X5J5T6_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5T6, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 96 aa.

						>X5J5T6_MOUSE|X5J5T6
SCKASGYAFSSSWMNWVKQRPGKGLEWIGRIYPGDGDTNYNGKFKGKATLTADKSSSTAYMQLSSLTSEDSAVYFCARGDGFLAYWGQGTLVTVSA
					

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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	S	96.8	Very high	93.7	Very high	108 Å²	108	66.6 Å²	66.6	76%	0.755	44%	0.444	S	S	*	.				0	165.5	0	51.1	0	0	0	0	109	A59 Y60	S1-A59 CarbonylContact C-O 3.59Å; S1-A59 VanDerWaalsContact CA-O 3.28Å; S1-A59 WeakPolarHBondContact CA-O 3.45Å; S1-Y60 VanDerWaalsContact CB-CD1 3.48Å
2	C	97.1	Very high	93.5	Very high	17 Å²	17	62.8 Å²	62.8	12%	0.115	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	113.2	176.5	177.4	0	0	0	0	109	W16 T58 A59 C76	C2-W16 HydrophobicContact CB-CH2 3.7Å; C2-W16 HydrophobicContact CB-CZ2 4.06Å; C2-W16 HydrophobicContact CB-CZ3 4.49Å; C2-T58 WeakPolarHBondContact O-CA 3.31Å; C2-A59 PolarHBondContact N-O 3.24Å; C2-A59 PolarHBondContact O-N 3.21Å; C2-C76 HydrophobicContact CB-CB 3.38Å; C2-C76 WeakPolarHBondContact CB-SG 3.02Å; C2-C76 WeakPolarHBondContact SG-CB 3.43Å; C2-C76 CovalentContact SG-SG 2.03Å; C2-C76 PolarHBondContact SG-SG 2.86Å
3	K	96.8	Very high	93.6	Very high	159 Å²	159	60.7 Å²	60.7	69%	0.691	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	125.3	179.3	-174	173.6	-176.2	177.3	0	109.7
4	A	94.4	Very high	93.8	Very high	11 Å²	11	56.6 Å²	56.6	9%	0.091	37%	0.37	C	S	.	.			trans	-85.1	150.1	176.2	0	0	0	0	0	111.5	Y7 F9 M14 S57	A4-Y7 HydrophobicContact CB-CE1 3.79Å; A4-Y7 HydrophobicContact CB-CE2 4.33Å; A4-Y7 WeakPolarHBondContact CB-OH 3.45Å; A4-F9 HydrophobicContact CB-CB 4.17Å; A4-F9 HydrophobicContact CB-CD2 3.38Å; A4-F9 HydrophobicContact CB-CE2 4.07Å; A4-F9 HydrophobicContact CB-CG 4.06Å; A4-M14 HydrophobicContact CB-CE 4.5Å; A4-S57 PolarHBondContact N-O 3.24Å
5	S	92.8	Very high	94	Very high	103 Å²	103	53.3 Å²	53.3	72%	0.72	35%	0.348	S	S	*	.			trans	-149.3	152.5	174.2	59.9	0	0	0	0	110.5	Y7	S5-Y7 WeakPolarHBondContact O-CD1 3.27Å; S5-Y7 PolarHBondContact O-N 3.02Å
6	G	90.6	Very high	94.3	Very high	87 Å²	87	50.8 Å²	50.8	90%	0.897	33%	0.329	S	S	*	.	S	Bend	trans	78.2	12.8	174.3	0	0	0	0	0	116
7	Y	88.3	Confident	94.4	Very high	59 Å²	59	48.1 Å²	48.1	23%	0.231	31%	0.311	C	S	.	.	S	Bend	trans	-159.5	169.3	173.8	65.9	-84.4	0	0	0	112.2	A4 S5 F9 M14 R78	A4-Y7 HydrophobicContact CB-CE1 3.79Å; A4-Y7 HydrophobicContact CB-CE2 4.33Å; A4-Y7 WeakPolarHBondContact CB-OH 3.45Å; S5-Y7 WeakPolarHBondContact O-CD1 3.27Å; S5-Y7 PolarHBondContact O-N 3.02Å; Y7-F9 HydrophobicContact CE2-CB 4.49Å; Y7-F9 HydrophobicContact CE2-CD2 4.48Å; Y7-F9 PolarHBondContact O-N 3.25Å; Y7-M14 VanDerWaalsContact OH-CE 3.23Å; Y7-M14 WeakPolarHBondContact OH-CE 3.28Å; Y7-R78 HydrophobicContact CE2-CG 4.41Å; Y7-R78 VanDerWaalsContact CZ-CD 3.48Å
8	A	92.1	Very high	94.5	Very high	59 Å²	59	45.6 Å²	45.6	49%	0.488	30%	0.295	S	S	.	.			trans	-71	97.7	172.8	0	0	0	0	0	110.8	S10 S11	A8-S10 VanDerWaalsContact C-N 3.28Å; A8-S10 PolarHBondContact O-N 2.8Å; A8-S11 VanDerWaalsContact CB-OG 3.32Å; A8-S11 WeakPolarHBondContact CB-OG 3.48Å; A8-S11 PolarHBondContact O-N 2.98Å; A8-S11 VanDerWaalsContact O-N 3.16Å; A8-S11 PolarHBondContact O-OG 2.76Å; A8-S11 VanDerWaalsContact O-OG 3.1Å
9	F	94	Very high	94.7	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.026	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-58.4	-37.7	-176.8	175.2	-112.7	0	0	0	113.4	A4 Y7 S11 S12 M14 P33 A52 S57 A59	A4-F9 HydrophobicContact CB-CB 4.17Å; A4-F9 HydrophobicContact CB-CD2 3.38Å; A4-F9 HydrophobicContact CB-CE2 4.07Å; A4-F9 HydrophobicContact CB-CG 4.06Å; Y7-F9 HydrophobicContact CE2-CB 4.49Å; Y7-F9 HydrophobicContact CE2-CD2 4.48Å; Y7-F9 PolarHBondContact O-N 3.25Å; F9-S11 PolarHBondContact O-N 3.15Å; F9-S12 PolarHBondContact O-N 3.26Å; F9-M14 HydrophobicContact CD2-CE 4.45Å; F9-M14 HydrophobicContact CE2-CE 4.01Å; F9-P33 HydrophobicContact CD1-CB 3.82Å; F9-P33 HydrophobicContact CD1-CG 4.05Å; F9-P33 HydrophobicContact CD2-CG 4.13Å; F9-P33 HydrophobicContact CE1-CB 3.45Å; F9-P33 VanDerWaalsContact CE1-CB 3.45Å; F9-P33 HydrophobicContact CE1-CG 3.6Å; F9-P33 HydrophobicContact CE2-CB 4.44Å; F9-P33 HydrophobicContact CE2-CG 3.67Å; F9-P33 HydrophobicContact CG-CB 4.48Å; F9-P33 HydrophobicContact CG-CG 4.32Å; F9-P33 HydrophobicContact CZ-CB 3.8Å; F9-P33 HydrophobicContact CZ-CG 3.39Å; F9-P33 WeakPolarHBondContact O-CG 3.43Å; F9-A52 HydrophobicContact CE1-CB 4.1Å; F9-A52 HydrophobicContact CZ-CB 4.03Å; F9-S57 VanDerWaalsContact CD1-CA 3.47Å; F9-A59 HydrophobicContact CE2-CB 4.2Å; F9-A59 HydrophobicContact CZ-CB 3.95Å
10	S	94.7	Very high	94.7	Very high	57 Å²	57	48.2 Å²	48.2	40%	0.399	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-69.1	-11.3	179.8	52.5	0	0	0	0	114.8	A8 G34	A8-S10 VanDerWaalsContact C-N 3.28Å; A8-S10 PolarHBondContact O-N 2.8Å; S10-G34 WeakPolarHBondContact O-CA 3.49Å; S10-G34 PolarHBondContact O-N 2.81Å; S10-G34 VanDerWaalsContact O-N 3.11Å
11	S	92.7	Very high	94.6	Very high	67 Å²	67	51.6 Å²	51.6	47%	0.469	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-113.1	20.6	-179.1	65.2	0	0	0	0	113.7	A8 F9 Y32	A8-S11 VanDerWaalsContact CB-OG 3.32Å; A8-S11 WeakPolarHBondContact CB-OG 3.48Å; A8-S11 PolarHBondContact O-N 2.98Å; A8-S11 VanDerWaalsContact O-N 3.16Å; A8-S11 PolarHBondContact O-OG 2.76Å; A8-S11 VanDerWaalsContact O-OG 3.1Å; F9-S11 PolarHBondContact O-N 3.15Å; S11-Y32 VanDerWaalsContact C-CE2 3.45Å; S11-Y32 WeakPolarHBondContact CA-OH 3.24Å
12	S	92.1	Very high	94.4	Very high	20 Å²	20	50.6 Å²	50.6	14%	0.14	33%	0.325	C	S	.	.	S	Bend	trans	-140.8	136.1	-176.3	-70.1	0	0	0	0	112.3	F9 M14 P33	F9-S12 PolarHBondContact O-N 3.26Å; S12-M14 PolarHBondContact O-N 3.12Å; S12-P33 WeakPolarHBondContact O-CD 3.45Å
13	W	94.8	Very high	94.2	Very high	36 Å²	36	56.3 Å²	56.3	14%	0.136	35%	0.348	C	S	.	.			trans	-64.4	128.9	171.9	-73	103.6	0	0	0	111.5	R30 Y32 D37 R78 G79	W13-R30 HydrophobicContact CD2-CG 4.33Å; W13-R30 HydrophobicContact CE3-CB 4.02Å; W13-R30 HydrophobicContact CE3-CG 3.51Å; W13-R30 HydrophobicContact CZ3-CG 3.75Å; W13-Y32 AromaticContact CD2-CD2 3.96Å; W13-Y32 HydrophobicContact CD2-CD2 3.96Å; W13-Y32 HydrophobicContact CD2-CG 4.36Å; W13-Y32 AromaticContact CE2-CD2 3.93Å; W13-Y32 HydrophobicContact CE3-CD2 4.49Å; W13-Y32 VanDerWaalsContact CE3-N 3.29Å; W13-Y32 HydrophobicContact CG-CD2 4.12Å; W13-Y32 HydrophobicContact CH2-CG 4.49Å; W13-Y32 HydrophobicContact CZ2-CD2 4.44Å; W13-Y32 HydrophobicContact CZ2-CG 4.31Å; W13-Y32 VanDerWaalsContact CZ3-CB 3.45Å; W13-D37 HydrophobicContact CH2-CB 4.01Å; W13-D37 WeakPolarHBondContact CH2-OD2 3.4Å; W13-R78 WeakPolarHBondContact O-CA 3.37Å; W13-G79 WeakPolarHBondContact CB-O 3.37Å; W13-G79 PolarHBondContact O-N 2.78Å; W13-G79 VanDerWaalsContact O-N 3.17Å
