X5J5D0_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5D0, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 115 aa.

						>X5J5D0_MOUSE|X5J5D0
AEPVKPGASVKLSCKASGYTFTSYRMHWVKQRPGQGLEWIGMIHPNSGSTNYNEKFKSKATLTVDKSSSTAYMQLSSLTSEDSAVYYCARSYITTVVAHWYFDVWGTGTTVTVSS
					

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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	63.1	Low	89	Confident	122 Å²	122	84.8 Å²	84.8	100%	1.008	51%	0.508	S	S	*	.				0	139.2	0	0	0	0	0	0	107.5
2	E	74.8	Confident	89.6	Confident	173 Å²	173	79 Å²	79	81%	0.808	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-68.4	138.1	174.1	-167.3	176	170.1	0	0	109.4
3	P	85.2	Confident	90.1	Very high	69 Å²	69	78.7 Å²	78.7	45%	0.448	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-64.3	139.9	177.7	25.2	-32.4	0	0	0	111.1	T112	P3-T112 WeakPolarHBondContact CA-O 3.44Å; P3-T112 HydrophobicContact CB-CG2 4.45Å
4	V	92.1	Very high	90.4	Very high	32 Å²	32	73.5 Å²	73.5	19%	0.194	45%	0.446	C	S	.	.	B	Isolated β-bridge	trans	-90.4	142.4	180	-174.5	0	0	0	0	109	A8 V10 L78 T112 V113 S114	V4-A8 HydrophobicContact CG1-CB 3.66Å; V4-V10 HydrophobicContact CG1-CG1 4.01Å; V4-V10 HydrophobicContact CG2-CG1 3.84Å; V4-L78 HydrophobicContact CB-CD1 4.36Å; V4-L78 HydrophobicContact CG1-CD1 3.77Å; V4-T112 PolarHBondContact N-O 2.77Å; V4-V113 VanDerWaalsContact O-CA 3.3Å; V4-V113 WeakPolarHBondContact O-CA 3.3Å; V4-S114 PolarHBondContact O-N 2.63Å; V4-S114 VanDerWaalsContact O-N 3.15Å
5	K	92.5	Very high	90.6	Very high	162 Å²	162	78.2 Å²	78.2	70%	0.704	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-72.5	147.4	176.6	-65	-178.3	-179.2	179.6	0	111.3	A8	K5-A8 WeakPolarHBondContact O-CB 3.28Å; K5-A8 PolarHBondContact O-N 3.02Å
6	P	94.4	Very high	90.6	Very high	69 Å²	69	73.9 Å²	73.9	45%	0.448	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	144.8	171.3	-21.8	35.2	0	0	0	110.8	A8 L78 V113 S114	P6-A8 PolarHBondContact O-N 3.27Å; P6-L78 CarbonylContact C-O 3.51Å; P6-L78 WeakPolarHBondContact CA-O 3.44Å; P6-V113 HydrophobicContact CB-CG1 4.46Å; P6-V113 HydrophobicContact CG-CG1 4.21Å; P6-S114 WeakPolarHBondContact CD-O 3.42Å; P6-S114 WeakPolarHBondContact CG-O 2.88Å
7	G	93.8	Very high	90.5	Very high	50 Å²	50	75 Å²	75	52%	0.515	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	-14.1	-176.3	0	0	0	0	0	114.9	L78	G7-L78 PolarHBondContact N-O 3.22Å
8	A	94.9	Very high	90.3	Very high	36 Å²	36	75.4 Å²	75.4	30%	0.298	47%	0.469	S	S	.	.			trans	-70.1	169.5	176.7	0	0	0	0	0	112	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CG1-CB 3.66Å; K5-A8 WeakPolarHBondContact O-CB 3.28Å; K5-A8 PolarHBondContact O-N 3.02Å; P6-A8 PolarHBondContact O-N 3.27Å; A8-S77 PolarHBondContact O-N 2.89Å; A8-L78 WeakPolarHBondContact O-CB 3.38Å; A8-L78 WeakPolarHBondContact O-CG 3.43Å; A8-L78 PolarHBondContact O-N 2.82Å
9	S	95.9	Very high	90	Very high	63 Å²	63	73.5 Å²	73.5	44%	0.441	45%	0.453	S	S	.	.			trans	-117.1	147.6	173.9	-58.4	0	0	0	0	110.6	L75 S76	S9-L75 CarbonylContact C-O 3.51Å; S9-L75 WeakPolarHBondContact CA-O 3.19Å; S9-L75 WeakPolarHBondContact CB-O 3.27Å; S9-S76 WeakPolarHBondContact OG-CA 3.34Å
10	V	95.8	Very high	90	Very high	27 Å²	27	74.2 Å²	74.2	16%	0.164	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.1	173.5	-63.9	0	0	0	0	110.3	V4 Q74 L75 L78 V111	V4-V10 HydrophobicContact CG1-CG1 4.01Å; V4-V10 HydrophobicContact CG2-CG1 3.84Å; V10-Q74 CarbonylContact O-C 3.58Å; V10-Q74 VanDerWaalsContact O-CA 3.27Å; V10-Q74 WeakPolarHBondContact O-CA 3.49Å; V10-L75 HydrophobicContact CG2-CB 3.97Å; V10-L75 HydrophobicContact CG2-CD1 4.25Å; V10-L75 PolarHBondContact N-O 2.87Å; V10-L75 PolarHBondContact O-N 2.8Å; V10-L78 HydrophobicContact CB-CD1 4.28Å; V10-L78 HydrophobicContact CG1-CD1 3.6Å; V10-L78 HydrophobicContact CG2-CD1 3.89Å; V10-V111 HydrophobicContact CG2-CG1 4.45Å; V10-V111 HydrophobicContact CG2-CG2 4.48Å
11	K	97	Very high	90.1	Very high	130 Å²	130	71 Å²	71	57%	0.565	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	116.3	173.7	-172.5	176.7	179.8	-179.9	0	109.3	Y72 M73	K11-Y72 HydrophobicContact CD-CD1 4.37Å; K11-Y72 VanDerWaalsContact CE-CD1 3.42Å; K11-Y72 HydrophobicContact CG-CD1 4.32Å; K11-M73 WeakPolarHBondContact CA-O 3.45Å
12	L	96.1	Very high	91.5	Very high	15 Å²	15	67.5 Å²	67.5	8%	0.079	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	146.4	175.5	-59	176.8	0	0	0	109.4	W28 Y72 M73 Y86 T109 V111	L12-W28 HydrophobicContact CB-CH2 3.91Å; L12-W28 HydrophobicContact CB-CZ3 3.8Å; L12-W28 HydrophobicContact CD1-CZ3 4.43Å; L12-Y72 CarbonylContact O-C 3.57Å; L12-Y72 WeakPolarHBondContact O-CA 3.27Å; L12-M73 HydrophobicContact CD1-CE 3.67Å; L12-M73 PolarHBondContact N-O 2.82Å; L12-M73 PolarHBondContact O-N 3.2Å; L12-Y86 HydrophobicContact CD1-CD1 4.33Å; L12-Y86 HydrophobicContact CD1-CD2 4.21Å; L12-Y86 HydrophobicContact CD1-CG 3.78Å; L12-T109 HydrophobicContact CD2-CG2 3.71Å; L12-V111 HydrophobicContact CD1-CG2 4.38Å; L12-V111 HydrophobicContact CD2-CG2 4.07Å
13	S	95.8	Very high	92.2	Very high	75 Å²	75	61.2 Å²	61.2	52%	0.524	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	149.6	179.2	63	0	0	0	0	111.3	A71 Y72	S13-A71 CarbonylContact C-O 3.46Å; S13-A71 WeakPolarHBondContact CA-O 3.46Å; S13-Y72 VanDerWaalsContact CB-CD1 3.49Å; S13-Y72 VanDerWaalsContact CB-CE1 3.43Å
14	C	94.6	Very high	92.4	Very high	6 Å²	6	59.7 Å²	59.7	4%	0.041	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	106	175.9	-178.9	0	0	0	0	108.6	M26 W28 T70 A71 C88	C14-M26 VanDerWaalsContact SG-CE 3.57Å; C14-W28 HydrophobicContact CB-CH2 3.93Å; C14-W28 HydrophobicContact CB-CZ2 4.08Å; C14-T70 WeakPolarHBondContact O-CA 2.99Å; C14-A71 PolarHBondContact N-O 2.8Å; C14-A71 PolarHBondContact O-N 3.01Å; C14-C88 HydrophobicContact CB-CB 3.52Å; C14-C88 WeakPolarHBondContact CB-SG 3.49Å; C14-C88 WeakPolarHBondContact SG-CB 3.24Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.8Å
15	K	93.9	Very high	92.4	Very high	144 Å²	144	63 Å²	63	63%	0.626	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	115.3	-171.7	177.5	177.8	-179.7	-179.4	0	111.5	T70 W105	K15-T70 HydrophobicContact CB-CG2 4.22Å; K15-W105 WeakPolarHBondContact O-CH2 3.29Å; K15-W105 WeakPolarHBondContact O-CZ3 3.3Å
16	A	90.6	Very high	92.4	Very high	10 Å²	10	55.3 Å²	55.3	8%	0.083	34%	0.339	C	S	.	.			trans	-59.4	144.8	177.4	0	0	0	0	0	113.6	Y19 F21 S69 W105	A16-Y19 HydrophobicContact CB-CE1 3.86Å; A16-Y19 HydrophobicContact CB-CE2 4.04Å; A16-Y19 WeakPolarHBondContact CB-OH 3.12Å; A16-F21 HydrophobicContact CB-CB 3.76Å; A16-F21 HydrophobicContact CB-CD2 3.42Å; A16-F21 VanDerWaalsContact CB-CD2 3.42Å; A16-F21 HydrophobicContact CB-CE2 4.17Å; A16-F21 HydrophobicContact CB-CG 3.81Å; A16-S69 VanDerWaalsContact CB-O 3.26Å; A16-S69 WeakPolarHBondContact CB-O 2.95Å; A16-S69 PolarHBondContact N-O 3.25Å; A16-W105 HydrophobicContact CB-CH2 4.4Å; A16-W105 HydrophobicContact CB-CZ3 4.31Å
17	S	88.2	Confident	92.5	Very high	92 Å²	92	52.7 Å²	52.7	64%	0.643	32%	0.32	S	S	*	.			trans	-155.2	132.5	179.1	-176.2	0	0	0	0	109.7	Y19 W105	S17-Y19 WeakPolarHBondContact O-CD1 3.11Å; S17-W105 VanDerWaalsContact O-CZ2 3.28Å; S17-W105 WeakPolarHBondContact O-CZ2 3.38Å
18	G	87.2	Confident	92.6	Very high	83 Å²	83	50.6 Å²	50.6	86%	0.856	30%	0.297	S	S	*	.	S	Bend	trans	78.1	16.2	176.7	0	0	0	0	0	115.7
19	Y	84.4	Confident	92.6	Very high	39 Å²	39	49.8 Å²	49.8	15%	0.153	29%	0.289	C	S	.	.	S	Bend	trans	-158.2	164.3	174.1	64.2	-81.5	0	0	0	112.4	A16 S17 F21 Y24 R90 W105	A16-Y19 HydrophobicContact CB-CE1 3.86Å; A16-Y19 HydrophobicContact CB-CE2 4.04Å; A16-Y19 WeakPolarHBondContact CB-OH 3.12Å; S17-Y19 WeakPolarHBondContact O-CD1 3.11Å; Y19-F21 HydrophobicContact CE2-CD2 4.36Å; Y19-F21 PolarHBondContact O-N 3.22Å; Y19-Y24 AromaticContact CD2-CD2 3.39Å; Y19-Y24 HydrophobicContact CD2-CD2 3.39Å; Y19-Y24 AromaticContact CD2-CE2 3.45Å; Y19-Y24 HydrophobicContact CD2-CE2 3.45Å; Y19-Y24 VanDerWaalsContact CD2-CE2 3.45Å; Y19-Y24 HydrophobicContact CD2-CG 4.17Å; Y19-Y24 AromaticContact CE2-CD2 3.74Å; Y19-Y24 HydrophobicContact CE2-CD2 3.74Å; Y19-Y24 HydrophobicContact CE2-CE2 4.22Å; Y19-Y24 HydrophobicContact CE2-CG 4.12Å; Y19-Y24 HydrophobicContact CG-CD2 4.46Å; Y19-Y24 HydrophobicContact CG-CE2 4.13Å; Y19-R90 VanDerWaalsContact CG-NH1 3.28Å; Y19-W105 HydrophobicContact CD1-CZ2 4.24Å; Y19-W105 AromaticContact CE1-CD2 3.87Å; Y19-W105 HydrophobicContact CE1-CD2 3.87Å; Y19-W105 AromaticContact CE1-CE2 3.46Å; Y19-W105 VanDerWaalsContact CE1-CE2 3.46Å; Y19-W105 HydrophobicContact CE1-CE3 4.13Å; Y19-W105 AromaticContact CE1-CH2 3.86Å; Y19-W105 HydrophobicContact CE1-CH2 3.86Å; Y19-W105 AromaticContact CE1-CZ2 3.46Å; Y19-W105 HydrophobicContact CE1-CZ2 3.46Å; Y19-W105 VanDerWaalsContact CE1-CZ2 3.46Å; Y19-W105 HydrophobicContact CE1-CZ3 4.14Å; Y19-W105 AromaticContact CE1-NE1 3.98Å; Y19-W105 VanDerWaalsContact OH-CE3 3.29Å
