X5J576_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J576, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 101 aa.

						>X5J576_MOUSE|X5J576
TCSVTGYSITSDYWNWIRKFPGNKLEYMGYISYSGSTYYNPSLKSRISITRDTSKNQYYLQLNSVTTEDTATYYCARSPALLWLPYYFDYWGQGTTLTVSS
					

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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	T	96.8	Very high	94.7	Very high	104 Å²	104	62 Å²	62	64%	0.638	41%	0.408	S	S	*	.				0	144.6	0	-53.7	0	0	0	0	109.8	Q57 Y58 Y59	T1-Q57 HydrophobicContact CG2-CB 4.49Å; T1-Q57 HydrophobicContact CG2-CG 4.32Å; T1-Y58 CarbonylContact C-O 3.47Å; T1-Y59 HydrophobicContact CG2-CD1 3.62Å; T1-Y59 HydrophobicContact CG2-CE1 3.36Å; T1-Y59 VanDerWaalsContact OG1-CD1 3.31Å; T1-Y59 WeakPolarHBondContact OG1-CD1 2.86Å
2	C	97.4	Very high	94.6	Very high	13 Å²	13	57.5 Å²	57.5	9%	0.088	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	122.6	167.3	-178.2	0	0	0	0	108.9	W16 Q57 Y58 C75	C2-W16 HydrophobicContact CB-CH2 3.85Å; C2-W16 HydrophobicContact CB-CZ2 3.89Å; C2-Q57 WeakPolarHBondContact O-CA 3.38Å; C2-Y58 HydrophobicContact CB-CD1 4Å; C2-Y58 HydrophobicContact CB-CE1 3.54Å; C2-Y58 HydrophobicContact CB-CE2 4.09Å; C2-Y58 HydrophobicContact CB-CG 4.47Å; C2-Y58 PolarHBondContact N-O 2.79Å; C2-Y58 PolarHBondContact O-N 3.43Å; C2-Y58 WeakPolarHBondContact SG-CE1 3.15Å; C2-Y58 VanDerWaalsContact SG-CZ 3.54Å; C2-Y58 PolarHBondContact SG-OH 3.21Å; C2-C75 HydrophobicContact CB-CB 3.35Å; C2-C75 WeakPolarHBondContact CB-SG 3.34Å; C2-C75 WeakPolarHBondContact SG-CB 3.29Å; C2-C75 CovalentContact SG-SG 2.05Å; C2-C75 PolarHBondContact SG-SG 3.14Å
3	S	97.4	Very high	94.6	Very high	74 Å²	74	55.5 Å²	55.5	52%	0.517	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	129.4	174.6	-60.3	0	0	0	0	109.2	Q57	S3-Q57 PolarHBondContact OG-NE2 3.01Å
4	V	96.2	Very high	94.7	Very high	18 Å²	18	52.3 Å²	52.3	11%	0.109	34%	0.335	C	S	.	.			trans	-101.3	133.6	-179.1	179.5	0	0	0	0	109.8	Y7 I9 W14 N56 Y58	V4-Y7 WeakPolarHBondContact CG1-O 3.43Å; V4-I9 HydrophobicContact CB-CG2 3.93Å; V4-I9 HydrophobicContact CG2-CG2 3.61Å; V4-W14 HydrophobicContact CB-CH2 4.35Å; V4-W14 HydrophobicContact CB-CZ3 4.42Å; V4-W14 HydrophobicContact CG1-CH2 3.53Å; V4-W14 HydrophobicContact CG1-CZ2 4.31Å; V4-W14 HydrophobicContact CG1-CZ3 3.92Å; V4-W14 HydrophobicContact CG2-CE3 3.93Å; V4-W14 HydrophobicContact CG2-CH2 3.91Å; V4-W14 HydrophobicContact CG2-CZ3 3.56Å; V4-N56 PolarHBondContact N-O 3.3Å; V4-N56 PolarHBondContact O-ND2 3Å; V4-Y58 HydrophobicContact CG2-CD1 4.13Å; V4-Y58 HydrophobicContact CG2-CE1 3.75Å
5	T	94.2	Very high	94.8	Very high	126 Å²	126	48.8 Å²	48.8	77%	0.773	31%	0.313	S	S	*	.			trans	-125.3	139.2	175.1	52.8	0	0	0	0	109.5	Y7	T5-Y7 PolarHBondContact O-N 3.34Å
6	G	92.1	Very high	95	Very high	80 Å²	80	46.4 Å²	46.4	83%	0.825	30%	0.295	S	S	*	.	S	Bend	trans	81	-8	-179.7	0	0	0	0	0	115.5
7	Y	91.3	Very high	95.2	Very high	90 Å²	90	43.9 Å²	43.9	35%	0.353	28%	0.28	S	S	.	.	S	Bend	trans	-136.4	161	175.7	-66.6	-79.5	0	0	0	110.5	V4 T5 N56 R77 Y90	V4-Y7 WeakPolarHBondContact CG1-O 3.43Å; T5-Y7 PolarHBondContact O-N 3.34Å; Y7-N56 PolarHBondContact O-ND2 3.06Å; Y7-R77 VanDerWaalsContact CE1-CZ 3.46Å; Y7-Y90 HydrophobicContact CE2-CD2 4.23Å; Y7-Y90 AromaticContact CE2-CE2 3.95Å; Y7-Y90 HydrophobicContact CE2-CE2 3.95Å; Y7-Y90 AromaticContact CZ-CE2 3.8Å; Y7-Y90 VanDerWaalsContact OH-CE2 3.3Å; Y7-Y90 WeakPolarHBondContact OH-CE2 3.48Å; Y7-Y90 PolarHBondContact OH-OH 2.58Å
8	S	94.1	Very high	95.3	Very high	46 Å²	46	42.2 Å²	42.2	32%	0.322	27%	0.267	S	S	.	.			trans	-100.7	133.8	171.8	-179.7	0	0	0	0	111.1	T10 S11 W14 N56	S8-T10 PolarHBondContact O-N 2.88Å; S8-T10 PolarHBondContact OG-N 3.04Å; S8-T10 PolarHBondContact OG-OG1 3.03Å; S8-S11 PolarHBondContact O-N 3.28Å; S8-S11 VanDerWaalsContact O-N 3.14Å; S8-W14 WeakPolarHBondContact O-CZ2 3.38Å; S8-N56 WeakPolarHBondContact CA-OD1 3.49Å
9	I	95.3	Very high	95.4	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-10	176	66.9	170	0	0	0	113.9	V4 S11 W14 R51 D52 T53 N56 Q57 Y58	V4-I9 HydrophobicContact CB-CG2 3.93Å; V4-I9 HydrophobicContact CG2-CG2 3.61Å; I9-S11 VanDerWaalsContact C-N 3.34Å; I9-W14 HydrophobicContact CB-CZ2 4.43Å; I9-W14 HydrophobicContact CG2-CD2 4.32Å; I9-W14 HydrophobicContact CG2-CZ2 4.23Å; I9-W14 PolarHBondContact O-NE1 3.07Å; I9-R51 HydrophobicContact CD1-CB 3.94Å; I9-D52 WeakPolarHBondContact CD1-O 3.38Å; I9-T53 HydrophobicContact CD1-CG2 4.15Å; I9-T53 HydrophobicContact CG1-CG2 4.3Å; I9-N56 WeakPolarHBondContact CG2-OD1 3.47Å; I9-N56 PolarHBondContact N-OD1 2.84Å; I9-Q57 WeakPolarHBondContact CD1-O 3.43Å; I9-Y58 HydrophobicContact CG2-CD1 4.29Å
10	T	95.3	Very high	95.5	Very high	65 Å²	65	43.2 Å²	43.2	40%	0.399	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	15.5	177.4	66.9	0	0	0	0	113.2	S8 Y33 T53	S8-T10 PolarHBondContact O-N 2.88Å; S8-T10 PolarHBondContact OG-N 3.04Å; S8-T10 PolarHBondContact OG-OG1 3.03Å; T10-Y33 VanDerWaalsContact C-CB 3.44Å; T10-Y33 WeakPolarHBondContact O-CB 3.31Å; T10-T53 HydrophobicContact CG2-CG2 3.5Å; T10-T53 VanDerWaalsContact CG2-CG2 3.5Å
11	S	92.4	Very high	95.4	Very high	65 Å²	65	46.2 Å²	46.2	46%	0.455	28%	0.283	S	S	.	.	S	Bend	trans	-117.9	-20.3	-178.2	-60.3	0	0	0	0	114.2	S8 I9 A80	S8-S11 PolarHBondContact O-N 3.28Å; S8-S11 VanDerWaalsContact O-N 3.14Å; I9-S11 VanDerWaalsContact C-N 3.34Å; S11-A80 WeakPolarHBondContact O-CB 3.35Å
12	D	93.1	Very high	95.3	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.043	29%	0.288	C	S	.	.	S	Bend	trans	-140.5	-177.3	-168.3	-69.8	-56.2	0	0	0	113.2	W14 S32 Y33 R77 P79 A80	D12-W14 HydrophobicContact CB-CZ2 4.08Å; D12-W14 PolarHBondContact O-NE1 2.85Å; D12-S32 CarbonylContact O-C 3.6Å; D12-Y33 PolarHBondContact O-N 3.14Å; D12-R77 HydrophobicContact CB-CG 4.09Å; D12-R77 IonicContact OD1-NH2 2.8Å; D12-R77 IonicContact OD2-CZ 3.51Å; D12-R77 IonicContact OD2-NE 3.08Å; D12-R77 PolarHBondContact OD2-NE 2.91Å; D12-R77 IonicContact OD2-NH2 3.26Å; D12-R77 PolarHBondContact OD2-NH2 3.36Å; D12-P79 VanDerWaalsContact OD1-CA 3.29Å; D12-P79 WeakPolarHBondContact OD1-CA 3.12Å; D12-A80 PolarHBondContact OD1-N 2.89Å
13	Y	94.4	Very high	95	Very high	32 Å²	32	49.6 Å²	49.6	13%	0.125	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	137.8	168.4	-60.5	-91.7	0	0	0	110.5	N15 Y30 S78 A80	Y13-N15 PolarHBondContact O-ND2 2.92Å; Y13-Y30 HydrophobicContact CD1-CD1 4.49Å; Y13-Y30 AromaticContact CD1-CD2 3.78Å; Y13-Y30 HydrophobicContact CD1-CD2 3.78Å; Y13-Y30 HydrophobicContact CD1-CE1 4.46Å; Y13-Y30 AromaticContact CD1-CE2 3.7Å; Y13-Y30 HydrophobicContact CD1-CE2 3.7Å; Y13-Y30 HydrophobicContact CD1-CG 4.24Å; Y13-Y30 HydrophobicContact CE1-CD2 4.46Å; Y13-Y30 AromaticContact CE1-CE2 3.93Å; Y13-Y30 HydrophobicContact CE1-CE2 3.93Å; Y13-S78 PolarHBondContact N-O 2.76Å; Y13-S78 PolarHBondContact O-N 3.26Å; Y13-A80 HydrophobicContact CD2-CB 3.99Å; Y13-A80 HydrophobicContact CE2-CB 3.73Å
