X5J4P2_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4P2, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 110 aa.

						>X5J4P2_MOUSE|X5J4P2
AELVRPGSSVKMSCKTSGYTFTSYGINWVKQRPGQGLEWIGYIYIGNGYTEYNEKFKGKATLTSDTSSSTAYMQLSSLTSEDSAIYFCARSTMVPAWFAYWGQGTLVTVS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	A	81.9	Confident	94.5	Very high	109 Å²	109	80.2 Å²	80.2	90%	0.901	46%	0.461	S	S	*	.				0	138.3	0	0	0	0	0	0	107.9	L106	A1-L106 CarbonylContact C-O 3.58Å; A1-L106 WeakPolarHBondContact CA-O 3.32Å; A1-L106 HydrophobicContact CB-CB 4.01Å; A1-L106 HydrophobicContact CB-CD2 4.49Å
2	E	90.1	Very high	94.7	Very high	77 Å²	77	74.1 Å²	74.1	36%	0.36	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	128.4	-174.9	-159.5	173.1	158.7	0	0	110	V4 V10 L106 V107 T108	E2-V4 HydrophobicContact CG-CG1 3.82Å; E2-V10 HydrophobicContact CG-CG2 4.44Å; E2-V10 VanDerWaalsContact OE1-CG2 3.28Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.4Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.5Å; E2-L106 PolarHBondContact N-O 3.23Å; E2-V107 CarbonylContact O-C 3.43Å; E2-V107 WeakPolarHBondContact O-CA 3.38Å; E2-T108 PolarHBondContact O-N 2.96Å
3	L	95.3	Very high	94.8	Very high	125 Å²	125	74.6 Å²	74.6	65%	0.654	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	120	175.7	-177.5	66.1	0	0	0	108.3	T108 S110	L3-T108 WeakPolarHBondContact CA-O 3.32Å; L3-T108 HydrophobicContact CD1-CG2 3.8Å; L3-S110 WeakPolarHBondContact CD1-OG 3.37Å
4	V	95.8	Very high	94.9	Very high	14 Å²	14	70.1 Å²	70.1	9%	0.085	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	156.3	-173.4	-60.1	0	0	0	0	110.9	E2 L78 V107 T108 V109 S110	E2-V4 HydrophobicContact CG-CG1 3.82Å; V4-L78 HydrophobicContact CB-CD1 4.37Å; V4-L78 HydrophobicContact CG2-CD1 3.47Å; V4-L78 VanDerWaalsContact CG2-CD1 3.47Å; V4-V107 HydrophobicContact CG2-CG1 4.01Å; V4-T108 PolarHBondContact N-O 3.24Å; V4-V109 HydrophobicContact CG2-CB 4.4Å; V4-V109 HydrophobicContact CG2-CG1 4.49Å; V4-V109 HydrophobicContact CG2-CG2 3.83Å; V4-V109 WeakPolarHBondContact O-CA 3.45Å; V4-S110 PolarHBondContact O-N 2.61Å
5	R	96.2	Very high	94.8	Very high	202 Å²	202	76.5 Å²	76.5	76%	0.762	43%	0.432	S	S	*	.			trans	-85.6	151.3	-178.9	-65.7	-178.6	-178.2	176.4	0.8	110.5	G7 S8	R5-G7 PolarHBondContact O-N 3.01Å; R5-S8 WeakPolarHBondContact O-CB 3.47Å; R5-S8 PolarHBondContact O-N 3.29Å; R5-S8 PolarHBondContact O-OG 3.07Å
6	P	96.9	Very high	94.4	Very high	82 Å²	82	72.8 Å²	72.8	53%	0.532	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	139.5	168.7	-25.2	34	0	0	0	111.8	S8 V109	P6-S8 VanDerWaalsContact C-N 3.27Å; P6-S8 PolarHBondContact O-N 2.92Å; P6-V109 HydrophobicContact CB-CG1 4.4Å; P6-V109 HydrophobicContact CG-CG1 4.15Å
7	G	95.7	Very high	93.9	Very high	55 Å²	55	74.8 Å²	74.8	57%	0.567	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-12.7	-178.6	0	0	0	0	0	115.3	R5 L78	R5-G7 PolarHBondContact O-N 3.01Å; G7-L78 PolarHBondContact N-O 3.24Å
8	S	96.6	Very high	93.4	Very high	41 Å²	41	75.4 Å²	75.4	29%	0.287	46%	0.457	S	S	.	.			trans	-77	173.4	176.7	73	0	0	0	0	112.4	R5 P6 S77 L78	R5-S8 WeakPolarHBondContact O-CB 3.47Å; R5-S8 PolarHBondContact O-N 3.29Å; R5-S8 PolarHBondContact O-OG 3.07Å; P6-S8 VanDerWaalsContact C-N 3.27Å; P6-S8 PolarHBondContact O-N 2.92Å; S8-S77 PolarHBondContact O-N 2.81Å; S8-L78 WeakPolarHBondContact O-CB 3.09Å; S8-L78 VanDerWaalsContact O-CG 3.31Å; S8-L78 WeakPolarHBondContact O-CG 3.38Å; S8-L78 PolarHBondContact O-N 2.89Å
9	S	96.9	Very high	92.9	Very high	57 Å²	57	74.2 Å²	74.2	40%	0.399	44%	0.443	S	S	.	.			trans	-111.2	151.6	171.3	-57.7	0	0	0	0	110.7	L75 S76	S9-L75 CarbonylContact C-O 3.47Å; S9-L75 WeakPolarHBondContact CA-O 3.44Å; S9-L75 VanDerWaalsContact CB-O 3.24Å; S9-L75 WeakPolarHBondContact CB-O 3.25Å; S9-S76 WeakPolarHBondContact OG-CA 3.44Å; S9-S76 PolarHBondContact OG-OG 2.95Å
10	V	96.9	Very high	92.6	Very high	2 Å²	2	75 Å²	75	1%	0.012	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.7	173	63.4	0	0	0	0	109.8	E2 M12 Q74 L75 L78 V107	E2-V10 HydrophobicContact CG-CG2 4.44Å; E2-V10 VanDerWaalsContact OE1-CG2 3.28Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.4Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.5Å; V10-M12 HydrophobicContact CG1-CE 4.16Å; V10-M12 HydrophobicContact CG2-CG 4.31Å; V10-Q74 CarbonylContact O-C 3.58Å; V10-Q74 VanDerWaalsContact O-CA 3.25Å; V10-Q74 WeakPolarHBondContact O-CA 3.43Å; V10-L75 HydrophobicContact CG1-CB 3.95Å; V10-L75 HydrophobicContact CG1-CD1 4.4Å; V10-L75 PolarHBondContact N-O 2.88Å; V10-L75 PolarHBondContact O-N 2.94Å; V10-L78 HydrophobicContact CB-CD1 4Å; V10-L78 HydrophobicContact CG1-CD1 3.7Å; V10-L78 HydrophobicContact CG1-CD2 4.34Å; V10-V107 HydrophobicContact CG1-CG1 4.47Å
11	K	97.2	Very high	92.4	Very high	118 Å²	118	71.8 Å²	71.8	51%	0.513	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	111.7	174.5	-175	177.5	179.5	178.9	0	110	Y72	K11-Y72 HydrophobicContact CD-CD1 4.45Å; K11-Y72 VanDerWaalsContact CE-CD1 3.45Å; K11-Y72 HydrophobicContact CG-CD1 4.39Å
12	M	96.5	Very high	92.8	Very high	7 Å²	7	69.3 Å²	69.3	3%	0.034	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	146.2	176.8	-67.3	170.8	-84.2	0	0	110.6	V10 W28 Y72 M73 L75 Y86 T105 V107	V10-M12 HydrophobicContact CG1-CE 4.16Å; V10-M12 HydrophobicContact CG2-CG 4.31Å; M12-W28 HydrophobicContact CB-CH2 4.09Å; M12-W28 HydrophobicContact CB-CZ3 3.91Å; M12-Y72 WeakPolarHBondContact O-CA 3.37Å; M12-M73 HydrophobicContact CE-CE 3.16Å; M12-M73 PolarHBondContact N-O 3.09Å; M12-M73 PolarHBondContact O-N 3.22Å; M12-M73 HydrophobicContact SD-CE 4.26Å; M12-L75 HydrophobicContact CE-CD1 3.65Å; M12-L75 HydrophobicContact CE-CG 4.11Å; M12-Y86 HydrophobicContact CE-CD1 4.11Å; M12-Y86 HydrophobicContact CE-CD2 4.33Å; M12-Y86 HydrophobicContact CE-CG 3.93Å; M12-Y86 WeakPolarHBondContact SD-CB 3.22Å; M12-Y86 HydrophobicContact SD-CD1 4.49Å; M12-Y86 HydrophobicContact SD-CD2 4.09Å; M12-Y86 HydrophobicContact SD-CG 3.77Å; M12-T105 HydrophobicContact CG-CG2 3.88Å; M12-T105 HydrophobicContact SD-CG2 3.48Å; M12-T105 WeakPolarHBondContact SD-CG2 3.09Å; M12-V107 HydrophobicContact SD-CG2 3.99Å
13	S	96.7	Very high	92.7	Very high	81 Å²	81	68.2 Å²	68.2	57%	0.566	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116	146	177	63.5	0	0	0	0	111.2	A71	S13-A71 CarbonylContact C-O 3.48Å; S13-A71 WeakPolarHBondContact CA-O 3.4Å
14	C	95.5	Very high	92.4	Very high	12 Å²	12	65.1 Å²	65.1	8%	0.081	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	91.7	173	-176.1	0	0	0	0	107.3	I26 W28 T70 A71 C88	C14-I26 HydrophobicContact CB-CG2 4.49Å; C14-W28 HydrophobicContact CB-CH2 3.83Å; C14-W28 HydrophobicContact CB-CZ2 3.88Å; C14-T70 WeakPolarHBondContact O-CA 3.45Å; C14-A71 HydrophobicContact CB-CB 4.39Å; C14-A71 PolarHBondContact N-O 2.8Å; C14-A71 PolarHBondContact O-N 2.83Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.4Å; C14-C88 WeakPolarHBondContact SG-CB 3.15Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.78Å
15	K	94.1	Very high	92.1	Very high	166 Å²	166	64.5 Å²	64.5	72%	0.722	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	136	177.1	-172.6	174.6	-172.3	179.7	0	109.5	T70	K15-T70 HydrophobicContact CB-CG2 4.39Å
16	T	87.9	Confident	92	Very high	17 Å²	17	54.9 Å²	54.9	10%	0.104	34%	0.344	C	S	.	.			trans	-128.2	154.6	-175.4	71.9	0	0	0	0	110.5	Y19 F21 I26 S69	T16-Y19 WeakPolarHBondContact CB-OH 3.31Å; T16-Y19 WeakPolarHBondContact CG2-OH 3.38Å; T16-Y19 PolarHBondContact OG1-OH 3.4Å; T16-F21 HydrophobicContact CG2-CD2 4.38Å; T16-F21 HydrophobicContact CG2-CE2 4.08Å; T16-F21 WeakPolarHBondContact OG1-CD2 3.11Å; T16-F21 WeakPolarHBondContact OG1-CE2 3.38Å; T16-I26 HydrophobicContact CG2-CD1 4.28Å; T16-S69 PolarHBondContact N-O 2.77Å; T16-S69 PolarHBondContact OG1-O 3.23Å
