X5J5B9_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5B9, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 101 aa.

						>X5J5B9_MOUSE|X5J5B9
TCSVTGYSITSDYWNWTRKFPGNKLEYMGYISYSGSTYYNPSLKSRISITRDTSKNQYYLQLNSVTTEDTATYYCARSEGGYYGIYYFDCWGQGTTLTVSS
					

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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	93.7	Very high	109 Å²	109	64.3 Å²	64.3	67%	0.669	42%	0.417	S	S	*	.				0	144.1	0	-54.7	0	0	0	0	109.8	Q57 Y58 Y59	T1-Q57 HydrophobicContact CG2-CG 4.34Å; T1-Y58 CarbonylContact C-O 3.49Å; T1-Y59 HydrophobicContact CG2-CD1 3.64Å; T1-Y59 HydrophobicContact CG2-CE1 3.4Å; T1-Y59 WeakPolarHBondContact OG1-CD1 2.86Å
2	C	97.1	Very high	93.4	Very high	13 Å²	13	59.8 Å²	59.8	9%	0.088	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	120.9	168.5	-176.9	0	0	0	0	108.9	W16 Q57 Y58 C75	C2-W16 HydrophobicContact CB-CH2 3.87Å; C2-W16 HydrophobicContact CB-CZ2 3.83Å; C2-Q57 WeakPolarHBondContact O-CA 3.35Å; C2-Y58 HydrophobicContact CB-CD1 3.96Å; C2-Y58 HydrophobicContact CB-CD2 4.47Å; C2-Y58 HydrophobicContact CB-CE1 3.51Å; C2-Y58 HydrophobicContact CB-CE2 4.07Å; C2-Y58 HydrophobicContact CB-CG 4.43Å; C2-Y58 PolarHBondContact N-O 2.9Å; C2-Y58 PolarHBondContact O-N 2.81Å; C2-Y58 WeakPolarHBondContact SG-CE1 3.43Å; C2-Y58 VanDerWaalsContact SG-CZ 3.51Å; C2-Y58 PolarHBondContact SG-OH 3.05Å; C2-Y58 VanDerWaalsContact SG-OH 3.42Å; C2-C75 HydrophobicContact CB-CB 3.37Å; C2-C75 WeakPolarHBondContact CB-SG 3.4Å; C2-C75 WeakPolarHBondContact SG-CB 3.21Å; C2-C75 CovalentContact SG-SG 2.04Å; C2-C75 PolarHBondContact SG-SG 3.48Å
3	S	97	Very high	93.3	Very high	73 Å²	73	58.9 Å²	58.9	51%	0.51	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	127.4	174.6	-61.1	0	0	0	0	109.3	Q57	S3-Q57 PolarHBondContact OG-NE2 3.23Å
4	V	95.1	Very high	93.4	Very high	17 Å²	17	55.4 Å²	55.4	10%	0.103	35%	0.348	C	S	.	.			trans	-98	134.6	-179.6	179.6	0	0	0	0	109.7	Y7 I9 W14 N56 Y58	V4-Y7 WeakPolarHBondContact CG1-O 3.43Å; V4-I9 HydrophobicContact CB-CG2 3.92Å; V4-I9 HydrophobicContact CG2-CG2 3.59Å; V4-W14 HydrophobicContact CB-CH2 4.28Å; V4-W14 HydrophobicContact CB-CZ3 4.35Å; V4-W14 HydrophobicContact CG1-CH2 3.46Å; V4-W14 VanDerWaalsContact CG1-CH2 3.46Å; V4-W14 HydrophobicContact CG1-CZ2 4.25Å; V4-W14 HydrophobicContact CG1-CZ3 3.86Å; V4-W14 HydrophobicContact CG2-CD2 4.49Å; V4-W14 HydrophobicContact CG2-CE3 3.87Å; V4-W14 HydrophobicContact CG2-CH2 3.85Å; V4-W14 HydrophobicContact CG2-CZ2 4.49Å; V4-W14 HydrophobicContact CG2-CZ3 3.5Å; V4-W14 VanDerWaalsContact CG2-CZ3 3.5Å; V4-N56 PolarHBondContact N-O 3.35Å; V4-N56 PolarHBondContact O-ND2 3.46Å; V4-Y58 HydrophobicContact CG2-CD1 4.1Å; V4-Y58 HydrophobicContact CG2-CE1 3.74Å
5	T	93.3	Very high	93.6	Very high	124 Å²	124	52.1 Å²	52.1	76%	0.761	33%	0.327	S	S	*	.			trans	-125.7	145.1	173.7	52	0	0	0	0	108.9	Y7	T5-Y7 PolarHBondContact O-N 3.09Å
6	G	91.3	Very high	93.8	Very high	81 Å²	81	49.5 Å²	49.5	84%	0.835	31%	0.309	S	S	*	.	S	Bend	trans	77.6	-10.9	-178.3	0	0	0	0	0	116