20	T	90.8	Very high	92.6	Very high	87 Å²	87	46.9 Å²	46.9	53%	0.534	27%	0.268	S	S	.	.			trans	-72.2	96.7	173.5	-52.1	0	0	0	0	110.3	T22 S23 Y24	T20-T22 WeakPolarHBondContact CG2-OG1 3.49Å; T20-T22 PolarHBondContact O-N 3.09Å; T20-T22 VanDerWaalsContact O-N 3.11Å; T20-S23 WeakPolarHBondContact CG2-OG 3.36Å; T20-S23 WeakPolarHBondContact O-CB 3.39Å; T20-S23 PolarHBondContact O-N 2.67Å; T20-Y24 WeakPolarHBondContact O-CD2 3.36Å
21	F	91.6	Very high	92.5	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.026	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-51.2	-37.2	-175.6	178.2	-126.3	0	0	0	114.4	A16 Y19 S23 Y24 M26 P45 V64 S69 A71	A16-F21 HydrophobicContact CB-CB 3.76Å; A16-F21 HydrophobicContact CB-CD2 3.42Å; A16-F21 VanDerWaalsContact CB-CD2 3.42Å; A16-F21 HydrophobicContact CB-CE2 4.17Å; A16-F21 HydrophobicContact CB-CG 3.81Å; Y19-F21 HydrophobicContact CE2-CD2 4.36Å; Y19-F21 PolarHBondContact O-N 3.22Å; F21-S23 PolarHBondContact O-N 3.29Å; F21-Y24 PolarHBondContact O-N 2.9Å; F21-M26 HydrophobicContact CD2-CG 4.38Å; F21-M26 HydrophobicContact CD2-SD 4.22Å; F21-M26 HydrophobicContact CE2-CE 4.46Å; F21-M26 HydrophobicContact CE2-CG 3.54Å; F21-M26 HydrophobicContact CE2-SD 3.78Å; F21-M26 HydrophobicContact CZ-CG 4.17Å; F21-P45 HydrophobicContact CD1-CB 3.78Å; F21-P45 HydrophobicContact CD1-CG 4.24Å; F21-P45 HydrophobicContact CD2-CG 4.16Å; F21-P45 HydrophobicContact CE1-CB 3.47Å; F21-P45 VanDerWaalsContact CE1-CB 3.47Å; F21-P45 HydrophobicContact CE1-CG 3.85Å; F21-P45 HydrophobicContact CE2-CB 4.33Å; F21-P45 HydrophobicContact CE2-CG 3.78Å; F21-P45 HydrophobicContact CG-CB 4.34Å; F21-P45 HydrophobicContact CG-CG 4.41Å; F21-P45 HydrophobicContact CZ-CB 3.78Å; F21-P45 HydrophobicContact CZ-CG 3.61Å; F21-V64 HydrophobicContact CE1-CB 4.45Å; F21-V64 HydrophobicContact CE1-CG1 4.46Å; F21-V64 HydrophobicContact CZ-CG1 4.2Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; F21-A71 HydrophobicContact CE2-CB 4.36Å; F21-A71 HydrophobicContact CZ-CB 4.01Å
22	T	92.7	Very high	92.4	Very high	49 Å²	49	45.3 Å²	45.3	30%	0.301	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-72.8	-11.9	-179.4	51.3	0	0	0	0	114.1	T20 Y24 N46	T20-T22 WeakPolarHBondContact CG2-OG1 3.49Å; T20-T22 PolarHBondContact O-N 3.09Å; T20-T22 VanDerWaalsContact O-N 3.11Å; T22-Y24 VanDerWaalsContact C-N 3.34Å; T22-N46 WeakPolarHBondContact O-CB 3.38Å
23	S	89.8	Confident	92.2	Very high	41 Å²	41	50.4 Å²	50.4	29%	0.287	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-89.3	6.4	178.5	-57	0	0	0	0	114	T20 F21 I93	T20-S23 WeakPolarHBondContact CG2-OG 3.36Å; T20-S23 WeakPolarHBondContact O-CB 3.39Å; T20-S23 PolarHBondContact O-N 2.67Å; F21-S23 PolarHBondContact O-N 3.29Å; S23-I93 WeakPolarHBondContact O-CD1 3.4Å; S23-I93 WeakPolarHBondContact O-CG1 3.39Å; S23-I93 PolarHBondContact O-N 3.49Å
24	Y	88.8	Confident	92	Very high	37 Å²	37	51.2 Å²	51.2	15%	0.145	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	158.6	-176.4	-68.8	-98.6	0	0	0	111.5	Y19 T20 F21 T22 P45 R90 S91 Y92	Y19-Y24 AromaticContact CD2-CD2 3.39Å; Y19-Y24 HydrophobicContact CD2-CD2 3.39Å; Y19-Y24 AromaticContact CD2-CE2 3.45Å; Y19-Y24 HydrophobicContact CD2-CE2 3.45Å; Y19-Y24 VanDerWaalsContact CD2-CE2 3.45Å; Y19-Y24 HydrophobicContact CD2-CG 4.17Å; Y19-Y24 AromaticContact CE2-CD2 3.74Å; Y19-Y24 HydrophobicContact CE2-CD2 3.74Å; Y19-Y24 HydrophobicContact CE2-CE2 4.22Å; Y19-Y24 HydrophobicContact CE2-CG 4.12Å; Y19-Y24 HydrophobicContact CG-CD2 4.46Å; Y19-Y24 HydrophobicContact CG-CE2 4.13Å; T20-Y24 WeakPolarHBondContact O-CD2 3.36Å; F21-Y24 PolarHBondContact O-N 2.9Å; T22-Y24 VanDerWaalsContact C-N 3.34Å; Y24-P45 WeakPolarHBondContact O-CD 3.45Å; Y24-R90 HydrophobicContact CD1-CB 4.13Å; Y24-R90 HydrophobicContact CD1-CG 4.11Å; Y24-S91 CarbonylContact C-O 3.54Å; Y24-S91 WeakPolarHBondContact CA-O 3.42Å; Y24-S91 WeakPolarHBondContact CD1-O 3.42Å; Y24-Y92 HydrophobicContact CD1-CD2 4.37Å; Y24-Y92 AromaticContact CE1-CD2 3.58Å; Y24-Y92 HydrophobicContact CE1-CD2 3.58Å; Y24-Y92 HydrophobicContact CE1-CG 4.26Å; Y24-Y92 HydrophobicContact CE2-CD2 4.24Å; Y24-Y92 HydrophobicContact CE2-CE2 4.46Å; Y24-Y92 AromaticContact CZ-CD2 3.5Å; Y24-Y92 VanDerWaalsContact CZ-CD2 3.5Å; Y24-Y92 WeakPolarHBondContact OH-CD2 3.32Å
25	R	91.8	Very high	91.9	Very high	103 Å²	103	55.7 Å²	55.7	39%	0.389	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	138.5	161.2	-66.5	171.4	179.1	148.6	-0.2	109	H27 M42 H44 R90 S91	R25-H27 WeakPolarHBondContact CB-NE2 3.02Å; R25-H27 PolarHBondContact O-CD2 3.27Å; R25-M42 HydrophobicContact CB-SD 4.27Å; R25-M42 HydrophobicContact CG-SD 4.1Å; R25-H44 HydrophobicContact CG-CB 4.47Å; R25-R90 VanDerWaalsContact O-CA 3.26Å; R25-R90 WeakPolarHBondContact O-CA 3.44Å; R25-S91 PolarHBondContact N-O 3.33Å; R25-S91 PolarHBondContact O-N 2.93Å; R25-S91 VanDerWaalsContact O-N 3.1Å
26	M	93.6	Very high	91.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	119.9	175.4	-63.4	-56.9	-59	0	0	109.2	C14 F21 M42 I43 P45 A71 C88 R90	C14-M26 VanDerWaalsContact SG-CE 3.57Å; F21-M26 HydrophobicContact CD2-CG 4.38Å; F21-M26 HydrophobicContact CD2-SD 4.22Å; F21-M26 HydrophobicContact CE2-CE 4.46Å; F21-M26 HydrophobicContact CE2-CG 3.54Å; F21-M26 HydrophobicContact CE2-SD 3.78Å; F21-M26 HydrophobicContact CZ-CG 4.17Å; M26-M42 CarbonylContact O-C 3.55Å; M26-M42 WeakPolarHBondContact O-CA 3.49Å; M26-M42 WeakPolarHBondContact O-CB 3.23Å; M26-I43 HydrophobicContact CB-CG2 4.11Å; M26-I43 PolarHBondContact N-O 3.09Å; M26-I43 PolarHBondContact O-N 2.77Å; M26-P45 HydrophobicContact CG-CG 3.78Å; M26-A71 HydrophobicContact CB-CB 4.03Å; M26-A71 HydrophobicContact CG-CB 4.01Å; M26-C88 HydrophobicContact CE-CB 4.41Å; M26-R90 HydrophobicContact SD-CB 4.07Å
27	H	94.9	Very high	91.9	Very high	13 Å²	13	56.3 Å²	56.3	6%	0.06	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	145	-178.9	-63.7	-103.1	0	0	0	109.9	R25 W39 G41 C88 A89 S91 F102	R25-H27 WeakPolarHBondContact CB-NE2 3.02Å; R25-H27 PolarHBondContact O-CD2 3.27Å; H27-W39 AromaticContact CG-NE1 3.95Å; H27-W39 AromaticContact ND1-NE1 3.21Å; H27-W39 PolarHBondContact ND1-NE1 2.79Å; H27-G41 WeakPolarHBondContact CA-O 3.27Å; H27-C88 CarbonylContact O-C 3.53Å; H27-C88 VanDerWaalsContact O-CA 3.23Å; H27-C88 WeakPolarHBondContact O-CA 3.26Å; H27-A89 HydrophobicContact CB-CB 4.36Å; H27-A89 PolarHBondContact N-O 3.1Å; H27-A89 PolarHBondContact O-N 3.12Å; H27-S91 PolarHBondContact NE2-OG 2.85Å; H27-F102 HydrophobicContact CB-CE1 4.41Å; H27-F102 AromaticContact CD2-CE1 3.62Å; H27-F102 AromaticContact CE1-CE1 3.43Å; H27-F102 VanDerWaalsContact CE1-CE1 3.43Å; H27-F102 WeakPolarHBondContact CE1-CE1 3.13Å; H27-F102 AromaticContact CE1-CZ 3.98Å; H27-F102 AromaticContact CG-CE1 3.57Å; H27-F102 AromaticContact ND1-CE1 3.42Å; H27-F102 WeakPolarHBondContact ND1-CE1 3.21Å; H27-F102 AromaticContact ND1-CZ 3.87Å; H27-F102 AromaticContact NE2-CE1 3.55Å