17	S	86.6	Confident	92	Very high	106 Å²	106	51.5 Å²	51.5	74%	0.741	32%	0.321	S	S	*	.			trans	-152.2	160.6	-178	60.2	0	0	0	0	110.9	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.28Å
18	G	84.8	Confident	92	Very high	87 Å²	87	49.1 Å²	49.1	90%	0.897	30%	0.295	S	S	*	.	S	Bend	trans	83.2	15.5	174.9	0	0	0	0	0	115.5
19	Y	82.9	Confident	92.1	Very high	51 Å²	51	47.3 Å²	47.3	20%	0.2	28%	0.283	C	S	.	.	S	Bend	trans	-160.9	167.5	175.9	63.2	-86.5	0	0	0	112	T16 S17 F21 Y24 R90	T16-Y19 WeakPolarHBondContact CB-OH 3.31Å; T16-Y19 WeakPolarHBondContact CG2-OH 3.38Å; T16-Y19 PolarHBondContact OG1-OH 3.4Å; S17-Y19 WeakPolarHBondContact O-CD1 3.28Å; Y19-F21 HydrophobicContact CE2-CD2 4.21Å; Y19-F21 PolarHBondContact O-N 2.88Å; Y19-Y24 AromaticContact CD2-CD2 3.3Å; Y19-Y24 HydrophobicContact CD2-CD2 3.3Å; Y19-Y24 AromaticContact CD2-CE2 3.49Å; Y19-Y24 HydrophobicContact CD2-CE2 3.49Å; Y19-Y24 VanDerWaalsContact CD2-CE2 3.49Å; Y19-Y24 HydrophobicContact CD2-CG 4.15Å; Y19-Y24 AromaticContact CE2-CD2 3.56Å; Y19-Y24 HydrophobicContact CE2-CD2 3.56Å; Y19-Y24 HydrophobicContact CE2-CE2 4.19Å; Y19-Y24 HydrophobicContact CE2-CG 4.01Å; Y19-Y24 HydrophobicContact CG-CD2 4.36Å; Y19-Y24 HydrophobicContact CG-CE2 4.18Å; Y19-R90 VanDerWaalsContact OH-CD 3.24Å; Y19-R90 WeakPolarHBondContact OH-CD 3.44Å
20	T	87.6	Confident	92.1	Very high	90 Å²	90	44.7 Å²	44.7	55%	0.552	26%	0.264	S	S	*	.			trans	-70	96.7	172.7	-52.6	0	0	0	0	110.2	T22 S23 Y24	T20-T22 WeakPolarHBondContact CG2-OG1 3.35Å; T20-T22 PolarHBondContact O-N 2.82Å; T20-T22 VanDerWaalsContact O-N 3.1Å; T20-S23 WeakPolarHBondContact CG2-OG 3.42Å; T20-S23 PolarHBondContact O-N 2.9Å; T20-Y24 WeakPolarHBondContact O-CD2 3.21Å
21	F	87.6	Confident	92.1	Very high	8 Å²	8	47.8 Å²	47.8	4%	0.035	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-52.1	-36.8	-173.3	-178.9	-124.1	0	0	0	114	T16 Y19 S23 Y24 I26 I45 S69 A71	T16-F21 HydrophobicContact CG2-CD2 4.38Å; T16-F21 HydrophobicContact CG2-CE2 4.08Å; T16-F21 WeakPolarHBondContact OG1-CD2 3.11Å; T16-F21 WeakPolarHBondContact OG1-CE2 3.38Å; Y19-F21 HydrophobicContact CE2-CD2 4.21Å; Y19-F21 PolarHBondContact O-N 2.88Å; F21-S23 VanDerWaalsContact C-N 3.28Å; F21-S23 PolarHBondContact O-N 3.11Å; F21-Y24 PolarHBondContact O-N 3.25Å; F21-I26 HydrophobicContact CE2-CD1 4.34Å; F21-I26 HydrophobicContact CE2-CG1 4.12Å; F21-I45 HydrophobicContact CD1-CG2 3.58Å; F21-I45 HydrophobicContact CD2-CG1 4.45Å; F21-I45 HydrophobicContact CE1-CB 4.48Å; F21-I45 HydrophobicContact CE1-CD1 4.02Å; F21-I45 HydrophobicContact CE1-CG1 4.12Å; F21-I45 HydrophobicContact CE1-CG2 3.54Å; F21-I45 HydrophobicContact CE2-CD1 4.16Å; F21-I45 HydrophobicContact CE2-CG1 4.02Å; F21-I45 HydrophobicContact CG-CG2 4.24Å; F21-I45 HydrophobicContact CZ-CD1 3.6Å; F21-I45 HydrophobicContact CZ-CG1 3.84Å; F21-I45 HydrophobicContact CZ-CG2 4.15Å; F21-S69 VanDerWaalsContact CD1-CA 3.48Å; F21-A71 HydrophobicContact CZ-CB 4.08Å
22	T	90.1	Very high	92	Very high	58 Å²	58	44.9 Å²	44.9	36%	0.356	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-70.8	-16	-178.6	52.7	0	0	0	0	114.8	T20 Y24 I45 G46 T66	T20-T22 WeakPolarHBondContact CG2-OG1 3.35Å; T20-T22 PolarHBondContact O-N 2.82Å; T20-T22 VanDerWaalsContact O-N 3.1Å; T22-Y24 VanDerWaalsContact C-N 3.3Å; T22-Y24 PolarHBondContact O-N 3.49Å; T22-I45 HydrophobicContact CG2-CG2 4.12Å; T22-G46 WeakPolarHBondContact O-CA 3.33Å; T22-G46 PolarHBondContact O-N 3.47Å; T22-G46 VanDerWaalsContact O-N 3.08Å; T22-T66 HydrophobicContact CG2-CG2 3.75Å
23	S	88.8	Confident	91.7	Very high	54 Å²	54	50.2 Å²	50.2	38%	0.378	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-85.7	-0.2	-179.3	-54.5	0	0	0	0	113.8	T20 F21	T20-S23 WeakPolarHBondContact CG2-OG 3.42Å; T20-S23 PolarHBondContact O-N 2.9Å; F21-S23 VanDerWaalsContact C-N 3.28Å; F21-S23 PolarHBondContact O-N 3.11Å
24	Y	88.3	Confident	91.4	Very high	59 Å²	59	50.8 Å²	50.8	23%	0.231	32%	0.318	C	S	.	.	S	Bend	trans	-127.4	166.4	-174.1	-63.9	-92.3	0	0	0	110.4	Y19 T20 F21 T22 I45 R90 S91 T92	Y19-Y24 AromaticContact CD2-CD2 3.3Å; Y19-Y24 HydrophobicContact CD2-CD2 3.3Å; Y19-Y24 AromaticContact CD2-CE2 3.49Å; Y19-Y24 HydrophobicContact CD2-CE2 3.49Å; Y19-Y24 VanDerWaalsContact CD2-CE2 3.49Å; Y19-Y24 HydrophobicContact CD2-CG 4.15Å; Y19-Y24 AromaticContact CE2-CD2 3.56Å; Y19-Y24 HydrophobicContact CE2-CD2 3.56Å; Y19-Y24 HydrophobicContact CE2-CE2 4.19Å; Y19-Y24 HydrophobicContact CE2-CG 4.01Å; Y19-Y24 HydrophobicContact CG-CD2 4.36Å; Y19-Y24 HydrophobicContact CG-CE2 4.18Å; T20-Y24 WeakPolarHBondContact O-CD2 3.21Å; F21-Y24 PolarHBondContact O-N 3.25Å; T22-Y24 VanDerWaalsContact C-N 3.3Å; T22-Y24 PolarHBondContact O-N 3.49Å; Y24-I45 WeakPolarHBondContact O-CB 3.4Å; Y24-I45 VanDerWaalsContact O-CG1 3.29Å; Y24-I45 WeakPolarHBondContact O-CG1 3.47Å; Y24-I45 PolarHBondContact O-N 2.91Å; Y24-I45 VanDerWaalsContact O-N 3.14Å; Y24-R90 HydrophobicContact CD1-CG 4.02Å; Y24-R90 HydrophobicContact CG-CG 4.15Å; Y24-S91 WeakPolarHBondContact CD1-O 3.35Å; Y24-T92 HydrophobicContact CD1-CG2 4.31Å; Y24-T92 HydrophobicContact CE1-CG2 3.79Å
25	G	91.3	Very high	91.3	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	158.7	164.4	0	0	0	0	0	112.4	I43 S91	G25-I43 CarbonylContact C-O 3.56Å; G25-I43 WeakPolarHBondContact CA-O 3.46Å; G25-S91 PolarHBondContact O-N 3.37Å
26	I	94.3	Very high	91.3	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.8	-177.1	-56.1	-60.6	0	0	0	108.2	C14 T16 F21 Y42 I43 I45 A71 C88 R90	C14-I26 HydrophobicContact CB-CG2 4.49Å; T16-I26 HydrophobicContact CG2-CD1 4.28Å; F21-I26 HydrophobicContact CE2-CD1 4.34Å; F21-I26 HydrophobicContact CE2-CG1 4.12Å; I26-Y42 WeakPolarHBondContact O-CA 3.23Å; I26-I43 HydrophobicContact CB-CG2 4.12Å; I26-I43 PolarHBondContact N-O 2.85Å; I26-I43 PolarHBondContact O-N 3.31Å; I26-I45 HydrophobicContact CG1-CD1 4.14Å; I26-I45 HydrophobicContact CG1-CG1 4.33Å; I26-A71 HydrophobicContact CB-CB 3.99Å; I26-A71 HydrophobicContact CG1-CB 3.85Å; I26-A71 HydrophobicContact CG2-CB 3.97Å; I26-C88 HydrophobicContact CG2-CB 3.97Å; I26-R90 HydrophobicContact CD1-CB 4.16Å; I26-R90 HydrophobicContact CD1-CG 4.23Å
27	N	95.3	Very high	91.6	Very high	10 Å²	10	53.3 Å²	53.3	5%	0.053	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	146.4	176.4	-64.5	-92.7	0	0	0	109.3	W39 G41 Y42 C88 A89 S91 F98	N27-W39 PolarHBondContact OD1-NE1 3.06Å; N27-W39 VanDerWaalsContact OD1-NE1 3.09Å; N27-G41 CarbonylContact C-O 3.53Å; N27-G41 WeakPolarHBondContact CA-O 3.04Å; N27-Y42 WeakPolarHBondContact OD1-CD2 3.19Å; N27-C88 CarbonylContact O-C 3.48Å; N27-C88 WeakPolarHBondContact O-CA 2.99Å; N27-A89 HydrophobicContact CB-CB 4.39Å; N27-A89 WeakPolarHBondContact CB-O 3.46Å; N27-A89 PolarHBondContact N-O 3.36Å; N27-A89 PolarHBondContact ND2-O 2.88Å; N27-A89 PolarHBondContact O-N 2.9Å; N27-S91 WeakPolarHBondContact ND2-CB 3.45Å; N27-S91 PolarHBondContact ND2-OG 2.8Å; N27-S91 VanDerWaalsContact ND2-OG 3.13Å; N27-F98 HydrophobicContact CB-CD1 4.11Å; N27-F98 HydrophobicContact CB-CE1 3.61Å