14	W	96	Very high	95	Very high	10 Å²	10	52.9 Å²	52.9	4%	0.038	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	118.1	-177.1	-58.2	95.6	0	0	0	110.2	V4 S8 I9 D12 Y30 I31 Y58 R77	V4-W14 HydrophobicContact CB-CH2 4.35Å; V4-W14 HydrophobicContact CB-CZ3 4.42Å; V4-W14 HydrophobicContact CG1-CH2 3.53Å; V4-W14 HydrophobicContact CG1-CZ2 4.31Å; V4-W14 HydrophobicContact CG1-CZ3 3.92Å; V4-W14 HydrophobicContact CG2-CE3 3.93Å; V4-W14 HydrophobicContact CG2-CH2 3.91Å; V4-W14 HydrophobicContact CG2-CZ3 3.56Å; S8-W14 WeakPolarHBondContact O-CZ2 3.38Å; I9-W14 HydrophobicContact CB-CZ2 4.43Å; I9-W14 HydrophobicContact CG2-CD2 4.32Å; I9-W14 HydrophobicContact CG2-CZ2 4.23Å; I9-W14 PolarHBondContact O-NE1 3.07Å; D12-W14 HydrophobicContact CB-CZ2 4.08Å; D12-W14 PolarHBondContact O-NE1 2.85Å; W14-Y30 CarbonylContact O-C 3.55Å; W14-Y30 WeakPolarHBondContact O-CA 3.36Å; W14-Y30 WeakPolarHBondContact O-CB 3.38Å; W14-I31 HydrophobicContact CB-CG2 4.08Å; W14-I31 PolarHBondContact N-O 2.88Å; W14-I31 PolarHBondContact O-N 3.41Å; W14-Y58 HydrophobicContact CB-CD1 4.06Å; W14-Y58 HydrophobicContact CB-CD2 3.85Å; W14-Y58 HydrophobicContact CB-CE1 3.91Å; W14-Y58 HydrophobicContact CB-CE2 3.71Å; W14-Y58 HydrophobicContact CB-CG 4.01Å; W14-Y58 HydrophobicContact CD2-CD1 4.44Å; W14-Y58 HydrophobicContact CD2-CE1 4.04Å; W14-Y58 HydrophobicContact CE3-CD1 4.46Å; W14-Y58 AromaticContact CE3-CE1 3.66Å; W14-Y58 HydrophobicContact CE3-CE1 3.66Å; W14-Y58 AromaticContact CE3-CZ 3.99Å; W14-Y58 HydrophobicContact CG-CD1 4.26Å; W14-Y58 HydrophobicContact CG-CE1 4.15Å; W14-R77 HydrophobicContact CE3-CB 4.1Å; W14-R77 HydrophobicContact CE3-CG 4.37Å; W14-R77 HydrophobicContact CH2-CB 4.18Å; W14-R77 HydrophobicContact CH2-CG 3.84Å; W14-R77 HydrophobicContact CZ2-CG 4.37Å; W14-R77 HydrophobicContact CZ3-CB 3.66Å; W14-R77 HydrophobicContact CZ3-CG 3.83Å
15	N	96.8	Very high	94.9	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	150.6	-160.5	-56.4	-94.1	0	0	0	110.6	Y13 I17 Y27 G29 Y30 C75 A76 S78 F88	Y13-N15 PolarHBondContact O-ND2 2.92Å; N15-I17 HydrophobicContact CB-CD1 3.96Å; N15-Y27 HydrophobicContact CB-CE2 4.12Å; N15-Y27 PolarHBondContact OD1-OH 2.71Å; N15-G29 WeakPolarHBondContact CA-O 3.34Å; N15-Y30 WeakPolarHBondContact OD1-CB 3.46Å; N15-C75 CarbonylContact O-C 3.55Å; N15-C75 WeakPolarHBondContact O-CA 3.26Å; N15-A76 HydrophobicContact CB-CB 4.35Å; N15-A76 WeakPolarHBondContact CB-O 3.05Å; N15-A76 PolarHBondContact N-O 3.33Å; N15-A76 PolarHBondContact ND2-O 3.43Å; N15-A76 VanDerWaalsContact ND2-O 3.12Å; N15-A76 PolarHBondContact O-N 3.04Å; N15-S78 PolarHBondContact ND2-OG 3.04Å; N15-F88 HydrophobicContact CB-CD1 4.39Å; N15-F88 HydrophobicContact CB-CE1 3.76Å; N15-F88 HydrophobicContact CB-CZ 4.46Å
16	W	97.8	Very high	95.1	Very high	10 Å²	10	52.6 Å²	52.6	4%	0.038	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.2	169.7	-73.2	100.3	0	0	0	110.3	C2 M28 G29 Y58 L60 Y74 C75	C2-W16 HydrophobicContact CB-CH2 3.85Å; C2-W16 HydrophobicContact CB-CZ2 3.89Å; W16-M28 HydrophobicContact CB-CB 4.04Å; W16-M28 HydrophobicContact CB-SD 4.41Å; W16-M28 WeakPolarHBondContact O-CB 3.2Å; W16-M28 PolarHBondContact O-N 3.1Å; W16-G29 PolarHBondContact N-O 2.76Å; W16-Y58 HydrophobicContact CD2-CE2 4.44Å; W16-Y58 AromaticContact CE2-CD2 3.84Å; W16-Y58 AromaticContact CE2-CE2 3.68Å; W16-Y58 HydrophobicContact CZ2-CD2 4.05Å; W16-Y58 AromaticContact CZ2-CE2 3.96Å; W16-Y58 HydrophobicContact CZ2-CE2 3.96Å; W16-Y58 AromaticContact NE1-CD2 3.34Å; W16-Y58 VanDerWaalsContact NE1-CD2 3.34Å; W16-Y58 AromaticContact NE1-CE2 3.46Å; W16-L60 HydrophobicContact CB-CD2 4.28Å; W16-L60 HydrophobicContact CD2-CB 3.62Å; W16-L60 HydrophobicContact CD2-CD2 3.97Å; W16-L60 HydrophobicContact CD2-CG 4.34Å; W16-L60 VanDerWaalsContact CE2-CB 3.46Å; W16-L60 HydrophobicContact CE3-CB 4.16Å; W16-L60 HydrophobicContact CE3-CD2 3.99Å; W16-L60 HydrophobicContact CG-CB 3.92Å; W16-L60 HydrophobicContact CG-CD1 4.32Å; W16-L60 HydrophobicContact CG-CD2 4.1Å; W16-L60 HydrophobicContact CG-CG 4.35Å; W16-L60 HydrophobicContact CH2-CB 4.42Å; W16-L60 HydrophobicContact CZ2-CB 3.91Å; W16-Y74 WeakPolarHBondContact CA-O 3.44Å; W16-C75 HydrophobicContact CE3-CB 4.15Å; W16-C75 HydrophobicContact CH2-CB 3.91Å; W16-C75 HydrophobicContact CZ2-CB 4.28Å; W16-C75 HydrophobicContact CZ3-CB 3.85Å
17	I	97.4	Very high	95.3	Very high	5 Å²	5	51 Å²	51	3%	0.026	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.5	177	-55.7	90.8	0	0	0	107.2	N15 L25 E26 Y27 Y74 A76 F88 W91	N15-I17 HydrophobicContact CB-CD1 3.96Å; I17-L25 HydrophobicContact CG2-CB 4.33Å; I17-L25 HydrophobicContact CG2-CD2 3.93Å; I17-E26 WeakPolarHBondContact CA-O 3.33Å; I17-E26 WeakPolarHBondContact CG2-O 3.34Å; I17-Y27 HydrophobicContact CG1-CD2 4.07Å; I17-Y74 PolarHBondContact N-O 3.09Å; I17-Y74 PolarHBondContact O-N 2.84Å; I17-A76 HydrophobicContact CD1-CB 3.67Å; I17-F88 HydrophobicContact CD1-CE1 4.46Å; I17-F88 HydrophobicContact CD1-CE2 4.44Å; I17-F88 HydrophobicContact CD1-CZ 4.24Å; I17-W91 HydrophobicContact CB-CH2 3.94Å; I17-W91 HydrophobicContact CB-CZ3 3.81Å; I17-W91 HydrophobicContact CD1-CH2 3.78Å; I17-W91 HydrophobicContact CD1-CZ2 4.42Å; I17-W91 HydrophobicContact CD1-CZ3 3.88Å; I17-W91 HydrophobicContact CG1-CH2 3.75Å; I17-W91 HydrophobicContact CG1-CZ3 4.01Å; I17-W91 HydrophobicContact CG2-CH2 3.95Å; I17-W91 HydrophobicContact CG2-CZ3 4.04Å
18	R	97.4	Very high	95.5	Very high	12 Å²	12	46.8 Å²	46.8	5%	0.045	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	144.8	169	66	-179.7	177.8	171.5	3.1	111.4	F20 L25 E26 M28 D69 A71 T72 Y73	R18-F20 HydrophobicContact CG-CE2 4.32Å; R18-F20 HydrophobicContact CG-CZ 4.25Å; R18-L25 CarbonylContact O-C 3.52Å; R18-L25 WeakPolarHBondContact O-CA 3.5Å; R18-E26 HydrophobicContact CG-CB 4.11Å; R18-E26 IonicContact CZ-OE2 3.74Å; R18-E26 PolarHBondContact N-O 3.01Å; R18-E26 IonicContact NE-OE2 2.71Å; R18-E26 PolarHBondContact NE-OE2 2.77Å; R18-E26 IonicContact NH2-OE2 3.91Å; R18-E26 PolarHBondContact NH2-OE2 2.93Å; R18-E26 PolarHBondContact O-N 2.74Å; R18-M28 HydrophobicContact CB-SD 4.03Å; R18-M28 HydrophobicContact CG-CG 4.23Å; R18-M28 HydrophobicContact CG-SD 4.05Å; R18-D69 IonicContact CZ-OD1 2.68Å; R18-D69 IonicContact NH1-OD1 3.78Å; R18-D69 PolarHBondContact NH1-OD1 3.03Å; R18-D69 IonicContact NH2-OD1 3.73Å; R18-A71 HydrophobicContact CB-CB 4Å; R18-A71 HydrophobicContact CG-CB 4.45Å; R18-T72 CarbonylContact C-O 3.53Å; R18-T72 WeakPolarHBondContact CA-O 3.31Å; R18-Y73 HydrophobicContact CB-CD1 3.9Å; R18-Y73 HydrophobicContact CB-CE1 3.92Å; R18-Y73 HydrophobicContact CB-CG 4.23Å; R18-Y73 PolarHBondContact NH1-OH 3.09Å
19	K	98	Very high	95.7	Very high	64 Å²	64	44.6 Å²	44.6	28%	0.278	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	116.7	178.4	-169.8	-178.4	172.5	-169.3	0	108.9	N23 K24 L25 A71 T72 Y74	K19-N23 WeakPolarHBondContact CE-OD1 3.33Å; K19-N23 PolarHBondContact NZ-OD1 3.36Å; K19-K24 CarbonylContact C-O 3.59Å; K19-K24 WeakPolarHBondContact CA-O 3.4Å; K19-L25 HydrophobicContact CB-CD2 3.63Å; K19-L25 HydrophobicContact CD-CD2 4.19Å; K19-L25 HydrophobicContact CG-CD2 3.75Å; K19-A71 WeakPolarHBondContact O-CA 3.49Å; K19-A71 WeakPolarHBondContact O-CB 3.33Å; K19-T72 PolarHBondContact N-O 2.75Å; K19-T72 PolarHBondContact O-N 2.85Å; K19-Y74 HydrophobicContact CB-CD2 4.27Å; K19-Y74 HydrophobicContact CB-CE2 3.61Å; K19-Y74 HydrophobicContact CD-CE2 4.24Å
20	F	97.6	Very high	95.7	Very high	41 Å²	41	46.6 Å²	46.6	18%	0.18	26%	0.255	C	S	.	.			trans	-77	159.3	178	-64	-78.7	0	0	0	111.7	R18 G22 N23 K24 E26 E68 A71	R18-F20 HydrophobicContact CG-CE2 4.32Å; R18-F20 HydrophobicContact CG-CZ 4.25Å; F20-G22 PolarHBondContact O-N 3.49Å; F20-N23 PolarHBondContact O-N 2.95Å; F20-K24 HydrophobicContact CB-CB 4.48Å; F20-K24 HydrophobicContact CD2-CB 4.29Å; F20-K24 HydrophobicContact CD2-CD 4.41Å; F20-K24 HydrophobicContact CD2-CG 4.35Å; F20-K24 PolarHBondContact N-O 2.83Å; F20-E26 HydrophobicContact CE2-CB 3.81Å; F20-E68 WeakPolarHBondContact CE1-O 3.19Å; F20-A71 HydrophobicContact CD1-CB 4.07Å; F20-A71 HydrophobicContact CE1-CB 4.33Å
21	P	93.6	Very high	95.8	Very high	107 Å²	107	43.8 Å²	43.8	70%	0.695	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.2	129.7	158.6	-23.9	34.2	0	0	0	109.7	T70	P21-T70 WeakPolarHBondContact CD-O 3.41Å