14	M	96.3	Very high	94	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.02	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	120.4	169	-172.8	60.8	67.8	0	0	109.5	A4 Y7 F9 S12 R30 I31 A59 C76	A4-M14 HydrophobicContact CB-CE 4.5Å; Y7-M14 VanDerWaalsContact OH-CE 3.23Å; Y7-M14 WeakPolarHBondContact OH-CE 3.28Å; F9-M14 HydrophobicContact CD2-CE 4.45Å; F9-M14 HydrophobicContact CE2-CE 4.01Å; S12-M14 PolarHBondContact O-N 3.12Å; M14-R30 CarbonylContact O-C 3.43Å; M14-R30 WeakPolarHBondContact O-CA 3.26Å; M14-R30 WeakPolarHBondContact O-CB 3.33Å; M14-I31 HydrophobicContact CB-CG2 4.09Å; M14-I31 PolarHBondContact N-O 2.87Å; M14-I31 PolarHBondContact O-N 2.85Å; M14-A59 HydrophobicContact CB-CB 4.15Å; M14-A59 HydrophobicContact CG-CB 3.61Å; M14-C76 HydrophobicContact SD-CB 3.87Å
15	N	97	Very high	94.1	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.037	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	149.3	-177.4	-61.5	-98.2	0	0	0	109.9	W27 G29 R30 C76 A77 G79 L83	N15-W27 PolarHBondContact OD1-NE1 2.63Å; N15-W27 VanDerWaalsContact OD1-NE1 3.07Å; N15-G29 CarbonylContact C-O 3.37Å; N15-G29 WeakPolarHBondContact CA-O 3.41Å; N15-R30 HydrophobicContact CB-CB 4.37Å; N15-R30 WeakPolarHBondContact OD1-CB 3.44Å; N15-C76 CarbonylContact O-C 3.58Å; N15-C76 VanDerWaalsContact O-CA 3.24Å; N15-C76 WeakPolarHBondContact O-CA 3.37Å; N15-A77 WeakPolarHBondContact CA-O 3.42Å; N15-A77 HydrophobicContact CB-CB 4.5Å; N15-A77 WeakPolarHBondContact CB-O 3.48Å; N15-A77 PolarHBondContact N-O 3.09Å; N15-A77 PolarHBondContact ND2-O 3.14Å; N15-A77 PolarHBondContact O-N 3.11Å; N15-G79 PolarHBondContact ND2-O 2.82Å; N15-L83 HydrophobicContact CB-CD2 3.7Å; N15-L83 VanDerWaalsContact CG-CD2 3.4Å; N15-L83 VanDerWaalsContact ND2-CD2 3.26Å; N15-L83 WeakPolarHBondContact ND2-CD2 3.46Å
16	W	97.6	Very high	94.2	Very high	13 Å²	13	52.2 Å²	52.2	5%	0.049	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.3	173.2	-67.7	93.5	0	0	0	109.8	C2 I28 G29 L50 A59 M61 F75 C76	C2-W16 HydrophobicContact CB-CH2 3.7Å; C2-W16 HydrophobicContact CB-CZ2 4.06Å; C2-W16 HydrophobicContact CB-CZ3 4.49Å; W16-I28 HydrophobicContact CB-CB 4.1Å; W16-I28 HydrophobicContact CB-CD1 4.37Å; W16-I28 WeakPolarHBondContact O-CB 3.13Å; W16-I28 PolarHBondContact O-N 2.91Å; W16-G29 PolarHBondContact N-O 3.07Å; W16-L50 VanDerWaalsContact CD1-CD2 3.44Å; W16-L50 HydrophobicContact CG-CD2 4.08Å; W16-A59 HydrophobicContact CZ2-CB 4.26Å; W16-M61 HydrophobicContact CB-SD 3.79Å; W16-M61 HydrophobicContact CD2-CB 3.65Å; W16-M61 HydrophobicContact CD2-CE 4.24Å; W16-M61 HydrophobicContact CD2-CG 4.4Å; W16-M61 HydrophobicContact CD2-SD 3.98Å; W16-M61 HydrophobicContact CE3-CB 4Å; W16-M61 HydrophobicContact CE3-CE 3.74Å; W16-M61 HydrophobicContact CE3-SD 4.09Å; W16-M61 HydrophobicContact CG-CB 4.11Å; W16-M61 HydrophobicContact CG-CG 4.5Å; W16-M61 HydrophobicContact CG-SD 3.87Å; W16-M61 HydrophobicContact CH2-CB 4.2Å; W16-M61 HydrophobicContact CZ2-CB 3.88Å; W16-M61 HydrophobicContact CZ3-CB 4.25Å; W16-M61 HydrophobicContact CZ3-CE 4.26Å; W16-F75 WeakPolarHBondContact CA-O 3.37Å; W16-C76 HydrophobicContact CE3-CB 4.2Å; W16-C76 HydrophobicContact CH2-CB 4.22Å; W16-C76 HydrophobicContact CZ3-CB 4.04Å
17	V	97	Very high	94.4	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.024	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	140.9	-174.9	-175.9	0	0	0	0	108.9	L25 E26 Y74 F75 L83 W86	V17-L25 HydrophobicContact CG1-CB 3.8Å; V17-L25 HydrophobicContact CG1-CD2 3.82Å; V17-L25 HydrophobicContact CG1-CG 4.31Å; V17-E26 CarbonylContact C-O 3.46Å; V17-E26 WeakPolarHBondContact CA-O 3.4Å; V17-E26 WeakPolarHBondContact CG1-O 3.15Å; V17-Y74 CarbonylContact O-C 3.59Å; V17-Y74 WeakPolarHBondContact O-CA 3.39Å; V17-F75 PolarHBondContact N-O 2.76Å; V17-F75 PolarHBondContact O-N 3.06Å; V17-L83 HydrophobicContact CG2-CD1 4.02Å; V17-W86 HydrophobicContact CB-CH2 4.1Å; V17-W86 HydrophobicContact CB-CZ3 3.82Å; V17-W86 HydrophobicContact CG1-CH2 4.05Å; V17-W86 HydrophobicContact CG1-CZ3 4.04Å; V17-W86 HydrophobicContact CG2-CH2 3.78Å; V17-W86 HydrophobicContact CG2-CZ3 3.86Å
18	K	96.2	Very high	94.9	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.017	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	141.5	177.1	132.5	177.4	172.6	-178.5	0	110	R20 E26 I28 F44 D70 A72 V73 Y74	K18-R20 VanDerWaalsContact NZ-NH2 3.2Å; K18-E26 WeakPolarHBondContact CE-OE2 3.49Å; K18-E26 HydrophobicContact CG-CB 4.38Å; K18-E26 PolarHBondContact N-O 2.84Å; K18-E26 PolarHBondContact O-N 3.06Å; K18-I28 HydrophobicContact CB-CD1 3.82Å; K18-I28 HydrophobicContact CB-CG1 4.18Å; K18-F44 HydrophobicContact CD-CE1 3.87Å; K18-F44 HydrophobicContact CD-CZ 3.9Å; K18-D70 IonicContact NZ-OD1 3.83Å; K18-D70 PolarHBondContact NZ-OD1 2.93Å; K18-A72 HydrophobicContact CD-CB 4.25Å; K18-A72 HydrophobicContact CG-CB 3.89Å; K18-V73 CarbonylContact C-O 3.46Å; K18-V73 WeakPolarHBondContact CA-O 3.42Å; K18-Y74 HydrophobicContact CB-CD1 3.88Å; K18-Y74 HydrophobicContact CB-CE1 3.75Å; K18-Y74 HydrophobicContact CD-CE1 4.1Å; K18-Y74 HydrophobicContact CG-CE1 4.44Å
19	Q	97.2	Very high	95.1	Very high	76 Å²	76	46 Å²	46	36%	0.355	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	116.7	172.9	-165	-178.2	24.7	0	0	110.3	L25 A72 V73 F75	Q19-L25 HydrophobicContact CB-CD2 3.93Å; Q19-L25 HydrophobicContact CG-CD2 4.11Å; Q19-A72 WeakPolarHBondContact O-CA 3.41Å; Q19-A72 VanDerWaalsContact O-CB 3.27Å; Q19-A72 WeakPolarHBondContact O-CB 3.38Å; Q19-V73 PolarHBondContact N-O 3.24Å; Q19-V73 PolarHBondContact O-N 3.48Å; Q19-F75 HydrophobicContact CB-CE2 3.83Å
20	R	95.4	Very high	95.2	Very high	67 Å²	67	48.5 Å²	48.5	25%	0.253	28%	0.281	S	S	.	.			trans	-84.9	151	170.8	-69.3	170.7	172.3	158.8	-10.7	110.3	K18 G22 K23 E26 E69 A72	K18-R20 VanDerWaalsContact NZ-NH2 3.2Å; R20-G22 PolarHBondContact O-N 2.84Å; R20-K23 HydrophobicContact CB-CB 3.96Å; R20-K23 HydrophobicContact CB-CG 3.91Å; R20-K23 PolarHBondContact O-N 2.78Å; R20-E26 IonicContact CZ-OE2 3.62Å; R20-E26 IonicContact NH1-OE2 2.92Å; R20-E69 PolarHBondContact NE-O 3.13Å; R20-E69 PolarHBondContact NH2-O 2.86Å; R20-A72 HydrophobicContact CG-CB 4.12Å