28	W	97.3	Very high	92.1	Very high	5 Å²	5	49.9 Å²	49.9	2%	0.019	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134.2	174.6	-68.1	90.4	0	0	0	109.7	M12 C14 I40 G41 L62 A71 M73 F87 C88	M12-W28 HydrophobicContact CB-CH2 4.09Å; M12-W28 HydrophobicContact CB-CZ3 3.91Å; C14-W28 HydrophobicContact CB-CH2 3.83Å; C14-W28 HydrophobicContact CB-CZ2 3.88Å; W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 3.48Å; W28-I40 PolarHBondContact O-N 2.63Å; W28-G41 PolarHBondContact N-O 3.1Å; W28-L62 VanDerWaalsContact CD1-CD2 3.46Å; W28-L62 HydrophobicContact CG-CD2 4.03Å; W28-A71 HydrophobicContact CZ2-CB 4.46Å; W28-M73 HydrophobicContact CB-CE 4.27Å; W28-M73 HydrophobicContact CB-SD 3.56Å; W28-M73 VanDerWaalsContact CB-SD 3.56Å; W28-M73 HydrophobicContact CD2-CB 3.48Å; W28-M73 VanDerWaalsContact CD2-CB 3.48Å; W28-M73 HydrophobicContact CD2-CE 4.17Å; W28-M73 HydrophobicContact CD2-CG 4.31Å; W28-M73 HydrophobicContact CD2-SD 3.93Å; W28-M73 HydrophobicContact CE3-CB 3.73Å; W28-M73 HydrophobicContact CE3-CE 3.66Å; W28-M73 HydrophobicContact CE3-SD 4.05Å; W28-M73 HydrophobicContact CG-CB 3.98Å; W28-M73 HydrophobicContact CG-CE 4.45Å; W28-M73 HydrophobicContact CG-CG 4.43Å; W28-M73 HydrophobicContact CG-SD 3.74Å; W28-M73 HydrophobicContact CH2-CB 4Å; W28-M73 HydrophobicContact CZ2-CB 3.79Å; W28-M73 HydrophobicContact CZ3-CB 3.98Å; W28-M73 HydrophobicContact CZ3-CE 4.32Å; W28-F87 WeakPolarHBondContact CA-O 3.33Å; W28-C88 HydrophobicContact CD2-CB 4.36Å; W28-C88 HydrophobicContact CE3-CB 4.16Å; W28-C88 HydrophobicContact CH2-CB 4.27Å; W28-C88 HydrophobicContact CZ2-CB 4.43Å; W28-C88 HydrophobicContact CZ3-CB 4.13Å
29	V	97.1	Very high	92.6	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.024	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	135.2	-171.7	-176.6	0	0	0	0	109.4	L37 E38 Y86 F87 W101	V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.31Å; V29-E38 CarbonylContact C-O 3.57Å; V29-E38 WeakPolarHBondContact CA-O 3.48Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.47Å; V29-F87 HydrophobicContact CB-CB 4.48Å; V29-F87 PolarHBondContact N-O 3.33Å; V29-F87 PolarHBondContact O-N 3.18Å; V29-W101 HydrophobicContact CB-CH2 4.16Å; V29-W101 HydrophobicContact CB-CZ3 3.92Å; V29-W101 HydrophobicContact CG1-CH2 4.16Å; V29-W101 HydrophobicContact CG1-CZ3 4.14Å; V29-W101 HydrophobicContact CG2-CH2 3.79Å; V29-W101 HydrophobicContact CG2-CZ3 3.92Å
30	K	97	Very high	93.3	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.009	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	139.7	175.4	-178.3	179.5	-178.8	177.5	0	109.6	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.34Å; K30-E38 PolarHBondContact N-O 3.26Å; K30-E38 PolarHBondContact O-N 3.45Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.15Å; K30-F56 HydrophobicContact CB-CZ 4.49Å; K30-F56 HydrophobicContact CD-CE1 4.07Å; K30-F56 HydrophobicContact CD-CZ 3.95Å; K30-E81 PolarHBondContact NZ-O 2.81Å; K30-D82 IonicContact NZ-OD1 3.63Å; K30-D82 PolarHBondContact NZ-OD1 3.48Å; K30-A84 HydrophobicContact CD-CB 4.21Å; K30-A84 HydrophobicContact CG-CB 3.54Å; K30-Y86 HydrophobicContact CB-CD1 4.15Å; K30-Y86 HydrophobicContact CB-CE1 3.88Å; K30-Y86 HydrophobicContact CD-CE1 3.98Å; K30-Y86 WeakPolarHBondContact CE-OH 3.49Å; K30-Y86 HydrophobicContact CG-CD1 4.34Å; K30-Y86 HydrophobicContact CG-CE1 3.75Å
31	Q	97.2	Very high	93.7	Very high	67 Å²	67	42.5 Å²	42.5	31%	0.313	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	115.4	170	-168	-178.7	30.4	0	0	110.1	L37 A84 I85 F87	Q31-L37 HydrophobicContact CB-CD2 3.92Å; Q31-L37 HydrophobicContact CG-CD2 4.02Å; Q31-A84 WeakPolarHBondContact O-CA 3.23Å; Q31-A84 VanDerWaalsContact O-CB 3.32Å; Q31-A84 WeakPolarHBondContact O-CB 3.44Å; Q31-I85 PolarHBondContact N-O 2.58Å; Q31-I85 PolarHBondContact O-N 2.81Å; Q31-F87 HydrophobicContact CB-CD2 4.42Å; Q31-F87 HydrophobicContact CB-CE2 3.79Å
32	R	94.9	Very high	94	Very high	56 Å²	56	44.1 Å²	44.1	21%	0.211	26%	0.261	C	S	.	.			trans	-84.1	150.4	169.2	-61.5	-164.9	-170.6	95.2	-4.1	110.2	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.92Å; R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4Å; R32-Q35 PolarHBondContact O-N 3.05Å; R32-E38 IonicContact CZ-OE1 3.4Å; R32-E38 IonicContact NH1-OE1 3.25Å; R32-E38 PolarHBondContact NH1-OE1 2.88Å; R32-E81 PolarHBondContact NE-O 2.96Å; R32-E81 PolarHBondContact NH2-O 2.79Å; R32-A84 HydrophobicContact CG-CB 4.23Å
33	P	90.3	Very high	94.3	Very high	120 Å²	120	41.5 Å²	41.5	78%	0.779	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	126.9	172.2	-25.3	34.6	0	0	0	111.2	Q35	P33-Q35 PolarHBondContact O-N 3.06Å
34	G	91.5	Very high	94.5	Very high	93 Å²	93	41.2 Å²	41.2	96%	0.959	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.2	4.8	-179.7	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 2.92Å
35	Q	93.1	Very high	94.8	Very high	94 Å²	94	38.9 Å²	38.9	44%	0.439	23%	0.227	S	C	.	.	S	Bend	trans	-113	161.1	176.1	-58.7	-173.1	-0.2	0	0	111.6	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4Å; R32-Q35 PolarHBondContact O-N 3.05Å; P33-Q35 PolarHBondContact O-N 3.06Å
36	G	93.1	Very high	94.8	Very high	56 Å²	56	40.9 Å²	40.9	58%	0.577	25%	0.248	S	C	*	.			trans	-67.7	174.7	173.1	0	0	0	0	0	113.1
37	L	95.1	Very high	94.7	Very high	98 Å²	98	46.4 Å²	46.4	51%	0.513	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	126.2	173.1	-64.4	176.2	0	0	0	110.1	V29 Q31 W101	V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.31Å; Q31-L37 HydrophobicContact CB-CD2 3.92Å; Q31-L37 HydrophobicContact CG-CD2 4.02Å; L37-W101 HydrophobicContact CD1-CH2 3.92Å; L37-W101 HydrophobicContact CD1-CZ2 4.49Å; L37-W101 HydrophobicContact CD1-CZ3 4.49Å
38	E	96.1	Very high	94.5	Very high	34 Å²	34	47.8 Å²	47.8	16%	0.159	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	112.1	173.1	-65.9	-166.9	-104.9	0	0	109.3	V29 K30 R32 I40 K55	V29-E38 CarbonylContact C-O 3.57Å; V29-E38 WeakPolarHBondContact CA-O 3.48Å; K30-E38 HydrophobicContact CB-CB 4.34Å; K30-E38 PolarHBondContact N-O 3.26Å; K30-E38 PolarHBondContact O-N 3.45Å; R32-E38 IonicContact CZ-OE1 3.4Å; R32-E38 IonicContact NH1-OE1 3.25Å; R32-E38 PolarHBondContact NH1-OE1 2.88Å; E38-I40 PolarHBondContact O-N 3.16Å; E38-K55 IonicContact OE2-NZ 2.77Å; E38-K55 PolarHBondContact OE2-NZ 2.85Å
39	W	96.1	Very high	94.4	Very high	72 Å²	72	53.5 Å²	53.5	27%	0.273	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	129	174.6	-179.7	83.6	0	0	0	110.5	N27 G41 E51 N53	N27-W39 PolarHBondContact OD1-NE1 3.06Å; N27-W39 VanDerWaalsContact OD1-NE1 3.09Å; W39-G41 VanDerWaalsContact CZ2-C 3.45Å; W39-G41 VanDerWaalsContact CZ2-CA 3.47Å; W39-G41 PolarHBondContact NE1-O 3.12Å; W39-E51 HydrophobicContact CH2-CB 4.15Å; W39-E51 HydrophobicContact CH2-CG 3.97Å; W39-N53 HydrophobicContact CE3-CB 3.79Å; W39-N53 HydrophobicContact CZ3-CB 3.97Å; W39-N53 VanDerWaalsContact CZ3-N 3.34Å; W39-N53 WeakPolarHBondContact O-CB 3.2Å; W39-N53 PolarHBondContact O-ND2 3.23Å
40	I	97.4	Very high	94.4	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-47.1	-177.4	-60.4	172.4	0	0	0	110.2	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 3.48Å; W28-I40 PolarHBondContact O-N 2.63Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.15Å; E38-I40 PolarHBondContact O-N 3.16Å; I40-N53 PolarHBondContact O-N 2.81Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.23Å; I40-F56 HydrophobicContact CG1-CD1 4.16Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.01Å; I40-F56 HydrophobicContact CG1-CE2 4.1Å; I40-F56 HydrophobicContact CG1-CG 4.27Å; I40-F56 HydrophobicContact CG1-CZ 3.97Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 3.95Å; I40-F56 HydrophobicContact CG2-CD2 4.26Å; I40-F56 HydrophobicContact CG2-CG 3.73Å; I40-A60 HydrophobicContact CG2-CB 3.77Å; I40-M73 HydrophobicContact CB-SD 4.4Å; I40-M73 HydrophobicContact CD1-CE 3.62Å; I40-M73 HydrophobicContact CD1-SD 3.66Å; I40-M73 HydrophobicContact CG2-SD 3.79Å; I40-Y86 HydrophobicContact CD1-CD1 3.74Å; I40-Y86 HydrophobicContact CD1-CE1 3.85Å
41	G	96.2	Very high	94.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.2	177.7	-174.4	0	0	0	0	0	112.9	N27 W28 W39 E51	N27-G41 CarbonylContact C-O 3.53Å; N27-G41 WeakPolarHBondContact CA-O 3.04Å; W28-G41 PolarHBondContact N-O 3.1Å; W39-G41 VanDerWaalsContact CZ2-C 3.45Å; W39-G41 VanDerWaalsContact CZ2-CA 3.47Å; W39-G41 PolarHBondContact NE1-O 3.12Å; G41-E51 CarbonylContact C-O 3.36Å; G41-E51 WeakPolarHBondContact CA-O 3.05Å