22	G	94.1	Very high	96	Very high	72 Å²	72	40.9 Å²	40.9	74%	0.742	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.5	10.4	-171.2	0	0	0	0	0	115.3	F20 K24	F20-G22 PolarHBondContact O-N 3.49Å; G22-K24 VanDerWaalsContact C-N 3.27Å; G22-K24 PolarHBondContact O-N 2.93Å
23	N	91.8	Very high	96	Very high	115 Å²	115	45.3 Å²	45.3	62%	0.615	23%	0.234	S	C	*	.	S	Bend	trans	67.7	10.4	170.8	-58.1	-58.7	0	0	0	116.8	K19 F20 L25	K19-N23 WeakPolarHBondContact CE-OD1 3.33Å; K19-N23 PolarHBondContact NZ-OD1 3.36Å; F20-N23 PolarHBondContact O-N 2.95Å; N23-L25 PolarHBondContact O-N 3.18Å
24	K	95.8	Very high	96	Very high	143 Å²	143	47.1 Å²	47.1	62%	0.622	25%	0.251	S	S	*	.			trans	-68.7	127.8	171	-177.3	-178.1	176.1	-173.5	0	110.1	K19 F20 G22	K19-K24 CarbonylContact C-O 3.59Å; K19-K24 WeakPolarHBondContact CA-O 3.4Å; F20-K24 HydrophobicContact CB-CB 4.48Å; F20-K24 HydrophobicContact CD2-CB 4.29Å; F20-K24 HydrophobicContact CD2-CD 4.41Å; F20-K24 HydrophobicContact CD2-CG 4.35Å; F20-K24 PolarHBondContact N-O 2.83Å; G22-K24 VanDerWaalsContact C-N 3.27Å; G22-K24 PolarHBondContact O-N 2.93Å
25	L	95.6	Very high	95.9	Very high	97 Å²	97	48 Å²	48	51%	0.508	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	141.7	173.1	-67.8	170.1	0	0	0	110.7	I17 R18 K19 N23	I17-L25 HydrophobicContact CG2-CB 4.33Å; I17-L25 HydrophobicContact CG2-CD2 3.93Å; R18-L25 CarbonylContact O-C 3.52Å; R18-L25 WeakPolarHBondContact O-CA 3.5Å; K19-L25 HydrophobicContact CB-CD2 3.63Å; K19-L25 HydrophobicContact CD-CD2 4.19Å; K19-L25 HydrophobicContact CG-CD2 3.75Å; N23-L25 PolarHBondContact O-N 3.18Å
26	E	96.9	Very high	95.9	Very high	42 Å²	42	51.3 Å²	51.3	20%	0.196	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	121.5	169.9	-178.2	176.1	-120.3	0	0	109.9	I17 R18 F20	I17-E26 WeakPolarHBondContact CA-O 3.33Å; I17-E26 WeakPolarHBondContact CG2-O 3.34Å; R18-E26 HydrophobicContact CG-CB 4.11Å; R18-E26 IonicContact CZ-OE2 3.74Å; R18-E26 PolarHBondContact N-O 3.01Å; R18-E26 IonicContact NE-OE2 2.71Å; R18-E26 PolarHBondContact NE-OE2 2.77Å; R18-E26 IonicContact NH2-OE2 3.91Å; R18-E26 PolarHBondContact NH2-OE2 2.93Å; R18-E26 PolarHBondContact O-N 2.74Å; F20-E26 HydrophobicContact CE2-CB 3.81Å
27	Y	96.3	Very high	95.8	Very high	47 Å²	47	53.6 Å²	53.6	18%	0.184	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	127.7	174.2	179	-103.6	0	0	0	109.9	N15 I17 G29 Y30 Y38 N40 F88	N15-Y27 HydrophobicContact CB-CE2 4.12Å; N15-Y27 PolarHBondContact OD1-OH 2.71Å; I17-Y27 HydrophobicContact CG1-CD2 4.07Å; Y27-G29 PolarHBondContact OH-O 2.8Å; Y27-Y30 WeakPolarHBondContact OH-CB 3.45Å; Y27-Y30 WeakPolarHBondContact OH-CD1 3.42Å; Y27-Y30 PolarHBondContact OH-N 3.26Å; Y27-Y38 AromaticContact CE1-CD1 3.89Å; Y27-Y38 HydrophobicContact CE1-CD1 3.89Å; Y27-Y38 AromaticContact CE1-CE1 3.87Å; Y27-Y38 HydrophobicContact CE1-CE1 3.87Å; Y27-N40 WeakPolarHBondContact O-CB 3.4Å; Y27-N40 PolarHBondContact O-ND2 2.92Å; Y27-F88 HydrophobicContact CD2-CZ 4.15Å; Y27-F88 HydrophobicContact CE2-CZ 4.07Å
28	M	97.1	Very high	95.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-39.2	-175.4	-56.4	-175	68.5	0	0	112.3	W16 R18 N40 L43 I47 L60 Y73	W16-M28 HydrophobicContact CB-CB 4.04Å; W16-M28 HydrophobicContact CB-SD 4.41Å; W16-M28 WeakPolarHBondContact O-CB 3.2Å; W16-M28 PolarHBondContact O-N 3.1Å; R18-M28 HydrophobicContact CB-SD 4.03Å; R18-M28 HydrophobicContact CG-CG 4.23Å; R18-M28 HydrophobicContact CG-SD 4.05Å; M28-N40 WeakPolarHBondContact O-CB 3.49Å; M28-N40 PolarHBondContact O-N 2.67Å; M28-L43 HydrophobicContact CB-CD1 4.12Å; M28-L43 HydrophobicContact CE-CD1 4.17Å; M28-L43 HydrophobicContact CG-CD1 3.92Å; M28-I47 HydrophobicContact CB-CD1 4.13Å; M28-I47 HydrophobicContact CE-CG2 3.8Å; M28-I47 WeakPolarHBondContact O-CD1 3.47Å; M28-L60 HydrophobicContact CE-CD1 4.12Å; M28-L60 HydrophobicContact CE-CD2 3.69Å; M28-L60 HydrophobicContact CE-CG 4.46Å; M28-L60 HydrophobicContact SD-CD2 3.75Å; M28-Y73 HydrophobicContact CE-CD1 4.41Å; M28-Y73 HydrophobicContact CE-CE1 3.85Å; M28-Y73 HydrophobicContact SD-CD1 3.7Å; M28-Y73 HydrophobicContact SD-CE1 3.62Å
29	G	96.8	Very high	95.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154	179.3	-176.5	0	0	0	0	0	112.9	N15 W16 Y27 Y38	N15-G29 WeakPolarHBondContact CA-O 3.34Å; W16-G29 PolarHBondContact N-O 2.76Å; Y27-G29 PolarHBondContact OH-O 2.8Å; G29-Y38 CarbonylContact C-O 3.56Å; G29-Y38 WeakPolarHBondContact CA-O 3.43Å
30	Y	96.6	Very high	95.7	Very high	43 Å²	43	57.7 Å²	57.7	17%	0.169	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	163.5	175.6	70.7	-116.2	0	0	0	112.5	Y13 W14 N15 Y27 T37 Y38 P85	Y13-Y30 HydrophobicContact CD1-CD1 4.49Å; Y13-Y30 AromaticContact CD1-CD2 3.78Å; Y13-Y30 HydrophobicContact CD1-CD2 3.78Å; Y13-Y30 HydrophobicContact CD1-CE1 4.46Å; Y13-Y30 AromaticContact CD1-CE2 3.7Å; Y13-Y30 HydrophobicContact CD1-CE2 3.7Å; Y13-Y30 HydrophobicContact CD1-CG 4.24Å; Y13-Y30 HydrophobicContact CE1-CD2 4.46Å; Y13-Y30 AromaticContact CE1-CE2 3.93Å; Y13-Y30 HydrophobicContact CE1-CE2 3.93Å; W14-Y30 CarbonylContact O-C 3.55Å; W14-Y30 WeakPolarHBondContact O-CA 3.36Å; W14-Y30 WeakPolarHBondContact O-CB 3.38Å; N15-Y30 WeakPolarHBondContact OD1-CB 3.46Å; Y27-Y30 WeakPolarHBondContact OH-CB 3.45Å; Y27-Y30 WeakPolarHBondContact OH-CD1 3.42Å; Y27-Y30 PolarHBondContact OH-N 3.26Å; Y30-T37 VanDerWaalsContact O-CA 3.27Å; Y30-T37 WeakPolarHBondContact O-CA 3.02Å; Y30-Y38 VanDerWaalsContact CE1-CB 3.46Å; Y30-Y38 HydrophobicContact CE1-CD1 4.45Å; Y30-Y38 HydrophobicContact CE1-CG 4.09Å; Y30-Y38 VanDerWaalsContact CZ-CB 3.48Å; Y30-Y38 PolarHBondContact N-O 2.68Å; Y30-Y38 PolarHBondContact O-N 2.75Å; Y30-P85 HydrophobicContact CE1-CB 4.37Å
31	I	97.3	Very high	95.6	Very high	7 Å²	7	60.4 Å²	60.4	4%	0.036	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.4	157.2	-170.4	162.2	0	0	0	109.7	W14 T37 I49 R51	W14-I31 HydrophobicContact CB-CG2 4.08Å; W14-I31 PolarHBondContact N-O 2.88Å; W14-I31 PolarHBondContact O-N 3.41Å; I31-T37 HydrophobicContact CB-CG2 4.16Å; I31-T37 HydrophobicContact CD1-CG2 4Å; I31-T37 HydrophobicContact CG1-CG2 3.95Å; I31-I49 HydrophobicContact CB-CG2 3.73Å; I31-I49 HydrophobicContact CG2-CG2 3.74Å; I31-R51 HydrophobicContact CD1-CB 4.01Å; I31-R51 HydrophobicContact CD1-CG 3.77Å
32	S	95.2	Very high	95.6	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.021	34%	0.338	C	S	.	.			trans	-80.9	170.4	-179.5	70.7	0	0	0	0	111.8	D12 S34 G35 S36 R51	D12-S32 CarbonylContact O-C 3.6Å; S32-S34 PolarHBondContact O-N 2.05Å; S32-S34 PolarHBondContact OG-N 3.16Å; S32-S34 PolarHBondContact OG-OG 2.73Å; S32-G35 WeakPolarHBondContact O-CA 3.08Å; S32-G35 PolarHBondContact O-N 3.49Å; S32-G35 PolarHBondContact OG-N 2.94Å; S32-S36 PolarHBondContact N-O 2.78Å; S32-S36 WeakPolarHBondContact OG-CB 3.32Å; S32-S36 PolarHBondContact OG-N 2.79Å; S32-S36 PolarHBondContact OG-O 3.12Å; S32-R51 PolarHBondContact O-NH1 2.88Å
33	Y	93.1	Very high	95.7	Very high	102 Å²	102	56.5 Å²	56.5	40%	0.4	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.1	170	68.3	-92.1	0	0	0	114	T10 D12 G35 R51 A80	T10-Y33 VanDerWaalsContact C-CB 3.44Å; T10-Y33 WeakPolarHBondContact O-CB 3.31Å; D12-Y33 PolarHBondContact O-N 3.14Å; Y33-G35 VanDerWaalsContact C-N 3.34Å; Y33-R51 VanDerWaalsContact O-CZ 3.31Å; Y33-R51 PolarHBondContact O-NH1 2.88Å; Y33-R51 PolarHBondContact O-NH2 2.85Å; Y33-A80 HydrophobicContact CD1-CB 3.87Å; Y33-A80 HydrophobicContact CE1-CB 3.98Å