21	P	91.9	Very high	95.3	Very high	119 Å²	119	46 Å²	46	77%	0.773	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	127.4	172.2	-25.7	34.8	0	0	0	111.4	K23	P21-K23 PolarHBondContact O-N 2.82Å
22	G	92.5	Very high	95.5	Very high	87 Å²	87	45.7 Å²	45.7	90%	0.897	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	11.8	-180	0	0	0	0	0	115.7	R20	R20-G22 PolarHBondContact O-N 2.84Å
23	K	93.8	Very high	95.7	Very high	138 Å²	138	44.9 Å²	44.9	60%	0.6	25%	0.246	S	C	*	.	S	Bend	trans	-119	160.1	175.5	-57.9	-63.7	-178	-176.5	0	111.3	R20 P21	R20-K23 HydrophobicContact CB-CB 3.96Å; R20-K23 HydrophobicContact CB-CG 3.91Å; R20-K23 PolarHBondContact O-N 2.78Å; P21-K23 PolarHBondContact O-N 2.82Å
24	G	93.4	Very high	95.8	Very high	54 Å²	54	44.3 Å²	44.3	56%	0.557	25%	0.252	S	S	*	.			trans	-68.3	173.9	172.9	0	0	0	0	0	112.9
25	L	94.9	Very high	95.7	Very high	98 Å²	98	49.5 Å²	49.5	51%	0.513	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	130.6	174	-66.9	169.9	0	0	0	110.5	V17 Q19 W86	V17-L25 HydrophobicContact CG1-CB 3.8Å; V17-L25 HydrophobicContact CG1-CD2 3.82Å; V17-L25 HydrophobicContact CG1-CG 4.31Å; Q19-L25 HydrophobicContact CB-CD2 3.93Å; Q19-L25 HydrophobicContact CG-CD2 4.11Å; L25-W86 HydrophobicContact CD1-CH2 3.94Å; L25-W86 HydrophobicContact CD1-CZ2 4.45Å
26	E	95.7	Very high	95.7	Very high	35 Å²	35	51 Å²	51	16%	0.164	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	111.9	174.7	-62.4	-172.1	90.2	0	0	109.2	V17 K18 R20 I28 K43 F44	V17-E26 CarbonylContact C-O 3.46Å; V17-E26 WeakPolarHBondContact CA-O 3.4Å; V17-E26 WeakPolarHBondContact CG1-O 3.15Å; K18-E26 WeakPolarHBondContact CE-OE2 3.49Å; K18-E26 HydrophobicContact CG-CB 4.38Å; K18-E26 PolarHBondContact N-O 2.84Å; K18-E26 PolarHBondContact O-N 3.06Å; R20-E26 IonicContact CZ-OE2 3.62Å; R20-E26 IonicContact NH1-OE2 2.92Å; E26-I28 PolarHBondContact O-N 3.49Å; E26-K43 IonicContact OE1-NZ 3.99Å; E26-F44 HydrophobicContact CB-CE2 4.4Å; E26-F44 HydrophobicContact CB-CZ 4.33Å
27	W	95.9	Very high	95.6	Very high	75 Å²	75	54.6 Å²	54.6	28%	0.284	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	127.1	175	-177.9	82.5	0	0	0	110.3	N15 G29 R30 N39 N41	N15-W27 PolarHBondContact OD1-NE1 2.63Å; N15-W27 VanDerWaalsContact OD1-NE1 3.07Å; W27-G29 VanDerWaalsContact CZ2-CA 3.4Å; W27-G29 PolarHBondContact NE1-O 3.28Å; W27-R30 HydrophobicContact CH2-CG 4.49Å; W27-R30 HydrophobicContact CZ2-CB 3.9Å; W27-R30 HydrophobicContact CZ2-CG 3.75Å; W27-N39 HydrophobicContact CH2-CB 4.34Å; W27-N39 WeakPolarHBondContact CH2-OD1 3.42Å; W27-N41 HydrophobicContact CE3-CB 3.75Å; W27-N41 HydrophobicContact CZ3-CB 3.96Å; W27-N41 VanDerWaalsContact CZ3-N 3.34Å; W27-N41 WeakPolarHBondContact O-CB 3.41Å; W27-N41 PolarHBondContact O-ND2 3.22Å
28	I	96.8	Very high	95.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-48.8	-176.8	-62.6	174.2	0	0	0	110.1	W16 K18 E26 N41 F44 A48 M61 Y74	W16-I28 HydrophobicContact CB-CB 4.1Å; W16-I28 HydrophobicContact CB-CD1 4.37Å; W16-I28 WeakPolarHBondContact O-CB 3.13Å; W16-I28 PolarHBondContact O-N 2.91Å; K18-I28 HydrophobicContact CB-CD1 3.82Å; K18-I28 HydrophobicContact CB-CG1 4.18Å; E26-I28 PolarHBondContact O-N 3.49Å; I28-N41 WeakPolarHBondContact O-CB 3.18Å; I28-N41 PolarHBondContact O-N 3.27Å; I28-F44 HydrophobicContact CB-CD2 4.34Å; I28-F44 HydrophobicContact CB-CG 4.23Å; I28-F44 HydrophobicContact CG1-CD1 4.1Å; I28-F44 HydrophobicContact CG1-CD2 4.27Å; I28-F44 HydrophobicContact CG1-CE1 4.04Å; I28-F44 HydrophobicContact CG1-CE2 4.19Å; I28-F44 HydrophobicContact CG1-CG 4.21Å; I28-F44 HydrophobicContact CG1-CZ 4.08Å; I28-F44 HydrophobicContact CG2-CB 3.79Å; I28-F44 HydrophobicContact CG2-CD1 4.12Å; I28-F44 HydrophobicContact CG2-CD2 4.43Å; I28-F44 HydrophobicContact CG2-CG 3.87Å; I28-A48 HydrophobicContact CG2-CB 3.78Å; I28-M61 HydrophobicContact CD1-CE 4.19Å; I28-M61 HydrophobicContact CD1-SD 3.73Å; I28-M61 HydrophobicContact CG2-SD 4.03Å; I28-Y74 HydrophobicContact CD1-CD1 3.71Å; I28-Y74 HydrophobicContact CD1-CE1 3.76Å
29	G	96.7	Very high	95.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.7	178.8	-173.8	0	0	0	0	0	111.8	N15 W16 W27 N39	N15-G29 CarbonylContact C-O 3.37Å; N15-G29 WeakPolarHBondContact CA-O 3.41Å; W16-G29 PolarHBondContact N-O 3.07Å; W27-G29 VanDerWaalsContact CZ2-CA 3.4Å; W27-G29 PolarHBondContact NE1-O 3.28Å; G29-N39 CarbonylContact C-O 3.58Å; G29-N39 WeakPolarHBondContact CA-O 3.2Å
30	R	96.6	Very high	95.6	Very high	57 Å²	57	59.3 Å²	59.3	22%	0.215	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	155.4	175.9	68.2	-173.6	179.4	166.2	3.1	111.8	W13 M14 N15 W27 T38 N39 D80	W13-R30 HydrophobicContact CD2-CG 4.33Å; W13-R30 HydrophobicContact CE3-CB 4.02Å; W13-R30 HydrophobicContact CE3-CG 3.51Å; W13-R30 HydrophobicContact CZ3-CG 3.75Å; M14-R30 CarbonylContact O-C 3.43Å; M14-R30 WeakPolarHBondContact O-CA 3.26Å; M14-R30 WeakPolarHBondContact O-CB 3.33Å; N15-R30 HydrophobicContact CB-CB 4.37Å; N15-R30 WeakPolarHBondContact OD1-CB 3.44Å; W27-R30 HydrophobicContact CH2-CG 4.49Å; W27-R30 HydrophobicContact CZ2-CB 3.9Å; W27-R30 HydrophobicContact CZ2-CG 3.75Å; R30-T38 VanDerWaalsContact O-CA 3.31Å; R30-T38 WeakPolarHBondContact O-CA 3.11Å; R30-N39 HydrophobicContact CG-CB 4.12Å; R30-N39 PolarHBondContact N-O 3.45Å; R30-N39 PolarHBondContact O-N 2.9Å; R30-D80 IonicContact CZ-OD1 3.79Å; R30-D80 IonicContact NH1-OD1 2.78Å; R30-D80 PolarHBondContact NH1-OD1 2.85Å
31	I	97.3	Very high	95.6	Very high	5 Å²	5	58.4 Å²	58.4	3%	0.026	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.3	172.9	-175.8	166.3	0	0	0	109.6	M14 P33 D37 T38 L50 T51 A52	M14-I31 HydrophobicContact CB-CG2 4.09Å; M14-I31 PolarHBondContact N-O 2.87Å; M14-I31 PolarHBondContact O-N 2.85Å; I31-P33 WeakPolarHBondContact O-CD 3.37Å; I31-D37 CarbonylContact C-O 3.47Å; I31-D37 VanDerWaalsContact CA-O 3.29Å; I31-D37 WeakPolarHBondContact CA-O 3.38Å; I31-T38 HydrophobicContact CB-CG2 3.98Å; I31-T38 HydrophobicContact CD1-CG2 3.96Å; I31-T38 HydrophobicContact CG1-CG2 3.8Å; I31-L50 HydrophobicContact CB-CB 4.16Å; I31-L50 HydrophobicContact CG2-CB 4.46Å; I31-T51 VanDerWaalsContact CD1-C 3.49Å; I31-A52 HydrophobicContact CD1-CB 3.92Å
32	Y	96.6	Very high	95.6	Very high	61 Å²	61	55.6 Å²	55.6	24%	0.239	34%	0.336	C	S	.	.			trans	-96.6	108.7	167.4	-169.1	-112.7	0	0	0	108.5	S11 W13 G34 D35 G36 D37	S11-Y32 VanDerWaalsContact C-CE2 3.45Å; S11-Y32 WeakPolarHBondContact CA-OH 3.24Å; W13-Y32 AromaticContact CD2-CD2 3.96Å; W13-Y32 HydrophobicContact CD2-CD2 3.96Å; W13-Y32 HydrophobicContact CD2-CG 4.36Å; W13-Y32 AromaticContact CE2-CD2 3.93Å; W13-Y32 HydrophobicContact CE3-CD2 4.49Å; W13-Y32 VanDerWaalsContact CE3-N 3.29Å; W13-Y32 HydrophobicContact CG-CD2 4.12Å; W13-Y32 HydrophobicContact CH2-CG 4.49Å; W13-Y32 HydrophobicContact CZ2-CD2 4.44Å; W13-Y32 HydrophobicContact CZ2-CG 4.31Å; W13-Y32 VanDerWaalsContact CZ3-CB 3.45Å; Y32-G34 PolarHBondContact O-N 2.92Å; Y32-G34 VanDerWaalsContact O-N 3.09Å; Y32-D35 WeakPolarHBondContact CD1-OD1 3.49Å; Y32-G36 VanDerWaalsContact O-CA 3.29Å; Y32-G36 WeakPolarHBondContact O-CA 3.41Å; Y32-G36 PolarHBondContact O-N 2.9Å; Y32-D37 PolarHBondContact N-O 2.87Å