42	Y	94.5	Very high	94.3	Very high	42 Å²	42	59.6 Å²	59.6	17%	0.165	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	143.1	-174.4	167.1	-105.2	0	0	0	110.1	I26 N27 Y44 Y49 T50 E51 S91	I26-Y42 WeakPolarHBondContact O-CA 3.23Å; N27-Y42 WeakPolarHBondContact OD1-CD2 3.19Å; Y42-Y44 WeakPolarHBondContact OH-CB 3.47Å; Y42-Y44 WeakPolarHBondContact OH-CD2 3.48Å; Y42-Y49 HydrophobicContact CE1-CD1 4.39Å; Y42-T50 CarbonylContact O-C 3.46Å; Y42-T50 VanDerWaalsContact O-CA 3.24Å; Y42-T50 WeakPolarHBondContact O-CA 3.42Å; Y42-E51 PolarHBondContact N-O 2.81Å; Y42-E51 PolarHBondContact O-N 2.84Å; Y42-S91 WeakPolarHBondContact CE2-OG 3.29Å
43	I	95.1	Very high	94.3	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.021	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	122.4	167.9	-176.3	169.5	0	0	0	109.6	G25 I26 I45 Y49 T50 L62	G25-I43 CarbonylContact C-O 3.56Å; G25-I43 WeakPolarHBondContact CA-O 3.46Å; I26-I43 HydrophobicContact CB-CG2 4.12Å; I26-I43 PolarHBondContact N-O 2.85Å; I26-I43 PolarHBondContact O-N 3.31Å; I43-I45 HydrophobicContact CG1-CD1 4.39Å; I43-I45 HydrophobicContact CG2-CD1 4.03Å; I43-Y49 CarbonylContact C-O 3.53Å; I43-Y49 WeakPolarHBondContact CA-O 3.46Å; I43-T50 HydrophobicContact CB-CG2 3.96Å; I43-T50 HydrophobicContact CD1-CG2 4.05Å; I43-T50 HydrophobicContact CG1-CG2 3.82Å; I43-L62 HydrophobicContact CB-CB 4.15Å; I43-L62 HydrophobicContact CB-CD1 4.39Å; I43-L62 HydrophobicContact CD1-CB 4.45Å; I43-L62 HydrophobicContact CG2-CB 4.44Å
44	Y	93.9	Very high	94.6	Very high	48 Å²	48	59.7 Å²	59.7	19%	0.188	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	116.8	167	-176.4	-122.6	0	0	0	109.4	Y42 G46 N47 G48 Y49 M93	Y42-Y44 WeakPolarHBondContact OH-CB 3.47Å; Y42-Y44 WeakPolarHBondContact OH-CD2 3.48Å; Y44-G46 VanDerWaalsContact C-N 3.3Å; Y44-G46 PolarHBondContact O-N 2.79Å; Y44-N47 WeakPolarHBondContact CD1-OD1 3.36Å; Y44-G48 VanDerWaalsContact O-CA 3.28Å; Y44-G48 WeakPolarHBondContact O-CA 3.4Å; Y44-G48 PolarHBondContact O-N 3.38Å; Y44-Y49 PolarHBondContact N-O 2.86Å; Y44-M93 HydrophobicContact CE2-CG 4.37Å; Y44-M93 HydrophobicContact CE2-SD 4.06Å
45	I	93.2	Very high	94.7	Very high	9 Å²	9	62.4 Å²	62.4	5%	0.046	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-31.5	-170.6	-53.5	-59.4	0	0	0	111.6	F21 T22 Y24 I26 I43 N47 T66 A71	F21-I45 HydrophobicContact CD1-CG2 3.58Å; F21-I45 HydrophobicContact CD2-CG1 4.45Å; F21-I45 HydrophobicContact CE1-CB 4.48Å; F21-I45 HydrophobicContact CE1-CD1 4.02Å; F21-I45 HydrophobicContact CE1-CG1 4.12Å; F21-I45 HydrophobicContact CE1-CG2 3.54Å; F21-I45 HydrophobicContact CE2-CD1 4.16Å; F21-I45 HydrophobicContact CE2-CG1 4.02Å; F21-I45 HydrophobicContact CG-CG2 4.24Å; F21-I45 HydrophobicContact CZ-CD1 3.6Å; F21-I45 HydrophobicContact CZ-CG1 3.84Å; F21-I45 HydrophobicContact CZ-CG2 4.15Å; T22-I45 HydrophobicContact CG2-CG2 4.12Å; Y24-I45 WeakPolarHBondContact O-CB 3.4Å; Y24-I45 VanDerWaalsContact O-CG1 3.29Å; Y24-I45 WeakPolarHBondContact O-CG1 3.47Å; Y24-I45 PolarHBondContact O-N 2.91Å; Y24-I45 VanDerWaalsContact O-N 3.14Å; I26-I45 HydrophobicContact CG1-CD1 4.14Å; I26-I45 HydrophobicContact CG1-CG1 4.33Å; I43-I45 HydrophobicContact CG1-CD1 4.39Å; I43-I45 HydrophobicContact CG2-CD1 4.03Å; I45-N47 VanDerWaalsContact C-N 3.27Å; I45-N47 PolarHBondContact O-N 2.86Å; I45-T66 HydrophobicContact CG2-CG2 3.95Å; I45-A71 HydrophobicContact CD1-CB 4.36Å
46	G	91.3	Very high	94.8	Very high	44 Å²	44	58.3 Å²	58.3	45%	0.454	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-29.3	-173.7	0	0	0	0	0	114.9	T22 Y44	T22-G46 WeakPolarHBondContact O-CA 3.33Å; T22-G46 PolarHBondContact O-N 3.47Å; T22-G46 VanDerWaalsContact O-N 3.08Å; Y44-G46 VanDerWaalsContact C-N 3.3Å; Y44-G46 PolarHBondContact O-N 2.79Å
47	N	92.3	Very high	94.9	Very high	116 Å²	116	61.6 Å²	61.6	62%	0.62	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.8	3.6	178.3	68.4	9.2	0	0	0	114.1	Y44 I45 Y49	Y44-N47 WeakPolarHBondContact CD1-OD1 3.36Å; I45-N47 VanDerWaalsContact C-N 3.27Å; I45-N47 PolarHBondContact O-N 2.86Å; N47-Y49 VanDerWaalsContact C-N 3.25Å; N47-Y49 PolarHBondContact O-N 2.79Å; N47-Y49 WeakPolarHBondContact OD1-CB 3.31Å; N47-Y49 PolarHBondContact OD1-N 2.91Å
48	G	92.9	Very high	94.8	Very high	39 Å²	39	60.9 Å²	60.9	40%	0.402	32%	0.321	S	S	.	.			trans	72.8	11.9	-178.8	0	0	0	0	0	114.8	Y44 T50	Y44-G48 VanDerWaalsContact O-CA 3.28Å; Y44-G48 WeakPolarHBondContact O-CA 3.4Å; Y44-G48 PolarHBondContact O-N 3.38Å; G48-T50 PolarHBondContact O-N 3.06Å
49	Y	94.3	Very high	94.8	Very high	126 Å²	126	61.5 Å²	61.5	49%	0.494	32%	0.323	S	S	.	.			trans	-58.3	130.6	174.9	174.6	-98.1	0	0	0	110.2	Y42 I43 Y44 N47 E51	Y42-Y49 HydrophobicContact CE1-CD1 4.39Å; I43-Y49 CarbonylContact C-O 3.53Å; I43-Y49 WeakPolarHBondContact CA-O 3.46Å; Y44-Y49 PolarHBondContact N-O 2.86Å; N47-Y49 VanDerWaalsContact C-N 3.25Å; N47-Y49 PolarHBondContact O-N 2.79Å; N47-Y49 WeakPolarHBondContact OD1-CB 3.31Å; N47-Y49 PolarHBondContact OD1-N 2.91Å; Y49-E51 HydrophobicContact CE1-CB 4.18Å
50	T	96.1	Very high	94.9	Very high	48 Å²	48	58.3 Å²	58.3	29%	0.294	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	141.6	179.2	51.1	0	0	0	0	111.3	Y42 I43 G48 Y52 L62	Y42-T50 CarbonylContact O-C 3.46Å; Y42-T50 VanDerWaalsContact O-CA 3.24Å; Y42-T50 WeakPolarHBondContact O-CA 3.42Å; I43-T50 HydrophobicContact CB-CG2 3.96Å; I43-T50 HydrophobicContact CD1-CG2 4.05Å; I43-T50 HydrophobicContact CG1-CG2 3.82Å; G48-T50 PolarHBondContact O-N 3.06Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.48Å; T50-L62 HydrophobicContact CG2-CB 4.04Å
51	E	95.4	Very high	95	Very high	97 Å²	97	61.4 Å²	61.4	45%	0.453	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.5	172.6	-163.2	-177.3	167.7	0	0	108.4	W39 G41 Y42 Y49	W39-E51 HydrophobicContact CH2-CB 4.15Å; W39-E51 HydrophobicContact CH2-CG 3.97Å; G41-E51 CarbonylContact C-O 3.36Å; G41-E51 WeakPolarHBondContact CA-O 3.05Å; Y42-E51 PolarHBondContact N-O 2.81Å; Y42-E51 PolarHBondContact O-N 2.84Å; Y49-E51 HydrophobicContact CE1-CB 4.18Å
52	Y	97.1	Very high	95	Very high	56 Å²	56	61.9 Å²	61.9	22%	0.22	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	146.6	-176.1	-64.5	-92.2	0	0	0	110.1	T50 A60 L62	T50-Y52 WeakPolarHBondContact OG1-CE2 3.48Å; Y52-A60 HydrophobicContact CD1-CB 4.44Å; Y52-A60 HydrophobicContact CE1-CB 4.28Å; Y52-A60 VanDerWaalsContact CE1-O 3.29Å; Y52-A60 WeakPolarHBondContact CE1-O 3.32Å; Y52-L62 HydrophobicContact CE1-CD1 4.11Å; Y52-L62 HydrophobicContact CE1-CG 3.72Å; Y52-L62 PolarHBondContact OH-N 3.19Å; Y52-L62 VanDerWaalsContact OH-N 3.14Å
53	N	96.2	Very high	95.2	Very high	46 Å²	46	62.7 Å²	62.7	25%	0.246	34%	0.343	C	S	.	.			trans	-69	134.6	158.4	-177.7	-32.8	0	0	0	108.7	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.79Å; W39-N53 HydrophobicContact CZ3-CB 3.97Å; W39-N53 VanDerWaalsContact CZ3-N 3.34Å; W39-N53 WeakPolarHBondContact O-CB 3.2Å; W39-N53 PolarHBondContact O-ND2 3.23Å; I40-N53 PolarHBondContact O-N 2.81Å; N53-K55 PolarHBondContact O-N 3.09Å; N53-K55 PolarHBondContact OD1-N 3.13Å; N53-F56 HydrophobicContact CB-CD2 4.01Å; N53-F56 PolarHBondContact O-N 3.3Å; N53-K57 PolarHBondContact O-N 2.77Å; N53-K57 VanDerWaalsContact O-N 3.16Å
54	E	95.7	Very high	95.2	Very high	132 Å²	132	64.4 Å²	64.4	62%	0.617	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-31.3	-178.2	-69.3	-61.8	142.8	0	0	113	F56 K57	E54-F56 PolarHBondContact O-N 2.81Å; E54-K57 PolarHBondContact O-N 2.91Å; E54-K57 IonicContact OE1-NZ 2.81Å; E54-K57 PolarHBondContact OE1-NZ 3.44Å; E54-K57 VanDerWaalsContact OE2-CD 3.23Å; E54-K57 WeakPolarHBondContact OE2-CD 3.42Å; E54-K57 IonicContact OE2-NZ 3.23Å; E54-K57 PolarHBondContact OE2-NZ 2.83Å
55	K	93.9	Very high	95.3	Very high	149 Å²	149	64.6 Å²	64.6	65%	0.648	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-27.2	175.4	-68	-174.5	-177.1	-179.8	0	114.4	E38 N53	E38-K55 IonicContact OE2-NZ 2.77Å; E38-K55 PolarHBondContact OE2-NZ 2.85Å; N53-K55 PolarHBondContact O-N 3.09Å; N53-K55 PolarHBondContact OD1-N 3.13Å