34	S	94.2	Very high	95.8	Very high	69 Å²	69	57.8 Å²	57.8	48%	0.483	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-9.4	173.2	60.4	0	0	0	0	113.2	S32 S36 R51	S32-S34 PolarHBondContact O-N 2.05Å; S32-S34 PolarHBondContact OG-N 3.16Å; S32-S34 PolarHBondContact OG-OG 2.73Å; S34-S36 PolarHBondContact OG-OG 3.27Å; S34-S36 VanDerWaalsContact OG-OG 3.1Å; S34-R51 VanDerWaalsContact C-NH2 3.26Å; S34-R51 PolarHBondContact O-NH2 3.29Å
35	G	95.7	Very high	95.8	Very high	28 Å²	28	56.3 Å²	56.3	29%	0.289	31%	0.312	S	S	.	.	S	Bend	trans	89.4	2.5	-175.7	0	0	0	0	0	113.6	S32 Y33	S32-G35 WeakPolarHBondContact O-CA 3.08Å; S32-G35 PolarHBondContact O-N 3.49Å; S32-G35 PolarHBondContact OG-N 2.94Å; Y33-G35 VanDerWaalsContact C-N 3.34Å
36	S	95.4	Very high	95.8	Very high	71 Å²	71	54.1 Å²	54.1	50%	0.497	30%	0.297	S	S	.	.			trans	-69.6	132.9	174.1	-54	0	0	0	0	110.1	S32 S34	S32-S36 PolarHBondContact N-O 2.78Å; S32-S36 WeakPolarHBondContact OG-CB 3.32Å; S32-S36 PolarHBondContact OG-N 2.79Å; S32-S36 PolarHBondContact OG-O 3.12Å; S34-S36 PolarHBondContact OG-OG 3.27Å; S34-S36 VanDerWaalsContact OG-OG 3.1Å
37	T	97	Very high	95.8	Very high	57 Å²	57	52.5 Å²	52.5	35%	0.35	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	141.6	-178.2	55.4	0	0	0	0	111.8	Y30 I31 Y39	Y30-T37 VanDerWaalsContact O-CA 3.27Å; Y30-T37 WeakPolarHBondContact O-CA 3.02Å; I31-T37 HydrophobicContact CB-CG2 4.16Å; I31-T37 HydrophobicContact CD1-CG2 4Å; I31-T37 HydrophobicContact CG1-CG2 3.95Å; T37-Y39 VanDerWaalsContact OG1-CE2 3.28Å; T37-Y39 WeakPolarHBondContact OG1-CE2 3.12Å
38	Y	96.2	Very high	95.9	Very high	91 Å²	91	52.1 Å²	52.1	36%	0.357	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.1	163.5	175.4	-89.4	0	0	0	109.2	Y27 G29 Y30	Y27-Y38 AromaticContact CE1-CD1 3.89Å; Y27-Y38 HydrophobicContact CE1-CD1 3.89Å; Y27-Y38 AromaticContact CE1-CE1 3.87Å; Y27-Y38 HydrophobicContact CE1-CE1 3.87Å; G29-Y38 CarbonylContact C-O 3.56Å; G29-Y38 WeakPolarHBondContact CA-O 3.43Å; Y30-Y38 VanDerWaalsContact CE1-CB 3.46Å; Y30-Y38 HydrophobicContact CE1-CD1 4.45Å; Y30-Y38 HydrophobicContact CE1-CG 4.09Å; Y30-Y38 VanDerWaalsContact CZ-CB 3.48Å; Y30-Y38 PolarHBondContact N-O 2.68Å; Y30-Y38 PolarHBondContact O-N 2.75Å
39	Y	97.1	Very high	96	Very high	46 Å²	46	52.3 Å²	52.3	18%	0.18	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	141.6	178.7	-59	-74.4	0	0	0	109.9	T37 P41 K44 I47 I49	T37-Y39 VanDerWaalsContact OG1-CE2 3.28Å; T37-Y39 WeakPolarHBondContact OG1-CE2 3.12Å; Y39-P41 WeakPolarHBondContact O-CD 3.37Å; Y39-K44 HydrophobicContact CD2-CG 4.31Å; Y39-K44 HydrophobicContact CG-CG 4.34Å; Y39-I47 HydrophobicContact CD1-CD1 3.74Å; Y39-I47 HydrophobicContact CD1-CG1 3.63Å; Y39-I47 HydrophobicContact CE1-CG1 4.14Å; Y39-I49 HydrophobicContact CD1-CD1 4.22Å; Y39-I49 HydrophobicContact CD1-CG1 4.46Å; Y39-I49 HydrophobicContact CE1-CB 4.18Å; Y39-I49 HydrophobicContact CE1-CD1 4.1Å; Y39-I49 HydrophobicContact CE1-CG1 3.92Å; Y39-I49 PolarHBondContact OH-N 3.34Å
40	N	96.2	Very high	96	Very high	30 Å²	30	55.4 Å²	55.4	16%	0.16	31%	0.313	C	S	.	.			trans	-59.3	125.3	164	-178.4	-29.5	0	0	0	108.9	Y27 M28 S42 L43 K44	Y27-N40 WeakPolarHBondContact O-CB 3.4Å; Y27-N40 PolarHBondContact O-ND2 2.92Å; M28-N40 WeakPolarHBondContact O-CB 3.49Å; M28-N40 PolarHBondContact O-N 2.67Å; N40-S42 PolarHBondContact O-N 2.93Å; N40-S42 VanDerWaalsContact O-N 3.12Å; N40-S42 PolarHBondContact OD1-N 2.98Å; N40-L43 HydrophobicContact CB-CB 4.43Å; N40-L43 HydrophobicContact CB-CD1 4.32Å; N40-L43 PolarHBondContact O-N 2.88Å; N40-K44 PolarHBondContact O-N 2.76Å
41	P	96.2	Very high	96.1	Very high	98 Å²	98	56.8 Å²	56.8	64%	0.636	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-37.8	-178.4	-29.5	35.9	0	0	0	114.1	Y39 L43	Y39-P41 WeakPolarHBondContact O-CD 3.37Å; P41-L43 PolarHBondContact O-N 3.3Å
42	S	94.1	Very high	96.1	Very high	93 Å²	93	58.1 Å²	58.1	65%	0.65	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-19.2	-179.9	-58.2	0	0	0	0	113.8	N40	N40-S42 PolarHBondContact O-N 2.93Å; N40-S42 VanDerWaalsContact O-N 3.12Å; N40-S42 PolarHBondContact OD1-N 2.98Å
43	L	95.4	Very high	96.2	Very high	5 Å²	5	61.8 Å²	61.8	3%	0.026	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-10.9	-176.6	-62.1	174.3	0	0	0	113	M28 N40 P41 S45 R46 I47	M28-L43 HydrophobicContact CB-CD1 4.12Å; M28-L43 HydrophobicContact CE-CD1 4.17Å; M28-L43 HydrophobicContact CG-CD1 3.92Å; N40-L43 HydrophobicContact CB-CB 4.43Å; N40-L43 HydrophobicContact CB-CD1 4.32Å; N40-L43 PolarHBondContact O-N 2.88Å; P41-L43 PolarHBondContact O-N 3.3Å; L43-S45 PolarHBondContact O-N 3.29Å; L43-R46 PolarHBondContact O-N 2.86Å; L43-I47 HydrophobicContact CB-CD1 3.87Å; L43-I47 HydrophobicContact CB-CG1 4.18Å; L43-I47 HydrophobicContact CB-CG2 4.16Å; L43-I47 WeakPolarHBondContact O-CG1 3.3Å; L43-I47 PolarHBondContact O-N 3.43Å
44	K	94.1	Very high	96.3	Very high	142 Å²	142	61.8 Å²	61.8	62%	0.617	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-31.5	-170.1	-173.7	176.3	-179.5	-177.3	0	114.6	Y39 N40	Y39-K44 HydrophobicContact CD2-CG 4.31Å; Y39-K44 HydrophobicContact CG-CG 4.34Å; N40-K44 PolarHBondContact O-N 2.76Å
45	S	95.6	Very high	96.5	Very high	112 Å²	112	64.3 Å²	64.3	78%	0.783	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-18.3	178	57.5	0	0	0	0	114	L43	L43-S45 PolarHBondContact O-N 3.29Å
46	R	95.9	Very high	96.6	Very high	51 Å²	51	64.6 Å²	64.6	19%	0.192	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-19.3	-172.7	-56.3	-160.6	-59.4	132	-0.6	113.6	L43 L62 N63 S64 D69	L43-R46 PolarHBondContact O-N 2.86Å; R46-L62 HydrophobicContact CB-CD1 4.3Å; R46-N63 PolarHBondContact O-N 3.27Å; R46-S64 PolarHBondContact NH1-O 2.93Å; R46-D69 IonicContact CZ-OD1 2.75Å; R46-D69 IonicContact CZ-OD2 3.86Å; R46-D69 IonicContact NH1-OD1 2.73Å; R46-D69 PolarHBondContact NH1-OD1 3.13Å; R46-D69 IonicContact NH1-OD2 3.57Å; R46-D69 PolarHBondContact NH1-OD2 3.08Å; R46-D69 IonicContact NH2-OD1 3.5Å; R46-D69 PolarHBondContact NH2-OD1 3.13Å; R46-D69 IonicContact NH2-OD2 3.19Å
47	I	97.2	Very high	96.7	Very high	8 Å²	8	63.2 Å²	63.2	4%	0.041	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	146.7	-175.9	71.2	175.6	0	0	0	112.7	M28 Y39 L43 L60 Q61 L62	M28-I47 HydrophobicContact CB-CD1 4.13Å; M28-I47 HydrophobicContact CE-CG2 3.8Å; M28-I47 WeakPolarHBondContact O-CD1 3.47Å; Y39-I47 HydrophobicContact CD1-CD1 3.74Å; Y39-I47 HydrophobicContact CD1-CG1 3.63Å; Y39-I47 HydrophobicContact CE1-CG1 4.14Å; L43-I47 HydrophobicContact CB-CD1 3.87Å; L43-I47 HydrophobicContact CB-CG1 4.18Å; L43-I47 HydrophobicContact CB-CG2 4.16Å; L43-I47 WeakPolarHBondContact O-CG1 3.3Å; L43-I47 PolarHBondContact O-N 3.43Å; I47-L60 HydrophobicContact CB-CD1 4.03Å; I47-L60 HydrophobicContact CG2-CD1 4.31Å; I47-Q61 CarbonylContact C-O 3.57Å; I47-Q61 VanDerWaalsContact CA-O 3.26Å; I47-Q61 WeakPolarHBondContact CA-O 3.12Å; I47-L62 HydrophobicContact CG2-CD1 3.55Å
48	S	97.9	Very high	96.7	Very high	38 Å²	38	60.6 Å²	60.6	27%	0.266	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.6	167.7	178.4	0	0	0	0	108.9	Q61	S48-Q61 PolarHBondContact N-O 2.82Å; S48-Q61 PolarHBondContact O-N 3.06Å
49	I	98.2	Very high	96.8	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.021	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.8	178.1	-58.1	169.3	0	0	0	107.8	I31 Y39 Y59 L60	I31-I49 HydrophobicContact CB-CG2 3.73Å; I31-I49 HydrophobicContact CG2-CG2 3.74Å; Y39-I49 HydrophobicContact CD1-CD1 4.22Å; Y39-I49 HydrophobicContact CD1-CG1 4.46Å; Y39-I49 HydrophobicContact CE1-CB 4.18Å; Y39-I49 HydrophobicContact CE1-CD1 4.1Å; Y39-I49 HydrophobicContact CE1-CG1 3.92Å; Y39-I49 PolarHBondContact OH-N 3.34Å; I49-Y59 WeakPolarHBondContact CA-O 3.39Å; I49-L60 HydrophobicContact CG1-CD1 3.97Å
