X5J5G1_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5G1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 105 aa.

						>X5J5G1_MOUSE|X5J5G1
AELVKPGASVKMSCKPSGYTFTSYWMHWVKQRPGQGLEWIGNINPSNGGTNYNEKFKSKATLTVDKSSSTAYMQLNSLTSEDSAVYYCAFNGYYLFGYWGQGTTL
					

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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	58.3	Low	83	Confident	113 Å²	113	89.1 Å²	89.1	93%	0.934	53%	0.53	S	S	*	.				0	127	0	0	0	0	0	0	107.5	T104	A1-T104 CarbonylContact C-O 3.6Å; A1-T104 VanDerWaalsContact CA-O 3.23Å; A1-T104 WeakPolarHBondContact CA-O 3.2Å
2	E	67.6	Low	84	Confident	90 Å²	90	82.5 Å²	82.5	42%	0.421	49%	0.49	S	S	.	.			trans	-105.5	112.5	179.3	-171.6	171.2	174.9	0	0	108.9	V4 V10 T104 L105	E2-V4 PolarHBondContact O-N 3.27Å; E2-V10 VanDerWaalsContact CD-CG2 3.43Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.49Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.19Å; E2-T104 PolarHBondContact N-O 3.48Å; E2-L105 HydrophobicContact CB-CD1 4.17Å
3	L	74.6	Confident	84.9	Confident	174 Å²	174	82.5 Å²	82.5	91%	0.911	50%	0.496	S	S	*	.			trans	-87.6	107.6	177.8	-83.6	150.6	0	0	0	109.2
4	V	80.3	Confident	85.6	Confident	49 Å²	49	77.4 Å²	77.4	30%	0.297	47%	0.466	S	S	.	.			trans	-112.5	146.7	-179.2	-114.6	0	0	0	0	111.6	E2 A8 L78 L105	E2-V4 PolarHBondContact O-N 3.27Å; V4-A8 HydrophobicContact CB-CB 4.49Å; V4-A8 HydrophobicContact CG1-CB 4Å; V4-L78 HydrophobicContact CB-CD1 3.9Å; V4-L78 HydrophobicContact CG1-CD1 4.34Å; V4-L78 HydrophobicContact CG2-CD1 3.59Å; V4-L105 HydrophobicContact CG2-CD1 3.34Å; V4-L105 HydrophobicContact CG2-CG 4.03Å
5	K	83.2	Confident	86	Confident	174 Å²	174	81.9 Å²	81.9	76%	0.757	48%	0.478	S	S	*	.			trans	-72.8	146.4	175.3	-65.3	-178.4	-177.9	179.2	0	110.2	G7 A8	K5-G7 PolarHBondContact O-N 3.01Å; K5-A8 WeakPolarHBondContact O-CB 3.44Å; K5-A8 PolarHBondContact O-N 3.24Å; K5-A8 VanDerWaalsContact O-N 3.08Å
6	P	85.8	Confident	86	Confident	117 Å²	117	78.3 Å²	78.3	76%	0.76	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	140.2	168.9	-25.2	34.3	0	0	0	111.4	A8 L78	P6-A8 PolarHBondContact O-N 2.8Å; P6-L78 WeakPolarHBondContact CA-O 3.31Å
7	G	86.9	Confident	85.8	Confident	53 Å²	53	79.9 Å²	79.9	55%	0.546	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	-11	-176.3	0	0	0	0	0	115	K5 L78	K5-G7 PolarHBondContact O-N 3.01Å; G7-L78 PolarHBondContact N-O 2.86Å
8	A	91.8	Very high	85.5	Confident	33 Å²	33	80.4 Å²	80.4	27%	0.273	50%	0.499	S	S	.	.			trans	-70.5	165.1	172.9	0	0	0	0	0	111.6	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.49Å; V4-A8 HydrophobicContact CG1-CB 4Å; K5-A8 WeakPolarHBondContact O-CB 3.44Å; K5-A8 PolarHBondContact O-N 3.24Å; K5-A8 VanDerWaalsContact O-N 3.08Å; P6-A8 PolarHBondContact O-N 2.8Å; A8-S77 PolarHBondContact O-N 2.92Å; A8-L78 WeakPolarHBondContact O-CB 3.38Å; A8-L78 VanDerWaalsContact O-CG 3.27Å; A8-L78 WeakPolarHBondContact O-CG 3.26Å; A8-L78 PolarHBondContact O-N 2.97Å
9	S	93.9	Very high	85.1	Confident	60 Å²	60	79.2 Å²	79.2	42%	0.42	48%	0.484	S	S	.	.			trans	-108.9	145.9	168	-61.8	0	0	0	0	109.8	L75 N76	S9-L75 CarbonylContact C-O 3.5Å; S9-L75 WeakPolarHBondContact CA-O 3.12Å; S9-L75 WeakPolarHBondContact CB-O 3.08Å; S9-N76 WeakPolarHBondContact CB-OD1 3.32Å; S9-N76 WeakPolarHBondContact OG-CA 3.23Å; S9-N76 PolarHBondContact OG-OD1 2.77Å
10	V	94.7	Very high	85.2	Confident	3 Å²	3	79.6 Å²	79.6	2%	0.018	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	143.7	173.9	67	0	0	0	0	109.9	E2 M12 Q74 L75 L78 L105	E2-V10 VanDerWaalsContact CD-CG2 3.43Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.49Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.19Å; V10-M12 HydrophobicContact CG1-CG 4.37Å; V10-M12 HydrophobicContact CG2-CG 4.32Å; V10-Q74 CarbonylContact O-C 3.6Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.31Å; V10-L75 HydrophobicContact CG1-CB 3.98Å; V10-L75 HydrophobicContact CG1-CD1 4.32Å; V10-L75 HydrophobicContact CG1-CG 4.5Å; V10-L75 PolarHBondContact N-O 2.84Å; V10-L75 PolarHBondContact O-N 2.89Å; V10-L78 HydrophobicContact CB-CD1 4.09Å; V10-L78 HydrophobicContact CG1-CD1 3.9Å; V10-L78 HydrophobicContact CG1-CD2 4.3Å; V10-L105 HydrophobicContact CB-CD1 4.13Å; V10-L105 HydrophobicContact CG1-CD1 3.88Å; V10-L105 HydrophobicContact CG1-CD2 3.71Å; V10-L105 HydrophobicContact CG1-CG 4.47Å; V10-L105 HydrophobicContact CG2-CD1 3.92Å
11	K	95.4	Very high	85.2	Confident	114 Å²	114	76.3 Å²	76.3	50%	0.496	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	116.9	174.8	-173.7	177.1	179.8	179	0	109.9	Y72	K11-Y72 HydrophobicContact CD-CD1 4.33Å; K11-Y72 VanDerWaalsContact CE-CD1 3.45Å; K11-Y72 VanDerWaalsContact CE-CG 3.45Å; K11-Y72 HydrophobicContact CG-CD1 4.22Å
12	M	95.3	Very high	86.7	Confident	10 Å²	10	73.8 Å²	73.8	5%	0.049	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	140.7	-175.8	-46	177.3	75.3	0	0	108.5	V10 W28 Y72 M73 L75 Y86 T103	V10-M12 HydrophobicContact CG1-CG 4.37Å; V10-M12 HydrophobicContact CG2-CG 4.32Å; M12-W28 HydrophobicContact CB-CH2 4.22Å; M12-W28 HydrophobicContact CB-CZ3 4.08Å; M12-Y72 CarbonylContact O-C 3.53Å; M12-Y72 WeakPolarHBondContact O-CA 3.49Å; M12-Y72 WeakPolarHBondContact O-CB 3.34Å; M12-M73 HydrophobicContact CG-CE 4.44Å; M12-M73 PolarHBondContact N-O 2.96Å; M12-M73 PolarHBondContact O-N 2.03Å; M12-M73 HydrophobicContact SD-CE 3.33Å; M12-M73 WeakPolarHBondContact SD-CE 3.1Å; M12-L75 HydrophobicContact SD-CD1 4.32Å; M12-Y86 VanDerWaalsContact CE-CB 3.42Å; M12-Y86 HydrophobicContact CE-CD2 3.89Å; M12-Y86 HydrophobicContact CE-CG 3.79Å; M12-Y86 HydrophobicContact SD-CD1 4.46Å; M12-Y86 HydrophobicContact SD-CD2 4.25Å; M12-Y86 HydrophobicContact SD-CG 3.99Å; M12-T103 HydrophobicContact CE-CG2 2.99Å
13	S	95.7	Very high	87.7	Confident	82 Å²	82	73 Å²	73	57%	0.573	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	148.4	179.7	65.9	0	0	0	0	111.4	A71 Y72	S13-A71 CarbonylContact C-O 3.46Å; S13-A71 WeakPolarHBondContact CA-O 3.38Å; S13-Y72 VanDerWaalsContact CB-CE1 3.43Å
14	C	94.2	Very high	88.2	Confident	11 Å²	11	67.7 Å²	67.7	7%	0.074	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	115.2	171.5	-178.6	0	0	0	0	108.8	M26 W28 A71 C88	C14-M26 VanDerWaalsContact SG-SD 3.65Å; C14-W28 HydrophobicContact CB-CH2 3.76Å; C14-W28 HydrophobicContact CB-CZ2 3.91Å; C14-A71 PolarHBondContact N-O 2.95Å; C14-A71 PolarHBondContact O-N 3.12Å; 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 3.43Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.8Å
15	K	92.4	Very high	88.8	Confident	146 Å²	146	69.6 Å²	69.6	64%	0.635	41%	0.414	S	S	*	.			trans	-114.1	113.9	175.8	-177.7	171.7	-176.3	171.8	0	108.7	S68 T70	K15-S68 WeakPolarHBondContact CE-O 3.3Å; K15-T70 HydrophobicContact CB-CG2 4.43Å
16	P	85.2	Confident	89.3	Confident	23 Å²	23	61.4 Å²	61.4	15%	0.149	38%	0.378	C	S	.	.			trans	-78.9	161.1	179.3	24	-24.1	0	0	0	114.1	Y19 F21 M26 S69	P16-Y19 HydrophobicContact CB-CD1 4.37Å; P16-Y19 HydrophobicContact CB-CE1 3.27Å; P16-Y19 HydrophobicContact CB-CE2 4.15Å; P16-Y19 WeakPolarHBondContact CB-OH 3.3Å; P16-Y19 HydrophobicContact CG-CE1 4.22Å; P16-Y19 HydrophobicContact CG-CE2 4.25Å; P16-Y19 VanDerWaalsContact CG-OH 3.31Å; P16-Y19 WeakPolarHBondContact CG-OH 2.97Å; P16-F21 HydrophobicContact CG-CB 4.42Å; P16-F21 HydrophobicContact CG-CD2 3.43Å; P16-F21 VanDerWaalsContact CG-CD2 3.43Å; P16-F21 HydrophobicContact CG-CE2 4.07Å; P16-F21 HydrophobicContact CG-CG 4.33Å; P16-M26 HydrophobicContact CB-CE 4.42Å; P16-M26 HydrophobicContact CG-CE 3.97Å; P16-S69 WeakPolarHBondContact CD-O 3.5Å
17	S	83.8	Confident	89.7	Confident	106 Å²	106	56.4 Å²	56.4	74%	0.741	35%	0.345	S	S	*	.			trans	-129	148.7	174.2	58.9	0	0	0	0	110.5	Y19	S17-Y19 VanDerWaalsContact O-CD1 3.31Å; S17-Y19 WeakPolarHBondContact O-CD1 3.4Å
18	G	79.5	Confident	90.1	Very high	90 Å²	90	54.2 Å²	54.2	93%	0.928	32%	0.32	S	S	*	.	S	Bend	trans	86.6	5.2	171.7	0	0	0	0	0	116.7