28	W	96.2	Very high	92.2	Very high	6 Å²	6	53.7 Å²	53.7	2%	0.023	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134.9	172.8	-69.1	92.3	0	0	0	110	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.91Å; L12-W28 HydrophobicContact CB-CZ3 3.8Å; L12-W28 HydrophobicContact CD1-CZ3 4.43Å; C14-W28 HydrophobicContact CB-CH2 3.93Å; C14-W28 HydrophobicContact CB-CZ2 4.08Å; W28-I40 HydrophobicContact CB-CB 4.17Å; W28-I40 HydrophobicContact CB-CD1 4.32Å; W28-I40 WeakPolarHBondContact O-CB 3.18Å; W28-I40 PolarHBondContact O-N 2.82Å; W28-G41 PolarHBondContact N-O 2.66Å; W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 4.11Å; W28-A71 HydrophobicContact CZ2-CB 4.44Å; W28-M73 HydrophobicContact CB-CE 4.37Å; W28-M73 HydrophobicContact CB-SD 3.72Å; W28-M73 HydrophobicContact CD2-CB 3.6Å; W28-M73 HydrophobicContact CD2-CE 4.14Å; W28-M73 HydrophobicContact CD2-CG 4.42Å; W28-M73 HydrophobicContact CD2-SD 4.02Å; W28-M73 HydrophobicContact CE3-CB 3.95Å; W28-M73 HydrophobicContact CE3-CE 3.7Å; W28-M73 HydrophobicContact CE3-SD 4.21Å; W28-M73 HydrophobicContact CG-CB 4.05Å; W28-M73 HydrophobicContact CG-CE 4.45Å; W28-M73 HydrophobicContact CG-SD 3.83Å; W28-M73 HydrophobicContact CH2-CB 4.16Å; W28-M73 HydrophobicContact CZ2-CB 3.84Å; W28-M73 HydrophobicContact CZ3-CB 4.21Å; W28-M73 HydrophobicContact CZ3-CE 4.32Å; W28-Y87 WeakPolarHBondContact CA-O 3.2Å; W28-C88 HydrophobicContact CE3-CB 4.36Å; W28-C88 HydrophobicContact CH2-CB 4.49Å; W28-C88 HydrophobicContact CZ3-CB 4.33Å
29	V	95.4	Very high	92.6	Very high	20 Å²	20	53.3 Å²	53.3	12%	0.121	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	138.3	-173.8	-174	0	0	0	0	109.2	L37 E38 Y86 Y87	V29-L37 HydrophobicContact CG1-CB 3.71Å; V29-L37 HydrophobicContact CG1-CD2 3.86Å; V29-L37 HydrophobicContact CG1-CG 4.23Å; V29-E38 CarbonylContact C-O 3.52Å; V29-E38 WeakPolarHBondContact CA-O 3.15Å; V29-E38 WeakPolarHBondContact CG1-O 3.02Å; V29-Y86 CarbonylContact O-C 3.41Å; V29-Y86 WeakPolarHBondContact O-CA 3.37Å; V29-Y87 PolarHBondContact N-O 3.04Å; V29-Y87 PolarHBondContact O-N 2.81Å
30	K	95	Very high	93.2	Very high	1 Å²	1	51.4 Å²	51.4	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	140.9	175.3	-177.5	-179.2	179.7	179.6	0	110	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.39Å; K30-E38 PolarHBondContact N-O 3.26Å; K30-E38 PolarHBondContact O-N 2.9Å; K30-I40 HydrophobicContact CB-CD1 4.08Å; K30-I40 HydrophobicContact CB-CG1 4.25Å; K30-F56 HydrophobicContact CD-CE1 4.04Å; K30-F56 HydrophobicContact CD-CZ 4.14Å; K30-E81 PolarHBondContact NZ-O 2.94Å; K30-D82 IonicContact NZ-OD1 3.67Å; K30-A84 HydrophobicContact CD-CB 4.11Å; K30-A84 HydrophobicContact CG-CB 3.46Å; K30-A84 VanDerWaalsContact CG-CB 3.46Å; K30-Y86 HydrophobicContact CB-CD1 4.11Å; K30-Y86 HydrophobicContact CB-CE1 3.87Å; K30-Y86 HydrophobicContact CD-CE1 3.93Å; K30-Y86 WeakPolarHBondContact CE-OH 3.28Å; K30-Y86 HydrophobicContact CG-CD1 4.28Å; K30-Y86 HydrophobicContact CG-CE1 3.72Å
31	Q	95.1	Very high	93.5	Very high	67 Å²	67	47.3 Å²	47.3	31%	0.313	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	117.6	171.2	-166.6	-178.8	26.9	0	0	110.4	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.85Å; Q31-L37 HydrophobicContact CG-CD2 3.96Å; Q31-A84 WeakPolarHBondContact O-CA 3.4Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.2Å; Q31-V85 PolarHBondContact N-O 3.48Å; Q31-V85 PolarHBondContact O-N 2.94Å; Q31-Y87 HydrophobicContact CB-CD2 4.42Å; Q31-Y87 HydrophobicContact CB-CE2 3.72Å; Q31-Y87 PolarHBondContact OE1-OH 3.06Å
32	R	94.3	Very high	93.7	Very high	57 Å²	57	47.8 Å²	47.8	22%	0.215	28%	0.275	C	S	.	.			trans	-86.9	152.4	169.4	-59.7	-165.2	-169.9	84.9	-0.3	110.4	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.93Å; R32-Q35 HydrophobicContact CB-CB 4.01Å; R32-Q35 HydrophobicContact CB-CG 4.02Å; R32-Q35 PolarHBondContact O-N 3.04Å; R32-E38 IonicContact CZ-OE1 3.81Å; R32-E38 IonicContact NH1-OE1 3.63Å; R32-E38 PolarHBondContact NH1-OE1 2.95Å; R32-E38 IonicContact NH2-OE1 2.67Å; R32-E81 PolarHBondContact NE-O 3.22Å; R32-E81 PolarHBondContact NH2-O 3.48Å; R32-A84 HydrophobicContact CG-CB 4.26Å
33	P	90.8	Very high	93.8	Very high	122 Å²	122	45.7 Å²	45.7	79%	0.792	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	128	172.6	-25.1	34.5	0	0	0	111.3	Q35	P33-Q35 PolarHBondContact O-N 2.95Å
34	G	91.9	Very high	94.1	Very high	93 Å²	93	45.1 Å²	45.1	96%	0.959	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	4.5	-179.5	0	0	0	0	0	115.7	R32	R32-G34 PolarHBondContact O-N 2.93Å
35	Q	92.6	Very high	94.4	Very high	99 Å²	99	43.3 Å²	43.3	46%	0.463	25%	0.247	S	C	.	.	S	Bend	trans	-112.3	159.9	176.7	-60.1	-172	-5	0	0	111.9	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.01Å; R32-Q35 HydrophobicContact CB-CG 4.02Å; R32-Q35 PolarHBondContact O-N 3.04Å; P33-Q35 PolarHBondContact O-N 2.95Å
36	G	91.4	Very high	94.5	Very high	55 Å²	55	42.9 Å²	42.9	57%	0.567	25%	0.252	S	S	*	.			trans	-67.3	173.2	172.6	0	0	0	0	0	113.2
37	L	92.7	Very high	94.6	Very high	113 Å²	113	46.6 Å²	46.6	59%	0.592	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	127.8	173.7	-66.4	176.4	0	0	0	110.5	V29 Q31 Y87	V29-L37 HydrophobicContact CG1-CB 3.71Å; V29-L37 HydrophobicContact CG1-CD2 3.86Å; V29-L37 HydrophobicContact CG1-CG 4.23Å; Q31-L37 HydrophobicContact CB-CD2 3.85Å; Q31-L37 HydrophobicContact CG-CD2 3.96Å; L37-Y87 HydrophobicContact CD2-CE2 4.48Å
38	E	95.1	Very high	94.5	Very high	36 Å²	36	47.7 Å²	47.7	17%	0.168	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115.1	173.8	-68	-169.5	-84.7	0	0	110.1	V29 K30 R32 I40 K55 F56	V29-E38 CarbonylContact C-O 3.52Å; V29-E38 WeakPolarHBondContact CA-O 3.15Å; V29-E38 WeakPolarHBondContact CG1-O 3.02Å; K30-E38 HydrophobicContact CB-CB 4.39Å; K30-E38 PolarHBondContact N-O 3.26Å; K30-E38 PolarHBondContact O-N 2.9Å; R32-E38 IonicContact CZ-OE1 3.81Å; R32-E38 IonicContact NH1-OE1 3.63Å; R32-E38 PolarHBondContact NH1-OE1 2.95Å; R32-E38 IonicContact NH2-OE1 2.67Å; E38-I40 PolarHBondContact O-N 2.83Å; E38-K55 IonicContact OE2-NZ 3.5Å; E38-F56 HydrophobicContact CB-CE2 4.47Å; E38-F56 HydrophobicContact CB-CZ 4.41Å
39	W	95.1	Very high	94.5	Very high	75 Å²	75	50.7 Å²	50.7	28%	0.284	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	126.7	175.1	-178.1	72.5	0	0	0	110.6	H27 G41 M42 N51 N53	H27-W39 AromaticContact CG-NE1 3.95Å; H27-W39 AromaticContact ND1-NE1 3.21Å; H27-W39 PolarHBondContact ND1-NE1 2.79Å; W39-G41 VanDerWaalsContact CE2-C 3.44Å; W39-G41 PolarHBondContact NE1-O 3.15Å; W39-M42 HydrophobicContact CZ2-CB 3.98Å; W39-M42 HydrophobicContact CZ2-CG 3.81Å; W39-N51 HydrophobicContact CH2-CB 4.24Å; W39-N53 HydrophobicContact CE3-CB 3.89Å; W39-N53 HydrophobicContact CZ3-CB 4.11Å; W39-N53 WeakPolarHBondContact O-CB 3.42Å; W39-N53 PolarHBondContact O-ND2 3.18Å
40	I	97.3	Very high	94.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-48	-179.4	-62.9	173.6	0	0	0	110.3	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.17Å; W28-I40 HydrophobicContact CB-CD1 4.32Å; W28-I40 WeakPolarHBondContact O-CB 3.18Å; W28-I40 PolarHBondContact O-N 2.82Å; K30-I40 HydrophobicContact CB-CD1 4.08Å; K30-I40 HydrophobicContact CB-CG1 4.25Å; E38-I40 PolarHBondContact O-N 2.83Å; I40-N53 PolarHBondContact O-N 3.01Å; I40-F56 HydrophobicContact CB-CD2 4.33Å; I40-F56 HydrophobicContact CB-CG 4.27Å; I40-F56 HydrophobicContact CG1-CD1 4.16Å; I40-F56 HydrophobicContact CG1-CD2 4.21Å; I40-F56 HydrophobicContact CG1-CE1 4.19Å; I40-F56 HydrophobicContact CG1-CE2 4.23Å; I40-F56 HydrophobicContact CG1-CG 4.17Å; I40-F56 HydrophobicContact CG1-CZ 4.22Å; I40-F56 HydrophobicContact CG2-CB 3.73Å; I40-F56 HydrophobicContact CG2-CD1 4.32Å; I40-F56 HydrophobicContact CG2-CD2 4.42Å; I40-F56 HydrophobicContact CG2-CG 3.92Å; I40-A60 HydrophobicContact CG2-CB 3.7Å; I40-M73 HydrophobicContact CB-SD 4.46Å; I40-M73 HydrophobicContact CD1-CE 3.72Å; I40-M73 HydrophobicContact CD1-SD 3.6Å; I40-M73 VanDerWaalsContact CD1-SD 3.6Å; I40-M73 HydrophobicContact CG2-SD 3.84Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.79Å
41	G	96.7	Very high	94.6	Very high	0 Å²	0	57 Å²	57	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.5	178.6	-171.5	0	0	0	0	0	112.4	H27 W28 W39 N51	H27-G41 WeakPolarHBondContact CA-O 3.27Å; W28-G41 PolarHBondContact N-O 2.66Å; W39-G41 VanDerWaalsContact CE2-C 3.44Å; W39-G41 PolarHBondContact NE1-O 3.15Å; G41-N51 CarbonylContact C-O 3.59Å; G41-N51 WeakPolarHBondContact CA-O 3.26Å