7	Y	90.1	Very high	94	Very high	111 Å²	111	47.1 Å²	47.1	44%	0.435	29%	0.294	S	S	.	.	S	Bend	trans	-137.4	161	178.1	-62.9	-80	0	0	0	111.2	V4 T5 N56	V4-Y7 WeakPolarHBondContact CG1-O 3.43Å; T5-Y7 PolarHBondContact O-N 3.09Å; Y7-N56 PolarHBondContact O-ND2 2.96Å
8	S	92.8	Very high	94.1	Very high	51 Å²	51	45.1 Å²	45.1	36%	0.357	28%	0.28	S	S	.	.			trans	-97.8	134.7	172.7	-179.8	0	0	0	0	111	T10 S11 W14 N56	S8-T10 PolarHBondContact O-N 3.37Å; S8-T10 PolarHBondContact OG-N 2.84Å; S8-T10 PolarHBondContact OG-OG1 3.12Å; S8-S11 PolarHBondContact O-N 3.01Å; S8-S11 VanDerWaalsContact O-N 3.14Å; S8-S11 PolarHBondContact O-OG 3.03Å; S8-W14 WeakPolarHBondContact O-CZ2 3.35Å; S8-N56 WeakPolarHBondContact CA-OD1 3.36Å
9	I	93.8	Very high	94.3	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-6.2	174.8	66.4	170.4	0	0	0	114.1	V4 W14 R51 D52 T53 N56 Q57 Y58	V4-I9 HydrophobicContact CB-CG2 3.92Å; V4-I9 HydrophobicContact CG2-CG2 3.59Å; I9-W14 HydrophobicContact CB-CZ2 4.48Å; I9-W14 HydrophobicContact CG2-CD2 4.35Å; I9-W14 HydrophobicContact CG2-CZ2 4.27Å; I9-W14 PolarHBondContact O-NE1 3.44Å; I9-R51 HydrophobicContact CD1-CB 3.94Å; I9-D52 WeakPolarHBondContact CD1-O 3.47Å; I9-T53 HydrophobicContact CD1-CG2 4.14Å; I9-T53 HydrophobicContact CG1-CG2 4.29Å; I9-N56 WeakPolarHBondContact CG2-OD1 3.46Å; I9-N56 PolarHBondContact N-OD1 2.91Å; I9-Q57 WeakPolarHBondContact CD1-O 3.41Å; I9-Y58 HydrophobicContact CG2-CD1 4.32Å
10	T	93.6	Very high	94.5	Very high	69 Å²	69	45.8 Å²	45.8	42%	0.423	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	12.3	177.7	68.2	0	0	0	0	113.6	S8 Y33 T53	S8-T10 PolarHBondContact O-N 3.37Å; S8-T10 PolarHBondContact OG-N 2.84Å; S8-T10 PolarHBondContact OG-OG1 3.12Å; T10-Y33 WeakPolarHBondContact O-CB 3.35Å; T10-T53 HydrophobicContact CG2-CG2 3.48Å; T10-T53 VanDerWaalsContact CG2-CG2 3.48Å
11	S	89.5	Confident	94.4	Very high	58 Å²	58	48.6 Å²	48.6	41%	0.406	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-28.3	173.5	57.7	0	0	0	0	113.8	S8	S8-S11 PolarHBondContact O-N 3.01Å; S8-S11 VanDerWaalsContact O-N 3.14Å; S8-S11 PolarHBondContact O-OG 3.03Å
12	D	90.4	Very high	94.3	Very high	11 Å²	11	46.9 Å²	46.9	6%	0.059	30%	0.298	C	S	.	.	S	Bend	trans	-134.9	-172.7	-164.2	-68.6	-59.3	0	0	0	113.2	W14 S32 Y33 R77	D12-W14 HydrophobicContact CB-CZ2 4.11Å; D12-W14 PolarHBondContact O-NE1 2.88Å; D12-S32 CarbonylContact O-C 3.6Å; D12-Y33 WeakPolarHBondContact O-CA 3.31Å; D12-Y33 PolarHBondContact O-N 3.28Å; D12-R77 HydrophobicContact CB-CG 3.92Å; D12-R77 IonicContact OD2-CZ 3.52Å; D12-R77 IonicContact OD2-NH1 3.32Å; D12-R77 PolarHBondContact OD2-NH1 3.39Å