33	P	96.5	Very high	95.6	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.013	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-15.3	-174.7	-21.7	34.5	0	0	0	113.9	F9 S12 I31 A52 K54	F9-P33 HydrophobicContact CD1-CB 3.82Å; F9-P33 HydrophobicContact CD1-CG 4.05Å; F9-P33 HydrophobicContact CD2-CG 4.13Å; F9-P33 HydrophobicContact CE1-CB 3.45Å; F9-P33 VanDerWaalsContact CE1-CB 3.45Å; F9-P33 HydrophobicContact CE1-CG 3.6Å; F9-P33 HydrophobicContact CE2-CB 4.44Å; F9-P33 HydrophobicContact CE2-CG 3.67Å; F9-P33 HydrophobicContact CG-CB 4.48Å; F9-P33 HydrophobicContact CG-CG 4.32Å; F9-P33 HydrophobicContact CZ-CB 3.8Å; F9-P33 HydrophobicContact CZ-CG 3.39Å; F9-P33 WeakPolarHBondContact O-CG 3.43Å; S12-P33 WeakPolarHBondContact O-CD 3.45Å; I31-P33 WeakPolarHBondContact O-CD 3.37Å; P33-A52 HydrophobicContact CB-CB 3.78Å; P33-A52 HydrophobicContact CG-CB 4.08Å; P33-K54 WeakPolarHBondContact O-CD 3.46Å; P33-K54 WeakPolarHBondContact O-CE 3.23Å; P33-K54 WeakPolarHBondContact O-CG 2.99Å
34	G	95.8	Very high	95.5	Very high	24 Å²	24	52.3 Å²	52.3	25%	0.247	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-47.7	-178.9	0	0	0	0	0	113.4	S10 Y32 K54	S10-G34 WeakPolarHBondContact O-CA 3.49Å; S10-G34 PolarHBondContact O-N 2.81Å; S10-G34 VanDerWaalsContact O-N 3.11Å; Y32-G34 PolarHBondContact O-N 2.92Å; Y32-G34 VanDerWaalsContact O-N 3.09Å; G34-K54 PolarHBondContact O-NZ 3.17Å
35	D	95.9	Very high	95.4	Very high	113 Å²	113	57.5 Å²	57.5	60%	0.604	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.7	-8.4	-178.5	54.7	21.4	0	0	0	113.2	Y32 D37	Y32-D35 WeakPolarHBondContact CD1-OD1 3.49Å; D35-D37 VanDerWaalsContact OD1-CB 3.28Å; D35-D37 WeakPolarHBondContact OD1-CB 3.33Å; D35-D37 PolarHBondContact OD1-N 3.45Å
36	G	96.1	Very high	95.2	Very high	39 Å²	39	56.1 Å²	56.1	40%	0.402	31%	0.314	S	S	.	.			trans	83.6	11.4	-177.9	0	0	0	0	0	113.7	Y32 T38	Y32-G36 VanDerWaalsContact O-CA 3.29Å; Y32-G36 WeakPolarHBondContact O-CA 3.41Å; Y32-G36 PolarHBondContact O-N 2.9Å; G36-T38 PolarHBondContact O-N 2.91Å
37	D	96.4	Very high	95.1	Very high	88 Å²	88	57.8 Å²	57.8	47%	0.471	32%	0.32	S	S	.	.			trans	-59.6	137.8	176.2	-172.7	22.4	0	0	0	110.5	W13 I31 Y32 D35	W13-D37 HydrophobicContact CH2-CB 4.01Å; W13-D37 WeakPolarHBondContact CH2-OD2 3.4Å; I31-D37 CarbonylContact C-O 3.47Å; I31-D37 VanDerWaalsContact CA-O 3.29Å; I31-D37 WeakPolarHBondContact CA-O 3.38Å; Y32-D37 PolarHBondContact N-O 2.87Å; D35-D37 VanDerWaalsContact OD1-CB 3.28Å; D35-D37 WeakPolarHBondContact OD1-CB 3.33Å; D35-D37 PolarHBondContact OD1-N 3.45Å
38	T	97	Very high	95.1	Very high	48 Å²	48	54.4 Å²	54.4	29%	0.294	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	140.2	-176.9	54.1	0	0	0	0	111.3	R30 I31 G36 Y40 L50	R30-T38 VanDerWaalsContact O-CA 3.31Å; R30-T38 WeakPolarHBondContact O-CA 3.11Å; I31-T38 HydrophobicContact CB-CG2 3.98Å; I31-T38 HydrophobicContact CD1-CG2 3.96Å; I31-T38 HydrophobicContact CG1-CG2 3.8Å; G36-T38 PolarHBondContact O-N 2.91Å; T38-Y40 WeakPolarHBondContact OG1-CE2 3.01Å; T38-L50 HydrophobicContact CG2-CB 4.18Å
39	N	95.8	Very high	95.1	Very high	80 Å²	80	57.5 Å²	57.5	43%	0.428	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	139.1	171.6	-172.8	-125.4	0	0	0	110	W27 G29 R30	W27-N39 HydrophobicContact CH2-CB 4.34Å; W27-N39 WeakPolarHBondContact CH2-OD1 3.42Å; G29-N39 CarbonylContact C-O 3.58Å; G29-N39 WeakPolarHBondContact CA-O 3.2Å; R30-N39 HydrophobicContact CG-CB 4.12Å; R30-N39 PolarHBondContact N-O 3.45Å; R30-N39 PolarHBondContact O-N 2.9Å
40	Y	96.5	Very high	95.2	Very high	56 Å²	56	57.9 Å²	57.9	22%	0.22	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	146.7	-173.4	-66.2	-91.4	0	0	0	110.3	T38 A48 L50	T38-Y40 WeakPolarHBondContact OG1-CE2 3.01Å; Y40-A48 HydrophobicContact CE1-CB 4.41Å; Y40-A48 WeakPolarHBondContact CE1-O 3.49Å; Y40-L50 HydrophobicContact CE1-CD1 4.03Å; Y40-L50 HydrophobicContact CE1-CG 3.69Å; Y40-L50 PolarHBondContact OH-N 2.91Å
41	N	95.1	Very high	95.3	Very high	47 Å²	47	58.7 Å²	58.7	25%	0.251	34%	0.341	S	S	.	.			trans	-70.2	134.4	158.5	-177.9	-26.4	0	0	0	108.8	W27 I28 K43 F44 K45	W27-N41 HydrophobicContact CE3-CB 3.75Å; W27-N41 HydrophobicContact CZ3-CB 3.96Å; W27-N41 VanDerWaalsContact CZ3-N 3.34Å; W27-N41 WeakPolarHBondContact O-CB 3.41Å; W27-N41 PolarHBondContact O-ND2 3.22Å; I28-N41 WeakPolarHBondContact O-CB 3.18Å; I28-N41 PolarHBondContact O-N 3.27Å; N41-K43 PolarHBondContact O-N 3.44Å; N41-K43 PolarHBondContact OD1-N 3.5Å; N41-K43 VanDerWaalsContact OD1-N 3.14Å; N41-F44 HydrophobicContact CB-CD2 4Å; N41-F44 PolarHBondContact O-N 2.86Å; N41-K45 PolarHBondContact O-N 3.17Å
42	G	93.4	Very high	95.3	Very high	61 Å²	61	60.1 Å²	60.1	63%	0.629	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-52.1	-33.1	-178.4	0	0	0	0	0	114	F44 K45	G42-F44 PolarHBondContact O-N 3.3Å; G42-K45 PolarHBondContact O-N 3.1Å
43	K	91.3	Very high	95.3	Very high	147 Å²	147	59.9 Å²	59.9	64%	0.639	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-63.4	-25.4	177.1	-68.2	-177.1	177.7	179.5	0	114.4	E26 N41	E26-K43 IonicContact OE1-NZ 3.99Å; N41-K43 PolarHBondContact O-N 3.44Å; N41-K43 PolarHBondContact OD1-N 3.5Å; N41-K43 VanDerWaalsContact OD1-N 3.14Å
44	F	92.7	Very high	95.3	Very high	9 Å²	9	65.5 Å²	65.5	4%	0.039	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-111.8	-3.9	-174.8	-62.2	-84.9	0	0	0	112.8	K18 E26 I28 N41 G42 G46 K47 A48	K18-F44 HydrophobicContact CD-CE1 3.87Å; K18-F44 HydrophobicContact CD-CZ 3.9Å; E26-F44 HydrophobicContact CB-CE2 4.4Å; E26-F44 HydrophobicContact CB-CZ 4.33Å; I28-F44 HydrophobicContact CB-CD2 4.34Å; I28-F44 HydrophobicContact CB-CG 4.23Å; I28-F44 HydrophobicContact CG1-CD1 4.1Å; I28-F44 HydrophobicContact CG1-CD2 4.27Å; I28-F44 HydrophobicContact CG1-CE1 4.04Å; I28-F44 HydrophobicContact CG1-CE2 4.19Å; I28-F44 HydrophobicContact CG1-CG 4.21Å; I28-F44 HydrophobicContact CG1-CZ 4.08Å; I28-F44 HydrophobicContact CG2-CB 3.79Å; I28-F44 HydrophobicContact CG2-CD1 4.12Å; I28-F44 HydrophobicContact CG2-CD2 4.43Å; I28-F44 HydrophobicContact CG2-CG 3.87Å; N41-F44 HydrophobicContact CB-CD2 4Å; N41-F44 PolarHBondContact O-N 2.86Å; G42-F44 PolarHBondContact O-N 3.3Å; F44-G46 PolarHBondContact O-N 3.04Å; F44-K47 PolarHBondContact O-N 2.84Å; F44-A48 PolarHBondContact O-N 2.93Å