42	M	95.9	Very high	94.7	Very high	17 Å²	17	55.7 Å²	55.7	8%	0.084	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	155.3	171.9	64.2	105.6	-93.7	0	0	111.3	R25 M26 W39 S49 T50 N51 L62	R25-M42 HydrophobicContact CB-SD 4.27Å; R25-M42 HydrophobicContact CG-SD 4.1Å; M26-M42 CarbonylContact O-C 3.55Å; M26-M42 WeakPolarHBondContact O-CA 3.49Å; M26-M42 WeakPolarHBondContact O-CB 3.23Å; W39-M42 HydrophobicContact CZ2-CB 3.98Å; W39-M42 HydrophobicContact CZ2-CG 3.81Å; M42-S49 WeakPolarHBondContact CE-O 3.46Å; M42-T50 VanDerWaalsContact O-CA 3.28Å; M42-T50 WeakPolarHBondContact O-CA 3.22Å; M42-N51 HydrophobicContact CE-CB 4.13Å; M42-N51 HydrophobicContact CG-CB 4.04Å; M42-N51 PolarHBondContact N-O 3.15Å; M42-N51 PolarHBondContact O-N 2.97Å; M42-N51 HydrophobicContact SD-CB 4.47Å; M42-L62 VanDerWaalsContact C-CD1 3.47Å; M42-L62 WeakPolarHBondContact O-CD1 3.22Å
43	I	96.5	Very high	94.8	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.026	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.6	168	-174.2	157	0	0	0	109.3	M26 P45 S49 T50 L62 V64	M26-I43 HydrophobicContact CB-CG2 4.11Å; M26-I43 PolarHBondContact N-O 3.09Å; M26-I43 PolarHBondContact O-N 2.77Å; I43-P45 WeakPolarHBondContact O-CD 3.37Å; I43-S49 WeakPolarHBondContact CA-O 3.48Å; I43-T50 HydrophobicContact CB-CG2 4.11Å; I43-T50 HydrophobicContact CD1-CG2 3.82Å; I43-T50 HydrophobicContact CG1-CG2 3.94Å; I43-L62 HydrophobicContact CB-CB 4.02Å; I43-L62 HydrophobicContact CB-CD1 4.41Å; I43-L62 HydrophobicContact CD1-CB 4.26Å; I43-L62 HydrophobicContact CG2-CB 4.3Å; I43-V64 HydrophobicContact CB-CG1 4.42Å; I43-V64 HydrophobicContact CD1-CB 4.48Å; I43-V64 HydrophobicContact CD1-CG1 3.82Å; I43-V64 HydrophobicContact CD1-CG2 4.19Å; I43-V64 HydrophobicContact CG1-CG1 3.88Å; I43-V64 HydrophobicContact CG2-CG1 3.68Å
44	H	95.1	Very high	95.1	Very high	28 Å²	28	55.5 Å²	55.5	13%	0.13	34%	0.335	C	S	.	.			trans	-90.6	108.5	173	-176.3	-120.7	0	0	0	109.1	R25 N46 S47 G48 S49 I93	R25-H44 HydrophobicContact CG-CB 4.47Å; H44-N46 PolarHBondContact O-N 3.13Å; H44-S47 PolarHBondContact ND1-N 2.9Å; H44-S47 PolarHBondContact ND1-OG 2.86Å; H44-S47 PolarHBondContact O-N 3.42Å; H44-G48 WeakPolarHBondContact O-CA 3.42Å; H44-G48 PolarHBondContact O-N 3.46Å; H44-S49 PolarHBondContact N-O 2.91Å; H44-I93 WeakPolarHBondContact NE2-CD1 3.46Å
45	P	94.9	Very high	95.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-29.6	-170.8	-23.3	36	0	0	0	114	F21 Y24 M26 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.78Å; F21-P45 HydrophobicContact CD1-CG 4.24Å; F21-P45 HydrophobicContact CD2-CG 4.16Å; F21-P45 HydrophobicContact CE1-CB 3.47Å; F21-P45 VanDerWaalsContact CE1-CB 3.47Å; F21-P45 HydrophobicContact CE1-CG 3.85Å; F21-P45 HydrophobicContact CE2-CB 4.33Å; F21-P45 HydrophobicContact CE2-CG 3.78Å; F21-P45 HydrophobicContact CG-CB 4.34Å; F21-P45 HydrophobicContact CG-CG 4.41Å; F21-P45 HydrophobicContact CZ-CB 3.78Å; F21-P45 HydrophobicContact CZ-CG 3.61Å; Y24-P45 WeakPolarHBondContact O-CD 3.45Å; M26-P45 HydrophobicContact CG-CG 3.78Å; I43-P45 WeakPolarHBondContact O-CD 3.37Å; P45-V64 HydrophobicContact CB-CB 4.47Å; P45-V64 HydrophobicContact CB-CG1 4.07Å; P45-V64 HydrophobicContact CG-CG1 4.2Å; P45-K66 WeakPolarHBondContact O-CE 3.4Å
46	N	94.1	Very high	95.3	Very high	93 Å²	93	53.9 Å²	53.9	50%	0.497	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-51	178.1	-172.9	28.8	0	0	0	112.6	T22 H44 K66	T22-N46 WeakPolarHBondContact O-CB 3.38Å; H44-N46 PolarHBondContact O-N 3.13Å; N46-K66 WeakPolarHBondContact O-CE 3.32Å; N46-K66 PolarHBondContact O-NZ 3.43Å
47	S	94.6	Very high	95.5	Very high	79 Å²	79	56.6 Å²	56.6	55%	0.552	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-13.8	-175.2	65.1	0	0	0	0	114.5	H44 S49	H44-S47 PolarHBondContact ND1-N 2.9Å; H44-S47 PolarHBondContact ND1-OG 2.86Å; H44-S47 PolarHBondContact O-N 3.42Å; S47-S49 PolarHBondContact O-N 2.75Å; S47-S49 WeakPolarHBondContact OG-CB 3.39Å; S47-S49 PolarHBondContact OG-N 2.55Å
48	G	94.7	Very high	95.6	Very high	36 Å²	36	56.6 Å²	56.6	37%	0.371	31%	0.306	S	S	.	.			trans	72.4	2.3	-171.4	0	0	0	0	0	114.1	H44 T50	H44-G48 WeakPolarHBondContact O-CA 3.42Å; H44-G48 PolarHBondContact O-N 3.46Å; G48-T50 PolarHBondContact O-N 2.82Å
49	S	95.5	Very high	95.6	Very high	69 Å²	69	56.8 Å²	56.8	48%	0.483	31%	0.306	S	S	.	.			trans	-62.4	134.1	179	176.7	0	0	0	0	110.7	M42 I43 H44 S47	M42-S49 WeakPolarHBondContact CE-O 3.46Å; I43-S49 WeakPolarHBondContact CA-O 3.48Å; H44-S49 PolarHBondContact N-O 2.91Å; S47-S49 PolarHBondContact O-N 2.75Å; S47-S49 WeakPolarHBondContact OG-CB 3.39Å; S47-S49 PolarHBondContact OG-N 2.55Å
50	T	96.9	Very high	95.7	Very high	59 Å²	59	53.3 Å²	53.3	36%	0.362	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	148.3	179.9	55.3	0	0	0	0	111.6	M42 I43 G48 Y52 L62	M42-T50 VanDerWaalsContact O-CA 3.28Å; M42-T50 WeakPolarHBondContact O-CA 3.22Å; I43-T50 HydrophobicContact CB-CG2 4.11Å; I43-T50 HydrophobicContact CD1-CG2 3.82Å; I43-T50 HydrophobicContact CG1-CG2 3.94Å; G48-T50 PolarHBondContact O-N 2.82Å; T50-Y52 HydrophobicContact CG2-CE2 4.33Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.43Å; T50-L62 HydrophobicContact CG2-CB 4.15Å
51	N	96.3	Very high	95.8	Very high	94 Å²	94	56.8 Å²	56.8	50%	0.503	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141.8	169.4	-172.4	17	0	0	0	107.8	W39 G41 M42	W39-N51 HydrophobicContact CH2-CB 4.24Å; G41-N51 CarbonylContact C-O 3.59Å; G41-N51 WeakPolarHBondContact CA-O 3.26Å; M42-N51 HydrophobicContact CE-CB 4.13Å; M42-N51 HydrophobicContact CG-CB 4.04Å; M42-N51 PolarHBondContact N-O 3.15Å; M42-N51 PolarHBondContact O-N 2.97Å; M42-N51 HydrophobicContact SD-CB 4.47Å
52	Y	97.1	Very high	95.9	Very high	39 Å²	39	57.2 Å²	57.2	15%	0.153	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150.5	-172.9	-67.1	-88	0	0	0	110.4	T50 K57 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.33Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.43Å; Y52-K57 HydrophobicContact CD2-CG 4.5Å; Y52-K57 HydrophobicContact CG-CG 4.38Å; Y52-A60 HydrophobicContact CE1-CB 4.33Å; Y52-A60 WeakPolarHBondContact CE1-O 3.44Å; Y52-L62 HydrophobicContact CE1-CD1 3.92Å; Y52-L62 HydrophobicContact CE1-CG 3.64Å; Y52-L62 PolarHBondContact OH-N 3.28Å
53	N	96.4	Very high	96	Very high	45 Å²	45	59.3 Å²	59.3	24%	0.241	33%	0.331	C	S	.	.			trans	-73.8	131.9	155.8	-180	-22.6	0	0	0	108.1	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.89Å; W39-N53 HydrophobicContact CZ3-CB 4.11Å; W39-N53 WeakPolarHBondContact O-CB 3.42Å; W39-N53 PolarHBondContact O-ND2 3.18Å; I40-N53 PolarHBondContact O-N 3.01Å; N53-K55 PolarHBondContact O-N 3.18Å; N53-K55 VanDerWaalsContact O-N 3.07Å; N53-K55 PolarHBondContact OD1-N 2.94Å; N53-K55 VanDerWaalsContact OD1-N 3.15Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 2.84Å; N53-K57 PolarHBondContact O-N 3.1Å
54	E	95.9	Very high	96	Very high	130 Å²	130	61 Å²	61	61%	0.607	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-31.4	-176.4	-69.1	-60.6	146.5	0	0	112.8	F56 K57	E54-F56 PolarHBondContact O-N 2.96Å; E54-K57 PolarHBondContact O-N 2.77Å; E54-K57 IonicContact OE1-NZ 2.81Å; E54-K57 PolarHBondContact OE1-NZ 3.25Å; E54-K57 WeakPolarHBondContact OE2-CD 3.5Å; E54-K57 IonicContact OE2-NZ 3.27Å; E54-K57 PolarHBondContact OE2-NZ 2.03Å
55	K	93.9	Very high	96.1	Very high	148 Å²	148	62.2 Å²	62.2	64%	0.643	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.6	175.2	-67.8	-173.7	-177.6	-178.3	0	114.3	E38 N53	E38-K55 IonicContact OE2-NZ 3.5Å; N53-K55 PolarHBondContact O-N 3.18Å; N53-K55 VanDerWaalsContact O-N 3.07Å; N53-K55 PolarHBondContact OD1-N 2.94Å; N53-K55 VanDerWaalsContact OD1-N 3.15Å
56	F	95.6	Very high	96	Very high	10 Å²	10	67.5 Å²	67.5	4%	0.044	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-6.5	-173	-61.7	-83.3	0	0	0	113.3	K30 E38 I40 N53 E54 S58 K59 A60	K30-F56 HydrophobicContact CD-CE1 4.04Å; K30-F56 HydrophobicContact CD-CZ 4.14Å; E38-F56 HydrophobicContact CB-CE2 4.47Å; E38-F56 HydrophobicContact CB-CZ 4.41Å; I40-F56 HydrophobicContact CB-CD2 4.33Å; I40-F56 HydrophobicContact CB-CG 4.27Å; I40-F56 HydrophobicContact CG1-CD1 4.16Å; I40-F56 HydrophobicContact CG1-CD2 4.21Å; I40-F56 HydrophobicContact CG1-CE1 4.19Å; I40-F56 HydrophobicContact CG1-CE2 4.23Å; I40-F56 HydrophobicContact CG1-CG 4.17Å; I40-F56 HydrophobicContact CG1-CZ 4.22Å; I40-F56 HydrophobicContact CG2-CB 3.73Å; I40-F56 HydrophobicContact CG2-CD1 4.32Å; I40-F56 HydrophobicContact CG2-CD2 4.42Å; I40-F56 HydrophobicContact CG2-CG 3.92Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 2.84Å; E54-F56 PolarHBondContact O-N 2.96Å; F56-S58 VanDerWaalsContact C-N 3.25Å; F56-S58 PolarHBondContact O-N 2.89Å; F56-K59 PolarHBondContact O-N 2.92Å; F56-A60 HydrophobicContact CB-CB 4.33Å; F56-A60 PolarHBondContact O-N 3.18Å