13	Y	92.4	Very high	94	Very high	48 Å²	48	51.8 Å²	51.8	19%	0.188	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	138.3	173.6	-65.9	-114.2	0	0	0	109.6	N15 Y30 Y33 S78 I85	Y13-N15 PolarHBondContact O-ND2 2.9Å; Y13-Y30 AromaticContact CD1-CD2 3.75Å; Y13-Y30 HydrophobicContact CD1-CD2 3.75Å; Y13-Y30 HydrophobicContact CD1-CE1 4.5Å; Y13-Y30 AromaticContact CD1-CE2 3.66Å; Y13-Y30 HydrophobicContact CD1-CE2 3.66Å; Y13-Y30 HydrophobicContact CD1-CG 4.26Å; Y13-Y30 HydrophobicContact CE1-CD2 4.41Å; Y13-Y30 AromaticContact CE1-CE2 3.87Å; Y13-Y30 HydrophobicContact CE1-CE2 3.87Å; Y13-Y33 HydrophobicContact CD2-CD1 4.43Å; Y13-Y33 AromaticContact CE2-CD1 3.84Å; Y13-Y33 HydrophobicContact CE2-CD1 3.84Å; Y13-Y33 AromaticContact CE2-CE1 3.92Å; Y13-Y33 HydrophobicContact CE2-CE1 3.92Å; Y13-S78 WeakPolarHBondContact CB-OG 3.41Å; Y13-S78 PolarHBondContact N-O 3.05Å; Y13-S78 VanDerWaalsContact N-O 3.12Å; Y13-S78 PolarHBondContact O-N 2.58Å; Y13-I85 HydrophobicContact CD1-CD1 3.85Å; Y13-I85 HydrophobicContact CD2-CD1 3.08Å; Y13-I85 HydrophobicContact CE1-CD1 3.84Å; Y13-I85 HydrophobicContact CE2-CD1 3.11Å; Y13-I85 HydrophobicContact CE2-CG1 4.43Å; Y13-I85 HydrophobicContact CG-CD1 3.48Å; Y13-I85 VanDerWaalsContact CG-CD1 3.48Å; Y13-I85 VanDerWaalsContact CZ-CD1 3.47Å
14	W	94.6	Very high	93.9	Very high	9 Å²	9	55.1 Å²	55.1	3%	0.034	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	119	-172.2	-58.4	94.9	0	0	0	109.8	V4 S8 I9 D12 Y30 I31 Y58 R77	V4-W14 HydrophobicContact CB-CH2 4.28Å; V4-W14 HydrophobicContact CB-CZ3 4.35Å; V4-W14 HydrophobicContact CG1-CH2 3.46Å; V4-W14 VanDerWaalsContact CG1-CH2 3.46Å; V4-W14 HydrophobicContact CG1-CZ2 4.25Å; V4-W14 HydrophobicContact CG1-CZ3 3.86Å; V4-W14 HydrophobicContact CG2-CD2 4.49Å; V4-W14 HydrophobicContact CG2-CE3 3.87Å; V4-W14 HydrophobicContact CG2-CH2 3.85Å; V4-W14 HydrophobicContact CG2-CZ2 4.49Å; V4-W14 HydrophobicContact CG2-CZ3 3.5Å; V4-W14 VanDerWaalsContact CG2-CZ3 3.5Å; S8-W14 WeakPolarHBondContact O-CZ2 3.35Å; I9-W14 HydrophobicContact CB-CZ2 4.48Å; I9-W14 HydrophobicContact CG2-CD2 4.35Å; I9-W14 HydrophobicContact CG2-CZ2 4.27Å; I9-W14 PolarHBondContact O-NE1 3.44Å; D12-W14 HydrophobicContact CB-CZ2 4.11Å; D12-W14 PolarHBondContact O-NE1 2.88Å; W14-Y30 CarbonylContact O-C 3.53Å; W14-Y30 WeakPolarHBondContact O-CA 3.32Å; W14-Y30 WeakPolarHBondContact O-CB 3.5Å; W14-I31 HydrophobicContact CB-CG2 4.05Å; W14-I31 PolarHBondContact N-O 3.12Å; W14-I31 PolarHBondContact O-N 2.86Å; W14-Y58 HydrophobicContact CB-CD1 4.05Å; W14-Y58 HydrophobicContact CB-CD2 3.86Å; W14-Y58 HydrophobicContact CB-CE1 3.91Å; W14-Y58 HydrophobicContact CB-CE2 3.72Å; W14-Y58 HydrophobicContact CB-CG 4.02Å; W14-Y58 HydrophobicContact CD2-CD1 4.42Å; W14-Y58 HydrophobicContact CD2-CE1 4.03Å; W14-Y58 HydrophobicContact CE3-CD1 4.41Å; W14-Y58 AromaticContact CE3-CE1 3.62Å; W14-Y58 HydrophobicContact CE3-CE1 3.62Å; W14-Y58 AromaticContact CE3-CZ 3.99Å; W14-Y58 HydrophobicContact CG-CD1 4.26Å; W14-Y58 HydrophobicContact CG-CE1 4.16Å; W14-Y58 HydrophobicContact CZ3-CE1 4.49Å; W14-R77 HydrophobicContact CE3-CB 4.02Å; W14-R77 HydrophobicContact CE3-CG 4.13Å; W14-R77 HydrophobicContact CH2-CB 4.03Å; W14-R77 VanDerWaalsContact CH2-CD 3.49Å; W14-R77 HydrophobicContact CH2-CG 3.57Å; W14-R77 HydrophobicContact CZ2-CG 4.04Å; W14-R77 HydrophobicContact CZ3-CB 3.56Å; W14-R77 HydrophobicContact CZ3-CG 3.61Å