19	Y	77.9	Confident	90.4	Very high	56 Å²	56	53 Å²	53	22%	0.22	31%	0.309	C	S	.	.	S	Bend	trans	-158	168.4	175.1	64.8	-79.4	0	0	0	112.1	P16 S17 F21 Y24 F90	P16-Y19 HydrophobicContact CB-CD1 4.37Å; P16-Y19 HydrophobicContact CB-CE1 3.27Å; P16-Y19 HydrophobicContact CB-CE2 4.15Å; P16-Y19 WeakPolarHBondContact CB-OH 3.3Å; P16-Y19 HydrophobicContact CG-CE1 4.22Å; P16-Y19 HydrophobicContact CG-CE2 4.25Å; P16-Y19 VanDerWaalsContact CG-OH 3.31Å; P16-Y19 WeakPolarHBondContact CG-OH 2.97Å; S17-Y19 VanDerWaalsContact O-CD1 3.31Å; S17-Y19 WeakPolarHBondContact O-CD1 3.4Å; Y19-F21 PolarHBondContact O-N 3.23Å; Y19-Y24 AromaticContact CD2-CD2 3.7Å; Y19-Y24 HydrophobicContact CD2-CD2 3.7Å; Y19-Y24 HydrophobicContact CD2-CE2 4.18Å; Y19-Y24 AromaticContact CE2-CD2 3.99Å; Y19-Y24 HydrophobicContact CE2-CD2 3.99Å; Y19-F90 HydrophobicContact CD1-CD2 4.33Å; Y19-F90 AromaticContact CD1-CE2 3.49Å; Y19-F90 HydrophobicContact CD1-CE2 3.49Å; Y19-F90 VanDerWaalsContact CD1-CE2 3.49Å; Y19-F90 AromaticContact CD1-CZ 3.6Å; Y19-F90 HydrophobicContact CD1-CZ 3.6Å; Y19-F90 HydrophobicContact CD2-CE2 4.38Å; Y19-F90 HydrophobicContact CE1-CD1 4.02Å; Y19-F90 AromaticContact CE1-CD2 3.68Å; Y19-F90 HydrophobicContact CE1-CD2 3.68Å; Y19-F90 AromaticContact CE1-CE1 3.41Å; Y19-F90 HydrophobicContact CE1-CE1 3.41Å; Y19-F90 VanDerWaalsContact CE1-CE1 3.41Å; Y19-F90 AromaticContact CE1-CE2 3.02Å; Y19-F90 HydrophobicContact CE1-CE2 3.02Å; Y19-F90 HydrophobicContact CE1-CG 4.12Å; Y19-F90 AromaticContact CE1-CZ 2.86Å; Y19-F90 HydrophobicContact CE1-CZ 2.86Å; Y19-F90 AromaticContact CE2-CD2 3.82Å; Y19-F90 HydrophobicContact CE2-CD2 3.82Å; Y19-F90 AromaticContact CE2-CE2 3.96Å; Y19-F90 HydrophobicContact CE2-CE2 3.96Å; Y19-F90 HydrophobicContact CE2-CG 4.24Å; Y19-F90 HydrophobicContact CE2-CZ 4.48Å; Y19-F90 HydrophobicContact CG-CE2 4.15Å; Y19-F90 AromaticContact CZ-CD1 3.69Å; Y19-F90 AromaticContact CZ-CD2 3.32Å; Y19-F90 AromaticContact CZ-CE1 3.6Å; Y19-F90 AromaticContact CZ-CE2 3.23Å; Y19-F90 AromaticContact CZ-CG 3.54Å; Y19-F90 AromaticContact CZ-CZ 3.38Å; Y19-F90 WeakPolarHBondContact OH-CD1 2.97Å; Y19-F90 VanDerWaalsContact OH-CD2 3.3Å; Y19-F90 WeakPolarHBondContact OH-CD2 3.38Å; Y19-F90 WeakPolarHBondContact OH-CE1 3.32Å; Y19-F90 WeakPolarHBondContact OH-CG 3.27Å; Y19-F90 WeakPolarHBondContact OH-CZ 3.34Å
20	T	86.7	Confident	90.5	Very high	88 Å²	88	50.1 Å²	50.1	54%	0.54	29%	0.289	S	S	.	.			trans	-71.1	113.7	177	-58.5	0	0	0	0	110.6	T22 S23	T20-T22 WeakPolarHBondContact CG2-OG1 3.18Å; T20-T22 PolarHBondContact O-N 3.24Å; T20-S23 WeakPolarHBondContact CB-OG 3.15Å; T20-S23 WeakPolarHBondContact O-CB 3.5Å; T20-S23 PolarHBondContact O-N 2.67Å; T20-S23 PolarHBondContact O-OG 3.39Å
21	F	86.4	Confident	90.5	Very high	10 Å²	10	53.1 Å²	53.1	4%	0.044	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-51.2	-34.3	-175.9	176.1	-126.4	0	0	0	114.5	P16 Y19 M26 P45 V64 S69 T70 A71	P16-F21 HydrophobicContact CG-CB 4.42Å; P16-F21 HydrophobicContact CG-CD2 3.43Å; P16-F21 VanDerWaalsContact CG-CD2 3.43Å; P16-F21 HydrophobicContact CG-CE2 4.07Å; P16-F21 HydrophobicContact CG-CG 4.33Å; Y19-F21 PolarHBondContact O-N 3.23Å; F21-M26 HydrophobicContact CE2-CE 4.24Å; F21-P45 HydrophobicContact CD1-CB 3.99Å; F21-P45 HydrophobicContact CD2-CB 4.25Å; F21-P45 HydrophobicContact CD2-CG 4.31Å; F21-P45 HydrophobicContact CE1-CB 3.71Å; F21-P45 HydrophobicContact CE2-CB 4.01Å; F21-P45 HydrophobicContact CE2-CG 3.99Å; F21-P45 HydrophobicContact CG-CB 4.28Å; F21-P45 HydrophobicContact CZ-CB 3.73Å; F21-P45 HydrophobicContact CZ-CG 4.13Å; F21-P45 WeakPolarHBondContact O-CB 3.3Å; F21-P45 WeakPolarHBondContact O-CG 3.16Å; F21-V64 HydrophobicContact CE1-CG2 3.33Å; F21-V64 HydrophobicContact CZ-CG2 3.49Å; F21-V64 VanDerWaalsContact CZ-CG2 3.49Å; F21-S69 VanDerWaalsContact CD1-CA 3.41Å; F21-S69 VanDerWaalsContact CE1-C 3.48Å; F21-T70 VanDerWaalsContact CZ-C 3.46Å; F21-A71 HydrophobicContact CE2-CB 4.17Å; F21-A71 HydrophobicContact CZ-CB 4.09Å
22	T	89.7	Confident	90.5	Very high	60 Å²	60	49.6 Å²	49.6	37%	0.368	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-83	-6.1	-177.8	53.6	0	0	0	0	114.7	T20	T20-T22 WeakPolarHBondContact CG2-OG1 3.18Å; T20-T22 PolarHBondContact O-N 3.24Å
23	S	87.4	Confident	90.2	Very high	74 Å²	74	54.9 Å²	54.9	52%	0.517	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-80.1	-21.4	-174.9	-64.9	0	0	0	0	114.3	T20	T20-S23 WeakPolarHBondContact CB-OG 3.15Å; T20-S23 WeakPolarHBondContact O-CB 3.5Å; T20-S23 PolarHBondContact O-N 2.67Å; T20-S23 PolarHBondContact O-OG 3.39Å
24	Y	86.8	Confident	90	Very high	63 Å²	63	55.4 Å²	55.4	25%	0.247	34%	0.34	C	S	.	.	S	Bend	trans	-136.7	150.9	-171.8	-58.7	-67.9	0	0	0	112.4	Y19 P45 N91	Y19-Y24 AromaticContact CD2-CD2 3.7Å; Y19-Y24 HydrophobicContact CD2-CD2 3.7Å; Y19-Y24 HydrophobicContact CD2-CE2 4.18Å; Y19-Y24 AromaticContact CE2-CD2 3.99Å; Y19-Y24 HydrophobicContact CE2-CD2 3.99Å; Y24-P45 WeakPolarHBondContact O-CD 3.3Å; Y24-P45 WeakPolarHBondContact O-CG 3.42Å; Y24-N91 WeakPolarHBondContact CB-O 3.33Å; Y24-N91 WeakPolarHBondContact CD1-O 3.48Å; Y24-N91 WeakPolarHBondContact CE1-O 3.24Å
25	W	91.8	Very high	89.9	Confident	89 Å²	89	59.5 Å²	59.5	34%	0.337	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-69	136.1	173	-70	67.1	0	0	0	110	H27 N42 N44 N51	W25-H27 PolarHBondContact O-CD2 2.89Å; W25-N42 HydrophobicContact CE3-CB 4.08Å; W25-N42 VanDerWaalsContact CE3-CG 3.41Å; W25-N42 WeakPolarHBondContact CZ3-OD1 3.22Å; W25-N44 HydrophobicContact CD2-CB 3.76Å; W25-N44 HydrophobicContact CE3-CB 3.88Å; W25-N44 HydrophobicContact CG-CB 4.4Å; W25-N44 HydrophobicContact CH2-CB 3.99Å; W25-N44 HydrophobicContact CZ2-CB 3.84Å; W25-N44 HydrophobicContact CZ3-CB 3.99Å; W25-N51 WeakPolarHBondContact CH2-ND2 3.37Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.44Å
26	M	93.1	Very high	89.9	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.01	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	121.6	172.5	-173	66.3	70.4	0	0	108.8	C14 P16 F21 N42 I43 P45 A71 C88 F90	C14-M26 VanDerWaalsContact SG-SD 3.65Å; P16-M26 HydrophobicContact CB-CE 4.42Å; P16-M26 HydrophobicContact CG-CE 3.97Å; F21-M26 HydrophobicContact CE2-CE 4.24Å; M26-N42 CarbonylContact O-C 3.56Å; M26-N42 WeakPolarHBondContact O-CA 3.49Å; M26-N42 VanDerWaalsContact O-CB 3.31Å; M26-N42 WeakPolarHBondContact O-CB 3.33Å; M26-I43 HydrophobicContact CB-CG2 3.98Å; M26-I43 PolarHBondContact N-O 3.01Å; M26-I43 PolarHBondContact O-N 3.43Å; M26-P45 HydrophobicContact CB-CG 4.47Å; M26-A71 HydrophobicContact CB-CB 4.21Å; M26-A71 HydrophobicContact CG-CB 3.83Å; M26-C88 HydrophobicContact CG-CB 4.48Å; M26-C88 HydrophobicContact SD-CB 3.85Å; M26-F90 HydrophobicContact SD-CB 4.42Å
27	H	94.8	Very high	90.3	Very high	12 Å²	12	58.7 Å²	58.7	6%	0.056	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	146.8	179.5	-63.5	-114.9	0	0	0	110.5	W25 W39 G41 N42 C88 A89 N91 F96	W25-H27 PolarHBondContact O-CD2 2.89Å; H27-W39 AromaticContact CG-NE1 3.98Å; H27-W39 AromaticContact ND1-NE1 3.27Å; H27-W39 PolarHBondContact ND1-NE1 2.92Å; H27-G41 WeakPolarHBondContact CA-O 3.23Å; H27-N42 HydrophobicContact CB-CB 4.33Å; H27-N42 PolarHBondContact CE1-ND2 3.08Å; H27-N42 VanDerWaalsContact CE1-ND2 3.3Å; H27-C88 CarbonylContact O-C 3.54Å; H27-C88 WeakPolarHBondContact O-CA 3.41Å; H27-A89 PolarHBondContact N-O 3.45Å; H27-A89 PolarHBondContact O-N 2.61Å; H27-N91 PolarHBondContact NE2-ND2 3.34Å; H27-F96 HydrophobicContact CB-CE1 3.84Å; H27-F96 AromaticContact CD2-CE1 3.64Å; H27-F96 AromaticContact CE1-CE1 3.58Å; H27-F96 AromaticContact CE1-CZ 3.76Å; H27-F96 AromaticContact CG-CE1 3.42Å; H27-F96 VanDerWaalsContact CG-CE1 3.42Å; H27-F96 AromaticContact ND1-CE1 3.39Å; H27-F96 WeakPolarHBondContact ND1-CE1 3.44Å; H27-F96 AromaticContact ND1-CZ 3.68Å; H27-F96 AromaticContact NE2-CE1 3.77Å