57	K	94.5	Very high	96	Very high	112 Å²	112	68.3 Å²	68.3	49%	0.487	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-32.2	-172.7	-168.5	177.2	-172.3	174.1	0	114	Y52 N53 E54	Y52-K57 HydrophobicContact CD2-CG 4.5Å; Y52-K57 HydrophobicContact CG-CG 4.38Å; N53-K57 PolarHBondContact O-N 3.1Å; E54-K57 PolarHBondContact O-N 2.77Å; E54-K57 IonicContact OE1-NZ 2.81Å; E54-K57 PolarHBondContact OE1-NZ 3.25Å; E54-K57 WeakPolarHBondContact OE2-CD 3.5Å; E54-K57 IonicContact OE2-NZ 3.27Å; E54-K57 PolarHBondContact OE2-NZ 2.03Å
58	S	95.1	Very high	96.1	Very high	114 Å²	114	66.3 Å²	66.3	80%	0.797	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-12.1	175.7	57.4	0	0	0	0	113.9	F56	F56-S58 VanDerWaalsContact C-N 3.25Å; F56-S58 PolarHBondContact O-N 2.89Å
59	K	95.6	Very high	96.1	Very high	39 Å²	39	66.4 Å²	66.4	17%	0.17	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-30.2	-167.5	-157.1	171.2	-165.9	171.8	0	113.6	F56 L75 S76 S77 D82	F56-K59 PolarHBondContact O-N 2.92Å; K59-L75 WeakPolarHBondContact O-CA 3.44Å; K59-S76 VanDerWaalsContact CE-O 3.32Å; K59-S76 WeakPolarHBondContact CE-O 3.12Å; K59-S76 WeakPolarHBondContact CG-O 3.42Å; K59-S76 PolarHBondContact O-N 2.99Å; K59-S76 PolarHBondContact O-OG 3.36Å; K59-S77 WeakPolarHBondContact CE-O 3.32Å; K59-D82 WeakPolarHBondContact CE-OD1 3.42Å; K59-D82 WeakPolarHBondContact CE-OD2 3.36Å; K59-D82 IonicContact NZ-OD1 2.86Å; K59-D82 PolarHBondContact NZ-OD1 2.91Å; K59-D82 IonicContact NZ-OD2 2.55Å; K59-D82 PolarHBondContact NZ-OD2 2.9Å
60	A	97.7	Very high	96.2	Very high	3 Å²	3	63.4 Å²	63.4	3%	0.025	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	130.3	-177.1	0	0	0	0	0	110.9	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.7Å; Y52-A60 HydrophobicContact CE1-CB 4.33Å; Y52-A60 WeakPolarHBondContact CE1-O 3.44Å; F56-A60 HydrophobicContact CB-CB 4.33Å; F56-A60 PolarHBondContact O-N 3.18Å; A60-M73 HydrophobicContact CB-CG 4.42Å; A60-M73 HydrophobicContact CB-SD 4.37Å; A60-Q74 CarbonylContact C-O 3.54Å; A60-Q74 WeakPolarHBondContact CA-O 3.45Å; A60-L75 HydrophobicContact CB-CD2 3.96Å
61	T	98.3	Very high	96.2	Very high	72 Å²	72	60.6 Å²	60.6	44%	0.442	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.3	169.8	-59	0	0	0	0	109	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.3Å; T61-M73 WeakPolarHBondContact O-CA 3.35Å; T61-Q74 PolarHBondContact N-O 2.81Å; T61-Q74 PolarHBondContact O-N 3.27Å
62	L	98.3	Very high	96.3	Very high	9 Å²	9	58.6 Å²	58.6	5%	0.047	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.9	178.6	-52.4	-176.4	0	0	0	110.8	W28 M42 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 4.11Å; M42-L62 VanDerWaalsContact C-CD1 3.47Å; M42-L62 WeakPolarHBondContact O-CD1 3.22Å; I43-L62 HydrophobicContact CB-CB 4.02Å; I43-L62 HydrophobicContact CB-CD1 4.41Å; I43-L62 HydrophobicContact CD1-CB 4.26Å; I43-L62 HydrophobicContact CG2-CB 4.3Å; T50-L62 HydrophobicContact CG2-CB 4.15Å; Y52-L62 HydrophobicContact CE1-CD1 3.92Å; Y52-L62 HydrophobicContact CE1-CG 3.64Å; Y52-L62 PolarHBondContact OH-N 3.28Å; L62-Y72 WeakPolarHBondContact CA-O 3.43Å; L62-M73 HydrophobicContact CD2-CB 3.68Å; L62-M73 HydrophobicContact CD2-CG 3.62Å; L62-M73 HydrophobicContact CD2-SD 4.07Å
63	T	98.1	Very high	96.3	Very high	62 Å²	62	56.8 Å²	56.8	38%	0.38	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	163.7	176.3	58.1	0	0	0	0	111	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.3Å; T63-Y72 PolarHBondContact N-O 2.91Å; T63-Y72 PolarHBondContact O-N 3.07Å
64	V	97.4	Very high	96.4	Very high	39 Å²	39	58.8 Å²	58.8	24%	0.236	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	143.7	176.9	-69.5	0	0	0	0	110.5	F21 I43 P45 T70 A71	F21-V64 HydrophobicContact CE1-CB 4.45Å; F21-V64 HydrophobicContact CE1-CG1 4.46Å; F21-V64 HydrophobicContact CZ-CG1 4.2Å; I43-V64 HydrophobicContact CB-CG1 4.42Å; I43-V64 HydrophobicContact CD1-CB 4.48Å; I43-V64 HydrophobicContact CD1-CG1 3.82Å; I43-V64 HydrophobicContact CD1-CG2 4.19Å; I43-V64 HydrophobicContact CG1-CG1 3.88Å; I43-V64 HydrophobicContact CG2-CG1 3.68Å; P45-V64 HydrophobicContact CB-CB 4.47Å; P45-V64 HydrophobicContact CB-CG1 4.07Å; P45-V64 HydrophobicContact CG-CG1 4.2Å; V64-T70 WeakPolarHBondContact CA-O 3.01Å; V64-A71 HydrophobicContact CG1-CB 4.19Å
65	D	96.6	Very high	96.4	Very high	54 Å²	54	52.7 Å²	52.7	29%	0.289	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	108.6	164.1	174.5	7.3	0	0	0	108.2	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 WeakPolarHBondContact OD1-CB 3.05Å; D65-S67 PolarHBondContact OD1-N 2.77Å; D65-S67 PolarHBondContact OD1-OG 2.9Å; D65-S67 PolarHBondContact OD2-OG 3.22Å; D65-S68 WeakPolarHBondContact CB-OG 3.28Å; D65-S68 PolarHBondContact OD1-N 3.21Å; D65-S68 VanDerWaalsContact OD2-CB 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 3.2Å; D65-S68 PolarHBondContact OD2-OG 3.04Å; D65-S69 WeakPolarHBondContact O-CA 3.2Å; D65-S69 PolarHBondContact O-N 3.46Å; D65-S69 VanDerWaalsContact O-N 3.07Å; D65-T70 PolarHBondContact N-O 3.46Å; D65-T70 PolarHBondContact O-N 2.89Å; D65-Y72 HydrophobicContact CB-CE2 3.9Å
66	K	94.4	Very high	96.5	Very high	112 Å²	112	47.2 Å²	47.2	49%	0.487	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-33.2	-179.3	-64.4	177.6	176.1	178.8	0	111.9	P45 N46 S69	P45-K66 WeakPolarHBondContact O-CE 3.4Å; N46-K66 WeakPolarHBondContact O-CE 3.32Å; N46-K66 PolarHBondContact O-NZ 3.43Å; K66-S69 PolarHBondContact O-N 2.9Å
67	S	93.9	Very high	96.5	Very high	110 Å²	110	50.4 Å²	50.4	77%	0.769	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-41.6	-175.1	71.6	0	0	0	0	111.6	D65	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 WeakPolarHBondContact OD1-CB 3.05Å; D65-S67 PolarHBondContact OD1-N 2.77Å; D65-S67 PolarHBondContact OD1-OG 2.9Å; D65-S67 PolarHBondContact OD2-OG 3.22Å
68	S	95.9	Very high	96.6	Very high	36 Å²	36	45.1 Å²	45.1	25%	0.252	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	0.1	175.3	66.7	0	0	0	0	113.6	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.28Å; D65-S68 PolarHBondContact OD1-N 3.21Å; D65-S68 VanDerWaalsContact OD2-CB 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 3.2Å; D65-S68 PolarHBondContact OD2-OG 3.04Å; S68-T70 VanDerWaalsContact C-N 3.25Å; S68-T70 PolarHBondContact O-N 3.22Å; S68-T70 PolarHBondContact O-OG1 2.9Å; S68-T70 VanDerWaalsContact O-OG1 3.1Å; S68-T70 WeakPolarHBondContact OG-CB 3.4Å; S68-T70 PolarHBondContact OG-OG1 3.19Å; S68-T70 VanDerWaalsContact OG-OG1 3.12Å
69	S	95.6	Very high	96.6	Very high	39 Å²	39	42.4 Å²	42.4	27%	0.273	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	43.4	-172.9	-59.7	0	0	0	0	113.1	A16 F21 D65 K66	A16-S69 VanDerWaalsContact CB-O 3.26Å; A16-S69 WeakPolarHBondContact CB-O 2.95Å; A16-S69 PolarHBondContact N-O 3.25Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; D65-S69 WeakPolarHBondContact O-CA 3.2Å; D65-S69 PolarHBondContact O-N 3.46Å; D65-S69 VanDerWaalsContact O-N 3.07Å; K66-S69 PolarHBondContact O-N 2.9Å
70	T	96.5	Very high	96.4	Very high	6 Å²	6	44.1 Å²	44.1	4%	0.037	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.4	-174.5	-53.9	0	0	0	0	111.2	C14 K15 V64 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 2.99Å; K15-T70 HydrophobicContact CB-CG2 4.22Å; V64-T70 WeakPolarHBondContact CA-O 3.01Å; D65-T70 PolarHBondContact N-O 3.46Å; D65-T70 PolarHBondContact O-N 2.89Å; S68-T70 VanDerWaalsContact C-N 3.25Å; S68-T70 PolarHBondContact O-N 3.22Å; S68-T70 PolarHBondContact O-OG1 2.9Å; S68-T70 VanDerWaalsContact O-OG1 3.1Å; S68-T70 WeakPolarHBondContact OG-CB 3.4Å; S68-T70 PolarHBondContact OG-OG1 3.19Å; S68-T70 VanDerWaalsContact OG-OG1 3.12Å; T70-Y72 HydrophobicContact CG2-CD1 4.27Å; T70-Y72 HydrophobicContact CG2-CD2 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 3.73Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.39Å