15	N	95.6	Very high	93.9	Very high	6 Å²	6	59.3 Å²	59.3	3%	0.032	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	150.3	-159.9	-61	-94.9	0	0	0	110.6	Y13 Y27 G29 Y30 C75 A76 S78 F88	Y13-N15 PolarHBondContact O-ND2 2.9Å; N15-Y27 HydrophobicContact CB-CE2 4.15Å; N15-Y27 PolarHBondContact OD1-OH 3.03Å; N15-G29 WeakPolarHBondContact CA-O 3.41Å; N15-Y30 VanDerWaalsContact OD1-CB 3.3Å; N15-Y30 WeakPolarHBondContact OD1-CB 3.35Å; N15-C75 CarbonylContact O-C 3.48Å; N15-C75 VanDerWaalsContact O-CA 3.3Å; N15-C75 WeakPolarHBondContact O-CA 3.46Å; N15-A76 HydrophobicContact CB-CB 4.4Å; N15-A76 WeakPolarHBondContact CB-O 3.31Å; N15-A76 PolarHBondContact N-O 3.4Å; N15-A76 PolarHBondContact ND2-O 3.28Å; N15-A76 PolarHBondContact O-N 3.45Å; N15-S78 PolarHBondContact ND2-OG 2.88Å; N15-F88 HydrophobicContact CB-CD1 4.3Å; N15-F88 HydrophobicContact CB-CE1 3.56Å; N15-F88 HydrophobicContact CB-CZ 4.33Å
16	W	97.4	Very high	94.1	Very high	11 Å²	11	55.4 Å²	55.4	4%	0.042	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.6	170.3	-73.4	99.1	0	0	0	110.3	C2 M28 G29 Y58 L60 Y74 C75	C2-W16 HydrophobicContact CB-CH2 3.87Å; C2-W16 HydrophobicContact CB-CZ2 3.83Å; W16-M28 HydrophobicContact CB-CB 4.05Å; W16-M28 HydrophobicContact CB-SD 4.45Å; W16-M28 WeakPolarHBondContact O-CB 3.49Å; W16-M28 PolarHBondContact O-N 2.76Å; W16-G29 PolarHBondContact N-O 3.06Å; W16-G29 PolarHBondContact O-N 2.79Å; W16-Y58 AromaticContact CD1-CE2 4Å; W16-Y58 HydrophobicContact CD2-CE2 4.44Å; W16-Y58 AromaticContact CE2-CD2 3.86Å; W16-Y58 AromaticContact CE2-CE2 3.66Å; W16-Y58 HydrophobicContact CZ2-CD2 4.1Å; W16-Y58 AromaticContact CZ2-CE2 3.98Å; W16-Y58 HydrophobicContact CZ2-CE2 3.98Å; W16-Y58 AromaticContact NE1-CD2 3.29Å; W16-Y58 VanDerWaalsContact NE1-CD2 3.29Å; W16-Y58 AromaticContact NE1-CE2 3.38Å; W16-L60 HydrophobicContact CB-CD2 4.3Å; W16-L60 HydrophobicContact CD2-CB 3.65Å; W16-L60 HydrophobicContact CD2-CD2 3.97Å; W16-L60 HydrophobicContact CD2-CG 4.36Å; W16-L60 VanDerWaalsContact CE2-CB 3.49Å; W16-L60 HydrophobicContact CE3-CB 4.19Å; W16-L60 HydrophobicContact CE3-CD2 3.98Å; W16-L60 HydrophobicContact CG-CB 3.95Å; W16-L60 HydrophobicContact CG-CD1 4.36Å; W16-L60 HydrophobicContact CG-CD2 4.11Å; W16-L60 HydrophobicContact CG-CG 4.38Å; W16-L60 HydrophobicContact CH2-CB 4.45Å; W16-L60 HydrophobicContact CZ2-CB 3.93Å; W16-Y74 WeakPolarHBondContact CA-O 3.42Å; W16-C75 HydrophobicContact CD2-CB 4.37Å; W16-C75 HydrophobicContact CE3-CB 4.06Å; W16-C75 HydrophobicContact CH2-CB 3.81Å; W16-C75 HydrophobicContact CZ2-CB 4.14Å; W16-C75 HydrophobicContact CZ3-CB 3.78Å