56	F	95.8	Very high	95.3	Very high	9 Å²	9	68 Å²	68	4%	0.039	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-5.1	-174.2	-64.1	-86.1	0	0	0	112.7	K30 I40 N53 E54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.49Å; K30-F56 HydrophobicContact CD-CE1 4.07Å; K30-F56 HydrophobicContact CD-CZ 3.95Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.23Å; I40-F56 HydrophobicContact CG1-CD1 4.16Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.01Å; I40-F56 HydrophobicContact CG1-CE2 4.1Å; I40-F56 HydrophobicContact CG1-CG 4.27Å; I40-F56 HydrophobicContact CG1-CZ 3.97Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 3.95Å; I40-F56 HydrophobicContact CG2-CD2 4.26Å; I40-F56 HydrophobicContact CG2-CG 3.73Å; N53-F56 HydrophobicContact CB-CD2 4.01Å; N53-F56 PolarHBondContact O-N 3.3Å; E54-F56 PolarHBondContact O-N 2.81Å; F56-G58 PolarHBondContact O-N 2.86Å; F56-K59 PolarHBondContact O-N 3.02Å; F56-A60 HydrophobicContact CB-CB 4.26Å; F56-A60 PolarHBondContact O-N 3.36Å
57	K	94.5	Very high	95.4	Very high	124 Å²	124	71 Å²	71	54%	0.539	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	126.2	175	-162.1	175	-169.6	172.7	0	109.6	N53 E54 K59	N53-K57 PolarHBondContact O-N 2.77Å; N53-K57 VanDerWaalsContact O-N 3.16Å; E54-K57 PolarHBondContact O-N 2.91Å; E54-K57 IonicContact OE1-NZ 2.81Å; E54-K57 PolarHBondContact OE1-NZ 3.44Å; E54-K57 VanDerWaalsContact OE2-CD 3.23Å; E54-K57 WeakPolarHBondContact OE2-CD 3.42Å; E54-K57 IonicContact OE2-NZ 3.23Å; E54-K57 PolarHBondContact OE2-NZ 2.83Å; K57-K59 PolarHBondContact O-N 3.37Å
58	G	93.9	Very high	95.5	Very high	83 Å²	83	67.2 Å²	67.2	86%	0.856	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	-13.4	-174.4	0	0	0	0	0	115.2	F56	F56-G58 PolarHBondContact O-N 2.86Å
59	K	95.9	Very high	95.5	Very high	48 Å²	48	67.1 Å²	67.1	21%	0.209	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-40.2	174	-170.5	165.9	-170.3	168.3	0	112.6	F56 K57 L75 S76 D82	F56-K59 PolarHBondContact O-N 3.02Å; K57-K59 PolarHBondContact O-N 3.37Å; K59-L75 WeakPolarHBondContact O-CA 3.44Å; K59-S76 WeakPolarHBondContact CE-O 3Å; K59-S76 WeakPolarHBondContact CG-O 3.24Å; K59-S76 PolarHBondContact O-N 2.84Å; K59-D82 WeakPolarHBondContact CE-OD2 3.35Å; K59-D82 IonicContact NZ-OD1 2.96Å; K59-D82 PolarHBondContact NZ-OD1 3.18Å; K59-D82 IonicContact NZ-OD2 2.58Å; K59-D82 PolarHBondContact NZ-OD2 3.02Å
60	A	97.8	Very high	95.6	Very high	4 Å²	4	61.4 Å²	61.4	3%	0.033	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	139.5	178	0	0	0	0	0	111.2	I40 Y52 F56 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.77Å; Y52-A60 HydrophobicContact CD1-CB 4.44Å; Y52-A60 HydrophobicContact CE1-CB 4.28Å; Y52-A60 VanDerWaalsContact CE1-O 3.29Å; Y52-A60 WeakPolarHBondContact CE1-O 3.32Å; F56-A60 HydrophobicContact CB-CB 4.26Å; F56-A60 PolarHBondContact O-N 3.36Å; A60-Q74 CarbonylContact C-O 3.6Å; A60-Q74 WeakPolarHBondContact CA-O 3.24Å; A60-L75 HydrophobicContact CB-CD2 3.81Å
61	T	98.2	Very high	95.7	Very high	66 Å²	66	59.1 Å²	59.1	41%	0.405	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.5	170	-57.8	0	0	0	0	108.8	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.29Å; T61-M73 WeakPolarHBondContact O-CA 3.06Å; T61-Q74 PolarHBondContact N-O 2.92Å; T61-Q74 PolarHBondContact O-N 2.88Å
62	L	98.1	Very high	95.8	Very high	9 Å²	9	56.9 Å²	56.9	5%	0.047	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	131.9	178.5	-52.6	-174.7	0	0	0	110.5	W28 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.46Å; W28-L62 HydrophobicContact CG-CD2 4.03Å; I43-L62 HydrophobicContact CB-CB 4.15Å; I43-L62 HydrophobicContact CB-CD1 4.39Å; I43-L62 HydrophobicContact CD1-CB 4.45Å; I43-L62 HydrophobicContact CG2-CB 4.44Å; T50-L62 HydrophobicContact CG2-CB 4.04Å; Y52-L62 HydrophobicContact CE1-CD1 4.11Å; Y52-L62 HydrophobicContact CE1-CG 3.72Å; Y52-L62 PolarHBondContact OH-N 3.19Å; Y52-L62 VanDerWaalsContact OH-N 3.14Å; L62-Y72 WeakPolarHBondContact CA-O 3.43Å; L62-M73 HydrophobicContact CD2-CB 3.72Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.04Å
63	T	97.4	Very high	95.8	Very high	59 Å²	59	54.2 Å²	54.2	36%	0.362	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	168.2	177.9	54.6	0	0	0	0	110.7	T61 A71 Y72	T61-T63 HydrophobicContact CG2-CG2 4.29Å; T63-A71 CarbonylContact O-C 3.6Å; T63-Y72 PolarHBondContact N-O 2.99Å; T63-Y72 PolarHBondContact O-N 2.98Å
64	S	96.4	Very high	95.9	Very high	40 Å²	40	55.7 Å²	55.7	28%	0.28	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	146.8	176.8	58.6	0	0	0	0	111.7	T70	S64-T70 WeakPolarHBondContact CA-O 3.21Å
65	D	95.4	Very high	96	Very high	53 Å²	53	49.4 Å²	49.4	28%	0.283	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	109.5	168.9	174.4	8.7	0	0	0	108.7	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.41Å; D65-S67 PolarHBondContact OD1-N 3.45Å; D65-S67 PolarHBondContact OD1-OG 2.8Å; D65-S67 PolarHBondContact OD2-OG 3.37Å; D65-S68 WeakPolarHBondContact CB-OG 2.97Å; D65-S68 PolarHBondContact OD1-N 3.38Å; D65-S68 WeakPolarHBondContact OD2-CB 3Å; D65-S68 PolarHBondContact OD2-OG 3.32Å; D65-S69 PolarHBondContact O-N 2.97Å; D65-S69 VanDerWaalsContact O-N 3.07Å; D65-T70 PolarHBondContact N-O 2.75Å; D65-T70 PolarHBondContact O-N 2.03Å; D65-Y72 HydrophobicContact CB-CE2 3.91Å
66	T	93.1	Very high	96.2	Very high	81 Å²	81	43.8 Å²	43.8	50%	0.497	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-26.9	-178.2	53.2	0	0	0	0	112.3	T22 I45 S68 S69	T22-T66 HydrophobicContact CG2-CG2 3.75Å; I45-T66 HydrophobicContact CG2-CG2 3.95Å; T66-S68 VanDerWaalsContact C-N 3.33Å; T66-S68 PolarHBondContact O-N 2.91Å; T66-S69 PolarHBondContact O-N 3.33Å
67	S	92.4	Very high	96.2	Very high	106 Å²	106	47.4 Å²	47.4	74%	0.741	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-35.7	178.7	74.6	0	0	0	0	111.8	D65	D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.41Å; D65-S67 PolarHBondContact OD1-N 3.45Å; D65-S67 PolarHBondContact OD1-OG 2.8Å; D65-S67 PolarHBondContact OD2-OG 3.37Å
68	S	94.3	Very high	96.3	Very high	37 Å²	37	41.6 Å²	41.6	26%	0.259	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	3.3	178.1	66.3	0	0	0	0	114	D65 T66 T70	D65-S68 WeakPolarHBondContact CB-OG 2.97Å; D65-S68 PolarHBondContact OD1-N 3.38Å; D65-S68 WeakPolarHBondContact OD2-CB 3Å; D65-S68 PolarHBondContact OD2-OG 3.32Å; T66-S68 VanDerWaalsContact C-N 3.33Å; T66-S68 PolarHBondContact O-N 2.91Å; S68-T70 PolarHBondContact O-N 2.89Å; S68-T70 PolarHBondContact O-OG1 2.95Å; S68-T70 PolarHBondContact OG-OG1 3Å
69	S	94.6	Very high	96.4	Very high	37 Å²	37	40.3 Å²	40.3	26%	0.259	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	41.8	-175.9	-62.2	0	0	0	0	113.4	T16 F21 D65 T66	T16-S69 PolarHBondContact N-O 2.77Å; T16-S69 PolarHBondContact OG1-O 3.23Å; F21-S69 VanDerWaalsContact CD1-CA 3.48Å; D65-S69 PolarHBondContact O-N 2.97Å; D65-S69 VanDerWaalsContact O-N 3.07Å; T66-S69 PolarHBondContact O-N 3.33Å
70	T	96.5	Very high	96.3	Very high	6 Å²	6	42.2 Å²	42.2	4%	0.037	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.1	-172.5	-56.8	0	0	0	0	111.1	C14 K15 S64 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.45Å; K15-T70 HydrophobicContact CB-CG2 4.39Å; S64-T70 WeakPolarHBondContact CA-O 3.21Å; D65-T70 PolarHBondContact N-O 2.75Å; D65-T70 PolarHBondContact O-N 2.03Å; S68-T70 PolarHBondContact O-N 2.89Å; S68-T70 PolarHBondContact O-OG1 2.95Å; S68-T70 PolarHBondContact OG-OG1 3Å; T70-Y72 HydrophobicContact CG2-CD1 4.23Å; T70-Y72 HydrophobicContact CG2-CD2 4.38Å; T70-Y72 HydrophobicContact CG2-CE1 3.61Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.28Å