71	A	96.8	Very high	96.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	146.4	167	0	0	0	0	0	110.1	S13 C14 F21 M26 W28 V64	S13-A71 CarbonylContact C-O 3.46Å; S13-A71 WeakPolarHBondContact CA-O 3.46Å; C14-A71 PolarHBondContact N-O 2.8Å; C14-A71 PolarHBondContact O-N 3.01Å; F21-A71 HydrophobicContact CE2-CB 4.36Å; F21-A71 HydrophobicContact CZ-CB 4.01Å; M26-A71 HydrophobicContact CB-CB 4.03Å; M26-A71 HydrophobicContact CG-CB 4.01Å; W28-A71 HydrophobicContact CZ2-CB 4.44Å; V64-A71 HydrophobicContact CG1-CB 4.19Å
72	Y	97.8	Very high	96	Very high	52 Å²	52	47.1 Å²	47.1	20%	0.204	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147.4	177.6	-57.2	-86.8	0	0	0	111.2	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.37Å; K11-Y72 VanDerWaalsContact CE-CD1 3.42Å; K11-Y72 HydrophobicContact CG-CD1 4.32Å; L12-Y72 CarbonylContact O-C 3.57Å; L12-Y72 WeakPolarHBondContact O-CA 3.27Å; S13-Y72 VanDerWaalsContact CB-CD1 3.49Å; S13-Y72 VanDerWaalsContact CB-CE1 3.43Å; L62-Y72 WeakPolarHBondContact CA-O 3.43Å; T63-Y72 PolarHBondContact N-O 2.91Å; T63-Y72 PolarHBondContact O-N 3.07Å; D65-Y72 HydrophobicContact CB-CE2 3.9Å; T70-Y72 HydrophobicContact CG2-CD1 4.27Å; T70-Y72 HydrophobicContact CG2-CD2 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 3.73Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.39Å
73	M	97.8	Very high	95.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	122.6	166.6	176	173.9	71.8	0	0	108.7	K11 L12 W28 I40 A60 T61 L62 L75 Y86	K11-M73 WeakPolarHBondContact CA-O 3.45Å; L12-M73 HydrophobicContact CD1-CE 3.67Å; L12-M73 PolarHBondContact N-O 2.82Å; L12-M73 PolarHBondContact O-N 3.2Å; W28-M73 HydrophobicContact CB-CE 4.37Å; W28-M73 HydrophobicContact CB-SD 3.72Å; W28-M73 HydrophobicContact CD2-CB 3.6Å; W28-M73 HydrophobicContact CD2-CE 4.14Å; W28-M73 HydrophobicContact CD2-CG 4.42Å; W28-M73 HydrophobicContact CD2-SD 4.02Å; W28-M73 HydrophobicContact CE3-CB 3.95Å; W28-M73 HydrophobicContact CE3-CE 3.7Å; W28-M73 HydrophobicContact CE3-SD 4.21Å; W28-M73 HydrophobicContact CG-CB 4.05Å; W28-M73 HydrophobicContact CG-CE 4.45Å; W28-M73 HydrophobicContact CG-SD 3.83Å; W28-M73 HydrophobicContact CH2-CB 4.16Å; W28-M73 HydrophobicContact CZ2-CB 3.84Å; W28-M73 HydrophobicContact CZ3-CB 4.21Å; W28-M73 HydrophobicContact CZ3-CE 4.32Å; I40-M73 HydrophobicContact CB-SD 4.46Å; I40-M73 HydrophobicContact CD1-CE 3.72Å; I40-M73 HydrophobicContact CD1-SD 3.6Å; I40-M73 VanDerWaalsContact CD1-SD 3.6Å; I40-M73 HydrophobicContact CG2-SD 3.84Å; A60-M73 HydrophobicContact CB-CG 4.42Å; A60-M73 HydrophobicContact CB-SD 4.37Å; T61-M73 WeakPolarHBondContact O-CA 3.35Å; L62-M73 HydrophobicContact CD2-CB 3.68Å; L62-M73 HydrophobicContact CD2-CG 3.62Å; L62-M73 HydrophobicContact CD2-SD 4.07Å; M73-L75 HydrophobicContact CE-CD1 4.04Å; M73-L75 HydrophobicContact CE-CD2 4.29Å; M73-L75 HydrophobicContact CE-CG 4.11Å; M73-L75 HydrophobicContact CG-CD2 4.41Å; M73-L75 HydrophobicContact CG-CG 4.38Å; M73-L75 HydrophobicContact SD-CD2 4.16Å; M73-L75 HydrophobicContact SD-CG 4.46Å; M73-Y86 HydrophobicContact CE-CD1 3.64Å; M73-Y86 HydrophobicContact CE-CE1 4.21Å; M73-Y86 HydrophobicContact CE-CG 4.32Å
74	Q	98.1	Very high	95.8	Very high	88 Å²	88	45.7 Å²	45.7	41%	0.411	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.1	169.3	-177	172.7	-3.9	0	0	109.1	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.58Å; V10-Q74 VanDerWaalsContact O-CA 3.27Å; V10-Q74 WeakPolarHBondContact O-CA 3.49Å; A60-Q74 CarbonylContact C-O 3.54Å; A60-Q74 WeakPolarHBondContact CA-O 3.45Å; T61-Q74 PolarHBondContact N-O 2.81Å; T61-Q74 PolarHBondContact O-N 3.27Å
75	L	97.1	Very high	95.7	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.6	170.5	-65.8	169.4	0	0	0	108.3	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.51Å; S9-L75 WeakPolarHBondContact CA-O 3.19Å; S9-L75 WeakPolarHBondContact CB-O 3.27Å; V10-L75 HydrophobicContact CG2-CB 3.97Å; V10-L75 HydrophobicContact CG2-CD1 4.25Å; V10-L75 PolarHBondContact N-O 2.87Å; V10-L75 PolarHBondContact O-N 2.8Å; K59-L75 WeakPolarHBondContact O-CA 3.44Å; A60-L75 HydrophobicContact CB-CD2 3.96Å; M73-L75 HydrophobicContact CE-CD1 4.04Å; M73-L75 HydrophobicContact CE-CD2 4.29Å; M73-L75 HydrophobicContact CE-CG 4.11Å; M73-L75 HydrophobicContact CG-CD2 4.41Å; M73-L75 HydrophobicContact CG-CG 4.38Å; M73-L75 HydrophobicContact SD-CD2 4.16Å; M73-L75 HydrophobicContact SD-CG 4.46Å; L75-L78 HydrophobicContact CB-CD2 3.86Å; L75-L78 HydrophobicContact CD1-CD2 4.34Å; L75-Y86 HydrophobicContact CD1-CD1 4.2Å; L75-Y86 HydrophobicContact CD1-CE1 3.57Å; L75-Y86 HydrophobicContact CD1-CE2 4.25Å
76	S	96.6	Very high	95.7	Very high	34 Å²	34	43.1 Å²	43.1	24%	0.238	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-103.3	160.3	177.7	57.3	0	0	0	0	112.1	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.34Å; K59-S76 VanDerWaalsContact CE-O 3.32Å; K59-S76 WeakPolarHBondContact CE-O 3.12Å; K59-S76 WeakPolarHBondContact CG-O 3.42Å; K59-S76 PolarHBondContact O-N 2.99Å; K59-S76 PolarHBondContact O-OG 3.36Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.81Å
77	S	95.4	Very high	95.7	Very high	77 Å²	77	40 Å²	40	54%	0.538	24%	0.236	S	C	.	.	S	Bend	trans	49.4	52.4	171.2	-58.2	0	0	0	0	112.8	A8 K59	A8-S77 PolarHBondContact O-N 2.89Å; K59-S77 WeakPolarHBondContact CE-O 3.32Å
78	L	95.3	Very high	95.7	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.203	C	C	.	.			trans	-61.4	141.5	-174.2	-74.2	175.6	0	0	0	112.4	V4 P6 G7 A8 V10 L75 S76 D82 V111 V113	V4-L78 HydrophobicContact CB-CD1 4.36Å; V4-L78 HydrophobicContact CG1-CD1 3.77Å; P6-L78 CarbonylContact C-O 3.51Å; P6-L78 WeakPolarHBondContact CA-O 3.44Å; G7-L78 PolarHBondContact N-O 3.22Å; A8-L78 WeakPolarHBondContact O-CB 3.38Å; A8-L78 WeakPolarHBondContact O-CG 3.43Å; A8-L78 PolarHBondContact O-N 2.82Å; V10-L78 HydrophobicContact CB-CD1 4.28Å; V10-L78 HydrophobicContact CG1-CD1 3.6Å; V10-L78 HydrophobicContact CG2-CD1 3.89Å; L75-L78 HydrophobicContact CB-CD2 3.86Å; L75-L78 HydrophobicContact CD1-CD2 4.34Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.81Å; L78-D82 VanDerWaalsContact CA-OD2 3.27Å; L78-D82 WeakPolarHBondContact CA-OD2 3.35Å; L78-D82 HydrophobicContact CD2-CB 3.62Å; L78-D82 WeakPolarHBondContact CD2-OD2 3.34Å; L78-V111 HydrophobicContact CD1-CG1 4.43Å; L78-V113 HydrophobicContact CB-CG1 4.38Å; L78-V113 HydrophobicContact CB-CG2 3.95Å; L78-V113 HydrophobicContact CD1-CG2 4.14Å; L78-V113 HydrophobicContact CG-CG2 4.47Å
79	T	94.8	Very high	95.5	Very high	56 Å²	56	33.8 Å²	33.8	34%	0.344	19%	0.193	S	C	.	.			trans	-123.7	167.3	173.9	64.3	0	0	0	0	109.8	E81 D82 V113	T79-E81 PolarHBondContact O-N 2.97Å; T79-E81 VanDerWaalsContact O-N 3.13Å; T79-D82 PolarHBondContact N-OD2 2.86Å; T79-D82 WeakPolarHBondContact O-CB 3.09Å; T79-D82 PolarHBondContact O-N 3.45Å; T79-D82 PolarHBondContact OG1-OD2 3.06Å; T79-V113 WeakPolarHBondContact O-CB 3.5Å; T79-V113 WeakPolarHBondContact O-CG2 3.38Å
80	S	93	Very high	95.2	Very high	75 Å²	75	34 Å²	34	52%	0.524	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-53.7	-32.7	175.9	52.9	0	0	0	0	112.6	D82 S83	S80-D82 PolarHBondContact O-N 2.95Å; S80-S83 VanDerWaalsContact O-CB 3.27Å; S80-S83 WeakPolarHBondContact O-CB 3.48Å; S80-S83 PolarHBondContact O-N 2.86Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 2.86Å
81	E	92.1	Very high	94.7	Very high	133 Å²	133	34.5 Å²	34.5	62%	0.621	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-65.5	-15.8	176.3	-60.1	-175.6	172.8	0	0	114.4	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.94Å; R32-E81 PolarHBondContact NE-O 3.22Å; R32-E81 PolarHBondContact NH2-O 3.48Å; T79-E81 PolarHBondContact O-N 2.97Å; T79-E81 VanDerWaalsContact O-N 3.13Å; E81-S83 VanDerWaalsContact C-N 3.3Å