17	T	96.6	Very high	94.3	Very high	8 Å²	8	54.8 Å²	54.8	5%	0.049	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	139.4	176	-60.1	0	0	0	0	107.9	L25 E26 Y74 W91	T17-L25 HydrophobicContact CG2-CB 4.48Å; T17-L25 HydrophobicContact CG2-CD2 4.09Å; T17-E26 WeakPolarHBondContact CA-O 3.2Å; T17-E26 WeakPolarHBondContact CG2-O 3.31Å; T17-Y74 PolarHBondContact N-O 3Å; T17-Y74 PolarHBondContact O-N 3.32Å; T17-W91 HydrophobicContact CG2-CH2 4.22Å; T17-W91 HydrophobicContact CG2-CZ3 4.3Å
18	R	97.3	Very high	94.6	Very high	11 Å²	11	49.5 Å²	49.5	4%	0.042	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	147.2	173.1	65.6	-179.3	177	171.7	2.5	111.7	F20 L25 E26 M28 D69 A71 T72 Y73	R18-F20 HydrophobicContact CG-CE2 4.33Å; R18-F20 HydrophobicContact CG-CZ 4.23Å; R18-L25 CarbonylContact O-C 3.51Å; R18-L25 WeakPolarHBondContact O-CA 3.38Å; R18-E26 HydrophobicContact CG-CB 4.13Å; R18-E26 IonicContact CZ-OE2 3.7Å; R18-E26 PolarHBondContact N-O 2.77Å; R18-E26 IonicContact NE-OE2 2.72Å; R18-E26 PolarHBondContact NE-OE2 3.19Å; R18-E26 IonicContact NH2-OE2 3.8Å; R18-E26 PolarHBondContact NH2-OE2 3.44Å; R18-E26 PolarHBondContact O-N 2.93Å; R18-M28 HydrophobicContact CB-SD 4.06Å; R18-M28 HydrophobicContact CG-CG 4.23Å; R18-M28 HydrophobicContact CG-SD 4.03Å; R18-D69 IonicContact CZ-OD1 2.67Å; R18-D69 IonicContact NH1-OD1 3.71Å; R18-D69 PolarHBondContact NH1-OD1 2.84Å; R18-D69 IonicContact NH2-OD1 2.69Å; R18-A71 HydrophobicContact CB-CB 4.01Å; R18-A71 HydrophobicContact CG-CB 4.41Å; R18-T72 CarbonylContact C-O 3.55Å; R18-T72 VanDerWaalsContact CA-O 3.3Å; R18-T72 WeakPolarHBondContact CA-O 3.14Å; R18-Y73 HydrophobicContact CB-CD1 3.9Å; R18-Y73 HydrophobicContact CB-CE1 3.97Å; R18-Y73 HydrophobicContact CB-CG 4.2Å; R18-Y73 HydrophobicContact CG-CE1 4.48Å; R18-Y73 PolarHBondContact NH1-OH 2.9Å
19	K	97.8	Very high	94.8	Very high	66 Å²	66	47.1 Å²	47.1	29%	0.287	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	116.4	178.2	-169.2	-179.3	174.2	-173	0	109.3	N23 K24 L25 A71 T72 Y74	K19-N23 WeakPolarHBondContact CE-OD1 3.32Å; K19-N23 PolarHBondContact NZ-OD1 2.87Å; K19-K24 CarbonylContact C-O 3.57Å; K19-K24 WeakPolarHBondContact CA-O 3.38Å; K19-L25 HydrophobicContact CB-CD2 3.64Å; K19-L25 HydrophobicContact CD-CD2 4.18Å; K19-L25 HydrophobicContact CG-CD2 3.74Å; K19-A71 WeakPolarHBondContact O-CA 3.07Å; K19-A71 WeakPolarHBondContact O-CB 3.38Å; K19-T72 PolarHBondContact N-O 3.43Å; K19-T72 PolarHBondContact O-N 3.08Å; K19-Y74 HydrophobicContact CB-CD2 4.32Å; K19-Y74 HydrophobicContact CB-CE2 3.65Å; K19-Y74 HydrophobicContact CD-CE2 4.35Å
20	F	97.5	Very high	94.8	Very high	39 Å²	39	50.3 Å²	50.3	17%	0.171	27%	0.271	C	S	.	.			trans	-77	159.8	177.9	-63	-78.9	0	0	0	111.7	R18 G22 N23 K24 E26 E68 A71	R18-F20 HydrophobicContact CG-CE2 4.33Å; R18-F20 HydrophobicContact CG-CZ 4.23Å; F20-G22 PolarHBondContact O-N 2.95Å; F20-N23 PolarHBondContact O-N 2.92Å; F20-K24 HydrophobicContact CB-CB 4.42Å; F20-K24 HydrophobicContact CD2-CB 4.24Å; F20-K24 HydrophobicContact CD2-CD 4.37Å; F20-K24 HydrophobicContact CD2-CG 4.28Å; F20-K24 WeakPolarHBondContact CD2-O 3.38Å; F20-K24 PolarHBondContact N-O 2.72Å; F20-E26 HydrophobicContact CE2-CB 3.78Å; F20-E68 WeakPolarHBondContact CE1-O 3.3Å; F20-A71 HydrophobicContact CD1-CB 3.97Å; F20-A71 HydrophobicContact CE1-CB 4.24Å