71	A	96.8	Very high	96.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	151.4	167.9	0	0	0	0	0	110	S13 C14 F21 I26 W28 I45 T63	S13-A71 CarbonylContact C-O 3.48Å; S13-A71 WeakPolarHBondContact CA-O 3.4Å; C14-A71 HydrophobicContact CB-CB 4.39Å; C14-A71 PolarHBondContact N-O 2.8Å; C14-A71 PolarHBondContact O-N 2.83Å; F21-A71 HydrophobicContact CZ-CB 4.08Å; I26-A71 HydrophobicContact CB-CB 3.99Å; I26-A71 HydrophobicContact CG1-CB 3.85Å; I26-A71 HydrophobicContact CG2-CB 3.97Å; W28-A71 HydrophobicContact CZ2-CB 4.46Å; I45-A71 HydrophobicContact CD1-CB 4.36Å; T63-A71 CarbonylContact O-C 3.6Å
72	Y	97.9	Very high	96	Very high	50 Å²	50	45.3 Å²	45.3	20%	0.196	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145.7	179.5	-55.8	-88.7	0	0	0	111.3	K11 M12 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.45Å; K11-Y72 VanDerWaalsContact CE-CD1 3.45Å; K11-Y72 HydrophobicContact CG-CD1 4.39Å; M12-Y72 WeakPolarHBondContact O-CA 3.37Å; L62-Y72 WeakPolarHBondContact CA-O 3.43Å; T63-Y72 PolarHBondContact N-O 2.99Å; T63-Y72 PolarHBondContact O-N 2.98Å; D65-Y72 HydrophobicContact CB-CE2 3.91Å; T70-Y72 HydrophobicContact CG2-CD1 4.23Å; T70-Y72 HydrophobicContact CG2-CD2 4.38Å; T70-Y72 HydrophobicContact CG2-CE1 3.61Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.28Å
73	M	98.1	Very high	96	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.3	165.7	176.3	172.5	75.7	0	0	108.7	M12 W28 I40 T61 L62 L75 Y86	M12-M73 HydrophobicContact CE-CE 3.16Å; M12-M73 PolarHBondContact N-O 3.09Å; M12-M73 PolarHBondContact O-N 3.22Å; M12-M73 HydrophobicContact SD-CE 4.26Å; W28-M73 HydrophobicContact CB-CE 4.27Å; W28-M73 HydrophobicContact CB-SD 3.56Å; W28-M73 VanDerWaalsContact CB-SD 3.56Å; W28-M73 HydrophobicContact CD2-CB 3.48Å; W28-M73 VanDerWaalsContact CD2-CB 3.48Å; W28-M73 HydrophobicContact CD2-CE 4.17Å; W28-M73 HydrophobicContact CD2-CG 4.31Å; W28-M73 HydrophobicContact CD2-SD 3.93Å; W28-M73 HydrophobicContact CE3-CB 3.73Å; W28-M73 HydrophobicContact CE3-CE 3.66Å; W28-M73 HydrophobicContact CE3-SD 4.05Å; W28-M73 HydrophobicContact CG-CB 3.98Å; W28-M73 HydrophobicContact CG-CE 4.45Å; W28-M73 HydrophobicContact CG-CG 4.43Å; W28-M73 HydrophobicContact CG-SD 3.74Å; W28-M73 HydrophobicContact CH2-CB 4Å; W28-M73 HydrophobicContact CZ2-CB 3.79Å; W28-M73 HydrophobicContact CZ3-CB 3.98Å; W28-M73 HydrophobicContact CZ3-CE 4.32Å; I40-M73 HydrophobicContact CB-SD 4.4Å; I40-M73 HydrophobicContact CD1-CE 3.62Å; I40-M73 HydrophobicContact CD1-SD 3.66Å; I40-M73 HydrophobicContact CG2-SD 3.79Å; T61-M73 WeakPolarHBondContact O-CA 3.06Å; L62-M73 HydrophobicContact CD2-CB 3.72Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.04Å; M73-L75 HydrophobicContact CE-CD1 4.08Å; M73-L75 HydrophobicContact CE-CD2 4.47Å; M73-L75 HydrophobicContact CE-CG 4.15Å; M73-L75 HydrophobicContact CG-CG 4.42Å; M73-L75 HydrophobicContact SD-CD2 4.34Å; M73-L75 HydrophobicContact SD-CG 4.49Å; M73-Y86 HydrophobicContact CE-CD1 3.68Å; M73-Y86 HydrophobicContact CE-CE1 4.29Å; M73-Y86 HydrophobicContact CE-CG 4.37Å
74	Q	98.1	Very high	96	Very high	76 Å²	76	43.8 Å²	43.8	36%	0.355	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	125.2	168.3	-177.2	173.2	-6.4	0	0	109.1	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.58Å; V10-Q74 VanDerWaalsContact O-CA 3.25Å; V10-Q74 WeakPolarHBondContact O-CA 3.43Å; A60-Q74 CarbonylContact C-O 3.6Å; A60-Q74 WeakPolarHBondContact CA-O 3.24Å; T61-Q74 PolarHBondContact N-O 2.92Å; T61-Q74 PolarHBondContact O-N 2.88Å
75	L	97.4	Very high	96.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.7	168.6	-67.8	171.3	0	0	0	108.6	S9 V10 M12 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.47Å; S9-L75 WeakPolarHBondContact CA-O 3.44Å; S9-L75 VanDerWaalsContact CB-O 3.24Å; S9-L75 WeakPolarHBondContact CB-O 3.25Å; V10-L75 HydrophobicContact CG1-CB 3.95Å; V10-L75 HydrophobicContact CG1-CD1 4.4Å; V10-L75 PolarHBondContact N-O 2.88Å; V10-L75 PolarHBondContact O-N 2.94Å; M12-L75 HydrophobicContact CE-CD1 3.65Å; M12-L75 HydrophobicContact CE-CG 4.11Å; K59-L75 WeakPolarHBondContact O-CA 3.44Å; A60-L75 HydrophobicContact CB-CD2 3.81Å; M73-L75 HydrophobicContact CE-CD1 4.08Å; M73-L75 HydrophobicContact CE-CD2 4.47Å; M73-L75 HydrophobicContact CE-CG 4.15Å; M73-L75 HydrophobicContact CG-CG 4.42Å; M73-L75 HydrophobicContact SD-CD2 4.34Å; M73-L75 HydrophobicContact SD-CG 4.49Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; L75-Y86 HydrophobicContact CD1-CD1 4.13Å; L75-Y86 HydrophobicContact CD1-CE1 3.45Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.45Å; L75-Y86 HydrophobicContact CD1-CE2 4.35Å
76	S	97.1	Very high	96.2	Very high	31 Å²	31	42.5 Å²	42.5	22%	0.217	26%	0.255	C	S	.	.			trans	-112.3	157.7	-179.8	-63.9	0	0	0	0	112.2	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.44Å; S9-S76 PolarHBondContact OG-OG 2.95Å; K59-S76 WeakPolarHBondContact CE-O 3Å; K59-S76 WeakPolarHBondContact CG-O 3.24Å; K59-S76 PolarHBondContact O-N 2.84Å; S76-L78 PolarHBondContact O-N 2.91Å
77	S	96.1	Very high	96.4	Very high	85 Å²	85	40 Å²	40	59%	0.594	24%	0.237	S	C	*	.	S	Bend	trans	52.6	52.7	174.9	-55.2	0	0	0	0	112.2	S8	S8-S77 PolarHBondContact O-N 2.81Å
78	L	96.5	Very high	96.5	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	21%	0.207	C	C	.	.			trans	-64.1	141.2	-174.5	-68.6	171.5	0	0	0	112.2	V4 G7 S8 V10 L75 S76 D82 V109	V4-L78 HydrophobicContact CB-CD1 4.37Å; V4-L78 HydrophobicContact CG2-CD1 3.47Å; V4-L78 VanDerWaalsContact CG2-CD1 3.47Å; G7-L78 PolarHBondContact N-O 3.24Å; S8-L78 WeakPolarHBondContact O-CB 3.09Å; S8-L78 VanDerWaalsContact O-CG 3.31Å; S8-L78 WeakPolarHBondContact O-CG 3.38Å; S8-L78 PolarHBondContact O-N 2.89Å; V10-L78 HydrophobicContact CB-CD1 4Å; V10-L78 HydrophobicContact CG1-CD1 3.7Å; V10-L78 HydrophobicContact CG1-CD2 4.34Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; S76-L78 PolarHBondContact O-N 2.91Å; L78-D82 WeakPolarHBondContact CA-OD2 3.37Å; L78-D82 HydrophobicContact CD2-CB 3.73Å; L78-V109 HydrophobicContact CB-CG1 4.15Å; L78-V109 HydrophobicContact CB-CG2 4.03Å; L78-V109 HydrophobicContact CD1-CG2 4.38Å
79	T	96.3	Very high	96.5	Very high	57 Å²	57	34 Å²	34	35%	0.35	19%	0.194	S	C	.	.			trans	-120.2	168.1	173.4	67	0	0	0	0	109.8	E81 D82 V109	T79-E81 PolarHBondContact O-N 2.84Å; T79-E81 VanDerWaalsContact O-N 3.11Å; T79-D82 PolarHBondContact N-OD2 2.96Å; T79-D82 WeakPolarHBondContact O-CB 3.45Å; T79-D82 PolarHBondContact O-N 3.35Å; T79-D82 PolarHBondContact OG1-OD2 2.83Å; T79-V109 WeakPolarHBondContact O-CB 3.33Å; T79-V109 WeakPolarHBondContact O-CG2 3.15Å
80	S	94.9	Very high	96.3	Very high	87 Å²	87	33.9 Å²	33.9	61%	0.608	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-54.1	-31.5	176	52.4	0	0	0	0	112.6	D82 S83	S80-D82 PolarHBondContact O-N 2.93Å; S80-S83 WeakPolarHBondContact O-CB 3.24Å; S80-S83 PolarHBondContact O-N 3.14Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 2.81Å; S80-S83 VanDerWaalsContact O-OG 3.07Å
81	E	93.4	Very high	95.7	Very high	131 Å²	131	34 Å²	34	61%	0.612	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-67.2	-13.3	176.5	-59.3	-174.9	173	0	0	114.3	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.81Å; R32-E81 PolarHBondContact NE-O 2.96Å; R32-E81 PolarHBondContact NH2-O 2.79Å; T79-E81 PolarHBondContact O-N 2.84Å; T79-E81 VanDerWaalsContact O-N 3.11Å; E81-S83 VanDerWaalsContact C-N 3.32Å
