	S	.	.			trans	-69.8	79.4	168.6	-72.9	-50.6	0	0	0	109.4	H27 T89 Y105 W106	H27-F103 HydrophobicContact CB-CE1 3.8Å; H27-F103 HydrophobicContact CB-CZ 4.38Å; H27-F103 AromaticContact CD2-CE1 3.59Å; H27-F103 AromaticContact CE1-CE1 3.78Å; H27-F103 AromaticContact CG-CE1 3.38Å; H27-F103 AromaticContact ND1-CE1 3.49Å; H27-F103 WeakPolarHBondContact ND1-CE1 3.43Å; H27-F103 AromaticContact ND1-CZ 3.75Å; H27-F103 AromaticContact NE2-CE1 3.82Å; T89-F103 HydrophobicContact CG2-CB 4.26Å; T89-F103 HydrophobicContact CG2-CD1 3.4Å; T89-F103 HydrophobicContact CG2-CE1 3.83Å; T89-F103 HydrophobicContact CG2-CG 3.83Å; T89-F103 WeakPolarHBondContact OG1-CB 3.19Å; F103-Y105 VanDerWaalsContact C-N 3.25Å; F103-Y105 PolarHBondContact O-N 3.24Å; F103-W106 HydrophobicContact CB-CZ2 4.27Å; F103-W106 HydrophobicContact CD2-CZ2 4.31Å; F103-W106 HydrophobicContact CG-CZ2 4.45Å; F103-W106 PolarHBondContact O-NE1 3Å
104	D	72.4	Confident	74.9	Confident	95 Å²	95	88.8 Å²	88.8	51%	0.508	49%	0.487	S	S	.	.			trans	-68.3	-22.8	-165.2	-62.2	-29	0	0	0	113.4	Y102	Y102-D104 PolarHBondContact O-N 3.49Å; Y102-D104 VanDerWaalsContact O-OD1 3.13Å
105	Y	85.9	Confident	76.4	Confident	126 Å²	126	85.5 Å²	85.5	49%	0.494	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	134	179.8	-172.7	-93.5	0	0	0	112.2	T89 R90 F103	T89-Y105 WeakPolarHBondContact CA-O 3.4Å; T89-Y105 WeakPolarHBondContact CB-O 3.45Å; T89-Y105 PolarHBondContact OG1-O 3.44Å; R90-Y105 PolarHBondContact N-O 3.05Å; F103-Y105 VanDerWaalsContact C-N 3.25Å; F103-Y105 PolarHBondContact O-N 3.24Å
106	W	93	Very high	77.4	Confident	85 Å²	85	78.8 Å²	78.8	32%	0.322	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.3	177.2	-69.2	64.6	0	0	0	110.2	V29 L37 Y87 T89 F103	V29-W106 HydrophobicContact CB-CH2 4.05Å; V29-W106 HydrophobicContact CB-CZ3 3.84Å; V29-W106 HydrophobicContact CG1-CH2 3.95Å; V29-W106 HydrophobicContact CG1-CZ3 3.96Å; V29-W106 HydrophobicContact CG2-CH2 3.78Å; V29-W106 HydrophobicContact CG2-CZ3 3.96Å; L37-W106 HydrophobicContact CD1-CH2 3.98Å; L37-W106 HydrophobicContact CD1-CZ3 4.48Å; L37-W106 HydrophobicContact CD2-CH2 4.33Å; L37-W106 HydrophobicContact CD2-CZ3 4.15Å; Y87-W106 HydrophobicContact CD1-CE3 4.23Å; Y87-W106 HydrophobicContact CD2-CZ3 4.35Å; Y87-W106 AromaticContact CG-CE3 3.88Å; Y87-W106 HydrophobicContact CG-CE3 3.88Å; Y87-W106 HydrophobicContact CG-CZ3 4.13Å; T89-W106 HydrophobicContact CG2-CD2 4.5Å; T89-W106 HydrophobicContact CG2-CZ2 4.34Å; F103-W106 HydrophobicContact CB-CZ2 4.27Å; F103-W106 HydrophobicContact CD2-CZ2 4.31Å; F103-W106 HydrophobicContact CG-CZ2 4.45Å; F103-W106 PolarHBondContact O-NE1 3Å
107	G	93.9	Very high	78.9	Confident	19 Å²	19	78.7 Å²	78.7	20%	0.196	45%	0.453	C	S	.	.			trans	-63.6	164.9	165.9	0	0	0	0	0	111.4	Y87 C88 G109	Y87-G107 WeakPolarHBondContact CD1-O 2.92Å; C88-G107 PolarHBondContact O-N 3.29Å; G107-G109 PolarHBondContact O-N 3.07Å
108	Q	94.8	Very high	80.6	Confident	176 Å²	176	78.6 Å²	78.6	82%	0.822	45%	0.447	S	S	*	.			trans	-63.6	-13.4	179.8	-66	-63.2	-31.8	0	0	114.1
109	G	95.9	Very high	82.4	Confident	32 Å²	32	75.5 Å²	75.5	33%	0.33	42%	0.42	S	S	.	.			trans	81.2	154.6	-174.5	0	0	0	0	0	112.6	Y86 G107	Y86-G109 CarbonylContact O-C 3.52Å; Y86-G109 WeakPolarHBondContact O-CA 3.45Å; G107-G109 PolarHBondContact O-N 3.07Å