21	P	93.4	Very high	95	Very high	105 Å²	105	47.3 Å²	47.3	68%	0.682	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	132.3	159.4	-24.2	34.3	0	0	0	109.9	T70	P21-T70 WeakPolarHBondContact CD-O 3.47Å
22	G	93.7	Very high	95.2	Very high	73 Å²	73	44.7 Å²	44.7	75%	0.753	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.5	11.2	-171.8	0	0	0	0	0	115.2	F20 K24	F20-G22 PolarHBondContact O-N 2.95Å; G22-K24 VanDerWaalsContact C-N 3.27Å; G22-K24 PolarHBondContact O-N 3.19Å
23	N	90.9	Very high	95.2	Very high	116 Å²	116	49.7 Å²	49.7	62%	0.62	25%	0.253	S	S	*	.	S	Bend	trans	67.8	11.6	171.1	-58.2	-58.1	0	0	0	116.7	K19 F20 L25	K19-N23 WeakPolarHBondContact CE-OD1 3.32Å; K19-N23 PolarHBondContact NZ-OD1 2.87Å; F20-N23 PolarHBondContact O-N 2.92Å; N23-L25 PolarHBondContact O-N 2.83Å
24	K	95.1	Very high	95.2	Very high	142 Å²	142	50.7 Å²	50.7	62%	0.617	27%	0.267	S	S	*	.			trans	-68.8	129.5	170.8	-176.8	-178.8	177.6	-174.1	0	110.1	K19 F20 G22	K19-K24 CarbonylContact C-O 3.57Å; K19-K24 WeakPolarHBondContact CA-O 3.38Å; F20-K24 HydrophobicContact CB-CB 4.42Å; F20-K24 HydrophobicContact CD2-CB 4.24Å; F20-K24 HydrophobicContact CD2-CD 4.37Å; F20-K24 HydrophobicContact CD2-CG 4.28Å; F20-K24 WeakPolarHBondContact CD2-O 3.38Å; F20-K24 PolarHBondContact N-O 2.72Å; G22-K24 VanDerWaalsContact C-N 3.27Å; G22-K24 PolarHBondContact O-N 3.19Å
25	L	95	Very high	95.2	Very high	106 Å²	106	51.6 Å²	51.6	56%	0.555	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	143.2	174.3	-68.7	168.9	0	0	0	110.7	T17 R18 K19 N23	T17-L25 HydrophobicContact CG2-CB 4.48Å; T17-L25 HydrophobicContact CG2-CD2 4.09Å; R18-L25 CarbonylContact O-C 3.51Å; R18-L25 WeakPolarHBondContact O-CA 3.38Å; K19-L25 HydrophobicContact CB-CD2 3.64Å; K19-L25 HydrophobicContact CD-CD2 4.18Å; K19-L25 HydrophobicContact CG-CD2 3.74Å; N23-L25 PolarHBondContact O-N 2.83Å
26	E	96.6	Very high	95.2	Very high	42 Å²	42	54.8 Å²	54.8	20%	0.196	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	120.6	170.3	-179	176.9	-120.1	0	0	109.8	T17 R18 F20 L43	T17-E26 WeakPolarHBondContact CA-O 3.2Å; T17-E26 WeakPolarHBondContact CG2-O 3.31Å; R18-E26 HydrophobicContact CG-CB 4.13Å; R18-E26 IonicContact CZ-OE2 3.7Å; R18-E26 PolarHBondContact N-O 2.77Å; R18-E26 IonicContact NE-OE2 2.72Å; R18-E26 PolarHBondContact NE-OE2 3.19Å; R18-E26 IonicContact NH2-OE2 3.8Å; R18-E26 PolarHBondContact NH2-OE2 3.44Å; R18-E26 PolarHBondContact O-N 2.93Å; F20-E26 HydrophobicContact CE2-CB 3.78Å; E26-L43 HydrophobicContact CG-CD1 4.43Å