28	W	96.5	Very high	90.9	Very high	6 Å²	6	55.3 Å²	55.3	2%	0.023	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.6	175.1	-68	90.8	0	0	0	109.8	M12 C14 I40 G41 L62 M73 Y87 C88	M12-W28 HydrophobicContact CB-CH2 4.22Å; M12-W28 HydrophobicContact CB-CZ3 4.08Å; C14-W28 HydrophobicContact CB-CH2 3.76Å; C14-W28 HydrophobicContact CB-CZ2 3.91Å; W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.33Å; W28-I40 WeakPolarHBondContact O-CB 3.27Å; W28-I40 PolarHBondContact O-N 2.78Å; W28-G41 PolarHBondContact N-O 2.56Å; W28-L62 VanDerWaalsContact CD1-CD2 3.48Å; W28-L62 HydrophobicContact CG-CD2 4.04Å; W28-M73 HydrophobicContact CB-SD 3.86Å; W28-M73 HydrophobicContact CD2-CB 3.59Å; W28-M73 HydrophobicContact CD2-CE 4.45Å; W28-M73 HydrophobicContact CD2-CG 4.39Å; W28-M73 HydrophobicContact CD2-SD 4.05Å; W28-M73 HydrophobicContact CE3-CB 3.8Å; W28-M73 HydrophobicContact CE3-CE 3.84Å; W28-M73 HydrophobicContact CE3-SD 4.04Å; W28-M73 HydrophobicContact CG-CB 4.11Å; W28-M73 HydrophobicContact CG-SD 4Å; W28-M73 HydrophobicContact CH2-CB 4.03Å; W28-M73 HydrophobicContact CZ2-CB 3.85Å; W28-M73 HydrophobicContact CZ3-CB 4.01Å; W28-M73 HydrophobicContact CZ3-CE 4.32Å; W28-Y87 WeakPolarHBondContact CA-O 3.36Å; W28-C88 HydrophobicContact CD2-CB 4.47Å; W28-C88 HydrophobicContact CE3-CB 4.27Å; W28-C88 HydrophobicContact CH2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.24Å
29	V	96.3	Very high	91.6	Very high	7 Å²	7	54.9 Å²	54.9	4%	0.042	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	136.8	-172.9	-176.3	0	0	0	0	109.1	L37 E38 Y86 Y87 W99	V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 3.97Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; V29-E38 CarbonylContact C-O 3.43Å; V29-E38 WeakPolarHBondContact CA-O 3.43Å; V29-Y86 CarbonylContact O-C 3.56Å; V29-Y86 WeakPolarHBondContact O-CA 3.39Å; V29-Y87 PolarHBondContact N-O 3.18Å; V29-Y87 PolarHBondContact O-N 2.99Å; V29-W99 HydrophobicContact CB-CH2 4.19Å; V29-W99 HydrophobicContact CB-CZ3 3.89Å; V29-W99 HydrophobicContact CG1-CH2 4.12Å; V29-W99 HydrophobicContact CG1-CZ3 4.05Å; V29-W99 HydrophobicContact CG2-CH2 3.81Å; V29-W99 HydrophobicContact CG2-CZ3 3.9Å
30	K	96.2	Very high	92.5	Very high	1 Å²	1	52.2 Å²	52.2	0%	0.004	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	141.4	174.8	179.8	178.1	-178.6	172.7	0	109.8	E38 I40 F56 E81 D82 A84 V85 Y86	K30-E38 HydrophobicContact CB-CB 4.33Å; K30-E38 PolarHBondContact N-O 3.13Å; K30-E38 PolarHBondContact O-N 3.09Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.19Å; K30-F56 HydrophobicContact CD-CE1 3.91Å; K30-F56 HydrophobicContact CD-CZ 4.1Å; K30-E81 PolarHBondContact NZ-O 2.85Å; K30-D82 IonicContact NZ-OD1 3.61Å; K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.6Å; K30-V85 CarbonylContact C-O 3.58Å; K30-Y86 HydrophobicContact CB-CD1 4.05Å; K30-Y86 HydrophobicContact CB-CE1 3.85Å; K30-Y86 HydrophobicContact CD-CE1 3.88Å; K30-Y86 WeakPolarHBondContact CE-OH 3.35Å; K30-Y86 HydrophobicContact CG-CD1 4.28Å; K30-Y86 HydrophobicContact CG-CE1 3.75Å
31	Q	96.1	Very high	93	Very high	66 Å²	66	48 Å²	48	31%	0.308	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	116.9	171.6	-170.1	-178.1	29.6	0	0	110.1	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.88Å; Q31-L37 HydrophobicContact CG-CD2 3.97Å; Q31-A84 WeakPolarHBondContact O-CA 2.88Å; Q31-A84 VanDerWaalsContact O-CB 3.32Å; Q31-A84 WeakPolarHBondContact O-CB 3.45Å; Q31-V85 PolarHBondContact N-O 2.82Å; Q31-V85 PolarHBondContact O-N 2.91Å; Q31-Y87 HydrophobicContact CB-CD2 4.44Å; Q31-Y87 HydrophobicContact CB-CE2 3.72Å; Q31-Y87 PolarHBondContact OE1-OH 3.41Å
32	R	94	Very high	93.5	Very high	40 Å²	40	48.4 Å²	48.4	15%	0.151	28%	0.281	C	S	.	.			trans	-87.9	150.6	170.6	-63.2	-169.8	-174.7	131.4	-16.7	110.6	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 3.06Å; R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 4.05Å; R32-Q35 PolarHBondContact O-N 2.81Å; R32-E38 IonicContact CZ-OE1 3.77Å; R32-E38 IonicContact NH1-OE1 2.56Å; R32-E38 PolarHBondContact NH1-OE1 2.8Å; R32-E81 PolarHBondContact NE-O 3.47Å; R32-E81 PolarHBondContact NH2-O 2.96Å; R32-E81 IonicContact NH2-OE2 2.67Å; R32-A84 HydrophobicContact CG-CB 4.18Å
33	P	90.3	Very high	93.8	Very high	120 Å²	120	45.6 Å²	45.6	78%	0.779	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	126.6	173	-25.3	34.5	0	0	0	111.3	Q35	P33-Q35 PolarHBondContact O-N 2.79Å
34	G	90.8	Very high	94.1	Very high	93 Å²	93	43 Å²	43	96%	0.959	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.4	5.2	-179.5	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 3.06Å
35	Q	91.9	Very high	94.4	Very high	98 Å²	98	40.1 Å²	40.1	46%	0.458	23%	0.233	S	C	.	.	S	Bend	trans	-113.6	161.1	175.7	-58.2	-170.5	-5.2	0	0	111.6	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.03Å; R32-Q35 HydrophobicContact CB-CG 4.05Å; R32-Q35 PolarHBondContact O-N 2.81Å; P33-Q35 PolarHBondContact O-N 2.79Å
36	G	92.1	Very high	94.5	Very high	55 Å²	55	38.2 Å²	38.2	57%	0.567	23%	0.233	S	C	*	.			trans	-68.4	174.9	173.7	0	0	0	0	0	113.2
37	L	94.1	Very high	94.6	Very high	97 Å²	97	43.4 Å²	43.4	51%	0.508	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	127.7	173.5	-63.9	175.5	0	0	0	110.4	V29 Q31 Y87 W99	V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 3.97Å; V29-L37 HydrophobicContact CG1-CG 4.34Å; Q31-L37 HydrophobicContact CB-CD2 3.88Å; Q31-L37 HydrophobicContact CG-CD2 3.97Å; L37-Y87 HydrophobicContact CD2-CE2 4.49Å; L37-W99 HydrophobicContact CD1-CH2 3.84Å; L37-W99 HydrophobicContact CD1-CZ2 4.44Å; L37-W99 HydrophobicContact CD1-CZ3 4.36Å
38	E	95.8	Very high	94.6	Very high	35 Å²	35	44.3 Å²	44.3	16%	0.164	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	113.6	175.2	-63.8	-171.1	-124.7	0	0	109.7	V29 K30 R32 I40 K55 F56	V29-E38 CarbonylContact C-O 3.43Å; V29-E38 WeakPolarHBondContact CA-O 3.43Å; K30-E38 HydrophobicContact CB-CB 4.33Å; K30-E38 PolarHBondContact N-O 3.13Å; K30-E38 PolarHBondContact O-N 3.09Å; R32-E38 IonicContact CZ-OE1 3.77Å; R32-E38 IonicContact NH1-OE1 2.56Å; R32-E38 PolarHBondContact NH1-OE1 2.8Å; E38-I40 PolarHBondContact O-N 3.48Å; E38-K55 IonicContact OE1-NZ 3.39Å; E38-K55 IonicContact OE2-NZ 3.95Å; E38-K55 PolarHBondContact OE2-NZ 2.83Å; E38-F56 HydrophobicContact CB-CE2 4.34Å; E38-F56 HydrophobicContact CB-CZ 4.23Å
39	W	95.7	Very high	94.6	Very high	81 Å²	81	45.4 Å²	45.4	31%	0.307	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	125.3	174.8	-179.4	70.7	0	0	0	110.6	H27 G41 N42 N51 N53	H27-W39 AromaticContact CG-NE1 3.98Å; H27-W39 AromaticContact ND1-NE1 3.27Å; H27-W39 PolarHBondContact ND1-NE1 2.92Å; W39-G41 VanDerWaalsContact CE2-C 3.46Å; W39-G41 PolarHBondContact NE1-O 2.95Å; W39-N42 HydrophobicContact CZ2-CB 4.05Å; W39-N51 HydrophobicContact CH2-CB 4.08Å; W39-N53 HydrophobicContact CE3-CB 3.87Å; W39-N53 HydrophobicContact CZ3-CB 4.05Å; W39-N53 WeakPolarHBondContact O-CB 3.41Å; W39-N53 PolarHBondContact O-ND2 2.64Å
40	I	97.1	Very high	94.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-47.7	-178.9	-62.7	175	0	0	0	110.5	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.33Å; W28-I40 WeakPolarHBondContact O-CB 3.27Å; W28-I40 PolarHBondContact O-N 2.78Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.19Å; E38-I40 PolarHBondContact O-N 3.48Å; I40-N53 PolarHBondContact O-N 3.06Å; I40-F56 HydrophobicContact CB-CB 4.49Å; I40-F56 HydrophobicContact CB-CD2 4.37Å; I40-F56 HydrophobicContact CB-CG 4.28Å; I40-F56 HydrophobicContact CG1-CD1 4.16Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.22Å; I40-F56 HydrophobicContact CG1-CE2 4.3Å; I40-F56 HydrophobicContact CG1-CG 4.17Å; I40-F56 HydrophobicContact CG1-CZ 4.29Å; I40-F56 HydrophobicContact CG2-CB 3.75Å; I40-F56 HydrophobicContact CG2-CD1 4.37Å; I40-F56 HydrophobicContact CG2-CG 3.98Å; I40-A60 HydrophobicContact CG2-CB 3.77Å; I40-M73 HydrophobicContact CD1-CE 4.02Å; I40-M73 HydrophobicContact CD1-SD 3.55Å; I40-M73 VanDerWaalsContact CD1-SD 3.55Å; I40-M73 HydrophobicContact CG2-SD 4.01Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.84Å
41	G	96.5	Very high	94.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.2	178	-170.3	0	0	0	0	0	112.2	H27 W28 W39 N51	H27-G41 WeakPolarHBondContact CA-O 3.23Å; W28-G41 PolarHBondContact N-O 2.56Å; W39-G41 VanDerWaalsContact CE2-C 3.46Å; W39-G41 PolarHBondContact NE1-O 2.95Å; G41-N51 CarbonylContact C-O 3.54Å; G41-N51 WeakPolarHBondContact CA-O 3.04Å