45	K	90.6	Very high	95.2	Very high	163 Å²	163	69.5 Å²	69.5	71%	0.709	40%	0.404	S	S	*	.	B	Isolated β-bridge	trans	-61	121.2	174.9	-165.8	173.4	-175.7	178.2	0	109	N41 G42 K47	N41-K45 PolarHBondContact O-N 3.17Å; G42-K45 PolarHBondContact O-N 3.1Å; K45-K47 VanDerWaalsContact C-N 3.33Å; K45-K47 PolarHBondContact O-N 2.84Å
46	G	90.2	Very high	95.3	Very high	69 Å²	69	65.9 Å²	65.9	71%	0.711	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	-15.9	-176.2	0	0	0	0	0	115.5	F44	F44-G46 PolarHBondContact O-N 3.04Å
47	K	93.6	Very high	95.3	Very high	69 Å²	69	65.8 Å²	65.8	30%	0.3	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-34.3	170.3	-79.5	-166.3	167.4	-161.1	0	112.9	F44 K45 L63 S64 D70	F44-K47 PolarHBondContact O-N 2.84Å; K45-K47 VanDerWaalsContact C-N 3.33Å; K45-K47 PolarHBondContact O-N 2.84Å; K47-L63 WeakPolarHBondContact O-CA 3.37Å; K47-S64 PolarHBondContact O-N 3.45Å; K47-S64 PolarHBondContact O-OG 2.85Å; K47-D70 IonicContact NZ-OD1 3.76Å; K47-D70 IonicContact NZ-OD2 2.9Å; K47-D70 PolarHBondContact NZ-OD2 3.1Å
48	A	96.4	Very high	95.4	Very high	4 Å²	4	62.2 Å²	62.2	3%	0.033	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.4	-179.5	0	0	0	0	0	110.6	I28 Y40 F44 M61 Q62 L63	I28-A48 HydrophobicContact CG2-CB 3.78Å; Y40-A48 HydrophobicContact CE1-CB 4.41Å; Y40-A48 WeakPolarHBondContact CE1-O 3.49Å; F44-A48 PolarHBondContact O-N 2.93Å; A48-M61 HydrophobicContact CB-CG 4.37Å; A48-Q62 CarbonylContact C-O 3.53Å; A48-Q62 WeakPolarHBondContact CA-O 3.38Å; A48-L63 HydrophobicContact CB-CD2 3.89Å
49	T	97.7	Very high	95.4	Very high	66 Å²	66	59.9 Å²	59.9	41%	0.405	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.3	168.2	-59.2	0	0	0	0	108.2	T51 M61 Q62	T49-T51 HydrophobicContact CG2-CG2 4.34Å; T49-M61 WeakPolarHBondContact O-CA 3.22Å; T49-Q62 PolarHBondContact N-O 2.85Å; T49-Q62 PolarHBondContact O-N 3.42Å
50	L	98	Very high	95.5	Very high	8 Å²	8	60.3 Å²	60.3	4%	0.042	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.8	179.1	-52.3	-175.7	0	0	0	110.3	W16 I31 T38 Y40 Y60 M61	W16-L50 VanDerWaalsContact CD1-CD2 3.44Å; W16-L50 HydrophobicContact CG-CD2 4.08Å; I31-L50 HydrophobicContact CB-CB 4.16Å; I31-L50 HydrophobicContact CG2-CB 4.46Å; T38-L50 HydrophobicContact CG2-CB 4.18Å; Y40-L50 HydrophobicContact CE1-CD1 4.03Å; Y40-L50 HydrophobicContact CE1-CG 3.69Å; Y40-L50 PolarHBondContact OH-N 2.91Å; L50-Y60 WeakPolarHBondContact CA-O 3.2Å; L50-M61 HydrophobicContact CD2-CB 3.72Å; L50-M61 HydrophobicContact CD2-CG 3.63Å; L50-M61 HydrophobicContact CD2-SD 4.26Å
51	T	98.1	Very high	95.6	Very high	73 Å²	73	59.1 Å²	59.1	45%	0.448	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	165.1	174.4	63.7	0	0	0	0	110.6	I31 T49 Y60	I31-T51 VanDerWaalsContact CD1-C 3.49Å; T49-T51 HydrophobicContact CG2-CG2 4.34Å; T51-Y60 PolarHBondContact N-O 2.88Å; T51-Y60 PolarHBondContact O-N 2.03Å; T51-Y60 WeakPolarHBondContact OG1-CB 3.31Å
52	A	97.9	Very high	95.7	Very high	35 Å²	35	63.4 Å²	63.4	29%	0.289	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	141.8	177.3	0	0	0	0	0	110.9	F9 I31 P33 T58	F9-A52 HydrophobicContact CE1-CB 4.1Å; F9-A52 HydrophobicContact CZ-CB 4.03Å; I31-A52 HydrophobicContact CD1-CB 3.92Å; P33-A52 HydrophobicContact CB-CB 3.78Å; P33-A52 HydrophobicContact CG-CB 4.08Å; A52-T58 WeakPolarHBondContact CA-O 3Å
53	D	97.2	Very high	95.8	Very high	57 Å²	57	62.5 Å²	62.5	31%	0.305	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	113.2	170.3	172.5	15	0	0	0	109	S55 S56 S57 T58 Y60	D53-S55 VanDerWaalsContact C-N 3.32Å; D53-S55 VanDerWaalsContact CG-OG 3.29Å; D53-S55 WeakPolarHBondContact OD1-CB 3.44Å; D53-S55 PolarHBondContact OD1-N 3.3Å; D53-S55 PolarHBondContact OD1-OG 2.74Å; D53-S55 PolarHBondContact OD2-OG 2.85Å; D53-S56 VanDerWaalsContact OD2-CB 3.24Å; D53-S56 WeakPolarHBondContact OD2-CB 3.07Å; D53-S56 PolarHBondContact OD2-N 2.93Å; D53-S56 PolarHBondContact OD2-OG 2.78Å; D53-S57 WeakPolarHBondContact O-CA 3.43Å; D53-S57 PolarHBondContact O-N 2.81Å; D53-S57 VanDerWaalsContact O-N 3.1Å; D53-T58 PolarHBondContact N-O 2.94Å; D53-T58 PolarHBondContact O-N 3.05Å; D53-Y60 HydrophobicContact CB-CE2 4.04Å
54	K	95.3	Very high	95.9	Very high	119 Å²	119	58 Å²	58	52%	0.517	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-33.5	-178.7	-52.7	-176.8	-146.3	-171.6	0	111.5	P33 G34 S57	P33-K54 WeakPolarHBondContact O-CD 3.46Å; P33-K54 WeakPolarHBondContact O-CE 3.23Å; P33-K54 WeakPolarHBondContact O-CG 2.99Å; G34-K54 PolarHBondContact O-NZ 3.17Å; K54-S57 PolarHBondContact O-N 2.95Å
55	S	94.7	Very high	95.9	Very high	108 Å²	108	62.6 Å²	62.6	76%	0.755	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-41.6	-175.7	72	0	0	0	0	111.7	D53	D53-S55 VanDerWaalsContact C-N 3.32Å; D53-S55 VanDerWaalsContact CG-OG 3.29Å; D53-S55 WeakPolarHBondContact OD1-CB 3.44Å; D53-S55 PolarHBondContact OD1-N 3.3Å; D53-S55 PolarHBondContact OD1-OG 2.74Å; D53-S55 PolarHBondContact OD2-OG 2.85Å
56	S	96.6	Very high	96	Very high	37 Å²	37	57.8 Å²	57.8	26%	0.259	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-1.5	176.6	66.6	0	0	0	0	113.9	D53 T58	D53-S56 VanDerWaalsContact OD2-CB 3.24Å; D53-S56 WeakPolarHBondContact OD2-CB 3.07Å; D53-S56 PolarHBondContact OD2-N 2.93Å; D53-S56 PolarHBondContact OD2-OG 2.78Å; S56-T58 PolarHBondContact O-N 3.28Å; S56-T58 PolarHBondContact O-OG1 2.78Å; S56-T58 VanDerWaalsContact O-OG1 3.09Å; S56-T58 WeakPolarHBondContact OG-CB 3.42Å; S56-T58 PolarHBondContact OG-OG1 3.01Å
57	S	96.8	Very high	96.2	Very high	38 Å²	38	57.5 Å²	57.5	27%	0.266	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	42	-172.4	-63.1	0	0	0	0	112.8	A4 F9 D53 K54	A4-S57 PolarHBondContact N-O 3.24Å; F9-S57 VanDerWaalsContact CD1-CA 3.47Å; D53-S57 WeakPolarHBondContact O-CA 3.43Å; D53-S57 PolarHBondContact O-N 2.81Å; D53-S57 VanDerWaalsContact O-N 3.1Å; K54-S57 PolarHBondContact O-N 2.95Å
58	T	98.1	Very high	96.2	Very high	12 Å²	12	57.5 Å²	57.5	7%	0.074	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.8	-173.8	-55.6	0	0	0	0	111.1	C2 A52 D53 S56 Y60	C2-T58 WeakPolarHBondContact O-CA 3.31Å; A52-T58 WeakPolarHBondContact CA-O 3Å; D53-T58 PolarHBondContact N-O 2.94Å; D53-T58 PolarHBondContact O-N 3.05Å; S56-T58 PolarHBondContact O-N 3.28Å; S56-T58 PolarHBondContact O-OG1 2.78Å; S56-T58 VanDerWaalsContact O-OG1 3.09Å; S56-T58 WeakPolarHBondContact OG-CB 3.42Å; S56-T58 PolarHBondContact OG-OG1 3.01Å; T58-Y60 HydrophobicContact CG2-CD1 4.44Å; T58-Y60 HydrophobicContact CG2-CD2 4.3Å; T58-Y60 HydrophobicContact CG2-CE1 3.81Å; T58-Y60 HydrophobicContact CG2-CE2 3.64Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.28Å; T58-Y60 WeakPolarHBondContact O-CE2 3.29Å