82	D	94.7	Very high	93.9	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.032	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-83.2	-7	174.2	-58.1	-46.9	0	0	0	113.7	K30 K59 L78 T79 S80 A84 Y86 V113	K30-D82 IonicContact NZ-OD1 3.67Å; K59-D82 WeakPolarHBondContact CE-OD1 3.42Å; K59-D82 WeakPolarHBondContact CE-OD2 3.36Å; K59-D82 IonicContact NZ-OD1 2.86Å; K59-D82 PolarHBondContact NZ-OD1 2.91Å; K59-D82 IonicContact NZ-OD2 2.55Å; K59-D82 PolarHBondContact NZ-OD2 2.9Å; L78-D82 VanDerWaalsContact CA-OD2 3.27Å; L78-D82 WeakPolarHBondContact CA-OD2 3.35Å; L78-D82 HydrophobicContact CD2-CB 3.62Å; L78-D82 WeakPolarHBondContact CD2-OD2 3.34Å; T79-D82 PolarHBondContact N-OD2 2.86Å; T79-D82 WeakPolarHBondContact O-CB 3.09Å; T79-D82 PolarHBondContact O-N 3.45Å; T79-D82 PolarHBondContact OG1-OD2 3.06Å; S80-D82 PolarHBondContact O-N 2.95Å; D82-A84 PolarHBondContact O-N 3.23Å; D82-A84 VanDerWaalsContact O-N 3.09Å; D82-Y86 WeakPolarHBondContact O-CE2 3.05Å; D82-Y86 PolarHBondContact O-OH 3.36Å; D82-V113 HydrophobicContact CB-CG2 4.4Å
83	S	95.8	Very high	92.5	Very high	34 Å²	34	41.2 Å²	41.2	24%	0.238	22%	0.222	C	C	.	.			trans	-62.6	113.1	174.5	-60.2	0	0	0	0	110.1	S80 E81 V111 V113	S80-S83 VanDerWaalsContact O-CB 3.27Å; S80-S83 WeakPolarHBondContact O-CB 3.48Å; S80-S83 PolarHBondContact O-N 2.86Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 2.86Å; E81-S83 VanDerWaalsContact C-N 3.3Å; S83-V111 VanDerWaalsContact CA-O 3.29Å; S83-V111 WeakPolarHBondContact CA-O 3.47Å; S83-V113 PolarHBondContact OG-N 2.93Å
84	A	96.2	Very high	90.8	Very high	6 Å²	6	44.7 Å²	44.7	5%	0.05	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	169.7	-171.8	0	0	0	0	0	111	K30 Q31 R32 D82 Y86 V111	K30-A84 HydrophobicContact CD-CB 4.11Å; K30-A84 HydrophobicContact CG-CB 3.46Å; K30-A84 VanDerWaalsContact CG-CB 3.46Å; Q31-A84 WeakPolarHBondContact O-CA 3.4Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.2Å; R32-A84 HydrophobicContact CG-CB 4.26Å; D82-A84 PolarHBondContact O-N 3.23Å; D82-A84 VanDerWaalsContact O-N 3.09Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.78Å; A84-V111 PolarHBondContact N-O 3.4Å; A84-V111 PolarHBondContact O-N 3.44Å
85	V	95.9	Very high	88.8	Confident	36 Å²	36	47.5 Å²	47.5	22%	0.218	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	130.8	161.6	-170.2	0	0	0	0	108.5	Q31 Y87	Q31-V85 PolarHBondContact N-O 3.48Å; Q31-V85 PolarHBondContact O-N 2.94Å; V85-Y87 HydrophobicContact CB-CE2 3.87Å; V85-Y87 HydrophobicContact CG1-CD1 4.45Å; V85-Y87 HydrophobicContact CG1-CD2 4.38Å; V85-Y87 HydrophobicContact CG1-CE1 3.75Å; V85-Y87 HydrophobicContact CG1-CE2 3.69Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.43Å
86	Y	96.1	Very high	86.7	Confident	3 Å²	3	52.6 Å²	52.6	1%	0.012	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.4	179	-68.6	-91.8	0	0	0	110.1	L12 V29 K30 I40 M73 L75 D82 A84 G108 T109 V111	L12-Y86 HydrophobicContact CD1-CD1 4.33Å; L12-Y86 HydrophobicContact CD1-CD2 4.21Å; L12-Y86 HydrophobicContact CD1-CG 3.78Å; V29-Y86 CarbonylContact O-C 3.41Å; V29-Y86 WeakPolarHBondContact O-CA 3.37Å; K30-Y86 HydrophobicContact CB-CD1 4.11Å; K30-Y86 HydrophobicContact CB-CE1 3.87Å; K30-Y86 HydrophobicContact CD-CE1 3.93Å; K30-Y86 WeakPolarHBondContact CE-OH 3.28Å; K30-Y86 HydrophobicContact CG-CD1 4.28Å; K30-Y86 HydrophobicContact CG-CE1 3.72Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.79Å; M73-Y86 HydrophobicContact CE-CD1 3.64Å; M73-Y86 HydrophobicContact CE-CE1 4.21Å; M73-Y86 HydrophobicContact CE-CG 4.32Å; L75-Y86 HydrophobicContact CD1-CD1 4.2Å; L75-Y86 HydrophobicContact CD1-CE1 3.57Å; L75-Y86 HydrophobicContact CD1-CE2 4.25Å; D82-Y86 WeakPolarHBondContact O-CE2 3.05Å; D82-Y86 PolarHBondContact O-OH 3.36Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.78Å; Y86-G108 CarbonylContact O-C 3.58Å; Y86-G108 VanDerWaalsContact O-CA 3.24Å; Y86-G108 WeakPolarHBondContact O-CA 3.4Å; Y86-T109 PolarHBondContact N-O 3.07Å; Y86-T109 PolarHBondContact O-N 3.25Å; Y86-V111 HydrophobicContact CD2-CB 4.02Å; Y86-V111 HydrophobicContact CD2-CG2 3.76Å; Y86-V111 HydrophobicContact CE2-CB 3.81Å; Y86-V111 HydrophobicContact CE2-CG2 3.97Å
87	Y	94.8	Very high	84.5	Confident	48 Å²	48	56.6 Å²	56.6	19%	0.188	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	148.3	-178.7	-55.5	-87	0	0	0	110.3	W28 V29 Q31 L37 V85 V104	W28-Y87 WeakPolarHBondContact CA-O 3.2Å; V29-Y87 PolarHBondContact N-O 3.04Å; V29-Y87 PolarHBondContact O-N 2.81Å; Q31-Y87 HydrophobicContact CB-CD2 4.42Å; Q31-Y87 HydrophobicContact CB-CE2 3.72Å; Q31-Y87 PolarHBondContact OE1-OH 3.06Å; L37-Y87 HydrophobicContact CD2-CE2 4.48Å; V85-Y87 HydrophobicContact CB-CE2 3.87Å; V85-Y87 HydrophobicContact CG1-CD1 4.45Å; V85-Y87 HydrophobicContact CG1-CD2 4.38Å; V85-Y87 HydrophobicContact CG1-CE1 3.75Å; V85-Y87 HydrophobicContact CG1-CE2 3.69Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.43Å; Y87-V104 HydrophobicContact CD1-CG1 4.29Å
88	C	93.5	Very high	82.3	Confident	10 Å²	10	55.8 Å²	55.8	7%	0.068	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	144.2	159.3	59.5	0	0	0	0	110.1	C14 M26 H27 W28 W105	C14-C88 HydrophobicContact CB-CB 3.52Å; C14-C88 WeakPolarHBondContact CB-SG 3.49Å; C14-C88 WeakPolarHBondContact SG-CB 3.24Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.8Å; M26-C88 HydrophobicContact CE-CB 4.41Å; H27-C88 CarbonylContact O-C 3.53Å; H27-C88 VanDerWaalsContact O-CA 3.23Å; H27-C88 WeakPolarHBondContact O-CA 3.26Å; W28-C88 HydrophobicContact CE3-CB 4.36Å; W28-C88 HydrophobicContact CH2-CB 4.49Å; W28-C88 HydrophobicContact CZ3-CB 4.33Å; C88-W105 PolarHBondContact O-N 2.84Å; C88-W105 PolarHBondContact SG-O 3.28Å
89	A	91.8	Very high	80	Confident	5 Å²	5	62 Å²	62	4%	0.041	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	162.2	173.6	0	0	0	0	0	109.9	H27 F102 D103	H27-A89 HydrophobicContact CB-CB 4.36Å; H27-A89 PolarHBondContact N-O 3.1Å; H27-A89 PolarHBondContact O-N 3.12Å; A89-F102 HydrophobicContact CB-CB 4.08Å; A89-F102 HydrophobicContact CB-CD1 4.49Å; A89-D103 CarbonylContact C-O 3.57Å; A89-D103 WeakPolarHBondContact CA-O 2.96Å; A89-D103 WeakPolarHBondContact CB-O 2.87Å
90	R	88.8	Confident	78	Confident	42 Å²	42	69.6 Å²	69.6	16%	0.158	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	152.1	177.1	67.4	177.2	-171.2	-171.7	0.4	112	Y19 Y24 R25 M26 D103 W105	Y19-R90 VanDerWaalsContact CG-NH1 3.28Å; Y24-R90 HydrophobicContact CD1-CB 4.13Å; Y24-R90 HydrophobicContact CD1-CG 4.11Å; R25-R90 VanDerWaalsContact O-CA 3.26Å; R25-R90 WeakPolarHBondContact O-CA 3.44Å; M26-R90 HydrophobicContact SD-CB 4.07Å; R90-D103 HydrophobicContact CG-CB 3.81Å; R90-D103 IonicContact CZ-OD2 3.57Å; R90-D103 PolarHBondContact N-O 2.77Å; R90-D103 IonicContact NE-OD2 3.18Å; R90-D103 PolarHBondContact NE-OD2 3.33Å; R90-D103 IonicContact NH2-OD2 3.01Å; R90-D103 PolarHBondContact NH2-OD2 2.86Å; R90-D103 PolarHBondContact O-N 3.17Å; R90-W105 HydrophobicContact CG-CB 4.48Å
91	S	86.9	Confident	76.1	Confident	17 Å²	17	75.1 Å²	75.1	12%	0.119	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	141.5	168.6	64.4	0	0	0	0	110.7	Y24 R25 H27	Y24-S91 CarbonylContact C-O 3.54Å; Y24-S91 WeakPolarHBondContact CA-O 3.42Å; Y24-S91 WeakPolarHBondContact CD1-O 3.42Å; R25-S91 PolarHBondContact N-O 3.33Å; R25-S91 PolarHBondContact O-N 2.93Å; R25-S91 VanDerWaalsContact O-N 3.1Å; H27-S91 PolarHBondContact NE2-OG 2.85Å
92	Y	80.1	Confident	74.9	Confident	127 Å²	127	73.5 Å²	73.5	50%	0.498	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	149.5	-177.7	-164.5	-84.8	0	0	0	111.6	Y24 T94	Y24-Y92 HydrophobicContact CD1-CD2 4.37Å; Y24-Y92 AromaticContact CE1-CD2 3.58Å; Y24-Y92 HydrophobicContact CE1-CD2 3.58Å; Y24-Y92 HydrophobicContact CE1-CG 4.26Å; Y24-Y92 HydrophobicContact CE2-CD2 4.24Å; Y24-Y92 HydrophobicContact CE2-CE2 4.46Å; Y24-Y92 AromaticContact CZ-CD2 3.5Å; Y24-Y92 VanDerWaalsContact CZ-CD2 3.5Å; Y24-Y92 WeakPolarHBondContact OH-CD2 3.32Å; Y92-T94 HydrophobicContact CD1-CG2 3.45Å; Y92-T94 VanDerWaalsContact CD1-CG2 3.45Å; Y92-T94 HydrophobicContact CE1-CG2 3.53Å; Y92-T94 PolarHBondContact O-N 3.32Å