50	T	98.1	Very high	96.9	Very high	66 Å²	66	58 Å²	58	41%	0.405	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	169.8	-177.6	64.1	0	0	0	0	111	Y58 Y59	T50-Y58 CarbonylContact O-C 3.52Å; T50-Y58 VanDerWaalsContact O-CA 3.32Å; T50-Y58 WeakPolarHBondContact O-CA 3.44Å; T50-Y58 WeakPolarHBondContact O-CB 3.23Å; T50-Y59 PolarHBondContact N-O 2.88Å; T50-Y59 VanDerWaalsContact N-O 3.09Å; T50-Y59 PolarHBondContact O-N 2.74Å
51	R	97.5	Very high	97	Very high	71 Å²	71	61.9 Å²	61.9	27%	0.268	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	151.5	178.9	68.3	-179.3	-175.1	170.5	4.1	112.8	I9 I31 S32 Y33 S34 Q57	I9-R51 HydrophobicContact CD1-CB 3.94Å; I31-R51 HydrophobicContact CD1-CB 4.01Å; I31-R51 HydrophobicContact CD1-CG 3.77Å; S32-R51 PolarHBondContact O-NH1 2.88Å; Y33-R51 VanDerWaalsContact O-CZ 3.31Å; Y33-R51 PolarHBondContact O-NH1 2.88Å; Y33-R51 PolarHBondContact O-NH2 2.85Å; S34-R51 VanDerWaalsContact C-NH2 3.26Å; S34-R51 PolarHBondContact O-NH2 3.29Å; R51-Q57 WeakPolarHBondContact CA-O 3.34Å
52	D	97.6	Very high	97	Very high	36 Å²	36	58.7 Å²	58.7	19%	0.193	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	101	170.7	-175.6	-17.2	0	0	0	107.9	I9 S54 K55 N56 Q57 Y59	I9-D52 WeakPolarHBondContact CD1-O 3.38Å; D52-S54 VanDerWaalsContact C-N 3.26Å; D52-S54 PolarHBondContact O-N 3.09Å; D52-S54 WeakPolarHBondContact OD1-CB 3.41Å; D52-S54 PolarHBondContact OD1-N 2.92Å; D52-S54 PolarHBondContact OD1-OG 3.17Å; D52-K55 HydrophobicContact CB-CB 4.41Å; D52-K55 PolarHBondContact O-N 3.04Å; D52-K55 PolarHBondContact OD1-N 3.12Å; D52-K55 VanDerWaalsContact OD2-CD 3.23Å; D52-K55 WeakPolarHBondContact OD2-CD 3.42Å; D52-K55 VanDerWaalsContact OD2-CE 3.23Å; D52-K55 WeakPolarHBondContact OD2-CE 3.2Å; D52-K55 IonicContact OD2-NZ 2.67Å; D52-K55 PolarHBondContact OD2-NZ 2.95Å; D52-N56 PolarHBondContact O-N 2.82Å; D52-N56 VanDerWaalsContact O-N 3.1Å; D52-Q57 PolarHBondContact N-O 2.8Å; D52-Q57 PolarHBondContact O-N 3.11Å; D52-Q57 VanDerWaalsContact O-N 3.09Å; D52-Y59 HydrophobicContact CB-CE2 3.71Å
53	T	96.6	Very high	97	Very high	79 Å²	79	57.6 Å²	57.6	49%	0.485	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-24.7	-177.8	54.7	0	0	0	0	112.3	I9 T10 K55 N56	I9-T53 HydrophobicContact CD1-CG2 4.15Å; I9-T53 HydrophobicContact CG1-CG2 4.3Å; T10-T53 HydrophobicContact CG2-CG2 3.5Å; T10-T53 VanDerWaalsContact CG2-CG2 3.5Å; T53-K55 PolarHBondContact O-N 3.34Å; T53-N56 PolarHBondContact O-N 3.45Å
54	S	96.8	Very high	96.8	Very high	102 Å²	102	62.1 Å²	62.1	71%	0.713	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-27.3	176.5	75.9	0	0	0	0	112.3	D52	D52-S54 VanDerWaalsContact C-N 3.26Å; D52-S54 PolarHBondContact O-N 3.09Å; D52-S54 WeakPolarHBondContact OD1-CB 3.41Å; D52-S54 PolarHBondContact OD1-N 2.92Å; D52-S54 PolarHBondContact OD1-OG 3.17Å
55	K	97.6	Very high	96.8	Very high	122 Å²	122	58.5 Å²	58.5	53%	0.53	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-2.4	179.9	-63.3	-178.9	-167.3	132.9	0	113.8	D52 T53 Q57	D52-K55 HydrophobicContact CB-CB 4.41Å; D52-K55 PolarHBondContact O-N 3.04Å; D52-K55 PolarHBondContact OD1-N 3.12Å; D52-K55 VanDerWaalsContact OD2-CD 3.23Å; D52-K55 WeakPolarHBondContact OD2-CD 3.42Å; D52-K55 VanDerWaalsContact OD2-CE 3.23Å; D52-K55 WeakPolarHBondContact OD2-CE 3.2Å; D52-K55 IonicContact OD2-NZ 2.67Å; D52-K55 PolarHBondContact OD2-NZ 2.95Å; T53-K55 PolarHBondContact O-N 3.34Å; K55-Q57 HydrophobicContact CB-CB 4.18Å; K55-Q57 HydrophobicContact CB-CG 4.11Å; K55-Q57 PolarHBondContact O-N 3.05Å
56	N	97.4	Very high	96.8	Very high	34 Å²	34	56 Å²	56	18%	0.182	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	42.5	-172.7	-155.6	39.9	0	0	0	112.5	V4 Y7 S8 I9 D52 T53	V4-N56 PolarHBondContact N-O 3.3Å; V4-N56 PolarHBondContact O-ND2 3Å; Y7-N56 PolarHBondContact O-ND2 3.06Å; S8-N56 WeakPolarHBondContact CA-OD1 3.49Å; I9-N56 WeakPolarHBondContact CG2-OD1 3.47Å; I9-N56 PolarHBondContact N-OD1 2.84Å; D52-N56 PolarHBondContact O-N 2.82Å; D52-N56 VanDerWaalsContact O-N 3.1Å; T53-N56 PolarHBondContact O-N 3.45Å
57	Q	98.2	Very high	96.8	Very high	43 Å²	43	57.4 Å²	57.4	20%	0.201	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	150	-175.5	-79.3	174	-0.4	0	0	112	T1 C2 S3 I9 R51 D52 K55 Y59	T1-Q57 HydrophobicContact CG2-CB 4.49Å; T1-Q57 HydrophobicContact CG2-CG 4.32Å; C2-Q57 WeakPolarHBondContact O-CA 3.38Å; S3-Q57 PolarHBondContact OG-NE2 3.01Å; I9-Q57 WeakPolarHBondContact CD1-O 3.43Å; R51-Q57 WeakPolarHBondContact CA-O 3.34Å; D52-Q57 PolarHBondContact N-O 2.8Å; D52-Q57 PolarHBondContact O-N 3.11Å; D52-Q57 VanDerWaalsContact O-N 3.09Å; K55-Q57 HydrophobicContact CB-CB 4.18Å; K55-Q57 HydrophobicContact CB-CG 4.11Å; K55-Q57 PolarHBondContact O-N 3.05Å; Q57-Y59 HydrophobicContact CB-CE1 4.28Å; Q57-Y59 HydrophobicContact CB-CE2 4.18Å; Q57-Y59 WeakPolarHBondContact CB-OH 3.28Å; Q57-Y59 PolarHBondContact OE1-OH 2.9Å
58	Y	97.9	Very high	96.7	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.008	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	156	167.7	67	-75.5	0	0	0	111.1	T1 C2 V4 I9 W14 W16 T50 C75 A76	T1-Y58 CarbonylContact C-O 3.47Å; C2-Y58 HydrophobicContact CB-CD1 4Å; C2-Y58 HydrophobicContact CB-CE1 3.54Å; C2-Y58 HydrophobicContact CB-CE2 4.09Å; C2-Y58 HydrophobicContact CB-CG 4.47Å; C2-Y58 PolarHBondContact N-O 2.79Å; C2-Y58 PolarHBondContact O-N 3.43Å; C2-Y58 WeakPolarHBondContact SG-CE1 3.15Å; C2-Y58 VanDerWaalsContact SG-CZ 3.54Å; C2-Y58 PolarHBondContact SG-OH 3.21Å; V4-Y58 HydrophobicContact CG2-CD1 4.13Å; V4-Y58 HydrophobicContact CG2-CE1 3.75Å; I9-Y58 HydrophobicContact CG2-CD1 4.29Å; W14-Y58 HydrophobicContact CB-CD1 4.06Å; W14-Y58 HydrophobicContact CB-CD2 3.85Å; W14-Y58 HydrophobicContact CB-CE1 3.91Å; W14-Y58 HydrophobicContact CB-CE2 3.71Å; W14-Y58 HydrophobicContact CB-CG 4.01Å; W14-Y58 HydrophobicContact CD2-CD1 4.44Å; W14-Y58 HydrophobicContact CD2-CE1 4.04Å; W14-Y58 HydrophobicContact CE3-CD1 4.46Å; W14-Y58 AromaticContact CE3-CE1 3.66Å; W14-Y58 HydrophobicContact CE3-CE1 3.66Å; W14-Y58 AromaticContact CE3-CZ 3.99Å; W14-Y58 HydrophobicContact CG-CD1 4.26Å; W14-Y58 HydrophobicContact CG-CE1 4.15Å; W16-Y58 HydrophobicContact CD2-CE2 4.44Å; W16-Y58 AromaticContact CE2-CD2 3.84Å; W16-Y58 AromaticContact CE2-CE2 3.68Å; W16-Y58 HydrophobicContact CZ2-CD2 4.05Å; W16-Y58 AromaticContact CZ2-CE2 3.96Å; W16-Y58 HydrophobicContact CZ2-CE2 3.96Å; W16-Y58 AromaticContact NE1-CD2 3.34Å; W16-Y58 VanDerWaalsContact NE1-CD2 3.34Å; W16-Y58 AromaticContact NE1-CE2 3.46Å; T50-Y58 CarbonylContact O-C 3.52Å; T50-Y58 VanDerWaalsContact O-CA 3.32Å; T50-Y58 WeakPolarHBondContact O-CA 3.44Å; T50-Y58 WeakPolarHBondContact O-CB 3.23Å; Y58-C75 HydrophobicContact CE2-CB 4.09Å; Y58-C75 WeakPolarHBondContact OH-CB 3.41Å; Y58-A76 PolarHBondContact OH-N 2.95Å
59	Y	98.2	Very high	96.6	Very high	52 Å²	52	62.5 Å²	62.5	20%	0.204	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.1	-165.1	-47.8	-88.5	0	0	0	110	T1 I49 T50 D52 Q57	T1-Y59 HydrophobicContact CG2-CD1 3.62Å; T1-Y59 HydrophobicContact CG2-CE1 3.36Å; T1-Y59 VanDerWaalsContact OG1-CD1 3.31Å; T1-Y59 WeakPolarHBondContact OG1-CD1 2.86Å; I49-Y59 WeakPolarHBondContact CA-O 3.39Å; T50-Y59 PolarHBondContact N-O 2.88Å; T50-Y59 VanDerWaalsContact N-O 3.09Å; T50-Y59 PolarHBondContact O-N 2.74Å; D52-Y59 HydrophobicContact CB-CE2 3.71Å; Q57-Y59 HydrophobicContact CB-CE1 4.28Å; Q57-Y59 HydrophobicContact CB-CE2 4.18Å; Q57-Y59 WeakPolarHBondContact CB-OH 3.28Å; Q57-Y59 PolarHBondContact OE1-OH 2.9Å