59	A	97.9	Very high	95.9	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	149.8	168.1	0	0	0	0	0	110.6	S1 C2 F9 M14 W16	S1-A59 CarbonylContact C-O 3.59Å; S1-A59 VanDerWaalsContact CA-O 3.28Å; S1-A59 WeakPolarHBondContact CA-O 3.45Å; C2-A59 PolarHBondContact N-O 3.24Å; C2-A59 PolarHBondContact O-N 3.21Å; F9-A59 HydrophobicContact CE2-CB 4.2Å; F9-A59 HydrophobicContact CZ-CB 3.95Å; M14-A59 HydrophobicContact CB-CB 4.15Å; M14-A59 HydrophobicContact CG-CB 3.61Å; W16-A59 HydrophobicContact CZ2-CB 4.26Å
60	Y	98.3	Very high	95.7	Very high	88 Å²	88	60.7 Å²	60.7	35%	0.345	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	146.4	-180	-55.8	-95.9	0	0	0	109.8	S1 L50 T51 D53 T58	S1-Y60 VanDerWaalsContact CB-CD1 3.48Å; L50-Y60 WeakPolarHBondContact CA-O 3.2Å; T51-Y60 PolarHBondContact N-O 2.88Å; T51-Y60 PolarHBondContact O-N 2.03Å; T51-Y60 WeakPolarHBondContact OG1-CB 3.31Å; D53-Y60 HydrophobicContact CB-CE2 4.04Å; T58-Y60 HydrophobicContact CG2-CD1 4.44Å; T58-Y60 HydrophobicContact CG2-CD2 4.3Å; T58-Y60 HydrophobicContact CG2-CE1 3.81Å; T58-Y60 HydrophobicContact CG2-CE2 3.64Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.28Å; T58-Y60 WeakPolarHBondContact O-CE2 3.29Å
61	M	97.9	Very high	95.6	Very high	31 Å²	31	61.9 Å²	61.9	15%	0.153	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	119.8	166.9	176	178.9	68.2	0	0	106.2	W16 I28 A48 T49 L50 L63 Y74	W16-M61 HydrophobicContact CB-SD 3.79Å; W16-M61 HydrophobicContact CD2-CB 3.65Å; W16-M61 HydrophobicContact CD2-CE 4.24Å; W16-M61 HydrophobicContact CD2-CG 4.4Å; W16-M61 HydrophobicContact CD2-SD 3.98Å; W16-M61 HydrophobicContact CE3-CB 4Å; W16-M61 HydrophobicContact CE3-CE 3.74Å; W16-M61 HydrophobicContact CE3-SD 4.09Å; W16-M61 HydrophobicContact CG-CB 4.11Å; W16-M61 HydrophobicContact CG-CG 4.5Å; W16-M61 HydrophobicContact CG-SD 3.87Å; W16-M61 HydrophobicContact CH2-CB 4.2Å; W16-M61 HydrophobicContact CZ2-CB 3.88Å; W16-M61 HydrophobicContact CZ3-CB 4.25Å; W16-M61 HydrophobicContact CZ3-CE 4.26Å; I28-M61 HydrophobicContact CD1-CE 4.19Å; I28-M61 HydrophobicContact CD1-SD 3.73Å; I28-M61 HydrophobicContact CG2-SD 4.03Å; A48-M61 HydrophobicContact CB-CG 4.37Å; T49-M61 WeakPolarHBondContact O-CA 3.22Å; L50-M61 HydrophobicContact CD2-CB 3.72Å; L50-M61 HydrophobicContact CD2-CG 3.63Å; L50-M61 HydrophobicContact CD2-SD 4.26Å; M61-L63 HydrophobicContact CE-CD1 3.92Å; M61-L63 HydrophobicContact CE-CD2 4.25Å; M61-L63 HydrophobicContact CE-CG 4.1Å; M61-L63 HydrophobicContact CG-CD2 4.17Å; M61-L63 HydrophobicContact CG-CG 4.27Å; M61-L63 HydrophobicContact SD-CD2 4Å; M61-L63 HydrophobicContact SD-CG 4.39Å; M61-Y74 HydrophobicContact CE-CD1 3.64Å; M61-Y74 HydrophobicContact CE-CE1 4.24Å; M61-Y74 HydrophobicContact CE-CG 4.3Å
62	Q	97.4	Very high	95.6	Very high	138 Å²	138	58.4 Å²	58.4	65%	0.645	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.1	169.9	-175.1	175.6	11.2	0	0	107.7	A48 T49	A48-Q62 CarbonylContact C-O 3.53Å; A48-Q62 WeakPolarHBondContact CA-O 3.38Å; T49-Q62 PolarHBondContact N-O 2.85Å; T49-Q62 PolarHBondContact O-N 3.42Å
63	L	95.4	Very high	95.6	Very high	42 Å²	42	58.9 Å²	58.9	22%	0.22	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	135.4	174.5	-64.3	169.3	0	0	0	108.9	K47 A48 M61 L66 Y74	K47-L63 WeakPolarHBondContact O-CA 3.37Å; A48-L63 HydrophobicContact CB-CD2 3.89Å; M61-L63 HydrophobicContact CE-CD1 3.92Å; M61-L63 HydrophobicContact CE-CD2 4.25Å; M61-L63 HydrophobicContact CE-CG 4.1Å; M61-L63 HydrophobicContact CG-CD2 4.17Å; M61-L63 HydrophobicContact CG-CG 4.27Å; M61-L63 HydrophobicContact SD-CD2 4Å; M61-L63 HydrophobicContact SD-CG 4.39Å; L63-L66 HydrophobicContact CB-CD1 4.13Å; L63-L66 HydrophobicContact CB-CD2 3.79Å; L63-L66 HydrophobicContact CB-CG 4.08Å; L63-L66 HydrophobicContact CD1-CD2 4.1Å; L63-L66 HydrophobicContact CG-CD2 4.45Å; L63-Y74 HydrophobicContact CD1-CD1 4.26Å; L63-Y74 HydrophobicContact CD1-CE1 3.67Å; L63-Y74 HydrophobicContact CD1-CE2 4.49Å
64	S	93.8	Very high	95.7	Very high	51 Å²	51	56.8 Å²	56.8	36%	0.357	32%	0.32	S	S	.	.			trans	-119.9	155.4	177.5	55.1	0	0	0	0	111.1	K47 L66	K47-S64 PolarHBondContact O-N 3.45Å; K47-S64 PolarHBondContact O-OG 2.85Å; S64-L66 VanDerWaalsContact C-N 3.28Å; S64-L66 PolarHBondContact O-N 3.02Å
65	S	91.4	Very high	95.8	Very high	107 Å²	107	52.5 Å²	52.5	75%	0.748	30%	0.302	S	S	*	.	S	Bend	trans	51.9	44.7	175.6	-56.6	0	0	0	0	113.6
66	L	92.8	Very high	95.9	Very high	62 Å²	62	48 Å²	48	33%	0.325	27%	0.271	S	S	.	.			trans	-66.4	139.2	179.9	-71.2	177.8	0	0	0	111.3	L63 S64 D70 V94	L63-L66 HydrophobicContact CB-CD1 4.13Å; L63-L66 HydrophobicContact CB-CD2 3.79Å; L63-L66 HydrophobicContact CB-CG 4.08Å; L63-L66 HydrophobicContact CD1-CD2 4.1Å; L63-L66 HydrophobicContact CG-CD2 4.45Å; S64-L66 VanDerWaalsContact C-N 3.28Å; S64-L66 PolarHBondContact O-N 3.02Å; L66-D70 HydrophobicContact CD2-CB 3.6Å; L66-V94 HydrophobicContact CB-CG1 4.2Å; L66-V94 HydrophobicContact CB-CG2 3.99Å; L66-V94 HydrophobicContact CD1-CG2 4.09Å
67	T	93.9	Very high	95.9	Very high	63 Å²	63	46.4 Å²	46.4	39%	0.387	26%	0.259	S	S	.	.			trans	-116	171.3	170.7	67.9	0	0	0	0	110.4	E69 D70 V94	T67-E69 PolarHBondContact O-N 3.05Å; T67-E69 VanDerWaalsContact O-N 3.12Å; T67-D70 PolarHBondContact N-OD2 3.16Å; T67-D70 WeakPolarHBondContact O-CB 3.47Å; T67-D70 PolarHBondContact O-N 3.47Å; T67-V94 WeakPolarHBondContact O-CB 3.03Å
68	S	94.1	Very high	95.7	Very high	68 Å²	68	47.9 Å²	47.9	48%	0.476	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-54.5	-30.9	176.5	55.8	0	0	0	0	113.2	D70 S71 V94	S68-D70 PolarHBondContact O-N 2.86Å; S68-S71 VanDerWaalsContact O-CB 3.31Å; S68-S71 WeakPolarHBondContact O-CB 3.32Å; S68-S71 PolarHBondContact O-N 2.85Å; S68-S71 VanDerWaalsContact O-N 3.15Å; S68-S71 PolarHBondContact O-OG 3.48Å; S68-V94 WeakPolarHBondContact CA-O 3.4Å
69	E	90.8	Very high	95.1	Very high	133 Å²	133	48 Å²	48	62%	0.621	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-66.9	-17.5	175.4	-59.3	-171.4	170.7	0	0	114	R20 T67 S71	R20-E69 PolarHBondContact NE-O 3.13Å; R20-E69 PolarHBondContact NH2-O 2.86Å; T67-E69 PolarHBondContact O-N 3.05Å; T67-E69 VanDerWaalsContact O-N 3.12Å; E69-S71 VanDerWaalsContact C-N 3.27Å