27	Y	95.6	Very high	95.1	Very high	68 Å²	68	56.9 Å²	56.9	27%	0.267	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	130	173.3	177.6	-110.1	0	0	0	110	N15 G29 Y30 Y38 N40 F88	N15-Y27 HydrophobicContact CB-CE2 4.15Å; N15-Y27 PolarHBondContact OD1-OH 3.03Å; Y27-G29 WeakPolarHBondContact OH-CA 3.49Å; Y27-G29 PolarHBondContact OH-O 2.67Å; Y27-Y30 WeakPolarHBondContact OH-CB 3.03Å; Y27-Y30 WeakPolarHBondContact OH-CD1 3.42Å; Y27-Y30 PolarHBondContact OH-N 2.69Å; Y27-Y38 AromaticContact CE1-CD1 3.92Å; Y27-Y38 HydrophobicContact CE1-CD1 3.92Å; Y27-Y38 AromaticContact CE1-CE1 3.88Å; Y27-Y38 HydrophobicContact CE1-CE1 3.88Å; Y27-N40 WeakPolarHBondContact O-CB 3.46Å; Y27-N40 PolarHBondContact O-ND2 2.79Å; Y27-F88 HydrophobicContact CD2-CZ 4.26Å; Y27-F88 HydrophobicContact CE2-CZ 4.19Å
28	M	97.1	Very high	95.1	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-38.3	-174.9	-56.2	-174.5	69.1	0	0	112.2	W16 R18 N40 L43 I47 L60 Y73	W16-M28 HydrophobicContact CB-CB 4.05Å; W16-M28 HydrophobicContact CB-SD 4.45Å; W16-M28 WeakPolarHBondContact O-CB 3.49Å; W16-M28 PolarHBondContact O-N 2.76Å; R18-M28 HydrophobicContact CB-SD 4.06Å; R18-M28 HydrophobicContact CG-CG 4.23Å; R18-M28 HydrophobicContact CG-SD 4.03Å; M28-N40 WeakPolarHBondContact O-CB 3.44Å; M28-N40 PolarHBondContact O-N 3.32Å; M28-L43 HydrophobicContact CB-CD1 4.16Å; M28-L43 HydrophobicContact CE-CD1 4.19Å; M28-L43 HydrophobicContact CG-CD1 3.96Å; M28-I47 HydrophobicContact CB-CD1 4.12Å; M28-I47 HydrophobicContact CE-CG2 3.79Å; M28-I47 WeakPolarHBondContact O-CD1 3.42Å; M28-L60 HydrophobicContact CE-CD1 4.12Å; M28-L60 HydrophobicContact CE-CD2 3.68Å; M28-L60 HydrophobicContact CE-CG 4.45Å; M28-L60 HydrophobicContact SD-CD2 3.7Å; M28-Y73 HydrophobicContact CE-CD1 4.39Å; M28-Y73 HydrophobicContact CE-CE1 3.85Å; M28-Y73 HydrophobicContact SD-CD1 3.68Å; M28-Y73 HydrophobicContact SD-CE1 3.62Å
29	G	96	Very high	95.1	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.1	-178.9	-177	0	0	0	0	0	113.1	N15 W16 Y27 Y38	N15-G29 WeakPolarHBondContact CA-O 3.41Å; W16-G29 PolarHBondContact N-O 3.06Å; W16-G29 PolarHBondContact O-N 2.79Å; Y27-G29 WeakPolarHBondContact OH-CA 3.49Å; Y27-G29 PolarHBondContact OH-O 2.67Å; G29-Y38 CarbonylContact C-O 3.55Å; G29-Y38 WeakPolarHBondContact CA-O 3.06Å
30	Y	95.7	Very high	95	Very high	68 Å²	68	61.5 Å²	61.5	27%	0.267	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	163.9	176.8	70.8	-115.7	0	0	0	112.6	Y13 W14 N15 Y27 T37 Y38	Y13-Y30 AromaticContact CD1-CD2 3.75Å; Y13-Y30 HydrophobicContact CD1-CD2 3.75Å; Y13-Y30 HydrophobicContact CD1-CE1 4.5Å; Y13-Y30 AromaticContact CD1-CE2 3.66Å; Y13-Y30 HydrophobicContact CD1-CE2 3.66Å; Y13-Y30 HydrophobicContact CD1-CG 4.26Å; Y13-Y30 HydrophobicContact CE1-CD2 4.41Å; Y13-Y30 AromaticContact CE1-CE2 3.87Å; Y13-Y30 HydrophobicContact CE1-CE2 3.87Å; W14-Y30 CarbonylContact O-C 3.53Å; W14-Y30 WeakPolarHBondContact O-CA 3.32Å; W14-Y30 WeakPolarHBondContact O-CB 3.5Å; N15-Y30 VanDerWaalsContact OD1-CB 3.3Å; N15-Y30 WeakPolarHBondContact OD1-CB 3.35Å; Y27-Y30 WeakPolarHBondContact OH-CB 3.03Å; Y27-Y30 WeakPolarHBondContact OH-CD1 3.42Å; Y27-Y30 PolarHBondContact OH-N 2.69Å; Y30-T37 VanDerWaalsContact O-CA 3.28Å; Y30-T37 WeakPolarHBondContact O-CA 3.19Å; Y30-Y38 HydrophobicContact CD1-CG 4.49Å; Y30-Y38 VanDerWaalsContact CE1-CB 3.43Å; Y30-Y38 HydrophobicContact CE1-CD1 4.42Å; Y30-Y38 HydrophobicContact CE1-CG 4.06Å; Y30-Y38 VanDerWaalsContact CZ-CB 3.48Å; Y30-Y38 PolarHBondContact N-O 2.8Å; Y30-Y38 PolarHBondContact O-N 2.04Å