60	L	98.2	Very high	96.6	Very high	31 Å²	31	63.9 Å²	63.9	16%	0.162	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	120.8	165.6	174	70.6	0	0	0	106.2	W16 M28 I47 I49 Y73	W16-L60 HydrophobicContact CB-CD2 4.28Å; W16-L60 HydrophobicContact CD2-CB 3.62Å; W16-L60 HydrophobicContact CD2-CD2 3.97Å; W16-L60 HydrophobicContact CD2-CG 4.34Å; W16-L60 VanDerWaalsContact CE2-CB 3.46Å; W16-L60 HydrophobicContact CE3-CB 4.16Å; W16-L60 HydrophobicContact CE3-CD2 3.99Å; W16-L60 HydrophobicContact CG-CB 3.92Å; W16-L60 HydrophobicContact CG-CD1 4.32Å; W16-L60 HydrophobicContact CG-CD2 4.1Å; W16-L60 HydrophobicContact CG-CG 4.35Å; W16-L60 HydrophobicContact CH2-CB 4.42Å; W16-L60 HydrophobicContact CZ2-CB 3.91Å; M28-L60 HydrophobicContact CE-CD1 4.12Å; M28-L60 HydrophobicContact CE-CD2 3.69Å; M28-L60 HydrophobicContact CE-CG 4.46Å; M28-L60 HydrophobicContact SD-CD2 3.75Å; I47-L60 HydrophobicContact CB-CD1 4.03Å; I47-L60 HydrophobicContact CG2-CD1 4.31Å; I49-L60 HydrophobicContact CG1-CD1 3.97Å; L60-Y73 HydrophobicContact CD2-CD1 3.83Å; L60-Y73 HydrophobicContact CD2-CE1 4.18Å
61	Q	97.8	Very high	96.6	Very high	111 Å²	111	60.9 Å²	60.9	52%	0.519	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.9	166.3	179.7	175.2	1.3	0	0	107.7	I47 S48 N63	I47-Q61 CarbonylContact C-O 3.57Å; I47-Q61 VanDerWaalsContact CA-O 3.26Å; I47-Q61 WeakPolarHBondContact CA-O 3.12Å; S48-Q61 PolarHBondContact N-O 2.82Å; S48-Q61 PolarHBondContact O-N 3.06Å; Q61-N63 PolarHBondContact NE2-OD1 3.34Å; Q61-N63 VanDerWaalsContact NE2-OD1 3.11Å
62	L	96.2	Very high	96.6	Very high	31 Å²	31	58.9 Å²	58.9	16%	0.162	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.4	175.1	178.5	66.3	0	0	0	107.9	R46 I47 V65 D69 Y73	R46-L62 HydrophobicContact CB-CD1 4.3Å; I47-L62 HydrophobicContact CG2-CD1 3.55Å; L62-V65 HydrophobicContact CD2-CG2 4.21Å; L62-V65 HydrophobicContact CG-CG2 4.09Å; L62-D69 HydrophobicContact CD2-CB 4.03Å; L62-Y73 HydrophobicContact CD2-CE1 4.35Å; L62-Y73 WeakPolarHBondContact CD2-OH 3.37Å
63	N	95.2	Very high	96.6	Very high	69 Å²	69	57.9 Å²	57.9	37%	0.369	32%	0.318	S	S	.	.			trans	-102	155.4	-179.3	-61.2	-38.9	0	0	0	110.5	R46 Q61 V65	R46-N63 PolarHBondContact O-N 3.27Å; Q61-N63 PolarHBondContact NE2-OD1 3.34Å; Q61-N63 VanDerWaalsContact NE2-OD1 3.11Å; N63-V65 PolarHBondContact O-N 3.01Å
64	S	91.4	Very high	96.7	Very high	100 Å²	100	56.3 Å²	56.3	70%	0.699	30%	0.303	S	S	*	.	S	Bend	trans	51.8	56.9	179.1	-54	0	0	0	0	111.9	R46	R46-S64 PolarHBondContact NH1-O 2.93Å
65	V	94.4	Very high	96.7	Very high	66 Å²	66	52.3 Å²	52.3	40%	0.4	28%	0.275	S	S	.	.			trans	-70.1	131.2	-176.6	-172.7	0	0	0	0	109.9	L62 N63 D69 L97 V99	L62-V65 HydrophobicContact CD2-CG2 4.21Å; L62-V65 HydrophobicContact CG-CG2 4.09Å; N63-V65 PolarHBondContact O-N 3.01Å; V65-D69 WeakPolarHBondContact CA-OD2 3.36Å; V65-D69 HydrophobicContact CG1-CB 3.86Å; V65-L97 HydrophobicContact CG1-CD2 4.16Å; V65-V99 HydrophobicContact CG1-CB 4.47Å; V65-V99 HydrophobicContact CG1-CG1 4.27Å; V65-V99 HydrophobicContact CG1-CG2 3.46Å; V65-V99 VanDerWaalsContact CG1-CG2 3.46Å
66	T	95.3	Very high	96.7	Very high	59 Å²	59	46.6 Å²	46.6	36%	0.362	25%	0.251	S	S	.	.			trans	-121	174	176.8	69.7	0	0	0	0	111.4	E68 D69 V99	T66-E68 PolarHBondContact O-N 3.32Å; T66-E68 PolarHBondContact OG1-N 2.84Å; T66-D69 PolarHBondContact N-OD2 2.91Å; T66-D69 WeakPolarHBondContact O-CB 3.41Å; T66-D69 PolarHBondContact O-N 2.92Å; T66-V99 WeakPolarHBondContact O-CB 3.4Å; T66-V99 WeakPolarHBondContact O-CG1 3.39Å
67	T	96.3	Very high	96.5	Very high	81 Å²	81	46.4 Å²	46.4	50%	0.497	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-55.9	-30.1	174.5	51.2	0	0	0	0	112.6	D69 T70	T67-D69 PolarHBondContact O-N 2.94Å; T67-T70 VanDerWaalsContact O-CB 3.31Å; T67-T70 WeakPolarHBondContact O-CB 3.34Å; T67-T70 PolarHBondContact O-N 3Å; T67-T70 VanDerWaalsContact O-N 3.14Å; T67-T70 PolarHBondContact O-OG1 3.32Å
68	E	93.8	Very high	96.2	Very high	153 Å²	153	44.3 Å²	44.3	72%	0.715	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-66.2	-18.4	175.7	-58.9	179.2	173.1	0	0	113.4	F20 T66 T70	F20-E68 WeakPolarHBondContact CE1-O 3.19Å; T66-E68 PolarHBondContact O-N 3.32Å; T66-E68 PolarHBondContact OG1-N 2.84Å; E68-T70 PolarHBondContact O-N 2.78Å
69	D	96	Very high	95.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-85.2	3.1	176.1	-62.5	-51.3	0	0	0	112.7	R18 R46 L62 V65 T66 T67 A71 Y73	R18-D69 IonicContact CZ-OD1 2.68Å; R18-D69 IonicContact NH1-OD1 3.78Å; R18-D69 PolarHBondContact NH1-OD1 3.03Å; R18-D69 IonicContact NH2-OD1 3.73Å; R46-D69 IonicContact CZ-OD1 2.75Å; R46-D69 IonicContact CZ-OD2 3.86Å; R46-D69 IonicContact NH1-OD1 2.73Å; R46-D69 PolarHBondContact NH1-OD1 3.13Å; R46-D69 IonicContact NH1-OD2 3.57Å; R46-D69 PolarHBondContact NH1-OD2 3.08Å; R46-D69 IonicContact NH2-OD1 3.5Å; R46-D69 PolarHBondContact NH2-OD1 3.13Å; R46-D69 IonicContact NH2-OD2 3.19Å; L62-D69 HydrophobicContact CD2-CB 4.03Å; V65-D69 WeakPolarHBondContact CA-OD2 3.36Å; V65-D69 HydrophobicContact CG1-CB 3.86Å; T66-D69 PolarHBondContact N-OD2 2.91Å; T66-D69 WeakPolarHBondContact O-CB 3.41Å; T66-D69 PolarHBondContact O-N 2.92Å; T67-D69 PolarHBondContact O-N 2.94Å; D69-A71 PolarHBondContact O-N 2.71Å; D69-Y73 PolarHBondContact O-OH 2.82Å
70	T	97.6	Very high	95	Very high	33 Å²	33	43 Å²	43	20%	0.202	24%	0.237	C	C	.	.			trans	-64.1	108.3	173.2	-65.1	0	0	0	0	110.5	P21 T67 E68 L97 T98 V99	P21-T70 WeakPolarHBondContact CD-O 3.41Å; T67-T70 VanDerWaalsContact O-CB 3.31Å; T67-T70 WeakPolarHBondContact O-CB 3.34Å; T67-T70 PolarHBondContact O-N 3Å; T67-T70 VanDerWaalsContact O-N 3.14Å; T67-T70 PolarHBondContact O-OG1 3.32Å; E68-T70 PolarHBondContact O-N 2.78Å; T70-L97 WeakPolarHBondContact CA-O 3.23Å; T70-T98 HydrophobicContact CG2-CG2 4.35Å; T70-V99 PolarHBondContact OG1-N 2.98Å; T70-V99 PolarHBondContact OG1-O 3.1Å
71	A	98.1	Very high	94.1	Very high	3 Å²	3	49.1 Å²	49.1	3%	0.025	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	165.6	-175.8	0	0	0	0	0	111.1	R18 K19 F20 D69 Y73 L97	R18-A71 HydrophobicContact CB-CB 4Å; R18-A71 HydrophobicContact CG-CB 4.45Å; K19-A71 WeakPolarHBondContact O-CA 3.49Å; K19-A71 WeakPolarHBondContact O-CB 3.33Å; F20-A71 HydrophobicContact CD1-CB 4.07Å; F20-A71 HydrophobicContact CE1-CB 4.33Å; D69-A71 PolarHBondContact O-N 2.71Å; A71-Y73 HydrophobicContact CB-CD2 4.36Å; A71-Y73 HydrophobicContact CB-CE2 3.84Å; A71-Y73 WeakPolarHBondContact O-CD2 3.43Å; A71-Y73 WeakPolarHBondContact O-CE2 3.43Å; A71-L97 PolarHBondContact N-O 2.7Å; A71-L97 VanDerWaalsContact N-O 3.1Å; A71-L97 PolarHBondContact O-N 3.02Å
72	T	98.4	Very high	93.1	Very high	30 Å²	30	48.5 Å²	48.5	18%	0.184	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	123.2	163.9	-50.8	0	0	0	0	109.6	R18 K19 Y74 T95 T96	R18-T72 CarbonylContact C-O 3.53Å; R18-T72 WeakPolarHBondContact CA-O 3.31Å; K19-T72 PolarHBondContact N-O 2.75Å; K19-T72 PolarHBondContact O-N 2.85Å; T72-Y74 HydrophobicContact CG2-CD2 4.31Å; T72-Y74 HydrophobicContact CG2-CE1 4.18Å; T72-Y74 HydrophobicContact CG2-CE2 3.5Å; T72-Y74 VanDerWaalsContact CG2-CZ 3.44Å; T72-Y74 WeakPolarHBondContact CG2-OH 3.14Å; T72-Y74 WeakPolarHBondContact O-CD2 3.41Å; T72-Y74 WeakPolarHBondContact O-CE2 3.37Å; T72-T95 CarbonylContact C-O 3.47Å; T72-T95 WeakPolarHBondContact CA-O 3.23Å; T72-T96 PolarHBondContact OG1-OG1 3.44Å