70	D	93.7	Very high	94.1	Very high	5 Å²	5	53.2 Å²	53.2	3%	0.027	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-86.2	0.6	176.6	-69.2	-45	0	0	0	112.5	K18 K47 L66 T67 S68 A72 Y74	K18-D70 IonicContact NZ-OD1 3.83Å; K18-D70 PolarHBondContact NZ-OD1 2.93Å; K47-D70 IonicContact NZ-OD1 3.76Å; K47-D70 IonicContact NZ-OD2 2.9Å; K47-D70 PolarHBondContact NZ-OD2 3.1Å; L66-D70 HydrophobicContact CD2-CB 3.6Å; T67-D70 PolarHBondContact N-OD2 3.16Å; T67-D70 WeakPolarHBondContact O-CB 3.47Å; T67-D70 PolarHBondContact O-N 3.47Å; S68-D70 PolarHBondContact O-N 2.86Å; D70-A72 PolarHBondContact O-N 3.3Å; D70-Y74 WeakPolarHBondContact O-CE2 3.28Å; D70-Y74 PolarHBondContact O-OH 2.85Å
71	S	96.3	Very high	92.7	Very high	32 Å²	32	52.3 Å²	52.3	22%	0.224	31%	0.308	C	S	.	.			trans	-62.9	117.8	169.8	-59	0	0	0	0	111	S68 E69 V92 V94	S68-S71 VanDerWaalsContact O-CB 3.31Å; S68-S71 WeakPolarHBondContact O-CB 3.32Å; S68-S71 PolarHBondContact O-N 2.85Å; S68-S71 VanDerWaalsContact O-N 3.15Å; S68-S71 PolarHBondContact O-OG 3.48Å; E69-S71 VanDerWaalsContact C-N 3.27Å; S71-V92 VanDerWaalsContact CA-O 3.28Å; S71-V92 WeakPolarHBondContact CA-O 3.48Å; S71-V94 PolarHBondContact OG-N 3.15Å; S71-V94 PolarHBondContact OG-O 2.89Å
72	A	97.3	Very high	91.6	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.008	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	167.4	-172.3	0	0	0	0	0	111	K18 Q19 R20 D70 Y74 V92	K18-A72 HydrophobicContact CD-CB 4.25Å; K18-A72 HydrophobicContact CG-CB 3.89Å; Q19-A72 WeakPolarHBondContact O-CA 3.41Å; Q19-A72 VanDerWaalsContact O-CB 3.27Å; Q19-A72 WeakPolarHBondContact O-CB 3.38Å; R20-A72 HydrophobicContact CG-CB 4.12Å; D70-A72 PolarHBondContact O-N 3.3Å; A72-Y74 HydrophobicContact CB-CD2 4.3Å; A72-Y74 HydrophobicContact CB-CE2 3.78Å; A72-Y74 WeakPolarHBondContact O-CD2 3.45Å; A72-V92 PolarHBondContact N-O 2.67Å; A72-V92 PolarHBondContact O-N 3.46Å
73	V	98.3	Very high	90.7	Very high	45 Å²	45	55.2 Å²	55.2	27%	0.273	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	127.6	161.7	-172	0	0	0	0	108.4	K18 Q19 F75 T90 L91	K18-V73 CarbonylContact C-O 3.46Å; K18-V73 WeakPolarHBondContact CA-O 3.42Å; Q19-V73 PolarHBondContact N-O 3.24Å; Q19-V73 PolarHBondContact O-N 3.48Å; V73-F75 HydrophobicContact CB-CE2 3.77Å; V73-F75 HydrophobicContact CB-CZ 3.91Å; V73-F75 HydrophobicContact CG1-CD2 4.24Å; V73-F75 HydrophobicContact CG1-CE1 3.86Å; V73-F75 HydrophobicContact CG1-CE2 3.52Å; V73-F75 HydrophobicContact CG1-CZ 3.31Å; V73-T90 WeakPolarHBondContact CA-O 3.45Å; V73-L91 HydrophobicContact CG2-CD1 4.19Å
74	Y	98.1	Very high	90	Very high	12 Å²	12	56.6 Å²	56.6	5%	0.047	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129	179.2	-70.2	-94.5	0	0	0	109.9	V17 K18 I28 M61 L63 D70 A72 G89 T90 V92	V17-Y74 CarbonylContact O-C 3.59Å; V17-Y74 WeakPolarHBondContact O-CA 3.39Å; K18-Y74 HydrophobicContact CB-CD1 3.88Å; K18-Y74 HydrophobicContact CB-CE1 3.75Å; K18-Y74 HydrophobicContact CD-CE1 4.1Å; K18-Y74 HydrophobicContact CG-CE1 4.44Å; I28-Y74 HydrophobicContact CD1-CD1 3.71Å; I28-Y74 HydrophobicContact CD1-CE1 3.76Å; M61-Y74 HydrophobicContact CE-CD1 3.64Å; M61-Y74 HydrophobicContact CE-CE1 4.24Å; M61-Y74 HydrophobicContact CE-CG 4.3Å; L63-Y74 HydrophobicContact CD1-CD1 4.26Å; L63-Y74 HydrophobicContact CD1-CE1 3.67Å; L63-Y74 HydrophobicContact CD1-CE2 4.49Å; D70-Y74 WeakPolarHBondContact O-CE2 3.28Å; D70-Y74 PolarHBondContact O-OH 2.85Å; A72-Y74 HydrophobicContact CB-CD2 4.3Å; A72-Y74 HydrophobicContact CB-CE2 3.78Å; A72-Y74 WeakPolarHBondContact O-CD2 3.45Å; Y74-G89 CarbonylContact O-C 3.5Å; Y74-G89 WeakPolarHBondContact O-CA 3.34Å; Y74-T90 PolarHBondContact N-O 2.61Å; Y74-T90 PolarHBondContact O-N 3.23Å; Y74-V92 HydrophobicContact CD2-CB 3.81Å; Y74-V92 HydrophobicContact CD2-CG2 3.65Å; Y74-V92 HydrophobicContact CE2-CB 3.75Å; Y74-V92 HydrophobicContact CE2-CG1 4.47Å; Y74-V92 HydrophobicContact CE2-CG2 4.04Å
75	F	97.9	Very high	89.8	Confident	29 Å²	29	61 Å²	61	13%	0.127	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	145.7	-177.8	-57.4	-91	0	0	0	110.2	W16 V17 Q19 V73 W86	W16-F75 WeakPolarHBondContact CA-O 3.37Å; V17-F75 PolarHBondContact N-O 2.76Å; V17-F75 PolarHBondContact O-N 3.06Å; Q19-F75 HydrophobicContact CB-CE2 3.83Å; V73-F75 HydrophobicContact CB-CE2 3.77Å; V73-F75 HydrophobicContact CB-CZ 3.91Å; V73-F75 HydrophobicContact CG1-CD2 4.24Å; V73-F75 HydrophobicContact CG1-CE1 3.86Å; V73-F75 HydrophobicContact CG1-CE2 3.52Å; V73-F75 HydrophobicContact CG1-CZ 3.31Å; F75-W86 HydrophobicContact CB-CE3 3.75Å; F75-W86 HydrophobicContact CB-CZ3 3.86Å; F75-W86 HydrophobicContact CD1-CE3 4.45Å; F75-W86 HydrophobicContact CG-CE3 4.16Å; F75-W86 HydrophobicContact CG-CZ3 4.29Å
76	C	96.9	Very high	90	Very high	15 Å²	15	60.9 Å²	60.9	10%	0.101	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	148	157.8	59.1	0	0	0	0	109.5	C2 M14 N15 W16 G87	C2-C76 HydrophobicContact CB-CB 3.38Å; C2-C76 WeakPolarHBondContact CB-SG 3.02Å; C2-C76 WeakPolarHBondContact SG-CB 3.43Å; C2-C76 CovalentContact SG-SG 2.03Å; C2-C76 PolarHBondContact SG-SG 2.86Å; M14-C76 HydrophobicContact SD-CB 3.87Å; N15-C76 CarbonylContact O-C 3.58Å; N15-C76 VanDerWaalsContact O-CA 3.24Å; N15-C76 WeakPolarHBondContact O-CA 3.37Å; W16-C76 HydrophobicContact CE3-CB 4.2Å; W16-C76 HydrophobicContact CH2-CB 4.22Å; W16-C76 HydrophobicContact CZ3-CB 4.04Å; C76-G87 PolarHBondContact O-N 3.1Å
77	A	95.9	Very high	90.1	Very high	2 Å²	2	59.2 Å²	59.2	2%	0.017	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	143.4	177.6	0	0	0	0	0	111.9	N15 L83 Y85 W86	N15-A77 WeakPolarHBondContact CA-O 3.42Å; N15-A77 HydrophobicContact CB-CB 4.5Å; N15-A77 WeakPolarHBondContact CB-O 3.48Å; N15-A77 PolarHBondContact N-O 3.09Å; N15-A77 PolarHBondContact ND2-O 3.14Å; N15-A77 PolarHBondContact O-N 3.11Å; A77-L83 HydrophobicContact CB-CB 4.08Å; A77-L83 HydrophobicContact CB-CD1 4.01Å; A77-L83 HydrophobicContact CB-CD2 3.93Å; A77-L83 HydrophobicContact CB-CG 4.22Å; A77-Y85 CarbonylContact C-O 3.59Å; A77-Y85 WeakPolarHBondContact CA-O 3.4Å; A77-Y85 WeakPolarHBondContact CB-O 3.24Å; A77-W86 HydrophobicContact CB-CD2 3.73Å; A77-W86 HydrophobicContact CB-CE3 3.85Å; A77-W86 HydrophobicContact CB-CG 4.18Å; A77-W86 HydrophobicContact CB-CH2 4.43Å; A77-W86 HydrophobicContact CB-CZ2 4.33Å; A77-W86 HydrophobicContact CB-CZ3 4.2Å
78	R	93.4	Very high	90.2	Very high	70 Å²	70	65.3 Å²	65.3	26%	0.264	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	135	176.5	173.6	-174.7	147.5	-163.1	-8.7	110.2	Y7 W13 A84 Y85	Y7-R78 HydrophobicContact CE2-CG 4.41Å; Y7-R78 VanDerWaalsContact CZ-CD 3.48Å; W13-R78 WeakPolarHBondContact O-CA 3.37Å; R78-A84 PolarHBondContact O-N 3.34Å; R78-Y85 PolarHBondContact N-O 3.32Å