42	N	95.8	Very high	94.7	Very high	17 Å²	17	50.8 Å²	50.8	9%	0.091	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	158.7	171.2	63.7	28.8	0	0	0	111.8	W25 M26 H27 W39 T50 N51 L62	W25-N42 HydrophobicContact CE3-CB 4.08Å; W25-N42 VanDerWaalsContact CE3-CG 3.41Å; W25-N42 WeakPolarHBondContact CZ3-OD1 3.22Å; M26-N42 CarbonylContact O-C 3.56Å; M26-N42 WeakPolarHBondContact O-CA 3.49Å; M26-N42 VanDerWaalsContact O-CB 3.31Å; M26-N42 WeakPolarHBondContact O-CB 3.33Å; H27-N42 HydrophobicContact CB-CB 4.33Å; H27-N42 PolarHBondContact CE1-ND2 3.08Å; H27-N42 VanDerWaalsContact CE1-ND2 3.3Å; W39-N42 HydrophobicContact CZ2-CB 4.05Å; N42-T50 CarbonylContact O-C 3.6Å; N42-T50 VanDerWaalsContact O-CA 3.26Å; N42-T50 WeakPolarHBondContact O-CA 3.17Å; N42-N51 PolarHBondContact N-O 3.48Å; N42-N51 PolarHBondContact O-N 3.08Å; N42-N51 VanDerWaalsContact OD1-CB 3.31Å; N42-N51 WeakPolarHBondContact OD1-CB 3.31Å; N42-N51 PolarHBondContact OD1-N 3.47Å; N42-N51 PolarHBondContact OD1-ND2 2.8Å; N42-L62 WeakPolarHBondContact O-CD1 3.26Å
43	I	96.2	Very high	94.9	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	135.4	175	-174.3	166.4	0	0	0	109.2	M26 P45 G49 T50 L62 V64 A71	M26-I43 HydrophobicContact CB-CG2 3.98Å; M26-I43 PolarHBondContact N-O 3.01Å; M26-I43 PolarHBondContact O-N 3.43Å; I43-P45 VanDerWaalsContact O-CD 3.27Å; I43-P45 WeakPolarHBondContact O-CD 2.9Å; I43-G49 CarbonylContact C-O 3.54Å; I43-G49 WeakPolarHBondContact CA-O 3.02Å; I43-T50 HydrophobicContact CB-CG2 3.97Å; I43-T50 HydrophobicContact CD1-CG2 3.9Å; I43-T50 HydrophobicContact CG1-CG2 3.76Å; I43-L62 HydrophobicContact CB-CB 4.15Å; I43-L62 HydrophobicContact CB-CD1 4.4Å; I43-L62 HydrophobicContact CD1-CB 4.28Å; I43-V64 HydrophobicContact CD1-CB 4.03Å; I43-V64 HydrophobicContact CD1-CG1 4.07Å; I43-A71 HydrophobicContact CG2-CB 4.43Å
44	N	94.6	Very high	95.1	Very high	20 Å²	20	52.1 Å²	52.1	11%	0.107	32%	0.315	C	S	.	.			trans	-84.1	110.8	170.1	-176.1	-19.5	0	0	0	109.1	W25 S46 N47 G48 G49	W25-N44 HydrophobicContact CD2-CB 3.76Å; W25-N44 HydrophobicContact CE3-CB 3.88Å; W25-N44 HydrophobicContact CG-CB 4.4Å; W25-N44 HydrophobicContact CH2-CB 3.99Å; W25-N44 HydrophobicContact CZ2-CB 3.84Å; W25-N44 HydrophobicContact CZ3-CB 3.99Å; N44-S46 VanDerWaalsContact CG-OG 3.26Å; N44-S46 PolarHBondContact ND2-OG 3.1Å; N44-S46 PolarHBondContact O-N 2.83Å; N44-S46 WeakPolarHBondContact OD1-CB 2.96Å; N44-S46 PolarHBondContact OD1-N 3.48Å; N44-S46 PolarHBondContact OD1-OG 2.9Å; N44-N47 WeakPolarHBondContact CB-OD1 2.97Å; N44-N47 PolarHBondContact ND2-OD1 3.22Å; N44-N47 PolarHBondContact O-N 3.45Å; N44-G48 VanDerWaalsContact O-CA 3.32Å; N44-G48 WeakPolarHBondContact O-CA 3.44Å; N44-G48 PolarHBondContact O-N 2.95Å; N44-G49 PolarHBondContact N-O 2.9Å
45	P	93.6	Very high	95.3	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-18.1	-177.1	-19.9	35.1	0	0	0	113.6	F21 Y24 M26 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.99Å; F21-P45 HydrophobicContact CD2-CB 4.25Å; F21-P45 HydrophobicContact CD2-CG 4.31Å; F21-P45 HydrophobicContact CE1-CB 3.71Å; F21-P45 HydrophobicContact CE2-CB 4.01Å; F21-P45 HydrophobicContact CE2-CG 3.99Å; F21-P45 HydrophobicContact CG-CB 4.28Å; F21-P45 HydrophobicContact CZ-CB 3.73Å; F21-P45 HydrophobicContact CZ-CG 4.13Å; F21-P45 WeakPolarHBondContact O-CB 3.3Å; F21-P45 WeakPolarHBondContact O-CG 3.16Å; Y24-P45 WeakPolarHBondContact O-CD 3.3Å; Y24-P45 WeakPolarHBondContact O-CG 3.42Å; M26-P45 HydrophobicContact CB-CG 4.47Å; I43-P45 VanDerWaalsContact O-CD 3.27Å; I43-P45 WeakPolarHBondContact O-CD 2.9Å; P45-V64 HydrophobicContact CB-CG2 4.05Å; P45-K66 WeakPolarHBondContact O-CE 3.21Å
46	S	93.4	Very high	95.4	Very high	50 Å²	50	48.4 Å²	48.4	35%	0.35	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-40.5	178.6	71.1	0	0	0	0	113.1	N44 K66	N44-S46 VanDerWaalsContact CG-OG 3.26Å; N44-S46 PolarHBondContact ND2-OG 3.1Å; N44-S46 PolarHBondContact O-N 2.83Å; N44-S46 WeakPolarHBondContact OD1-CB 2.96Å; N44-S46 PolarHBondContact OD1-N 3.48Å; N44-S46 PolarHBondContact OD1-OG 2.9Å; S46-K66 VanDerWaalsContact O-CE 3.26Å; S46-K66 WeakPolarHBondContact O-CE 3.47Å; S46-K66 PolarHBondContact O-NZ 2.99Å
47	N	94.3	Very high	95.5	Very high	110 Å²	110	51.1 Å²	51.1	59%	0.588	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.4	-4	-172.3	67.3	12.5	0	0	0	114.4	N44 G49	N44-N47 WeakPolarHBondContact CB-OD1 2.97Å; N44-N47 PolarHBondContact ND2-OD1 3.22Å; N44-N47 PolarHBondContact O-N 3.45Å; N47-G49 VanDerWaalsContact C-N 3.27Å; N47-G49 PolarHBondContact O-N 2.81Å; N47-G49 PolarHBondContact OD1-N 2.91Å
48	G	94.9	Very high	95.5	Very high	32 Å²	32	52 Å²	52	33%	0.33	28%	0.282	S	S	.	.			trans	77.5	6.2	179.7	0	0	0	0	0	114.7	N44	N44-G48 VanDerWaalsContact O-CA 3.32Å; N44-G48 WeakPolarHBondContact O-CA 3.44Å; N44-G48 PolarHBondContact O-N 2.95Å
49	G	96.8	Very high	95.5	Very high	28 Å²	28	52.3 Å²	52.3	29%	0.289	28%	0.282	S	S	.	.			trans	-60.8	136.9	175.7	0	0	0	0	0	111.2	I43 N44 N47	I43-G49 CarbonylContact C-O 3.54Å; I43-G49 WeakPolarHBondContact CA-O 3.02Å; N44-G49 PolarHBondContact N-O 2.9Å; N47-G49 VanDerWaalsContact C-N 3.27Å; N47-G49 PolarHBondContact O-N 2.81Å; N47-G49 PolarHBondContact OD1-N 2.91Å
50	T	97.4	Very high	95.5	Very high	54 Å²	54	48.6 Å²	48.6	33%	0.331	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.9	-176.4	51.5	0	0	0	0	111.5	N42 I43 Y52 L62	N42-T50 CarbonylContact O-C 3.6Å; N42-T50 VanDerWaalsContact O-CA 3.26Å; N42-T50 WeakPolarHBondContact O-CA 3.17Å; I43-T50 HydrophobicContact CB-CG2 3.97Å; I43-T50 HydrophobicContact CD1-CG2 3.9Å; I43-T50 HydrophobicContact CG1-CG2 3.76Å; T50-Y52 HydrophobicContact CG2-CE2 4.48Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.16Å; T50-L62 HydrophobicContact CG2-CB 3.95Å
51	N	96.9	Very high	95.6	Very high	78 Å²	78	51.6 Å²	51.6	42%	0.417	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148.9	164.9	-56.1	-67.4	0	0	0	109.2	W25 W39 G41 N42	W25-N51 WeakPolarHBondContact CH2-ND2 3.37Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.44Å; W39-N51 HydrophobicContact CH2-CB 4.08Å; G41-N51 CarbonylContact C-O 3.54Å; G41-N51 WeakPolarHBondContact CA-O 3.04Å; N42-N51 PolarHBondContact N-O 3.48Å; N42-N51 PolarHBondContact O-N 3.08Å; N42-N51 VanDerWaalsContact OD1-CB 3.31Å; N42-N51 WeakPolarHBondContact OD1-CB 3.31Å; N42-N51 PolarHBondContact OD1-N 3.47Å; N42-N51 PolarHBondContact OD1-ND2 2.8Å
52	Y	97.5	Very high	95.6	Very high	55 Å²	55	52.1 Å²	52.1	22%	0.216	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150	-178.7	-66.6	-89.4	0	0	0	110.5	T50 K57 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.48Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.16Å; Y52-K57 HydrophobicContact CG-CG 4.34Å; Y52-A60 HydrophobicContact CE1-CB 4.36Å; Y52-A60 VanDerWaalsContact CE1-O 3.29Å; Y52-A60 WeakPolarHBondContact CE1-O 3.49Å; Y52-L62 HydrophobicContact CE1-CD1 4.05Å; Y52-L62 HydrophobicContact CE1-CG 3.72Å; Y52-L62 PolarHBondContact OH-N 3.46Å
53	N	96.6	Very high	95.7	Very high	56 Å²	56	54 Å²	54	30%	0.299	30%	0.302	S	S	.	.			trans	-74	132.8	155.2	179.9	-24.9	0	0	0	108.3	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.87Å; W39-N53 HydrophobicContact CZ3-CB 4.05Å; W39-N53 WeakPolarHBondContact O-CB 3.41Å; W39-N53 PolarHBondContact O-ND2 2.64Å; I40-N53 PolarHBondContact O-N 3.06Å; N53-K55 PolarHBondContact O-N 3Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 2.74Å; N53-K55 VanDerWaalsContact OD1-N 3.1Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.94Å; N53-K57 PolarHBondContact O-N 3.45Å; N53-K57 VanDerWaalsContact O-N 3.17Å
54	E	95.8	Very high	95.8	Very high	132 Å²	132	55.8 Å²	55.8	62%	0.617	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-31.5	-176.8	-69.8	-60.6	147.9	0	0	112.7	F56 K57	E54-F56 PolarHBondContact O-N 3.47Å; E54-K57 PolarHBondContact O-N 3.41Å; E54-K57 IonicContact OE1-NZ 2.82Å; E54-K57 PolarHBondContact OE1-NZ 2.87Å; E54-K57 VanDerWaalsContact OE2-CD 3.23Å; E54-K57 WeakPolarHBondContact OE2-CD 3.47Å; E54-K57 IonicContact OE2-NZ 3.36Å; E54-K57 PolarHBondContact OE2-NZ 2.89Å