73	Y	98.3	Very high	91.9	Very high	15 Å²	15	56.9 Å²	56.9	6%	0.059	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	123.9	-177.3	-70.2	-104.4	0	0	0	110	R18 M28 L60 L62 D69 A71 G94 T95 L97	R18-Y73 HydrophobicContact CB-CD1 3.9Å; R18-Y73 HydrophobicContact CB-CE1 3.92Å; R18-Y73 HydrophobicContact CB-CG 4.23Å; R18-Y73 PolarHBondContact NH1-OH 3.09Å; M28-Y73 HydrophobicContact CE-CD1 4.41Å; M28-Y73 HydrophobicContact CE-CE1 3.85Å; M28-Y73 HydrophobicContact SD-CD1 3.7Å; M28-Y73 HydrophobicContact SD-CE1 3.62Å; L60-Y73 HydrophobicContact CD2-CD1 3.83Å; L60-Y73 HydrophobicContact CD2-CE1 4.18Å; L62-Y73 HydrophobicContact CD2-CE1 4.35Å; L62-Y73 WeakPolarHBondContact CD2-OH 3.37Å; D69-Y73 PolarHBondContact O-OH 2.82Å; A71-Y73 HydrophobicContact CB-CD2 4.36Å; A71-Y73 HydrophobicContact CB-CE2 3.84Å; A71-Y73 WeakPolarHBondContact O-CD2 3.43Å; A71-Y73 WeakPolarHBondContact O-CE2 3.43Å; Y73-G94 CarbonylContact O-C 3.49Å; Y73-G94 WeakPolarHBondContact O-CA 3.28Å; Y73-T95 PolarHBondContact N-O 3.42Å; Y73-T95 PolarHBondContact O-N 3.28Å; Y73-L97 HydrophobicContact CD2-CB 3.99Å; Y73-L97 HydrophobicContact CE2-CB 3.75Å; Y73-L97 HydrophobicContact CE2-CD2 3.99Å; Y73-L97 HydrophobicContact CE2-CG 4.49Å
74	Y	98.2	Very high	90.8	Very high	45 Å²	45	57.6 Å²	57.6	18%	0.176	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	144.6	-179	-60.6	-93.8	0	0	0	110.1	W16 I17 K19 T72 W91 G92	W16-Y74 WeakPolarHBondContact CA-O 3.44Å; I17-Y74 PolarHBondContact N-O 3.09Å; I17-Y74 PolarHBondContact O-N 2.84Å; K19-Y74 HydrophobicContact CB-CD2 4.27Å; K19-Y74 HydrophobicContact CB-CE2 3.61Å; K19-Y74 HydrophobicContact CD-CE2 4.24Å; T72-Y74 HydrophobicContact CG2-CD2 4.31Å; T72-Y74 HydrophobicContact CG2-CE1 4.18Å; T72-Y74 HydrophobicContact CG2-CE2 3.5Å; T72-Y74 VanDerWaalsContact CG2-CZ 3.44Å; T72-Y74 WeakPolarHBondContact CG2-OH 3.14Å; T72-Y74 WeakPolarHBondContact O-CD2 3.41Å; T72-Y74 WeakPolarHBondContact O-CE2 3.37Å; Y74-W91 HydrophobicContact CD1-CE3 4.19Å; Y74-W91 AromaticContact CG-CE3 3.96Å; Y74-W91 HydrophobicContact CG-CE3 3.96Å; Y74-W91 HydrophobicContact CG-CZ3 4.12Å; Y74-G92 WeakPolarHBondContact CD1-O 3.27Å
75	C	97.1	Very high	89.5	Confident	19 Å²	19	54.1 Å²	54.1	13%	0.128	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	138.5	170.1	73.6	0	0	0	0	107.9	C2 N15 W16 Y58 G92	C2-C75 HydrophobicContact CB-CB 3.35Å; C2-C75 WeakPolarHBondContact CB-SG 3.34Å; C2-C75 WeakPolarHBondContact SG-CB 3.29Å; C2-C75 CovalentContact SG-SG 2.05Å; C2-C75 PolarHBondContact SG-SG 3.14Å; N15-C75 CarbonylContact O-C 3.55Å; N15-C75 WeakPolarHBondContact O-CA 3.26Å; W16-C75 HydrophobicContact CE3-CB 4.15Å; W16-C75 HydrophobicContact CH2-CB 3.91Å; W16-C75 HydrophobicContact CZ2-CB 4.28Å; W16-C75 HydrophobicContact CZ3-CB 3.85Å; Y58-C75 HydrophobicContact CE2-CB 4.09Å; Y58-C75 WeakPolarHBondContact OH-CB 3.41Å; C75-G92 PolarHBondContact O-N 3.04Å
76	A	96.1	Very high	88.3	Confident	2 Å²	2	58.2 Å²	58.2	2%	0.017	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	149.8	-173.5	0	0	0	0	0	112.5	N15 I17 Y58 F88 Y90 W91	N15-A76 HydrophobicContact CB-CB 4.35Å; N15-A76 WeakPolarHBondContact CB-O 3.05Å; N15-A76 PolarHBondContact N-O 3.33Å; N15-A76 PolarHBondContact ND2-O 3.43Å; N15-A76 VanDerWaalsContact ND2-O 3.12Å; N15-A76 PolarHBondContact O-N 3.04Å; I17-A76 HydrophobicContact CD1-CB 3.67Å; Y58-A76 PolarHBondContact OH-N 2.95Å; A76-F88 HydrophobicContact CB-CB 4.33Å; A76-F88 HydrophobicContact CB-CD1 3.95Å; A76-F88 HydrophobicContact CB-CG 4.18Å; A76-Y90 CarbonylContact C-O 3.58Å; A76-Y90 WeakPolarHBondContact CA-O 3.43Å; A76-Y90 WeakPolarHBondContact CB-O 3.45Å; A76-W91 HydrophobicContact CB-CD2 4.06Å; A76-W91 HydrophobicContact CB-CE3 4.34Å; A76-W91 HydrophobicContact CB-CG 4.33Å
77	R	94.4	Very high	87.6	Confident	29 Å²	29	62.1 Å²	62.1	11%	0.109	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	139.5	177.5	-177.9	179.2	169.1	-113.6	-14.2	109.9	Y7 D12 W14 F88 D89 Y90	Y7-R77 VanDerWaalsContact CE1-CZ 3.46Å; D12-R77 HydrophobicContact CB-CG 4.09Å; D12-R77 IonicContact OD1-NH2 2.8Å; D12-R77 IonicContact OD2-CZ 3.51Å; D12-R77 IonicContact OD2-NE 3.08Å; D12-R77 PolarHBondContact OD2-NE 2.91Å; D12-R77 IonicContact OD2-NH2 3.26Å; D12-R77 PolarHBondContact OD2-NH2 3.36Å; W14-R77 HydrophobicContact CE3-CB 4.1Å; W14-R77 HydrophobicContact CE3-CG 4.37Å; W14-R77 HydrophobicContact CH2-CB 4.18Å; W14-R77 HydrophobicContact CH2-CG 3.84Å; W14-R77 HydrophobicContact CZ2-CG 4.37Å; W14-R77 HydrophobicContact CZ3-CB 3.66Å; W14-R77 HydrophobicContact CZ3-CG 3.83Å; R77-F88 VanDerWaalsContact O-CA 3.28Å; R77-F88 WeakPolarHBondContact O-CA 3.4Å; R77-D89 IonicContact CZ-OD2 2.8Å; R77-D89 IonicContact NH1-OD1 2.78Å; R77-D89 IonicContact NH1-OD2 2.74Å; R77-D89 PolarHBondContact NH1-OD2 3.38Å; R77-D89 PolarHBondContact O-N 3.29Å; R77-D89 VanDerWaalsContact O-OD1 3.07Å; R77-Y90 PolarHBondContact N-O 2.78Å
78	S	92.5	Very high	87.2	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127	164.1	-40.3	0	0	0	0	109.9	Y13 N15 A80 P85 Y87 F88	Y13-S78 PolarHBondContact N-O 2.76Å; Y13-S78 PolarHBondContact O-N 3.26Å; N15-S78 PolarHBondContact ND2-OG 3.04Å; S78-A80 PolarHBondContact O-N 3.22Å; S78-P85 WeakPolarHBondContact CB-O 3.46Å; S78-P85 PolarHBondContact OG-O 3.28Å; S78-Y87 WeakPolarHBondContact CA-O 3.49Å; S78-Y87 WeakPolarHBondContact CB-O 3.19Å; S78-F88 WeakPolarHBondContact OG-CD1 3.32Å; S78-F88 VanDerWaalsContact OG-CE1 3.23Å; S78-F88 WeakPolarHBondContact OG-CE1 3.44Å
79	P	87.4	Confident	86.8	Confident	13 Å²	13	56 Å²	56	8%	0.084	26%	0.262	C	S	.	.			trans	-60.9	126.2	-179.1	-25.6	35	0	0	0	112.9	D12 L82 D89	D12-P79 VanDerWaalsContact OD1-CA 3.29Å; D12-P79 WeakPolarHBondContact OD1-CA 3.12Å; P79-L82 HydrophobicContact CB-CB 4.44Å; P79-L82 HydrophobicContact CB-CD1 4.05Å; P79-L82 HydrophobicContact CB-CG 4.09Å; P79-L82 HydrophobicContact CG-CD1 4.18Å; P79-D89 HydrophobicContact CG-CB 4.43Å; P79-D89 WeakPolarHBondContact CG-OD2 3.32Å
80	A	83.2	Confident	86.5	Confident	14 Å²	14	61.7 Å²	61.7	12%	0.116	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-70.6	-34.4	176.5	0	0	0	0	0	112.8	S11 D12 Y13 Y33 S78 L82 W83	S11-A80 WeakPolarHBondContact O-CB 3.35Å; D12-A80 PolarHBondContact OD1-N 2.89Å; Y13-A80 HydrophobicContact CD2-CB 3.99Å; Y13-A80 HydrophobicContact CE2-CB 3.73Å; Y33-A80 HydrophobicContact CD1-CB 3.87Å; Y33-A80 HydrophobicContact CE1-CB 3.98Å; S78-A80 PolarHBondContact O-N 3.22Å; A80-L82 PolarHBondContact O-N 2.85Å; A80-L82 VanDerWaalsContact O-N 3.13Å; A80-W83 PolarHBondContact O-N 2.99Å; A80-W83 VanDerWaalsContact O-N 3.08Å
81	L	78.2	Confident	86.4	Confident	158 Å²	158	65.3 Å²	65.3	83%	0.827	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-61.7	-21.9	-178.1	-64.7	173.6	0	0	0	114
82	L	77.4	Confident	86.3	Confident	99 Å²	99	66.4 Å²	66.4	52%	0.518	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-94.1	-5.8	-179.1	-60	-179.7	0	0	0	112.9	P79 A80 L84	P79-L82 HydrophobicContact CB-CB 4.44Å; P79-L82 HydrophobicContact CB-CD1 4.05Å; P79-L82 HydrophobicContact CB-CG 4.09Å; P79-L82 HydrophobicContact CG-CD1 4.18Å; A80-L82 PolarHBondContact O-N 2.85Å; A80-L82 VanDerWaalsContact O-N 3.13Å; L82-L84 HydrophobicContact CB-CB 4.33Å; L82-L84 HydrophobicContact CB-CD1 4.16Å; L82-L84 HydrophobicContact CB-CG 4.14Å; L82-L84 WeakPolarHBondContact O-CG 3.46Å; L82-L84 PolarHBondContact O-N 3.46Å; L82-L84 VanDerWaalsContact O-N 3.13Å
83	W	70.9	Confident	86.2	Confident	206 Å²	206	73.9 Å²	73.9	78%	0.78	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	25.5	-172.7	-56.7	88.5	0	0	0	113.7	A80 P85	A80-W83 PolarHBondContact O-N 2.99Å; A80-W83 VanDerWaalsContact O-N 3.08Å; W83-P85 VanDerWaalsContact C-CD 3.49Å; W83-P85 WeakPolarHBondContact O-CD 3.46Å
84	L	71.3	Confident	86.1	Confident	85 Å²	85	74.7 Å²	74.7	45%	0.445	35%	0.352	S	S	.	.			trans	-110.9	78	-178.4	-65.2	176.7	0	0	0	110.5	L82 Y86 Y87	L82-L84 HydrophobicContact CB-CB 4.33Å; L82-L84 HydrophobicContact CB-CD1 4.16Å; L82-L84 HydrophobicContact CB-CG 4.14Å; L82-L84 WeakPolarHBondContact O-CG 3.46Å; L82-L84 PolarHBondContact O-N 3.46Å; L82-L84 VanDerWaalsContact O-N 3.13Å; L84-Y86 PolarHBondContact O-N 3.1Å; L84-Y86 VanDerWaalsContact O-N 3.09Å; L84-Y87 HydrophobicContact CD1-CG 4.43Å; L84-Y87 PolarHBondContact O-N 3.41Å