110	T	96.9	Very high	84.5	Confident	44 Å²	44	73.5 Å²	73.5	27%	0.27	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	129.3	171.2	-171.7	0	0	0	0	110	L12 V85 Y86	L12-T110 HydrophobicContact CD1-CG2 3.92Å; L12-T110 HydrophobicContact CD2-CG2 3.92Å; L12-T110 HydrophobicContact CG-CG2 4.42Å; V85-T110 WeakPolarHBondContact CA-O 3.49Å; Y86-T110 PolarHBondContact N-O 2.78Å; Y86-T110 PolarHBondContact O-N 3.36Å
111	T	97.6	Very high	86.8	Confident	63 Å²	63	74.9 Å²	74.9	39%	0.387	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	124.9	174.7	-49.3	0	0	0	0	109.8	A1 E2	A1-T111 CarbonylContact C-O 3.57Å; A1-T111 WeakPolarHBondContact CA-O 3.44Å; E2-T111 PolarHBondContact N-O 2.62Å
112	L	96.9	Very high	89	Confident	1 Å²	1	77.3 Å²	77.3	1%	0.005	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	130.1	168	178.4	66.8	0	0	0	108.1	E2 V4 V10 L75 L78 S83 A84 Y86 V114	E2-L112 HydrophobicContact CB-CD1 4.08Å; V4-L112 HydrophobicContact CG1-CD1 4.22Å; V4-L112 HydrophobicContact CG2-CD1 3.85Å; V10-L112 HydrophobicContact CG1-CD1 4.14Å; V10-L112 HydrophobicContact CG1-CD2 3.84Å; V10-L112 HydrophobicContact CG2-CD1 4.48Å; L75-L112 HydrophobicContact CD1-CD2 4.04Å; L78-L112 HydrophobicContact CD1-CD2 4.14Å; L78-L112 HydrophobicContact CD2-CD2 4.03Å; S83-L112 CarbonylContact C-O 3.58Å; S83-L112 VanDerWaalsContact CA-O 3.25Å; S83-L112 WeakPolarHBondContact CA-O 3.26Å; A84-L112 PolarHBondContact N-O 2.78Å; A84-L112 PolarHBondContact O-N 3.4Å; Y86-L112 HydrophobicContact CD2-CB 3.89Å; Y86-L112 HydrophobicContact CD2-CD2 4.42Å; Y86-L112 HydrophobicContact CE2-CB 3.77Å; Y86-L112 HydrophobicContact CE2-CD2 3.77Å; Y86-L112 HydrophobicContact CE2-CG 4.38Å; L112-V114 HydrophobicContact CG-CG2 4.43Å
113	T	97.1	Very high	91.1	Very high	58 Å²	58	69.5 Å²	69.5	36%	0.356	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.5	176.4	-57.3	0	0	0	0	109.2	E2 L3 V4	E2-T113 PolarHBondContact O-N 2.76Å; L3-T113 WeakPolarHBondContact CA-O 3.48Å; L3-T113 HydrophobicContact CD1-CG2 3.64Å; V4-T113 PolarHBondContact N-O 2.88Å
114	V	96.6	Very high	92.9	Very high	6 Å²	6	68.3 Å²	68.3	4%	0.036	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	109.9	179.1	-169.7	0	0	0	0	109.2	V4 P6 L78 T79 D82 S83 L112	V4-V114 HydrophobicContact CG2-CB 4.43Å; V4-V114 HydrophobicContact CG2-CG1 4.43Å; V4-V114 HydrophobicContact CG2-CG2 3.85Å; V4-V114 WeakPolarHBondContact O-CA 3.43Å; P6-V114 HydrophobicContact CB-CG1 4.41Å; P6-V114 HydrophobicContact CG-CG1 4.14Å; L78-V114 HydrophobicContact CB-CG1 4.17Å; L78-V114 HydrophobicContact CB-CG2 4.05Å; L78-V114 HydrophobicContact CD1-CG2 4.34Å; T79-V114 WeakPolarHBondContact O-CB 2.87Å; T79-V114 WeakPolarHBondContact O-CG2 3.36Å; D82-V114 HydrophobicContact CB-CG2 4.28Å; S83-V114 PolarHBondContact OG-N 3.2Å; L112-V114 HydrophobicContact CG-CG2 4.43Å
115	S	93.3	Very high	94.7	Very high	114 Å²	114	65.8 Å²	65.8	80%	0.797	37%	0.365	S	S	*	.			trans	-146.7	0	-177.9	70.6	0	0	0	0	113.2	L3 V4	L3-S115 WeakPolarHBondContact CD1-OG 3.38Å; V4-S115 PolarHBondContact O-N 2.66Å; V4-S115 VanDerWaalsContact O-N 3.13Å

Retrieved 115 of 115 residues in 33.2 ms (Link to these results)

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