55	K	93.4	Very high	95.8	Very high	107 Å²	107	57.4 Å²	57.4	47%	0.465	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-30.5	175.4	-177.6	177.1	176.9	-175.1	0	113.7	E38 N53	E38-K55 IonicContact OE1-NZ 3.39Å; E38-K55 IonicContact OE2-NZ 3.95Å; E38-K55 PolarHBondContact OE2-NZ 2.83Å; N53-K55 PolarHBondContact O-N 3Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 2.74Å; N53-K55 VanDerWaalsContact OD1-N 3.1Å
56	F	95.1	Very high	95.7	Very high	7 Å²	7	62.9 Å²	62.9	3%	0.031	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-6.8	-172.9	-61.4	-84	0	0	0	113.6	K30 E38 I40 N53 E54 S58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.91Å; K30-F56 HydrophobicContact CD-CZ 4.1Å; E38-F56 HydrophobicContact CB-CE2 4.34Å; E38-F56 HydrophobicContact CB-CZ 4.23Å; I40-F56 HydrophobicContact CB-CB 4.49Å; I40-F56 HydrophobicContact CB-CD2 4.37Å; I40-F56 HydrophobicContact CB-CG 4.28Å; I40-F56 HydrophobicContact CG1-CD1 4.16Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.22Å; I40-F56 HydrophobicContact CG1-CE2 4.3Å; I40-F56 HydrophobicContact CG1-CG 4.17Å; I40-F56 HydrophobicContact CG1-CZ 4.29Å; I40-F56 HydrophobicContact CG2-CB 3.75Å; I40-F56 HydrophobicContact CG2-CD1 4.37Å; I40-F56 HydrophobicContact CG2-CG 3.98Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.94Å; E54-F56 PolarHBondContact O-N 3.47Å; F56-S58 VanDerWaalsContact C-N 3.28Å; F56-S58 PolarHBondContact O-N 3.36Å; F56-K59 PolarHBondContact O-N 3.32Å; F56-A60 HydrophobicContact CB-CB 4.44Å; F56-A60 PolarHBondContact O-N 2.75Å
57	K	94.1	Very high	95.6	Very high	111 Å²	111	65.8 Å²	65.8	48%	0.483	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-34	-173	-168.4	177.3	-171.5	174.2	0	114.2	Y52 N53 E54	Y52-K57 HydrophobicContact CG-CG 4.34Å; N53-K57 PolarHBondContact O-N 3.45Å; N53-K57 VanDerWaalsContact O-N 3.17Å; E54-K57 PolarHBondContact O-N 3.41Å; E54-K57 IonicContact OE1-NZ 2.82Å; E54-K57 PolarHBondContact OE1-NZ 2.87Å; E54-K57 VanDerWaalsContact OE2-CD 3.23Å; E54-K57 WeakPolarHBondContact OE2-CD 3.47Å; E54-K57 IonicContact OE2-NZ 3.36Å; E54-K57 PolarHBondContact OE2-NZ 2.89Å
58	S	94.3	Very high	95.6	Very high	116 Å²	116	62.2 Å²	62.2	81%	0.811	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-12.8	175.8	59	0	0	0	0	113.7	F56	F56-S58 VanDerWaalsContact C-N 3.28Å; F56-S58 PolarHBondContact O-N 3.36Å
59	K	94.9	Very high	95.6	Very high	42 Å²	42	63 Å²	63	18%	0.183	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-34.7	-168.6	-163.9	160.7	-166.6	173.7	0	113.7	F56 L75 N76 T79 D82	F56-K59 PolarHBondContact O-N 3.32Å; K59-L75 WeakPolarHBondContact O-CA 3.33Å; K59-N76 PolarHBondContact O-N 3.07Å; K59-T79 PolarHBondContact NZ-OG1 2.85Å; K59-D82 VanDerWaalsContact CE-CG 3.47Å; K59-D82 VanDerWaalsContact CE-OD1 3.3Å; K59-D82 WeakPolarHBondContact CE-OD1 3.29Å; K59-D82 WeakPolarHBondContact CE-OD2 3.47Å; K59-D82 IonicContact NZ-OD1 2.83Å; K59-D82 PolarHBondContact NZ-OD1 3.28Å; K59-D82 IonicContact NZ-OD2 3.58Å; K59-D82 PolarHBondContact NZ-OD2 2.9Å
60	A	97.1	Very high	95.5	Very high	3 Å²	3	62.1 Å²	62.1	3%	0.025	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.7	-177.1	0	0	0	0	0	111.3	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.77Å; Y52-A60 HydrophobicContact CE1-CB 4.36Å; Y52-A60 VanDerWaalsContact CE1-O 3.29Å; Y52-A60 WeakPolarHBondContact CE1-O 3.49Å; F56-A60 HydrophobicContact CB-CB 4.44Å; F56-A60 PolarHBondContact O-N 2.75Å; A60-M73 HydrophobicContact CB-CG 4.42Å; A60-Q74 CarbonylContact C-O 3.51Å; A60-Q74 WeakPolarHBondContact CA-O 3.49Å; A60-L75 HydrophobicContact CB-CD2 3.88Å
61	T	97.9	Very high	95.4	Very high	63 Å²	63	59.5 Å²	59.5	39%	0.387	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.6	168.2	-55.4	0	0	0	0	109.1	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.23Å; T61-M73 WeakPolarHBondContact O-CA 3.36Å; T61-Q74 PolarHBondContact N-O 2.81Å; T61-Q74 PolarHBondContact O-N 2.78Å
62	L	98	Very high	95.5	Very high	10 Å²	10	58.3 Å²	58.3	5%	0.052	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	131.8	177.3	-53.7	-175.7	0	0	0	110.4	W28 N42 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.48Å; W28-L62 HydrophobicContact CG-CD2 4.04Å; N42-L62 WeakPolarHBondContact O-CD1 3.26Å; I43-L62 HydrophobicContact CB-CB 4.15Å; I43-L62 HydrophobicContact CB-CD1 4.4Å; I43-L62 HydrophobicContact CD1-CB 4.28Å; T50-L62 HydrophobicContact CG2-CB 3.95Å; Y52-L62 HydrophobicContact CE1-CD1 4.05Å; Y52-L62 HydrophobicContact CE1-CG 3.72Å; Y52-L62 PolarHBondContact OH-N 3.46Å; L62-Y72 WeakPolarHBondContact CA-O 2.86Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.66Å; L62-M73 HydrophobicContact CD2-SD 4.32Å
63	T	97.7	Very high	95.5	Very high	57 Å²	57	55.7 Å²	55.7	35%	0.35	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	162.4	177.9	57.4	0	0	0	0	111.2	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.23Å; T63-Y72 PolarHBondContact N-O 2.82Å; T63-Y72 PolarHBondContact O-N 3.36Å
64	V	96.7	Very high	95.5	Very high	39 Å²	39	56.4 Å²	56.4	24%	0.236	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	136.6	177.9	59.8	0	0	0	0	110.5	F21 I43 P45 K66	F21-V64 HydrophobicContact CE1-CG2 3.33Å; F21-V64 HydrophobicContact CZ-CG2 3.49Å; F21-V64 VanDerWaalsContact CZ-CG2 3.49Å; I43-V64 HydrophobicContact CD1-CB 4.03Å; I43-V64 HydrophobicContact CD1-CG1 4.07Å; P45-V64 HydrophobicContact CB-CG2 4.05Å; V64-K66 HydrophobicContact CG2-CG 4.37Å
65	D	95.3	Very high	95.5	Very high	54 Å²	54	50.2 Å²	50.2	29%	0.289	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	106.9	164.6	176.2	9.5	0	0	0	109.1	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 WeakPolarHBondContact OD1-CB 3.34Å; D65-S67 PolarHBondContact OD1-N 3.27Å; D65-S67 PolarHBondContact OD1-OG 3.38Å; D65-S67 PolarHBondContact OD2-OG 3.3Å; D65-S68 PolarHBondContact OD1-N 3.02Å; D65-S68 VanDerWaalsContact OD2-CB 3.29Å; D65-S68 WeakPolarHBondContact OD2-CB 3.16Å; D65-S68 PolarHBondContact OD2-OG 2.9Å; D65-S69 WeakPolarHBondContact O-CA 3.43Å; D65-S69 PolarHBondContact O-N 2.84Å; D65-T70 PolarHBondContact N-O 2.9Å; D65-T70 PolarHBondContact O-N 3.17Å; D65-Y72 HydrophobicContact CB-CE2 3.87Å
66	K	91.8	Very high	95.6	Very high	117 Å²	117	47 Å²	47	51%	0.509	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-30	-179.9	-64.2	179.1	178.7	177.9	0	112.2	P45 S46 V64 S69	P45-K66 WeakPolarHBondContact O-CE 3.21Å; S46-K66 VanDerWaalsContact O-CE 3.26Å; S46-K66 WeakPolarHBondContact O-CE 3.47Å; S46-K66 PolarHBondContact O-NZ 2.99Å; V64-K66 HydrophobicContact CG2-CG 4.37Å; K66-S69 PolarHBondContact O-N 3.08Å
67	S	92.2	Very high	95.5	Very high	111 Å²	111	50.5 Å²	50.5	78%	0.776	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-40.1	-177.2	72.6	0	0	0	0	111.6	D65	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 WeakPolarHBondContact OD1-CB 3.34Å; D65-S67 PolarHBondContact OD1-N 3.27Å; D65-S67 PolarHBondContact OD1-OG 3.38Å; D65-S67 PolarHBondContact OD2-OG 3.3Å
68	S	94.1	Very high	95.4	Very high	35 Å²	35	45.7 Å²	45.7	25%	0.245	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-3.9	176.3	66.6	0	0	0	0	114	K15 D65 T70	K15-S68 WeakPolarHBondContact CE-O 3.3Å; D65-S68 PolarHBondContact OD1-N 3.02Å; D65-S68 VanDerWaalsContact OD2-CB 3.29Å; D65-S68 WeakPolarHBondContact OD2-CB 3.16Å; D65-S68 PolarHBondContact OD2-OG 2.9Å; S68-T70 VanDerWaalsContact C-N 3.31Å; S68-T70 PolarHBondContact O-N 2.88Å; S68-T70 PolarHBondContact O-OG1 3.22Å; S68-T70 WeakPolarHBondContact OG-CB 3.41Å; S68-T70 PolarHBondContact OG-OG1 3.49Å
69	S	93.4	Very high	95.3	Very high	47 Å²	47	43.3 Å²	43.3	33%	0.329	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	45.5	-171.6	-63.7	0	0	0	0	112.9	P16 F21 D65 K66	P16-S69 WeakPolarHBondContact CD-O 3.5Å; F21-S69 VanDerWaalsContact CD1-CA 3.41Å; F21-S69 VanDerWaalsContact CE1-C 3.48Å; D65-S69 WeakPolarHBondContact O-CA 3.43Å; D65-S69 PolarHBondContact O-N 2.84Å; K66-S69 PolarHBondContact O-N 3.08Å