82	D	95.8	Very high	94.5	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.027	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-85.4	-5.2	173.5	-59.3	-47.7	0	0	0	113.5	K30 K59 L78 T79 S80 A84 Y86 V109	K30-D82 IonicContact NZ-OD1 3.63Å; K30-D82 PolarHBondContact NZ-OD1 3.48Å; K59-D82 WeakPolarHBondContact CE-OD2 3.35Å; K59-D82 IonicContact NZ-OD1 2.96Å; K59-D82 PolarHBondContact NZ-OD1 3.18Å; K59-D82 IonicContact NZ-OD2 2.58Å; K59-D82 PolarHBondContact NZ-OD2 3.02Å; L78-D82 WeakPolarHBondContact CA-OD2 3.37Å; L78-D82 HydrophobicContact CD2-CB 3.73Å; T79-D82 PolarHBondContact N-OD2 2.96Å; T79-D82 WeakPolarHBondContact O-CB 3.45Å; T79-D82 PolarHBondContact O-N 3.35Å; T79-D82 PolarHBondContact OG1-OD2 2.83Å; S80-D82 PolarHBondContact O-N 2.93Å; D82-A84 PolarHBondContact O-N 3.49Å; D82-A84 VanDerWaalsContact O-N 3.1Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.03Å; D82-Y86 PolarHBondContact O-OH 2.99Å; D82-V109 HydrophobicContact CB-CG2 4.22Å
83	S	97.3	Very high	92.8	Very high	35 Å²	35	39.8 Å²	39.8	25%	0.245	22%	0.223	C	C	.	.			trans	-64.2	112.7	173	-59.6	0	0	0	0	110.3	S80 E81 V107 V109	S80-S83 WeakPolarHBondContact O-CB 3.24Å; S80-S83 PolarHBondContact O-N 3.14Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 2.81Å; S80-S83 VanDerWaalsContact O-OG 3.07Å; E81-S83 VanDerWaalsContact C-N 3.32Å; S83-V107 VanDerWaalsContact CA-O 3.28Å; S83-V107 WeakPolarHBondContact CA-O 3.48Å; S83-V109 PolarHBondContact OG-N 3.49Å
84	A	97.5	Very high	90.7	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	168.8	-171.2	0	0	0	0	0	111	K30 Q31 R32 D82 Y86 V107	K30-A84 HydrophobicContact CD-CB 4.21Å; K30-A84 HydrophobicContact CG-CB 3.54Å; Q31-A84 WeakPolarHBondContact O-CA 3.23Å; Q31-A84 VanDerWaalsContact O-CB 3.32Å; Q31-A84 WeakPolarHBondContact O-CB 3.44Å; R32-A84 HydrophobicContact CG-CB 4.23Å; D82-A84 PolarHBondContact O-N 3.49Å; D82-A84 VanDerWaalsContact O-N 3.1Å; A84-Y86 HydrophobicContact CB-CD2 4.39Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; A84-V107 PolarHBondContact N-O 3.14Å; A84-V107 PolarHBondContact O-N 3.49Å
85	I	97.9	Very high	88.6	Confident	63 Å²	63	46.2 Å²	46.2	32%	0.323	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.8	162.8	-53.8	175.7	0	0	0	107.9	Q31 F87 T105 L106	Q31-I85 PolarHBondContact N-O 2.58Å; Q31-I85 PolarHBondContact O-N 2.81Å; I85-F87 HydrophobicContact CB-CE2 3.89Å; I85-F87 HydrophobicContact CB-CZ 4.02Å; I85-F87 HydrophobicContact CG2-CD1 4.47Å; I85-F87 HydrophobicContact CG2-CD2 4.2Å; I85-F87 HydrophobicContact CG2-CE1 3.83Å; I85-F87 HydrophobicContact CG2-CE2 3.53Å; I85-F87 HydrophobicContact CG2-CZ 3.32Å; I85-T105 WeakPolarHBondContact CA-O 3.29Å; I85-L106 HydrophobicContact CG1-CD1 4.18Å
86	Y	97.8	Very high	86.9	Confident	3 Å²	3	50.1 Å²	50.1	1%	0.012	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.3	178	-68.9	-89.3	0	0	0	109.8	M12 V29 K30 I40 M73 L75 D82 A84 G104 T105 V107	M12-Y86 HydrophobicContact CE-CD1 4.11Å; M12-Y86 HydrophobicContact CE-CD2 4.33Å; M12-Y86 HydrophobicContact CE-CG 3.93Å; M12-Y86 WeakPolarHBondContact SD-CB 3.22Å; M12-Y86 HydrophobicContact SD-CD1 4.49Å; M12-Y86 HydrophobicContact SD-CD2 4.09Å; M12-Y86 HydrophobicContact SD-CG 3.77Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.47Å; K30-Y86 HydrophobicContact CB-CD1 4.15Å; K30-Y86 HydrophobicContact CB-CE1 3.88Å; K30-Y86 HydrophobicContact CD-CE1 3.98Å; K30-Y86 WeakPolarHBondContact CE-OH 3.49Å; K30-Y86 HydrophobicContact CG-CD1 4.34Å; K30-Y86 HydrophobicContact CG-CE1 3.75Å; I40-Y86 HydrophobicContact CD1-CD1 3.74Å; I40-Y86 HydrophobicContact CD1-CE1 3.85Å; M73-Y86 HydrophobicContact CE-CD1 3.68Å; M73-Y86 HydrophobicContact CE-CE1 4.29Å; M73-Y86 HydrophobicContact CE-CG 4.37Å; L75-Y86 HydrophobicContact CD1-CD1 4.13Å; L75-Y86 HydrophobicContact CD1-CE1 3.45Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.45Å; L75-Y86 HydrophobicContact CD1-CE2 4.35Å; D82-Y86 VanDerWaalsContact O-CE2 3.31Å; D82-Y86 WeakPolarHBondContact O-CE2 3.03Å; D82-Y86 PolarHBondContact O-OH 2.99Å; A84-Y86 HydrophobicContact CB-CD2 4.39Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; Y86-G104 CarbonylContact O-C 3.55Å; Y86-G104 WeakPolarHBondContact O-CA 3.28Å; Y86-T105 PolarHBondContact N-O 3.08Å; Y86-T105 PolarHBondContact O-N 3.35Å; Y86-V107 HydrophobicContact CD2-CB 3.94Å; Y86-V107 HydrophobicContact CD2-CG2 3.73Å; Y86-V107 HydrophobicContact CE2-CB 3.81Å; Y86-V107 HydrophobicContact CE2-CG2 4.05Å
87	F	97.3	Very high	85.3	Confident	28 Å²	28	57.2 Å²	57.2	12%	0.123	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	147.4	-179.8	-58.4	-87.4	0	0	0	110.3	W28 V29 Q31 I85 W101	W28-F87 WeakPolarHBondContact CA-O 3.33Å; V29-F87 HydrophobicContact CB-CB 4.48Å; V29-F87 PolarHBondContact N-O 3.33Å; V29-F87 PolarHBondContact O-N 3.18Å; Q31-F87 HydrophobicContact CB-CD2 4.42Å; Q31-F87 HydrophobicContact CB-CE2 3.79Å; I85-F87 HydrophobicContact CB-CE2 3.89Å; I85-F87 HydrophobicContact CB-CZ 4.02Å; I85-F87 HydrophobicContact CG2-CD1 4.47Å; I85-F87 HydrophobicContact CG2-CD2 4.2Å; I85-F87 HydrophobicContact CG2-CE1 3.83Å; I85-F87 HydrophobicContact CG2-CE2 3.53Å; I85-F87 HydrophobicContact CG2-CZ 3.32Å; F87-W101 HydrophobicContact CB-CE3 3.71Å; F87-W101 HydrophobicContact CB-CZ3 3.79Å; F87-W101 HydrophobicContact CD1-CE3 4.46Å; F87-W101 HydrophobicContact CG-CE3 4.13Å; F87-W101 HydrophobicContact CG-CZ3 4.25Å
88	C	95.8	Very high	84.1	Confident	16 Å²	16	57.3 Å²	57.3	11%	0.108	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	145	158.4	66.7	0	0	0	0	109.8	C14 I26 N27 W28 G102	C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.4Å; C14-C88 WeakPolarHBondContact SG-CB 3.15Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.78Å; I26-C88 HydrophobicContact CG2-CB 3.97Å; N27-C88 CarbonylContact O-C 3.48Å; N27-C88 WeakPolarHBondContact O-CA 2.99Å; W28-C88 HydrophobicContact CD2-CB 4.36Å; W28-C88 HydrophobicContact CE3-CB 4.16Å; W28-C88 HydrophobicContact CH2-CB 4.27Å; W28-C88 HydrophobicContact CZ2-CB 4.43Å; W28-C88 HydrophobicContact CZ3-CB 4.13Å; C88-G102 PolarHBondContact O-N 3.4Å
89	A	93.9	Very high	83.1	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	127.8	177.9	0	0	0	0	0	111.4	N27 F98 Y100 W101	N27-A89 HydrophobicContact CB-CB 4.39Å; N27-A89 WeakPolarHBondContact CB-O 3.46Å; N27-A89 PolarHBondContact N-O 3.36Å; N27-A89 PolarHBondContact ND2-O 2.88Å; N27-A89 PolarHBondContact O-N 2.9Å; A89-F98 HydrophobicContact CB-CB 4.13Å; A89-F98 HydrophobicContact CB-CD1 3.91Å; A89-F98 HydrophobicContact CB-CG 4.2Å; A89-Y100 CarbonylContact C-O 3.49Å; A89-Y100 VanDerWaalsContact CA-O 3.23Å; A89-Y100 WeakPolarHBondContact CA-O 3.32Å; A89-W101 HydrophobicContact CB-CD2 3.69Å; A89-W101 HydrophobicContact CB-CE3 3.92Å; A89-W101 HydrophobicContact CB-CG 4.14Å; A89-W101 HydrophobicContact CB-CH2 4.29Å; A89-W101 HydrophobicContact CB-CZ2 4.09Å; A89-W101 HydrophobicContact CB-CZ3 4.21Å
90	R	90.6	Very high	82.6	Confident	35 Å²	35	63.5 Å²	63.5	13%	0.132	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	132.4	176.1	-171.9	-175.7	80.6	-173.8	11.4	110.2	Y19 Y24 I26 A99 Y100	Y19-R90 VanDerWaalsContact OH-CD 3.24Å; Y19-R90 WeakPolarHBondContact OH-CD 3.44Å; Y24-R90 HydrophobicContact CD1-CG 4.02Å; Y24-R90 HydrophobicContact CG-CG 4.15Å; I26-R90 HydrophobicContact CD1-CB 4.16Å; I26-R90 HydrophobicContact CD1-CG 4.23Å; R90-A99 PolarHBondContact O-N 3.1Å; R90-Y100 PolarHBondContact N-O 3.07Å
91	S	83	Confident	82.5	Confident	8 Å²	8	64.3 Å²	64.3	6%	0.056	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	140.2	169.9	58.3	0	0	0	0	111.9	Y24 G25 N27 Y42 W97	Y24-S91 WeakPolarHBondContact CD1-O 3.35Å; G25-S91 PolarHBondContact O-N 3.37Å; N27-S91 WeakPolarHBondContact ND2-CB 3.45Å; N27-S91 PolarHBondContact ND2-OG 2.8Å; N27-S91 VanDerWaalsContact ND2-OG 3.13Å; Y42-S91 WeakPolarHBondContact CE2-OG 3.29Å; S91-W97 WeakPolarHBondContact CA-O 3.43Å
92	T	72.6	Confident	82.5	Confident	45 Å²	45	59.6 Å²	59.6	28%	0.276	32%	0.317	S	S	.	.			trans	-80.7	150.4	171.3	48.7	0	0	0	0	110.6	Y24 V94 P95	Y24-T92 HydrophobicContact CD1-CG2 4.31Å; Y24-T92 HydrophobicContact CE1-CG2 3.79Å; T92-V94 PolarHBondContact O-N 3.25Å; T92-P95 PolarHBondContact OG1-O 2.93Å