85	P	63.8	Low	86	Confident	27 Å²	27	77 Å²	77	18%	0.175	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.1	-179.2	26.1	-33.7	0	0	0	112.9	Y30 S78 W83	Y30-P85 HydrophobicContact CE1-CB 4.37Å; S78-P85 WeakPolarHBondContact CB-O 3.46Å; S78-P85 PolarHBondContact OG-O 3.28Å; W83-P85 VanDerWaalsContact C-CD 3.49Å; W83-P85 WeakPolarHBondContact O-CD 3.46Å
86	Y	70.4	Confident	86.1	Confident	152 Å²	152	80.4 Å²	80.4	60%	0.596	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	2.3	-178.9	-52.8	-68	0	0	0	114.5	L84	L84-Y86 PolarHBondContact O-N 3.1Å; L84-Y86 VanDerWaalsContact O-N 3.09Å
87	Y	81.3	Confident	86.1	Confident	141 Å²	141	83.5 Å²	83.5	55%	0.553	41%	0.407	S	S	*	.			trans	-99.4	110.7	173.6	-174.1	-94.2	0	0	0	109.7	S78 L84 D89	S78-Y87 WeakPolarHBondContact CA-O 3.49Å; S78-Y87 WeakPolarHBondContact CB-O 3.19Å; L84-Y87 HydrophobicContact CD1-CG 4.43Å; L84-Y87 PolarHBondContact O-N 3.41Å; Y87-D89 HydrophobicContact CE1-CB 4.46Å
88	F	86.3	Confident	86.1	Confident	49 Å²	49	87.2 Å²	87.2	22%	0.215	43%	0.433	C	S	.	.			trans	-98.1	113.2	-176.9	-52.3	-59.8	0	0	0	110.6	N15 I17 Y27 A76 R77 S78 W91	N15-F88 HydrophobicContact CB-CD1 4.39Å; N15-F88 HydrophobicContact CB-CE1 3.76Å; N15-F88 HydrophobicContact CB-CZ 4.46Å; I17-F88 HydrophobicContact CD1-CE1 4.46Å; I17-F88 HydrophobicContact CD1-CE2 4.44Å; I17-F88 HydrophobicContact CD1-CZ 4.24Å; Y27-F88 HydrophobicContact CD2-CZ 4.15Å; Y27-F88 HydrophobicContact CE2-CZ 4.07Å; A76-F88 HydrophobicContact CB-CB 4.33Å; A76-F88 HydrophobicContact CB-CD1 3.95Å; A76-F88 HydrophobicContact CB-CG 4.18Å; R77-F88 VanDerWaalsContact O-CA 3.28Å; R77-F88 WeakPolarHBondContact O-CA 3.4Å; S78-F88 WeakPolarHBondContact OG-CD1 3.32Å; S78-F88 VanDerWaalsContact OG-CE1 3.23Å; S78-F88 WeakPolarHBondContact OG-CE1 3.44Å; F88-W91 HydrophobicContact CB-CZ2 4.15Å; F88-W91 VanDerWaalsContact CB-NE1 3.3Å; F88-W91 HydrophobicContact CD2-CH2 4.34Å; F88-W91 AromaticContact CD2-CZ2 3.49Å; F88-W91 HydrophobicContact CD2-CZ2 3.49Å; F88-W91 VanDerWaalsContact CD2-CZ2 3.49Å; F88-W91 HydrophobicContact CE2-CZ2 4.18Å; F88-W91 HydrophobicContact CG-CZ2 4.01Å
89	D	85.8	Confident	86.3	Confident	55 Å²	55	88.8 Å²	88.8	29%	0.294	44%	0.443	S	S	.	.	S	Bend	trans	-87.5	-27.8	177.9	61.8	-16.2	0	0	0	112.4	R77 P79 Y87	R77-D89 IonicContact CZ-OD2 2.8Å; R77-D89 IonicContact NH1-OD1 2.78Å; R77-D89 IonicContact NH1-OD2 2.74Å; R77-D89 PolarHBondContact NH1-OD2 3.38Å; R77-D89 PolarHBondContact O-N 3.29Å; R77-D89 VanDerWaalsContact O-OD1 3.07Å; P79-D89 HydrophobicContact CG-CB 4.43Å; P79-D89 WeakPolarHBondContact CG-OD2 3.32Å; Y87-D89 HydrophobicContact CE1-CB 4.46Å
90	Y	90.2	Very high	86.5	Confident	121 Å²	121	93.2 Å²	93.2	48%	0.475	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	139.7	177.2	-63.1	-80.4	0	0	0	113	Y7 A76 R77	Y7-Y90 HydrophobicContact CE2-CD2 4.23Å; Y7-Y90 AromaticContact CE2-CE2 3.95Å; Y7-Y90 HydrophobicContact CE2-CE2 3.95Å; Y7-Y90 AromaticContact CZ-CE2 3.8Å; Y7-Y90 VanDerWaalsContact OH-CE2 3.3Å; Y7-Y90 WeakPolarHBondContact OH-CE2 3.48Å; Y7-Y90 PolarHBondContact OH-OH 2.58Å; A76-Y90 CarbonylContact C-O 3.58Å; A76-Y90 WeakPolarHBondContact CA-O 3.43Å; A76-Y90 WeakPolarHBondContact CB-O 3.45Å; R77-Y90 PolarHBondContact N-O 2.78Å
91	W	95.1	Very high	86.6	Confident	108 Å²	108	100.9 Å²	100.9	41%	0.409	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.9	174.6	-69.7	70.9	0	0	0	110.2	I17 Y74 A76 F88	I17-W91 HydrophobicContact CB-CH2 3.94Å; I17-W91 HydrophobicContact CB-CZ3 3.81Å; I17-W91 HydrophobicContact CD1-CH2 3.78Å; I17-W91 HydrophobicContact CD1-CZ2 4.42Å; I17-W91 HydrophobicContact CD1-CZ3 3.88Å; I17-W91 HydrophobicContact CG1-CH2 3.75Å; I17-W91 HydrophobicContact CG1-CZ3 4.01Å; I17-W91 HydrophobicContact CG2-CH2 3.95Å; I17-W91 HydrophobicContact CG2-CZ3 4.04Å; Y74-W91 HydrophobicContact CD1-CE3 4.19Å; Y74-W91 AromaticContact CG-CE3 3.96Å; Y74-W91 HydrophobicContact CG-CE3 3.96Å; Y74-W91 HydrophobicContact CG-CZ3 4.12Å; A76-W91 HydrophobicContact CB-CD2 4.06Å; A76-W91 HydrophobicContact CB-CE3 4.34Å; A76-W91 HydrophobicContact CB-CG 4.33Å; F88-W91 HydrophobicContact CB-CZ2 4.15Å; F88-W91 VanDerWaalsContact CB-NE1 3.3Å; F88-W91 HydrophobicContact CD2-CH2 4.34Å; F88-W91 AromaticContact CD2-CZ2 3.49Å; F88-W91 HydrophobicContact CD2-CZ2 3.49Å; F88-W91 VanDerWaalsContact CD2-CZ2 3.49Å; F88-W91 HydrophobicContact CE2-CZ2 4.18Å; F88-W91 HydrophobicContact CG-CZ2 4.01Å
92	G	95.6	Very high	87	Confident	26 Å²	26	98.1 Å²	98.1	27%	0.268	51%	0.512	S	S	.	.			trans	-69.4	165.4	166.3	0	0	0	0	0	111.4	Y74 C75 G94	Y74-G92 WeakPolarHBondContact CD1-O 3.27Å; C75-G92 PolarHBondContact O-N 3.04Å; G92-G94 PolarHBondContact O-N 2.86Å; G92-G94 VanDerWaalsContact O-N 3.07Å
93	Q	95.8	Very high	87.5	Confident	187 Å²	187	98 Å²	98	87%	0.874	51%	0.512	S	S	*	.			trans	-62.8	-16.7	-179.7	-64.8	-61.5	-39.1	0	0	113.8
94	G	96.6	Very high	88.5	Confident	32 Å²	32	92 Å²	92	33%	0.33	50%	0.497	S	S	.	.			trans	83	157.2	-175.7	0	0	0	0	0	112.5	Y73 G92	Y73-G94 CarbonylContact O-C 3.49Å; Y73-G94 WeakPolarHBondContact O-CA 3.28Å; G92-G94 PolarHBondContact O-N 2.86Å; G92-G94 VanDerWaalsContact O-N 3.07Å
95	T	97.6	Very high	89.5	Confident	93 Å²	93	92.4 Å²	92.4	57%	0.571	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.3	173.1	-172.6	0	0	0	0	109.9	T72 Y73	T72-T95 CarbonylContact C-O 3.47Å; T72-T95 WeakPolarHBondContact CA-O 3.23Å; Y73-T95 PolarHBondContact N-O 3.42Å; Y73-T95 PolarHBondContact O-N 3.28Å
96	T	97.6	Very high	91.1	Very high	92 Å²	92	96.5 Å²	96.5	56%	0.564	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	121.4	-178.5	-61.9	0	0	0	0	110.1	T72	T72-T96 PolarHBondContact OG1-OG1 3.44Å
97	L	95.9	Very high	92.4	Very high	67 Å²	67	92.8 Å²	92.8	35%	0.351	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.4	168.1	178.9	65	0	0	0	107.8	V65 T70 A71 Y73 V99	V65-L97 HydrophobicContact CG1-CD2 4.16Å; T70-L97 WeakPolarHBondContact CA-O 3.23Å; A71-L97 PolarHBondContact N-O 2.7Å; A71-L97 VanDerWaalsContact N-O 3.1Å; A71-L97 PolarHBondContact O-N 3.02Å; Y73-L97 HydrophobicContact CD2-CB 3.99Å; Y73-L97 HydrophobicContact CE2-CB 3.75Å; Y73-L97 HydrophobicContact CE2-CD2 3.99Å; Y73-L97 HydrophobicContact CE2-CG 4.49Å; L97-V99 HydrophobicContact CD1-CG2 4.44Å; L97-V99 HydrophobicContact CD2-CG2 4.27Å; L97-V99 HydrophobicContact CG-CG2 3.99Å
98	T	96.5	Very high	93.2	Very high	107 Å²	107	89.4 Å²	89.4	66%	0.656	51%	0.512	S	S	*	.			trans	-114.7	130.6	172.3	-56.2	0	0	0	0	108.7	T70	T70-T98 HydrophobicContact CG2-CG2 4.35Å
99	V	95.1	Very high	93.8	Very high	33 Å²	33	92.5 Å²	92.5	20%	0.2	54%	0.535	C	S	.	.			trans	-124.9	121.4	-178	-173.2	0	0	0	0	107.3	V65 T66 T70 L97	V65-V99 HydrophobicContact CG1-CB 4.47Å; V65-V99 HydrophobicContact CG1-CG1 4.27Å; V65-V99 HydrophobicContact CG1-CG2 3.46Å; V65-V99 VanDerWaalsContact CG1-CG2 3.46Å; T66-V99 WeakPolarHBondContact O-CB 3.4Å; T66-V99 WeakPolarHBondContact O-CG1 3.39Å; T70-V99 PolarHBondContact OG1-N 2.98Å; T70-V99 PolarHBondContact OG1-O 3.1Å; L97-V99 HydrophobicContact CD1-CG2 4.44Å; L97-V99 HydrophobicContact CD2-CG2 4.27Å; L97-V99 HydrophobicContact CG-CG2 3.99Å
100	S	92.3	Very high	94.4	Very high	105 Å²	105	95.6 Å²	95.6	73%	0.734	56%	0.555	S	S	*	*			trans	-116.7	151.9	176.7	56.8	0	0	0	0	110.1
101	S	85.3	Confident	94.8	Very high	176 Å²	176	93.3 Å²	93.3	100%	1.231	56%	0.563	S	S	*	*			trans	-74.4	0	172.2	57.9	0	0	0	0	112.6

Retrieved 101 of 101 residues in 26.1 ms (Link to these results)

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