70	T	95.6	Very high	95.1	Very high	10 Å²	10	46.7 Å²	46.7	6%	0.061	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.2	-174.5	-49.6	0	0	0	0	110.8	K15 F21 D65 S68 Y72	K15-T70 HydrophobicContact CB-CG2 4.43Å; F21-T70 VanDerWaalsContact CZ-C 3.46Å; D65-T70 PolarHBondContact N-O 2.9Å; D65-T70 PolarHBondContact O-N 3.17Å; S68-T70 VanDerWaalsContact C-N 3.31Å; S68-T70 PolarHBondContact O-N 2.88Å; S68-T70 PolarHBondContact O-OG1 3.22Å; S68-T70 WeakPolarHBondContact OG-CB 3.41Å; S68-T70 PolarHBondContact OG-OG1 3.49Å; T70-Y72 HydrophobicContact CG2-CD1 4.34Å; T70-Y72 HydrophobicContact CG2-CD2 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.75Å; T70-Y72 HydrophobicContact CG2-CE2 3.73Å
71	A	95.9	Very high	94.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	147.3	168.6	0	0	0	0	0	109.6	S13 C14 F21 M26 I43	S13-A71 CarbonylContact C-O 3.46Å; S13-A71 WeakPolarHBondContact CA-O 3.38Å; C14-A71 PolarHBondContact N-O 2.95Å; C14-A71 PolarHBondContact O-N 3.12Å; F21-A71 HydrophobicContact CE2-CB 4.17Å; F21-A71 HydrophobicContact CZ-CB 4.09Å; M26-A71 HydrophobicContact CB-CB 4.21Å; M26-A71 HydrophobicContact CG-CB 3.83Å; I43-A71 HydrophobicContact CG2-CB 4.43Å
72	Y	97.4	Very high	94.4	Very high	52 Å²	52	49.8 Å²	49.8	20%	0.204	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	146.2	178.5	-56.4	-91.8	0	0	0	111.5	K11 M12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.33Å; K11-Y72 VanDerWaalsContact CE-CD1 3.45Å; K11-Y72 VanDerWaalsContact CE-CG 3.45Å; K11-Y72 HydrophobicContact CG-CD1 4.22Å; M12-Y72 CarbonylContact O-C 3.53Å; M12-Y72 WeakPolarHBondContact O-CA 3.49Å; M12-Y72 WeakPolarHBondContact O-CB 3.34Å; S13-Y72 VanDerWaalsContact CB-CE1 3.43Å; L62-Y72 WeakPolarHBondContact CA-O 2.86Å; T63-Y72 PolarHBondContact N-O 2.82Å; T63-Y72 PolarHBondContact O-N 3.36Å; D65-Y72 HydrophobicContact CB-CE2 3.87Å; T70-Y72 HydrophobicContact CG2-CD1 4.34Å; T70-Y72 HydrophobicContact CG2-CD2 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.75Å; T70-Y72 HydrophobicContact CG2-CE2 3.73Å
73	M	97.7	Very high	94.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	125	165.2	177	179.7	72.5	0	0	108.4	M12 W28 I40 A60 T61 L62 L75 Y86	M12-M73 HydrophobicContact CG-CE 4.44Å; M12-M73 PolarHBondContact N-O 2.96Å; M12-M73 PolarHBondContact O-N 2.03Å; M12-M73 HydrophobicContact SD-CE 3.33Å; M12-M73 WeakPolarHBondContact SD-CE 3.1Å; W28-M73 HydrophobicContact CB-SD 3.86Å; W28-M73 HydrophobicContact CD2-CB 3.59Å; W28-M73 HydrophobicContact CD2-CE 4.45Å; W28-M73 HydrophobicContact CD2-CG 4.39Å; W28-M73 HydrophobicContact CD2-SD 4.05Å; W28-M73 HydrophobicContact CE3-CB 3.8Å; W28-M73 HydrophobicContact CE3-CE 3.84Å; W28-M73 HydrophobicContact CE3-SD 4.04Å; W28-M73 HydrophobicContact CG-CB 4.11Å; W28-M73 HydrophobicContact CG-SD 4Å; W28-M73 HydrophobicContact CH2-CB 4.03Å; W28-M73 HydrophobicContact CZ2-CB 3.85Å; W28-M73 HydrophobicContact CZ3-CB 4.01Å; W28-M73 HydrophobicContact CZ3-CE 4.32Å; I40-M73 HydrophobicContact CD1-CE 4.02Å; I40-M73 HydrophobicContact CD1-SD 3.55Å; I40-M73 VanDerWaalsContact CD1-SD 3.55Å; I40-M73 HydrophobicContact CG2-SD 4.01Å; A60-M73 HydrophobicContact CB-CG 4.42Å; T61-M73 WeakPolarHBondContact O-CA 3.36Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.66Å; L62-M73 HydrophobicContact CD2-SD 4.32Å; M73-L75 HydrophobicContact CE-CD1 4.03Å; M73-L75 HydrophobicContact CE-CD2 4.27Å; M73-L75 HydrophobicContact CE-CG 4.04Å; M73-L75 HydrophobicContact CG-CD2 4.39Å; M73-L75 HydrophobicContact CG-CG 4.48Å; M73-L75 HydrophobicContact SD-CD2 4.15Å; M73-L75 HydrophobicContact SD-CG 4.47Å; M73-Y86 HydrophobicContact CE-CD1 3.63Å; M73-Y86 HydrophobicContact CE-CE1 4.18Å; M73-Y86 HydrophobicContact CE-CG 4.22Å
74	Q	97.3	Very high	94.1	Very high	71 Å²	71	50 Å²	50	33%	0.332	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124	170.5	-179	172.3	-27.6	0	0	109.2	V10 A60 T61 N76	V10-Q74 CarbonylContact O-C 3.6Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.31Å; A60-Q74 CarbonylContact C-O 3.51Å; A60-Q74 WeakPolarHBondContact CA-O 3.49Å; T61-Q74 PolarHBondContact N-O 2.81Å; T61-Q74 PolarHBondContact O-N 2.78Å; Q74-N76 PolarHBondContact NE2-OD1 2.96Å
75	L	96.3	Very high	94.1	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130.5	170.5	-63.5	173.1	0	0	0	108.3	S9 V10 M12 K59 A60 M73 L78 Y86 L105	S9-L75 CarbonylContact C-O 3.5Å; S9-L75 WeakPolarHBondContact CA-O 3.12Å; S9-L75 WeakPolarHBondContact CB-O 3.08Å; V10-L75 HydrophobicContact CG1-CB 3.98Å; V10-L75 HydrophobicContact CG1-CD1 4.32Å; V10-L75 HydrophobicContact CG1-CG 4.5Å; V10-L75 PolarHBondContact N-O 2.84Å; V10-L75 PolarHBondContact O-N 2.89Å; M12-L75 HydrophobicContact SD-CD1 4.32Å; K59-L75 WeakPolarHBondContact O-CA 3.33Å; A60-L75 HydrophobicContact CB-CD2 3.88Å; M73-L75 HydrophobicContact CE-CD1 4.03Å; M73-L75 HydrophobicContact CE-CD2 4.27Å; M73-L75 HydrophobicContact CE-CG 4.04Å; M73-L75 HydrophobicContact CG-CD2 4.39Å; M73-L75 HydrophobicContact CG-CG 4.48Å; M73-L75 HydrophobicContact SD-CD2 4.15Å; M73-L75 HydrophobicContact SD-CG 4.47Å; L75-L78 HydrophobicContact CB-CD2 3.79Å; L75-L78 HydrophobicContact CD1-CD2 4.25Å; L75-Y86 HydrophobicContact CD1-CD1 4.35Å; L75-Y86 HydrophobicContact CD1-CE1 3.63Å; L75-Y86 HydrophobicContact CD1-CE2 4.27Å; L75-L105 HydrophobicContact CD1-CD2 4.09Å
76	N	94.3	Very high	94.2	Very high	40 Å²	40	47.6 Å²	47.6	21%	0.214	28%	0.279	C	S	.	.			trans	-107.4	151.9	-179.6	-61.4	-53.4	0	0	0	111.6	S9 K59 Q74 L78	S9-N76 WeakPolarHBondContact CB-OD1 3.32Å; S9-N76 WeakPolarHBondContact OG-CA 3.23Å; S9-N76 PolarHBondContact OG-OD1 2.77Å; K59-N76 PolarHBondContact O-N 3.07Å; Q74-N76 PolarHBondContact NE2-OD1 2.96Å; N76-L78 PolarHBondContact O-N 2.91Å
77	S	93.3	Very high	94.4	Very high	80 Å²	80	44.1 Å²	44.1	56%	0.559	26%	0.263	S	S	*	.	S	Bend	trans	52.1	57.8	173.8	-55.3	0	0	0	0	112.3	A8	A8-S77 PolarHBondContact O-N 2.92Å
78	L	92.9	Very high	94.4	Very high	11 Å²	11	39.6 Å²	39.6	6%	0.058	23%	0.231	C	C	.	.			trans	-60	140.4	-174.7	-69.8	172.3	0	0	0	112.3	V4 P6 G7 A8 V10 L75 N76 D82 L105	V4-L78 HydrophobicContact CB-CD1 3.9Å; V4-L78 HydrophobicContact CG1-CD1 4.34Å; V4-L78 HydrophobicContact CG2-CD1 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.31Å; G7-L78 PolarHBondContact N-O 2.86Å; A8-L78 WeakPolarHBondContact O-CB 3.38Å; A8-L78 VanDerWaalsContact O-CG 3.27Å; A8-L78 WeakPolarHBondContact O-CG 3.26Å; A8-L78 PolarHBondContact O-N 2.97Å; V10-L78 HydrophobicContact CB-CD1 4.09Å; V10-L78 HydrophobicContact CG1-CD1 3.9Å; V10-L78 HydrophobicContact CG1-CD2 4.3Å; L75-L78 HydrophobicContact CB-CD2 3.79Å; L75-L78 HydrophobicContact CD1-CD2 4.25Å; N76-L78 PolarHBondContact O-N 2.91Å; L78-D82 VanDerWaalsContact CA-OD2 3.3Å; L78-D82 WeakPolarHBondContact CA-OD2 3.31Å; L78-D82 HydrophobicContact CD2-CB 3.74Å; L78-L105 HydrophobicContact CD1-CD2 4.08Å; L78-L105 HydrophobicContact CD2-CD2 3.76Å
79	T	92.3	Very high	94.3	Very high	66 Å²	66	38 Å²	38	41%	0.405	22%	0.22	S	C	.	.			trans	-122.7	168.8	173.8	65.6	0	0	0	0	109.8	K59 E81 D82	K59-T79 PolarHBondContact NZ-OG1 2.85Å; T79-E81 PolarHBondContact O-N 3Å; T79-E81 VanDerWaalsContact O-N 3.12Å; T79-D82 PolarHBondContact N-OD2 3.49Å; T79-D82 WeakPolarHBondContact O-CB 3.44Å; T79-D82 PolarHBondContact O-N 2.94Å; T79-D82 PolarHBondContact OG1-OD2 3.05Å
80	S	89.3	Confident	93.9	Very high	112 Å²	112	36.7 Å²	36.7	78%	0.783	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-56.3	-28.5	175.6	51.4	0	0	0	0	112.8	D82 S83	S80-D82 PolarHBondContact O-N 3.02Å; S80-S83 PolarHBondContact O-N 2.83Å
81	E	89.2	Confident	92.8	Very high	124 Å²	124	38.5 Å²	38.5	58%	0.579	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-68	-14.1	176.5	-66.7	-170.3	-168	0	0	114.4	K30 R32 T79	K30-E81 PolarHBondContact NZ-O 2.85Å; R32-E81 PolarHBondContact NE-O 3.47Å; R32-E81 PolarHBondContact NH2-O 2.96Å; R32-E81 IonicContact NH2-OE2 2.67Å; T79-E81 PolarHBondContact O-N 3Å; T79-E81 VanDerWaalsContact O-N 3.12Å