79	G	85.7	Confident	90.3	Very high	14 Å²	14	63.2 Å²	63.2	14%	0.144	34%	0.342	C	S	.	.			trans	155	156.2	168.9	0	0	0	0	0	114.6	W13 N15 F82	W13-G79 WeakPolarHBondContact CB-O 3.37Å; W13-G79 PolarHBondContact O-N 2.78Å; W13-G79 VanDerWaalsContact O-N 3.17Å; N15-G79 PolarHBondContact ND2-O 2.82Å; G79-F82 WeakPolarHBondContact CA-O 3.29Å
80	D	75.9	Confident	90.7	Very high	110 Å²	110	61.4 Å²	61.4	59%	0.588	34%	0.34	S	S	*	.	S	Bend	trans	-109.8	100.6	170.9	-162.1	11.1	0	0	0	109.1	R30 F82	R30-D80 IonicContact CZ-OD1 3.79Å; R30-D80 IonicContact NH1-OD1 2.78Å; R30-D80 PolarHBondContact NH1-OD1 2.85Å; D80-F82 VanDerWaalsContact C-N 3.26Å; D80-F82 PolarHBondContact O-N 2.87Å; D80-F82 VanDerWaalsContact O-N 3.13Å
81	G	69.2	Low	90.8	Very high	69 Å²	69	66.7 Å²	66.7	71%	0.711	37%	0.368	S	S	*	.	S	Bend	trans	83.6	-41.1	-174.9	0	0	0	0	0	115.2
82	F	74.7	Confident	90.8	Very high	181 Å²	181	67.3 Å²	67.3	79%	0.794	37%	0.37	S	S	*	.	S	Bend	trans	-117.5	118.5	174.7	-66.9	-84.1	0	0	0	111.5	G79 D80 A84	G79-F82 WeakPolarHBondContact CA-O 3.29Å; D80-F82 VanDerWaalsContact C-N 3.26Å; D80-F82 PolarHBondContact O-N 2.87Å; D80-F82 VanDerWaalsContact O-N 3.13Å; F82-A84 PolarHBondContact O-N 3.01Å
83	L	79.5	Confident	90.8	Very high	48 Å²	48	72.3 Å²	72.3	25%	0.251	40%	0.4	S	S	.	.			trans	-81.3	82.3	179.9	-60.7	-178.5	0	0	0	110.5	N15 V17 A77 W86	N15-L83 HydrophobicContact CB-CD2 3.7Å; N15-L83 VanDerWaalsContact CG-CD2 3.4Å; N15-L83 VanDerWaalsContact ND2-CD2 3.26Å; N15-L83 WeakPolarHBondContact ND2-CD2 3.46Å; V17-L83 HydrophobicContact CG2-CD1 4.02Å; A77-L83 HydrophobicContact CB-CB 4.08Å; A77-L83 HydrophobicContact CB-CD1 4.01Å; A77-L83 HydrophobicContact CB-CD2 3.93Å; A77-L83 HydrophobicContact CB-CG 4.22Å; L83-W86 HydrophobicContact CB-CZ2 3.58Å; L83-W86 HydrophobicContact CD1-CH2 3.56Å; L83-W86 HydrophobicContact CD1-CZ2 3.35Å; L83-W86 HydrophobicContact CG-CZ2 4.09Å; L83-W86 PolarHBondContact O-NE1 3.07Å
84	A	80	Confident	90.6	Very high	72 Å²	72	71.5 Å²	71.5	60%	0.595	40%	0.395	S	S	*	.			trans	-75.4	-27.5	-174.7	0	0	0	0	0	113.6	R78 F82	R78-A84 PolarHBondContact O-N 3.34Å; F82-A84 PolarHBondContact O-N 3.01Å
85	Y	90.4	Very high	90.3	Very high	144 Å²	144	75.9 Å²	75.9	57%	0.565	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.2	-176.8	-55.6	-83	0	0	0	110.8	A77 R78	A77-Y85 CarbonylContact C-O 3.59Å; A77-Y85 WeakPolarHBondContact CA-O 3.4Å; A77-Y85 WeakPolarHBondContact CB-O 3.24Å; R78-Y85 PolarHBondContact N-O 3.32Å
86	W	94.9	Very high	89.5	Confident	103 Å²	103	82 Å²	82	39%	0.39	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	141.9	-176.6	-68.3	76.4	0	0	0	110.7	V17 L25 F75 A77 L83	V17-W86 HydrophobicContact CB-CH2 4.1Å; V17-W86 HydrophobicContact CB-CZ3 3.82Å; V17-W86 HydrophobicContact CG1-CH2 4.05Å; V17-W86 HydrophobicContact CG1-CZ3 4.04Å; V17-W86 HydrophobicContact CG2-CH2 3.78Å; V17-W86 HydrophobicContact CG2-CZ3 3.86Å; L25-W86 HydrophobicContact CD1-CH2 3.94Å; L25-W86 HydrophobicContact CD1-CZ2 4.45Å; F75-W86 HydrophobicContact CB-CE3 3.75Å; F75-W86 HydrophobicContact CB-CZ3 3.86Å; F75-W86 HydrophobicContact CD1-CE3 4.45Å; F75-W86 HydrophobicContact CG-CE3 4.16Å; F75-W86 HydrophobicContact CG-CZ3 4.29Å; A77-W86 HydrophobicContact CB-CD2 3.73Å; A77-W86 HydrophobicContact CB-CE3 3.85Å; A77-W86 HydrophobicContact CB-CG 4.18Å; A77-W86 HydrophobicContact CB-CH2 4.43Å; A77-W86 HydrophobicContact CB-CZ2 4.33Å; A77-W86 HydrophobicContact CB-CZ3 4.2Å; L83-W86 HydrophobicContact CB-CZ2 3.58Å; L83-W86 HydrophobicContact CD1-CH2 3.56Å; L83-W86 HydrophobicContact CD1-CZ2 3.35Å; L83-W86 HydrophobicContact CG-CZ2 4.09Å; L83-W86 PolarHBondContact O-NE1 3.07Å
87	G	95.4	Very high	89.1	Confident	28 Å²	28	85.4 Å²	85.4	29%	0.289	50%	0.503	S	S	.	.			trans	-71.1	163.8	162.6	0	0	0	0	0	110.9	C76 G89	C76-G87 PolarHBondContact O-N 3.1Å; G87-G89 PolarHBondContact O-N 3.09Å; G87-G89 VanDerWaalsContact O-N 3.1Å
88	Q	95.9	Very high	88.8	Confident	190 Å²	190	89.8 Å²	89.8	89%	0.888	53%	0.529	S	S	*	.			trans	-62.7	-18.2	179.2	-65.5	-63.5	-28.7	0	0	113.7
89	G	96.8	Very high	88.5	Confident	25 Å²	25	90.9 Å²	90.9	26%	0.258	54%	0.544	S	S	.	.			trans	84.8	161.6	-174.8	0	0	0	0	0	112.5	Y74 G87	Y74-G89 CarbonylContact O-C 3.5Å; Y74-G89 WeakPolarHBondContact O-CA 3.34Å; G87-G89 PolarHBondContact O-N 3.09Å; G87-G89 VanDerWaalsContact O-N 3.1Å
90	T	97.8	Very high	88.7	Confident	94 Å²	94	95.4 Å²	95.4	58%	0.577	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-137.7	126	176.6	-65.3	0	0	0	0	109	V73 Y74 V92	V73-T90 WeakPolarHBondContact CA-O 3.45Å; Y74-T90 PolarHBondContact N-O 2.61Å; Y74-T90 PolarHBondContact O-N 3.23Å; T90-V92 PolarHBondContact O-N 2.71Å
91	L	97.5	Very high	89.5	Confident	117 Å²	117	94.5 Å²	94.5	61%	0.613	57%	0.566	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.6	124.8	172.7	178.8	63.3	0	0	0	109.1	V73	V73-L91 HydrophobicContact CG2-CD1 4.19Å
92	V	96.4	Very high	90.8	Very high	45 Å²	45	96.2 Å²	96.2	27%	0.273	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.5	125.2	168.1	179.3	0	0	0	0	107	S71 A72 Y74 T90 V94	S71-V92 VanDerWaalsContact CA-O 3.28Å; S71-V92 WeakPolarHBondContact CA-O 3.48Å; A72-V92 PolarHBondContact N-O 2.67Å; A72-V92 PolarHBondContact O-N 3.46Å; Y74-V92 HydrophobicContact CD2-CB 3.81Å; Y74-V92 HydrophobicContact CD2-CG2 3.65Å; Y74-V92 HydrophobicContact CE2-CB 3.75Å; Y74-V92 HydrophobicContact CE2-CG1 4.47Å; Y74-V92 HydrophobicContact CE2-CG2 4.04Å; T90-V92 PolarHBondContact O-N 2.71Å; V92-V94 HydrophobicContact CG1-CG2 4.32Å
93	T	96.4	Very high	92	Very high	105 Å²	105	90.1 Å²	90.1	64%	0.644	54%	0.539	S	S	*	.			trans	-114.9	129.5	177.3	-55.6	0	0	0	0	108.7
94	V	94.9	Very high	92.9	Very high	28 Å²	28	93.4 Å²	93.4	17%	0.17	56%	0.562	C	S	.	*			trans	-119.4	115.8	178.2	-172.8	0	0	0	0	107	L66 T67 S68 S71 V92	L66-V94 HydrophobicContact CB-CG1 4.2Å; L66-V94 HydrophobicContact CB-CG2 3.99Å; L66-V94 HydrophobicContact CD1-CG2 4.09Å; T67-V94 WeakPolarHBondContact O-CB 3.03Å; S68-V94 WeakPolarHBondContact CA-O 3.4Å; S71-V94 PolarHBondContact OG-N 3.15Å; S71-V94 PolarHBondContact OG-O 2.89Å; V92-V94 HydrophobicContact CG1-CG2 4.32Å
95	S	91.9	Very high	94	Very high	105 Å²	105	95.2 Å²	95.2	73%	0.734	56%	0.559	S	S	*	*			trans	-83.7	156.8	173.3	55.1	0	0	0	0	110.7
96	A	79.8	Confident	94.3	Very high	158 Å²	158	90.7 Å²	90.7	100%	1.306	56%	0.558	S	S	*	*			trans	-71.5	0	170.6	0	0	0	0	0	111.8

Retrieved 96 of 96 residues in 29.5 ms (Link to these results)

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