93	M	62.6	Low	82.4	Confident	127 Å²	127	68.8 Å²	68.8	63%	0.626	36%	0.36	S	S	*	.	S	Bend	trans	-68.9	98.9	169.1	-69.9	-174.3	81.9	0	0	109.4	Y44	Y44-M93 HydrophobicContact CE2-CG 4.37Å; Y44-M93 HydrophobicContact CE2-SD 4.06Å
94	V	52.5	Low	82.3	Confident	128 Å²	128	68.7 Å²	68.7	78%	0.776	36%	0.364	S	S	*	.	S	Bend	trans	65.9	124.7	166.8	-154.2	0	0	0	0	117.2	T92	T92-V94 PolarHBondContact O-N 3.25Å
95	P	55.5	Low	82.2	Confident	83 Å²	83	70.6 Å²	70.6	54%	0.539	38%	0.376	S	S	.	.	S	Bend	cis	-67.8	147.2	-17.3	-4.1	21.6	0	0	0	109.3	T92 W97	T92-P95 PolarHBondContact OG1-O 2.93Å; P95-W97 VanDerWaalsContact C-N 3.29Å; P95-W97 PolarHBondContact O-N 3.02Å
96	A	59.9	Low	82.2	Confident	82 Å²	82	71.5 Å²	71.5	68%	0.678	38%	0.381	S	S	*	.			trans	-72	78.7	-175.2	0	0	0	0	0	111.4
97	W	64.4	Low	82.2	Confident	180 Å²	180	71.3 Å²	71.3	68%	0.682	38%	0.38	S	S	*	.			trans	-86.8	133.1	168.2	-55.7	96.2	0	0	0	108.7	S91 P95 A99	S91-W97 WeakPolarHBondContact CA-O 3.43Å; P95-W97 VanDerWaalsContact C-N 3.29Å; P95-W97 PolarHBondContact O-N 3.02Å; W97-A99 PolarHBondContact O-N 3.03Å
98	F	70.9	Confident	82.2	Confident	88 Å²	88	72.3 Å²	72.3	39%	0.386	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	77.9	165.5	-61.3	-53.8	0	0	0	108.8	N27 A89 Y100 W101	N27-F98 HydrophobicContact CB-CD1 4.11Å; N27-F98 HydrophobicContact CB-CE1 3.61Å; A89-F98 HydrophobicContact CB-CB 4.13Å; A89-F98 HydrophobicContact CB-CD1 3.91Å; A89-F98 HydrophobicContact CB-CG 4.2Å; F98-Y100 VanDerWaalsContact C-N 3.29Å; F98-Y100 PolarHBondContact O-N 3.01Å; F98-W101 HydrophobicContact CB-CZ2 3.77Å; F98-W101 VanDerWaalsContact CB-NE1 3.31Å; F98-W101 HydrophobicContact CD2-CH2 4.42Å; F98-W101 AromaticContact CD2-CZ2 3.62Å; F98-W101 HydrophobicContact CD2-CZ2 3.62Å; F98-W101 HydrophobicContact CE2-CZ2 4.36Å; F98-W101 AromaticContact CG-CZ2 3.77Å; F98-W101 HydrophobicContact CG-CZ2 3.77Å; F98-W101 PolarHBondContact O-NE1 3.4Å
99	A	74.4	Confident	82.2	Confident	46 Å²	46	72 Å²	72	38%	0.38	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	-27.8	-167.5	0	0	0	0	0	112.1	R90 W97	R90-A99 PolarHBondContact O-N 3.1Å; W97-A99 PolarHBondContact O-N 3.03Å
100	Y	86.8	Confident	82.2	Confident	143 Å²	143	77.4 Å²	77.4	56%	0.561	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.1	126.8	-176.8	-59.9	-95	0	0	0	110.7	A89 R90 F98	A89-Y100 CarbonylContact C-O 3.49Å; A89-Y100 VanDerWaalsContact CA-O 3.23Å; A89-Y100 WeakPolarHBondContact CA-O 3.32Å; R90-Y100 PolarHBondContact N-O 3.07Å; F98-Y100 VanDerWaalsContact C-N 3.29Å; F98-Y100 PolarHBondContact O-N 3.01Å
101	W	92.3	Very high	81.7	Confident	103 Å²	103	79.5 Å²	79.5	39%	0.39	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.9	178.9	-70.3	74.6	0	0	0	110.7	V29 L37 F87 A89 F98	V29-W101 HydrophobicContact CB-CH2 4.16Å; V29-W101 HydrophobicContact CB-CZ3 3.92Å; V29-W101 HydrophobicContact CG1-CH2 4.16Å; V29-W101 HydrophobicContact CG1-CZ3 4.14Å; V29-W101 HydrophobicContact CG2-CH2 3.79Å; V29-W101 HydrophobicContact CG2-CZ3 3.92Å; L37-W101 HydrophobicContact CD1-CH2 3.92Å; L37-W101 HydrophobicContact CD1-CZ2 4.49Å; L37-W101 HydrophobicContact CD1-CZ3 4.49Å; F87-W101 HydrophobicContact CB-CE3 3.71Å; F87-W101 HydrophobicContact CB-CZ3 3.79Å; F87-W101 HydrophobicContact CD1-CE3 4.46Å; F87-W101 HydrophobicContact CG-CE3 4.13Å; F87-W101 HydrophobicContact CG-CZ3 4.25Å; A89-W101 HydrophobicContact CB-CD2 3.69Å; A89-W101 HydrophobicContact CB-CE3 3.92Å; A89-W101 HydrophobicContact CB-CG 4.14Å; A89-W101 HydrophobicContact CB-CH2 4.29Å; A89-W101 HydrophobicContact CB-CZ2 4.09Å; A89-W101 HydrophobicContact CB-CZ3 4.21Å; F98-W101 HydrophobicContact CB-CZ2 3.77Å; F98-W101 VanDerWaalsContact CB-NE1 3.31Å; F98-W101 HydrophobicContact CD2-CH2 4.42Å; F98-W101 AromaticContact CD2-CZ2 3.62Å; F98-W101 HydrophobicContact CD2-CZ2 3.62Å; F98-W101 HydrophobicContact CE2-CZ2 4.36Å; F98-W101 AromaticContact CG-CZ2 3.77Å; F98-W101 HydrophobicContact CG-CZ2 3.77Å; F98-W101 PolarHBondContact O-NE1 3.4Å
102	G	93.1	Very high	81.7	Confident	32 Å²	32	83.3 Å²	83.3	33%	0.33	46%	0.458	S	S	.	.			trans	-69.8	163	164.1	0	0	0	0	0	111.2	C88 G104	C88-G102 PolarHBondContact O-N 3.4Å; G102-G104 PolarHBondContact O-N 2.6Å; G102-G104 VanDerWaalsContact O-N 3.12Å
103	Q	94.1	Very high	82.2	Confident	199 Å²	199	85.4 Å²	85.4	93%	0.93	47%	0.469	S	S	*	.			trans	-65.1	-14.8	178.7	-67.3	-179.1	-24.6	0	0	113.8
104	G	95.3	Very high	83.3	Confident	32 Å²	32	82.9 Å²	82.9	33%	0.33	46%	0.459	S	S	.	.			trans	84.2	155.2	-175.7	0	0	0	0	0	112.6	Y86 G102	Y86-G104 CarbonylContact O-C 3.55Å; Y86-G104 WeakPolarHBondContact O-CA 3.28Å; G102-G104 PolarHBondContact O-N 2.6Å; G102-G104 VanDerWaalsContact O-N 3.12Å
105	T	96.5	Very high	85.3	Confident	41 Å²	41	80.1 Å²	80.1	25%	0.252	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128	171.9	-170	0	0	0	0	109.8	M12 I85 Y86 V107	M12-T105 HydrophobicContact CG-CG2 3.88Å; M12-T105 HydrophobicContact SD-CG2 3.48Å; M12-T105 WeakPolarHBondContact SD-CG2 3.09Å; I85-T105 WeakPolarHBondContact CA-O 3.29Å; Y86-T105 PolarHBondContact N-O 3.08Å; Y86-T105 PolarHBondContact O-N 3.35Å; T105-V107 HydrophobicContact CG2-CG2 4.45Å; T105-V107 PolarHBondContact O-N 3.47Å
106	L	97.3	Very high	87.2	Confident	82 Å²	82	79.9 Å²	79.9	43%	0.429	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	124.1	171.5	176.7	64.6	0	0	0	109.1	A1 E2 I85	A1-L106 CarbonylContact C-O 3.58Å; A1-L106 WeakPolarHBondContact CA-O 3.32Å; A1-L106 HydrophobicContact CB-CB 4.01Å; A1-L106 HydrophobicContact CB-CD2 4.49Å; E2-L106 PolarHBondContact N-O 3.23Å; I85-L106 HydrophobicContact CG1-CD1 4.18Å
107	V	97.1	Very high	89.2	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.9	166.1	178.1	0	0	0	0	107.6	E2 V4 V10 M12 S83 A84 Y86 T105 V109	E2-V107 CarbonylContact O-C 3.43Å; E2-V107 WeakPolarHBondContact O-CA 3.38Å; V4-V107 HydrophobicContact CG2-CG1 4.01Å; V10-V107 HydrophobicContact CG1-CG1 4.47Å; M12-V107 HydrophobicContact SD-CG2 3.99Å; S83-V107 VanDerWaalsContact CA-O 3.28Å; S83-V107 WeakPolarHBondContact CA-O 3.48Å; A84-V107 PolarHBondContact N-O 3.14Å; A84-V107 PolarHBondContact O-N 3.49Å; Y86-V107 HydrophobicContact CD2-CB 3.94Å; Y86-V107 HydrophobicContact CD2-CG2 3.73Å; Y86-V107 HydrophobicContact CE2-CB 3.81Å; Y86-V107 HydrophobicContact CE2-CG2 4.05Å; T105-V107 HydrophobicContact CG2-CG2 4.45Å; T105-V107 PolarHBondContact O-N 3.47Å; V107-V109 HydrophobicContact CG1-CG2 4.43Å
108	T	97.4	Very high	91.1	Very high	49 Å²	49	72.1 Å²	72.1	30%	0.301	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.5	177.2	-57.4	0	0	0	0	109	E2 L3 V4	E2-T108 PolarHBondContact O-N 2.96Å; L3-T108 WeakPolarHBondContact CA-O 3.32Å; L3-T108 HydrophobicContact CD1-CG2 3.8Å; V4-T108 PolarHBondContact N-O 3.24Å
109	V	96.6	Very high	92.8	Very high	8 Å²	8	70.8 Å²	70.8	5%	0.048	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	109	179.4	-168.6	0	0	0	0	108.5	V4 P6 L78 T79 D82 S83 V107	V4-V109 HydrophobicContact CG2-CB 4.4Å; V4-V109 HydrophobicContact CG2-CG1 4.49Å; V4-V109 HydrophobicContact CG2-CG2 3.83Å; V4-V109 WeakPolarHBondContact O-CA 3.45Å; P6-V109 HydrophobicContact CB-CG1 4.4Å; P6-V109 HydrophobicContact CG-CG1 4.15Å; L78-V109 HydrophobicContact CB-CG1 4.15Å; L78-V109 HydrophobicContact CB-CG2 4.03Å; L78-V109 HydrophobicContact CD1-CG2 4.38Å; T79-V109 WeakPolarHBondContact O-CB 3.33Å; T79-V109 WeakPolarHBondContact O-CG2 3.15Å; D82-V109 HydrophobicContact CB-CG2 4.22Å; S83-V109 PolarHBondContact OG-N 3.49Å; V107-V109 HydrophobicContact CG1-CG2 4.43Å
110	S	92.6	Very high	94.4	Very high	114 Å²	114	73 Å²	73	80%	0.797	40%	0.397	S	S	*	.			trans	-145.9	0	-177.6	68.5	0	0	0	0	112.6	L3 V4	L3-S110 WeakPolarHBondContact CD1-OG 3.37Å; V4-S110 PolarHBondContact O-N 2.61Å

Retrieved 110 of 110 residues in 40.7 ms (Link to these results)

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