82	D	92.6	Very high	91.2	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.037	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-85.5	-9.4	176.3	-58.3	-44.1	0	0	0	113.5	K30 K59 L78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.61Å; K59-D82 VanDerWaalsContact CE-CG 3.47Å; K59-D82 VanDerWaalsContact CE-OD1 3.3Å; K59-D82 WeakPolarHBondContact CE-OD1 3.29Å; K59-D82 WeakPolarHBondContact CE-OD2 3.47Å; K59-D82 IonicContact NZ-OD1 2.83Å; K59-D82 PolarHBondContact NZ-OD1 3.28Å; K59-D82 IonicContact NZ-OD2 3.58Å; K59-D82 PolarHBondContact NZ-OD2 2.9Å; L78-D82 VanDerWaalsContact CA-OD2 3.3Å; L78-D82 WeakPolarHBondContact CA-OD2 3.31Å; L78-D82 HydrophobicContact CD2-CB 3.74Å; T79-D82 PolarHBondContact N-OD2 3.49Å; T79-D82 WeakPolarHBondContact O-CB 3.44Å; T79-D82 PolarHBondContact O-N 2.94Å; T79-D82 PolarHBondContact OG1-OD2 3.05Å; S80-D82 PolarHBondContact O-N 3.02Å; D82-A84 PolarHBondContact O-N 2.84Å; D82-A84 VanDerWaalsContact O-N 3.13Å; D82-Y86 VanDerWaalsContact O-CE2 3.3Å; D82-Y86 WeakPolarHBondContact O-CE2 3.4Å; D82-Y86 PolarHBondContact O-OH 2.92Å
83	S	93.6	Very high	89.3	Confident	69 Å²	69	47.1 Å²	47.1	48%	0.483	26%	0.257	S	S	.	.			trans	-66.6	116.7	175.5	-171.4	0	0	0	0	110.1	S80 L105	S80-S83 PolarHBondContact O-N 2.83Å; S83-L105 CarbonylContact C-O 3.58Å; S83-L105 WeakPolarHBondContact CA-O 3.4Å; S83-L105 PolarHBondContact OG-O 2.97Å
84	A	95.2	Very high	87.2	Confident	4 Å²	4	56.6 Å²	56.6	3%	0.033	29%	0.294	C	S	.	.	S	Bend	trans	-171.4	169.2	-168.5	0	0	0	0	0	110.4	K30 Q31 R32 D82 Y86 L105	K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.6Å; Q31-A84 WeakPolarHBondContact O-CA 2.88Å; Q31-A84 VanDerWaalsContact O-CB 3.32Å; Q31-A84 WeakPolarHBondContact O-CB 3.45Å; R32-A84 HydrophobicContact CG-CB 4.18Å; D82-A84 PolarHBondContact O-N 2.84Å; D82-A84 VanDerWaalsContact O-N 3.13Å; A84-Y86 HydrophobicContact CB-CD2 4.38Å; A84-Y86 HydrophobicContact CB-CE2 3.81Å; A84-L105 PolarHBondContact N-O 2.93Å; A84-L105 VanDerWaalsContact N-O 3.08Å; A84-L105 PolarHBondContact O-N 2.63Å
85	V	96.6	Very high	85.3	Confident	36 Å²	36	60.7 Å²	60.7	22%	0.218	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	131.2	162	-170.6	0	0	0	0	108.4	K30 Q31 Y87 T103	K30-V85 CarbonylContact C-O 3.58Å; Q31-V85 PolarHBondContact N-O 2.82Å; Q31-V85 PolarHBondContact O-N 2.91Å; V85-Y87 HydrophobicContact CB-CE2 3.92Å; V85-Y87 HydrophobicContact CG1-CD1 4.46Å; V85-Y87 HydrophobicContact CG1-CD2 4.36Å; V85-Y87 HydrophobicContact CG1-CE1 3.77Å; V85-Y87 HydrophobicContact CG1-CE2 3.68Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.36Å; V85-T103 WeakPolarHBondContact CA-O 3.34Å
86	Y	96.7	Very high	83.7	Confident	5 Å²	5	63.7 Å²	63.7	2%	0.02	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132.3	176.9	-66.9	-92.8	0	0	0	109.9	M12 V29 K30 I40 M73 L75 D82 A84 G102 T103 L105	M12-Y86 VanDerWaalsContact CE-CB 3.42Å; M12-Y86 HydrophobicContact CE-CD2 3.89Å; M12-Y86 HydrophobicContact CE-CG 3.79Å; M12-Y86 HydrophobicContact SD-CD1 4.46Å; M12-Y86 HydrophobicContact SD-CD2 4.25Å; M12-Y86 HydrophobicContact SD-CG 3.99Å; V29-Y86 CarbonylContact O-C 3.56Å; V29-Y86 WeakPolarHBondContact O-CA 3.39Å; K30-Y86 HydrophobicContact CB-CD1 4.05Å; K30-Y86 HydrophobicContact CB-CE1 3.85Å; K30-Y86 HydrophobicContact CD-CE1 3.88Å; K30-Y86 WeakPolarHBondContact CE-OH 3.35Å; K30-Y86 HydrophobicContact CG-CD1 4.28Å; K30-Y86 HydrophobicContact CG-CE1 3.75Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.84Å; M73-Y86 HydrophobicContact CE-CD1 3.63Å; M73-Y86 HydrophobicContact CE-CE1 4.18Å; M73-Y86 HydrophobicContact CE-CG 4.22Å; L75-Y86 HydrophobicContact CD1-CD1 4.35Å; L75-Y86 HydrophobicContact CD1-CE1 3.63Å; L75-Y86 HydrophobicContact CD1-CE2 4.27Å; D82-Y86 VanDerWaalsContact O-CE2 3.3Å; D82-Y86 WeakPolarHBondContact O-CE2 3.4Å; D82-Y86 PolarHBondContact O-OH 2.92Å; A84-Y86 HydrophobicContact CB-CD2 4.38Å; A84-Y86 HydrophobicContact CB-CE2 3.81Å; Y86-G102 CarbonylContact O-C 3.55Å; Y86-G102 WeakPolarHBondContact O-CA 3.26Å; Y86-T103 PolarHBondContact N-O 2.95Å; Y86-T103 PolarHBondContact O-N 2.7Å; Y86-L105 HydrophobicContact CD2-CB 3.96Å; Y86-L105 HydrophobicContact CE2-CB 3.7Å; Y86-L105 HydrophobicContact CE2-CD2 3.84Å; Y86-L105 HydrophobicContact CE2-CG 4.46Å
87	Y	95.6	Very high	82.5	Confident	44 Å²	44	64 Å²	64	17%	0.173	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	144.8	-179.9	-54.5	-88.4	0	0	0	109.8	W28 V29 Q31 L37 V85 W99	W28-Y87 WeakPolarHBondContact CA-O 3.36Å; V29-Y87 PolarHBondContact N-O 3.18Å; V29-Y87 PolarHBondContact O-N 2.99Å; Q31-Y87 HydrophobicContact CB-CD2 4.44Å; Q31-Y87 HydrophobicContact CB-CE2 3.72Å; Q31-Y87 PolarHBondContact OE1-OH 3.41Å; L37-Y87 HydrophobicContact CD2-CE2 4.49Å; V85-Y87 HydrophobicContact CB-CE2 3.92Å; V85-Y87 HydrophobicContact CG1-CD1 4.46Å; V85-Y87 HydrophobicContact CG1-CD2 4.36Å; V85-Y87 HydrophobicContact CG1-CE1 3.77Å; V85-Y87 HydrophobicContact CG1-CE2 3.68Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.36Å; Y87-W99 HydrophobicContact CD1-CE3 4.48Å; Y87-W99 HydrophobicContact CD2-CZ3 4.5Å; Y87-W99 HydrophobicContact CG-CE3 4.07Å; Y87-W99 HydrophobicContact CG-CZ3 4.25Å
88	C	94.1	Very high	82	Confident	17 Å²	17	67 Å²	67	12%	0.115	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	145.6	155.5	61.8	0	0	0	0	109.4	C14 M26 H27 W28 G100	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 3.43Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.8Å; M26-C88 HydrophobicContact CG-CB 4.48Å; M26-C88 HydrophobicContact SD-CB 3.85Å; H27-C88 CarbonylContact O-C 3.54Å; H27-C88 WeakPolarHBondContact O-CA 3.41Å; W28-C88 HydrophobicContact CD2-CB 4.47Å; W28-C88 HydrophobicContact CE3-CB 4.27Å; W28-C88 HydrophobicContact CH2-CB 4.39Å; W28-C88 HydrophobicContact CZ3-CB 4.24Å; C88-G100 PolarHBondContact O-N 2.59Å
89	A	91.7	Very high	81.8	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	154.5	175.9	0	0	0	0	0	109.6	H27 F96 Y98 W99	H27-A89 PolarHBondContact N-O 3.45Å; H27-A89 PolarHBondContact O-N 2.61Å; A89-F96 HydrophobicContact CB-CD1 4.13Å; A89-Y98 VanDerWaalsContact CA-O 3.24Å; A89-Y98 WeakPolarHBondContact CA-O 3.29Å; A89-Y98 WeakPolarHBondContact CB-O 3.45Å; A89-W99 HydrophobicContact CB-CD2 3.71Å; A89-W99 HydrophobicContact CB-CE3 3.93Å; A89-W99 HydrophobicContact CB-CG 4.14Å; A89-W99 HydrophobicContact CB-CH2 4.32Å; A89-W99 HydrophobicContact CB-CZ2 4.13Å; A89-W99 HydrophobicContact CB-CZ3 4.23Å
90	F	84.7	Confident	81.7	Confident	20 Å²	20	69.7 Å²	69.7	9%	0.088	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.1	175	58.6	-85.4	0	0	0	110.5	Y19 M26 G92 Y98	Y19-F90 HydrophobicContact CD1-CD2 4.33Å; Y19-F90 AromaticContact CD1-CE2 3.49Å; Y19-F90 HydrophobicContact CD1-CE2 3.49Å; Y19-F90 VanDerWaalsContact CD1-CE2 3.49Å; Y19-F90 AromaticContact CD1-CZ 3.6Å; Y19-F90 HydrophobicContact CD1-CZ 3.6Å; Y19-F90 HydrophobicContact CD2-CE2 4.38Å; Y19-F90 HydrophobicContact CE1-CD1 4.02Å; Y19-F90 AromaticContact CE1-CD2 3.68Å; Y19-F90 HydrophobicContact CE1-CD2 3.68Å; Y19-F90 AromaticContact CE1-CE1 3.41Å; Y19-F90 HydrophobicContact CE1-CE1 3.41Å; Y19-F90 VanDerWaalsContact CE1-CE1 3.41Å; Y19-F90 AromaticContact CE1-CE2 3.02Å; Y19-F90 HydrophobicContact CE1-CE2 3.02Å; Y19-F90 HydrophobicContact CE1-CG 4.12Å; Y19-F90 AromaticContact CE1-CZ 2.86Å; Y19-F90 HydrophobicContact CE1-CZ 2.86Å; Y19-F90 AromaticContact CE2-CD2 3.82Å; Y19-F90 HydrophobicContact CE2-CD2 3.82Å; Y19-F90 AromaticContact CE2-CE2 3.96Å; Y19-F90 HydrophobicContact CE2-CE2 3.96Å; Y19-F90 HydrophobicContact CE2-CG 4.24Å; Y19-F90 HydrophobicContact CE2-CZ 4.48Å; Y19-F90 HydrophobicContact CG-CE2 4.15Å; Y19-F90 AromaticContact CZ-CD1 3.69Å; Y19-F90 AromaticContact CZ-CD2 3.32Å; Y19-F90 AromaticContact CZ-CE1 3.6Å; Y19-F90 AromaticContact CZ-CE2 3.23Å; Y19-F90 AromaticContact CZ-CG 3.54Å; Y19-F90 AromaticContact CZ-CZ 3.38Å; Y19-F90 WeakPolarHBondContact OH-CD1 2.97Å; Y19-F90 VanDerWaalsContact OH-CD2 3.3Å; Y19-F90 WeakPolarHBondContact OH-CD2 3.38Å; Y19-F90 WeakPolarHBondContact OH-CE1 3.32Å; Y19-F90 WeakPolarHBondContact OH-CG 3.27Å; Y19-F90 WeakPolarHBondContact OH-CZ 3.34Å; M26-F90 HydrophobicContact SD-CB 4.42Å; F90-G92 PolarHBondContact O-N 2.81Å; F90-Y98 AromaticContact CD2-CD2 3.95Å; F90-Y98 HydrophobicContact CD2-CD2 3.95Å; F90-Y98 HydrophobicContact CD2-CG 4.38Å; F90-Y98 HydrophobicContact CE1-CG 4.01Å; F90-Y98 VanDerWaalsContact CE2-CB 3.46Å; F90-Y98 HydrophobicContact CE2-CD1 4.46Å; F90-Y98 AromaticContact CE2-CD2 3.13Å; F90-Y98 HydrophobicContact CE2-CD2 3.13Å; F90-Y98 AromaticContact CE2-CE2 3.95Å; F90-Y98 HydrophobicContact CE2-CE2 3.95Å; F90-Y98 AromaticContact CE2-CG 3.45Å; F90-Y98 HydrophobicContact CE2-CG 3.45Å; F90-Y98 VanDerWaalsContact CE2-CG 3.45Å; F90-Y98 AromaticContact CZ-CD1 3.98Å; F90-Y98 HydrophobicContact CZ-CD1 3.98Å; F90-Y98 AromaticContact CZ-CD2 3.48Å; F90-Y98 HydrophobicContact CZ-CD2 3.48Å; F90-Y98 VanDerWaalsContact CZ-CD2 3.48Å; F90-Y98 HydrophobicContact CZ-CE2 4.4Å; F90-Y98 AromaticContact CZ-CG 3.21Å; F90-Y98 HydrophobicContact CZ-CG 3.21Å; F90-Y98 PolarHBondContact N-O 3.33Å