93	I	68.3	Low	73.4	Confident	67 Å²	67	75.9 Å²	75.9	34%	0.344	38%	0.383	S	S	.	.			trans	-92.9	90.2	175.1	-52.2	159.8	0	0	0	109.4	S23 H44	S23-I93 WeakPolarHBondContact O-CD1 3.4Å; S23-I93 WeakPolarHBondContact O-CG1 3.39Å; S23-I93 PolarHBondContact O-N 3.49Å; H44-I93 WeakPolarHBondContact NE2-CD1 3.46Å
94	T	62.3	Low	72	Confident	72 Å²	72	78.7 Å²	78.7	44%	0.442	40%	0.399	S	S	.	.			trans	-113.1	148.6	162.5	54.6	0	0	0	0	111.2	Y92 V96	Y92-T94 HydrophobicContact CD1-CG2 3.45Å; Y92-T94 VanDerWaalsContact CD1-CG2 3.45Å; Y92-T94 HydrophobicContact CE1-CG2 3.53Å; Y92-T94 PolarHBondContact O-N 3.32Å; T94-V96 PolarHBondContact O-N 3.11Å; T94-V96 PolarHBondContact OG1-O 2.94Å
95	T	55.8	Low	70.6	Confident	148 Å²	148	81.4 Å²	81.4	91%	0.908	41%	0.408	S	S	*	.	S	Bend	trans	-77.5	1.4	179	44.9	0	0	0	0	114
96	V	52.1	Low	69.2	Low	107 Å²	107	81.8 Å²	81.8	65%	0.648	42%	0.419	S	S	*	.	S	Bend	trans	-138.1	117.2	177.8	-97.7	0	0	0	0	108.5	T94	T94-V96 PolarHBondContact O-N 3.11Å; T94-V96 PolarHBondContact OG1-O 2.94Å
97	V	50.1	Low	68.6	Low	119 Å²	119	88.5 Å²	88.5	72%	0.721	46%	0.461	S	S	*	.			trans	47.8	67.2	169.3	-68.8	0	0	0	0	116.1	H99	V97-H99 PolarHBondContact O-N 2.8Å
98	A	50.7	Low	68.3	Low	60 Å²	60	87.2 Å²	87.2	50%	0.496	46%	0.461	S	S	.	.			trans	-72.2	67.7	161.4	0	0	0	0	0	110.1
99	H	46.3	Very low	68.3	Low	131 Å²	131	90 Å²	90	61%	0.606	48%	0.478	S	S	*	.			trans	-96.3	103.1	-179.6	-90.4	-128.9	0	0	0	109.2	V97 Y101	V97-H99 PolarHBondContact O-N 2.8Å; H99-Y101 PolarHBondContact O-N 2.81Å
100	W	52.5	Low	68.5	Low	216 Å²	216	93.5 Å²	93.5	82%	0.818	50%	0.499	S	S	*	.	S	Bend	trans	79.2	3.9	146.5	-44.3	110.8	0	0	0	122.1
101	Y	54.3	Low	68.7	Low	190 Å²	190	92 Å²	92	75%	0.745	50%	0.495	S	S	*	.			trans	-100.4	102.9	173.7	-146.5	-101.5	0	0	0	112.1	H99 D103	H99-Y101 PolarHBondContact O-N 2.81Å; Y101-D103 WeakPolarHBondContact CD1-OD1 3.44Å; Y101-D103 WeakPolarHBondContact CE1-OD1 3.33Å
102	F	65.8	Low	69.1	Low	100 Å²	100	94.2 Å²	94.2	44%	0.439	51%	0.508	S	S	.	.			trans	-91.6	114.4	166.3	-70.5	-60	0	0	0	108.8	H27 A89 V104	H27-F102 HydrophobicContact CB-CE1 4.41Å; H27-F102 AromaticContact CD2-CE1 3.62Å; H27-F102 AromaticContact CE1-CE1 3.43Å; H27-F102 VanDerWaalsContact CE1-CE1 3.43Å; H27-F102 WeakPolarHBondContact CE1-CE1 3.13Å; H27-F102 AromaticContact CE1-CZ 3.98Å; H27-F102 AromaticContact CG-CE1 3.57Å; H27-F102 AromaticContact ND1-CE1 3.42Å; H27-F102 WeakPolarHBondContact ND1-CE1 3.21Å; H27-F102 AromaticContact ND1-CZ 3.87Å; H27-F102 AromaticContact NE2-CE1 3.55Å; A89-F102 HydrophobicContact CB-CB 4.08Å; A89-F102 HydrophobicContact CB-CD1 4.49Å; F102-V104 PolarHBondContact O-N 3.32Å
103	D	64.4	Low	69.7	Low	55 Å²	55	88.5 Å²	88.5	29%	0.294	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	110.7	165.1	-75.2	-20.7	0	0	0	107.4	A89 R90 Y101 W105	A89-D103 CarbonylContact C-O 3.57Å; A89-D103 WeakPolarHBondContact CA-O 2.96Å; A89-D103 WeakPolarHBondContact CB-O 2.87Å; R90-D103 HydrophobicContact CG-CB 3.81Å; R90-D103 IonicContact CZ-OD2 3.57Å; R90-D103 PolarHBondContact N-O 2.77Å; R90-D103 IonicContact NE-OD2 3.18Å; R90-D103 PolarHBondContact NE-OD2 3.33Å; R90-D103 IonicContact NH2-OD2 3.01Å; R90-D103 PolarHBondContact NH2-OD2 2.86Å; R90-D103 PolarHBondContact O-N 3.17Å; Y101-D103 WeakPolarHBondContact CD1-OD1 3.44Å; Y101-D103 WeakPolarHBondContact CE1-OD1 3.33Å; D103-W105 PolarHBondContact O-N 3.37Å
104	V	64.5	Low	70.6	Confident	93 Å²	93	87.7 Å²	87.7	56%	0.564	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	119.2	170.5	-179.6	0	0	0	0	107.6	Y87 F102	Y87-V104 HydrophobicContact CD1-CG1 4.29Å; F102-V104 PolarHBondContact O-N 3.32Å
105	W	66.9	Low	71	Confident	64 Å²	64	92.1 Å²	92.1	24%	0.242	52%	0.52	C	S	.	.			trans	-122.8	51.6	-163.7	-150.8	69.4	0	0	0	110.5	K15 A16 S17 Y19 C88 R90 D103	K15-W105 WeakPolarHBondContact O-CH2 3.29Å; K15-W105 WeakPolarHBondContact O-CZ3 3.3Å; A16-W105 HydrophobicContact CB-CH2 4.4Å; A16-W105 HydrophobicContact CB-CZ3 4.31Å; S17-W105 VanDerWaalsContact O-CZ2 3.28Å; S17-W105 WeakPolarHBondContact O-CZ2 3.38Å; Y19-W105 HydrophobicContact CD1-CZ2 4.24Å; Y19-W105 AromaticContact CE1-CD2 3.87Å; Y19-W105 HydrophobicContact CE1-CD2 3.87Å; Y19-W105 AromaticContact CE1-CE2 3.46Å; Y19-W105 VanDerWaalsContact CE1-CE2 3.46Å; Y19-W105 HydrophobicContact CE1-CE3 4.13Å; Y19-W105 AromaticContact CE1-CH2 3.86Å; Y19-W105 HydrophobicContact CE1-CH2 3.86Å; Y19-W105 AromaticContact CE1-CZ2 3.46Å; Y19-W105 HydrophobicContact CE1-CZ2 3.46Å; Y19-W105 VanDerWaalsContact CE1-CZ2 3.46Å; Y19-W105 HydrophobicContact CE1-CZ3 4.14Å; Y19-W105 AromaticContact CE1-NE1 3.98Å; Y19-W105 VanDerWaalsContact OH-CE3 3.29Å; C88-W105 PolarHBondContact O-N 2.84Å; C88-W105 PolarHBondContact SG-O 3.28Å; R90-W105 HydrophobicContact CG-CB 4.48Å; D103-W105 PolarHBondContact O-N 3.37Å
106	G	67.6	Low	71.8	Confident	43 Å²	43	89.3 Å²	89.3	44%	0.443	50%	0.501	S	S	.	.	S	Bend	trans	171.3	158.9	176.7	0	0	0	0	0	111.9	G108	G106-G108 PolarHBondContact O-N 3.45Å
107	T	82.5	Confident	72.8	Confident	145 Å²	145	88.4 Å²	88.4	89%	0.89	49%	0.493	S	S	*	.	S	Bend	trans	-75	-3.4	177	52.9	0	0	0	0	113.5
108	G	89.3	Confident	74.1	Confident	20 Å²	20	86.7 Å²	86.7	21%	0.206	48%	0.48	C	S	.	.			trans	81	152.7	-172	0	0	0	0	0	112.6	Y86 G106	Y86-G108 CarbonylContact O-C 3.58Å; Y86-G108 VanDerWaalsContact O-CA 3.24Å; Y86-G108 WeakPolarHBondContact O-CA 3.4Å; G106-G108 PolarHBondContact O-N 3.45Å
109	T	93.6	Very high	75.4	Confident	68 Å²	68	88.2 Å²	88.2	42%	0.417	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120	175.5	-58.3	0	0	0	0	109.3	L12 Y86 V111	L12-T109 HydrophobicContact CD2-CG2 3.71Å; Y86-T109 PolarHBondContact N-O 3.07Å; Y86-T109 PolarHBondContact O-N 3.25Å; T109-V111 PolarHBondContact O-N 2.59Å
110	T	95.1	Very high	77.3	Confident	79 Å²	79	85.6 Å²	85.6	49%	0.485	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	122.4	174.4	-53.5	0	0	0	0	110.1
111	V	94.4	Very high	78.9	Confident	10 Å²	10	76.9 Å²	76.9	6%	0.061	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.8	167.8	178.7	0	0	0	0	107.4	V10 L12 L78 S83 A84 Y86 T109 V113	V10-V111 HydrophobicContact CG2-CG1 4.45Å; V10-V111 HydrophobicContact CG2-CG2 4.48Å; L12-V111 HydrophobicContact CD1-CG2 4.38Å; L12-V111 HydrophobicContact CD2-CG2 4.07Å; L78-V111 HydrophobicContact CD1-CG1 4.43Å; S83-V111 VanDerWaalsContact CA-O 3.29Å; S83-V111 WeakPolarHBondContact CA-O 3.47Å; A84-V111 PolarHBondContact N-O 3.4Å; A84-V111 PolarHBondContact O-N 3.44Å; Y86-V111 HydrophobicContact CD2-CB 4.02Å; Y86-V111 HydrophobicContact CD2-CG2 3.76Å; Y86-V111 HydrophobicContact CE2-CB 3.81Å; Y86-V111 HydrophobicContact CE2-CG2 3.97Å; T109-V111 PolarHBondContact O-N 2.59Å; V111-V113 HydrophobicContact CG1-CG2 4.38Å
112	T	94.6	Very high	80.7	Confident	64 Å²	64	68.8 Å²	68.8	39%	0.393	43%	0.427	S	S	.	.			trans	-120.8	127.4	177.1	-55.8	0	0	0	0	108.2	P3 V4	P3-T112 WeakPolarHBondContact CA-O 3.44Å; P3-T112 HydrophobicContact CB-CG2 4.45Å; V4-T112 PolarHBondContact N-O 2.77Å
113	V	92.1	Very high	81.8	Confident	7 Å²	7	66.4 Å²	66.4	4%	0.042	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	-112.6	110.4	177.2	-172.9	0	0	0	0	107.7	V4 P6 L78 T79 D82 S83 V111	V4-V113 VanDerWaalsContact O-CA 3.3Å; V4-V113 WeakPolarHBondContact O-CA 3.3Å; P6-V113 HydrophobicContact CB-CG1 4.46Å; P6-V113 HydrophobicContact CG-CG1 4.21Å; L78-V113 HydrophobicContact CB-CG1 4.38Å; L78-V113 HydrophobicContact CB-CG2 3.95Å; L78-V113 HydrophobicContact CD1-CG2 4.14Å; L78-V113 HydrophobicContact CG-CG2 4.47Å; T79-V113 WeakPolarHBondContact O-CB 3.5Å; T79-V113 WeakPolarHBondContact O-CG2 3.38Å; D82-V113 HydrophobicContact CB-CG2 4.4Å; S83-V113 PolarHBondContact OG-N 2.93Å; V111-V113 HydrophobicContact CG1-CG2 4.38Å
114	S	87	Confident	83.3	Confident	51 Å²	51	67.3 Å²	67.3	36%	0.357	44%	0.437	S	S	.	.			trans	-81.5	136.9	179.4	54.6	0	0	0	0	110.2	V4 P6	V4-S114 PolarHBondContact O-N 2.63Å; V4-S114 VanDerWaalsContact O-N 3.15Å; P6-S114 WeakPolarHBondContact CD-O 3.42Å; P6-S114 WeakPolarHBondContact CG-O 2.88Å
115	S	71.6	Confident	85	Confident	164 Å²	164	65 Å²	65	100%	1.147	43%	0.426	S	S	*	.			trans	-64.6	0	171.8	56.8	0	0	0	0	112.5

Retrieved 115 of 115 residues in 37.7 ms (Link to these results)

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