91	N	72.8	Confident	81.8	Confident	49 Å²	49	73.4 Å²	73.4	26%	0.262	36%	0.358	S	S	.	.			trans	-76.6	122	175.5	-80	-29.6	0	0	0	109.1	Y24 H27 F96	Y24-N91 WeakPolarHBondContact CB-O 3.33Å; Y24-N91 WeakPolarHBondContact CD1-O 3.48Å; Y24-N91 WeakPolarHBondContact CE1-O 3.24Å; H27-N91 PolarHBondContact NE2-ND2 3.34Å; N91-F96 WeakPolarHBondContact OD1-CA 3.42Å; N91-F96 PolarHBondContact OD1-N 3Å
92	G	62.6	Low	82	Confident	17 Å²	17	69 Å²	69	18%	0.175	35%	0.345	C	S	.	.			trans	-86.3	-157.2	158.6	0	0	0	0	0	110.2	F90 Y94	F90-G92 PolarHBondContact O-N 2.81Å; G92-Y94 PolarHBondContact O-N 3.45Å
93	Y	56	Low	82	Confident	216 Å²	216	71.6 Å²	71.6	85%	0.847	36%	0.362	S	S	*	.	S	Bend	trans	-61.1	-11.3	172.6	-79.5	-90.7	0	0	0	114.4
94	Y	53.7	Low	82	Confident	199 Å²	199	71.5 Å²	71.5	78%	0.78	36%	0.358	S	S	*	.	S	Bend	trans	-125	151.2	171.6	-61.6	-83.3	0	0	0	109.8	G92 F96 G97	G92-Y94 PolarHBondContact O-N 3.45Å; Y94-F96 PolarHBondContact O-N 2.94Å; Y94-G97 PolarHBondContact O-N 2.96Å
95	L	57.9	Low	81.8	Confident	156 Å²	156	72.5 Å²	72.5	82%	0.817	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.9	125.8	176.7	-96.9	126.6	0	0	0	112.1	G97	L95-G97 PolarHBondContact O-N 3.07Å
96	F	61.8	Low	81	Confident	65 Å²	65	74.4 Å²	74.4	29%	0.285	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	33.8	49.8	176.1	-62	-71.9	0	0	0	114.9	H27 A89 N91 Y94 Y98 W99	H27-F96 HydrophobicContact CB-CE1 3.84Å; H27-F96 AromaticContact CD2-CE1 3.64Å; H27-F96 AromaticContact CE1-CE1 3.58Å; H27-F96 AromaticContact CE1-CZ 3.76Å; H27-F96 AromaticContact CG-CE1 3.42Å; H27-F96 VanDerWaalsContact CG-CE1 3.42Å; H27-F96 AromaticContact ND1-CE1 3.39Å; H27-F96 WeakPolarHBondContact ND1-CE1 3.44Å; H27-F96 AromaticContact ND1-CZ 3.68Å; H27-F96 AromaticContact NE2-CE1 3.77Å; A89-F96 HydrophobicContact CB-CD1 4.13Å; N91-F96 WeakPolarHBondContact OD1-CA 3.42Å; N91-F96 PolarHBondContact OD1-N 3Å; Y94-F96 PolarHBondContact O-N 2.94Å; F96-Y98 PolarHBondContact O-N 3.23Å; F96-Y98 VanDerWaalsContact O-N 3.09Å; F96-W99 HydrophobicContact CB-CZ2 4.19Å; F96-W99 HydrophobicContact CG-CZ2 4.47Å; F96-W99 PolarHBondContact O-NE1 3.49Å
97	G	70.4	Confident	80.2	Confident	46 Å²	46	78 Å²	78	47%	0.474	39%	0.389	S	S	.	.			trans	-63.7	-16.6	-171.8	0	0	0	0	0	115.4	Y94 L95	Y94-G97 PolarHBondContact O-N 2.96Å; L95-G97 PolarHBondContact O-N 3.07Å
98	Y	82.2	Confident	79.3	Confident	143 Å²	143	79.9 Å²	79.9	56%	0.561	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.1	135.2	-176.3	-62.2	-86.2	0	0	0	112.6	A89 F90 F96	A89-Y98 VanDerWaalsContact CA-O 3.24Å; A89-Y98 WeakPolarHBondContact CA-O 3.29Å; A89-Y98 WeakPolarHBondContact CB-O 3.45Å; F90-Y98 AromaticContact CD2-CD2 3.95Å; F90-Y98 HydrophobicContact CD2-CD2 3.95Å; F90-Y98 HydrophobicContact CD2-CG 4.38Å; F90-Y98 HydrophobicContact CE1-CG 4.01Å; F90-Y98 VanDerWaalsContact CE2-CB 3.46Å; F90-Y98 HydrophobicContact CE2-CD1 4.46Å; F90-Y98 AromaticContact CE2-CD2 3.13Å; F90-Y98 HydrophobicContact CE2-CD2 3.13Å; F90-Y98 AromaticContact CE2-CE2 3.95Å; F90-Y98 HydrophobicContact CE2-CE2 3.95Å; F90-Y98 AromaticContact CE2-CG 3.45Å; F90-Y98 HydrophobicContact CE2-CG 3.45Å; F90-Y98 VanDerWaalsContact CE2-CG 3.45Å; F90-Y98 AromaticContact CZ-CD1 3.98Å; F90-Y98 HydrophobicContact CZ-CD1 3.98Å; F90-Y98 AromaticContact CZ-CD2 3.48Å; F90-Y98 HydrophobicContact CZ-CD2 3.48Å; F90-Y98 VanDerWaalsContact CZ-CD2 3.48Å; F90-Y98 HydrophobicContact CZ-CE2 4.4Å; F90-Y98 AromaticContact CZ-CG 3.21Å; F90-Y98 HydrophobicContact CZ-CG 3.21Å; F90-Y98 PolarHBondContact N-O 3.33Å; F96-Y98 PolarHBondContact O-N 3.23Å; F96-Y98 VanDerWaalsContact O-N 3.09Å
99	W	89.4	Confident	78.5	Confident	107 Å²	107	83.6 Å²	83.6	41%	0.405	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	140.2	-178.5	-69.8	72.4	0	0	0	109.9	V29 L37 Y87 A89 F96	V29-W99 HydrophobicContact CB-CH2 4.19Å; V29-W99 HydrophobicContact CB-CZ3 3.89Å; V29-W99 HydrophobicContact CG1-CH2 4.12Å; V29-W99 HydrophobicContact CG1-CZ3 4.05Å; V29-W99 HydrophobicContact CG2-CH2 3.81Å; V29-W99 HydrophobicContact CG2-CZ3 3.9Å; L37-W99 HydrophobicContact CD1-CH2 3.84Å; L37-W99 HydrophobicContact CD1-CZ2 4.44Å; L37-W99 HydrophobicContact CD1-CZ3 4.36Å; Y87-W99 HydrophobicContact CD1-CE3 4.48Å; Y87-W99 HydrophobicContact CD2-CZ3 4.5Å; Y87-W99 HydrophobicContact CG-CE3 4.07Å; Y87-W99 HydrophobicContact CG-CZ3 4.25Å; A89-W99 HydrophobicContact CB-CD2 3.71Å; A89-W99 HydrophobicContact CB-CE3 3.93Å; A89-W99 HydrophobicContact CB-CG 4.14Å; A89-W99 HydrophobicContact CB-CH2 4.32Å; A89-W99 HydrophobicContact CB-CZ2 4.13Å; A89-W99 HydrophobicContact CB-CZ3 4.23Å; F96-W99 HydrophobicContact CB-CZ2 4.19Å; F96-W99 HydrophobicContact CG-CZ2 4.47Å; F96-W99 PolarHBondContact O-NE1 3.49Å
100	G	90.2	Very high	77.6	Confident	27 Å²	27	88.8 Å²	88.8	28%	0.278	44%	0.444	S	S	.	.			trans	-67.2	161.2	164.9	0	0	0	0	0	110.9	C88 G102	C88-G100 PolarHBondContact O-N 2.59Å; G100-G102 PolarHBondContact O-N 3.36Å
101	Q	91.2	Very high	77.2	Confident	191 Å²	191	93.4 Å²	93.4	89%	0.893	47%	0.468	S	S	*	.			trans	-60.1	-14.6	178.3	-66.5	-66	-31.7	0	0	113.8
102	G	92.8	Very high	77.5	Confident	30 Å²	30	96.6 Å²	96.6	31%	0.309	48%	0.482	S	S	.	.			trans	79.5	159.1	-173.1	0	0	0	0	0	111.9	Y86 G100	Y86-G102 CarbonylContact O-C 3.55Å; Y86-G102 WeakPolarHBondContact O-CA 3.26Å; G100-G102 PolarHBondContact O-N 3.36Å
103	T	93.8	Very high	78.6	Confident	62 Å²	62	102.7 Å²	102.7	38%	0.38	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	138.3	170.4	-173.5	0	0	0	0	109.9	M12 V85 Y86	M12-T103 HydrophobicContact CE-CG2 2.99Å; V85-T103 WeakPolarHBondContact CA-O 3.34Å; Y86-T103 PolarHBondContact N-O 2.95Å; Y86-T103 PolarHBondContact O-N 2.7Å
104	T	93.6	Very high	80.5	Confident	67 Å²	67	93.3 Å²	93.3	41%	0.411	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.6	179.5	-48.3	0	0	0	0	110	A1 E2	A1-T104 CarbonylContact C-O 3.6Å; A1-T104 VanDerWaalsContact CA-O 3.23Å; A1-T104 WeakPolarHBondContact CA-O 3.2Å; E2-T104 PolarHBondContact N-O 3.48Å
105	L	89.1	Confident	82.9	Confident	26 Å²	26	83.6 Å²	83.6	14%	0.136	45%	0.45	C	S	.	.			trans	-108.9	0	167.8	-165.4	70.2	0	0	0	110	E2 V4 V10 L75 L78 S83 A84 Y86	E2-L105 HydrophobicContact CB-CD1 4.17Å; V4-L105 HydrophobicContact CG2-CD1 3.34Å; V4-L105 HydrophobicContact CG2-CG 4.03Å; V10-L105 HydrophobicContact CB-CD1 4.13Å; V10-L105 HydrophobicContact CG1-CD1 3.88Å; V10-L105 HydrophobicContact CG1-CD2 3.71Å; V10-L105 HydrophobicContact CG1-CG 4.47Å; V10-L105 HydrophobicContact CG2-CD1 3.92Å; L75-L105 HydrophobicContact CD1-CD2 4.09Å; L78-L105 HydrophobicContact CD1-CD2 4.08Å; L78-L105 HydrophobicContact CD2-CD2 3.76Å; S83-L105 CarbonylContact C-O 3.58Å; S83-L105 WeakPolarHBondContact CA-O 3.4Å; S83-L105 PolarHBondContact OG-O 2.97Å; A84-L105 PolarHBondContact N-O 2.93Å; A84-L105 VanDerWaalsContact N-O 3.08Å; A84-L105 PolarHBondContact O-N 2.63Å; Y86-L105 HydrophobicContact CD2-CB 3.96Å; Y86-L105 HydrophobicContact CE2-CB 3.7Å; Y86-L105 HydrophobicContact CE2-CD2 3.84Å; Y86-L105 HydrophobicContact CE2-CG 4.46Å

Retrieved 105 of 105 residues in 56.4 ms (Link to these results)

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