31	I	96.1	Very high	94.9	Very high	7 Å²	7	64.2 Å²	64.2	4%	0.036	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.1	158.5	-170.2	162.9	0	0	0	109.8	W14 S36 T37 I49 R51 Y58	W14-I31 HydrophobicContact CB-CG2 4.05Å; W14-I31 PolarHBondContact N-O 3.12Å; W14-I31 PolarHBondContact O-N 2.86Å; I31-S36 WeakPolarHBondContact CA-O 3.37Å; I31-T37 HydrophobicContact CB-CG2 4.15Å; I31-T37 HydrophobicContact CD1-CG2 3.98Å; I31-T37 HydrophobicContact CG1-CG2 3.93Å; I31-I49 HydrophobicContact CB-CG2 3.73Å; I31-I49 HydrophobicContact CG2-CG2 3.74Å; I31-R51 HydrophobicContact CD1-CB 4.03Å; I31-R51 HydrophobicContact CD1-CG 3.79Å; I31-Y58 HydrophobicContact CG2-CD2 4.5Å
32	S	93.8	Very high	95	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.014	35%	0.354	C	S	.	.			trans	-81.9	170.8	-179.6	71.3	0	0	0	0	112	D12 S34 G35 S36 R51	D12-S32 CarbonylContact O-C 3.6Å; S32-S34 PolarHBondContact O-N 3.19Å; S32-S34 PolarHBondContact OG-N 2.91Å; S32-S34 PolarHBondContact OG-OG 2.98Å; S32-G35 WeakPolarHBondContact O-CA 3.11Å; S32-G35 PolarHBondContact O-N 2.76Å; S32-G35 PolarHBondContact OG-N 3.27Å; S32-S36 PolarHBondContact N-O 3.47Å; S32-S36 WeakPolarHBondContact OG-CB 3.3Å; S32-S36 PolarHBondContact OG-N 2.9Å; S32-S36 PolarHBondContact OG-O 3.09Å; S32-R51 PolarHBondContact O-NH1 3.42Å
33	Y	91.4	Very high	95	Very high	117 Å²	117	60.5 Å²	60.5	46%	0.459	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-25.1	170.7	70.4	-91.1	0	0	0	113.9	T10 D12 Y13 R51	T10-Y33 WeakPolarHBondContact O-CB 3.35Å; D12-Y33 WeakPolarHBondContact O-CA 3.31Å; D12-Y33 PolarHBondContact O-N 3.28Å; Y13-Y33 HydrophobicContact CD2-CD1 4.43Å; Y13-Y33 AromaticContact CE2-CD1 3.84Å; Y13-Y33 HydrophobicContact CE2-CD1 3.84Å; Y13-Y33 AromaticContact CE2-CE1 3.92Å; Y13-Y33 HydrophobicContact CE2-CE1 3.92Å; Y33-R51 VanDerWaalsContact O-CZ 3.24Å; Y33-R51 PolarHBondContact O-NH1 3.06Å; Y33-R51 PolarHBondContact O-NH2 2.81Å
34	S	92.8	Very high	95.2	Very high	68 Å²	68	61.7 Å²	61.7	48%	0.476	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-9.2	173.4	60.2	0	0	0	0	113.1	S32 S36 R51	S32-S34 PolarHBondContact O-N 3.19Å; S32-S34 PolarHBondContact OG-N 2.91Å; S32-S34 PolarHBondContact OG-OG 2.98Å; S34-S36 PolarHBondContact OG-OG 2.87Å; S34-S36 VanDerWaalsContact OG-OG 3.13Å; S34-R51 PolarHBondContact O-NH2 2.83Å
35	G	94.4	Very high	95.2	Very high	29 Å²	29	60.2 Å²	60.2	30%	0.299	33%	0.327	S	S	.	.	S	Bend	trans	88.9	3.7	-175.8	0	0	0	0	0	113.6	S32	S32-G35 WeakPolarHBondContact O-CA 3.11Å; S32-G35 PolarHBondContact O-N 2.76Å; S32-G35 PolarHBondContact OG-N 3.27Å
36	S	94.7	Very high	95.2	Very high	72 Å²	72	57.8 Å²	57.8	50%	0.503	31%	0.311	S	S	.	.			trans	-68.8	134.2	173.2	-55	0	0	0	0	110.1	I31 S32 S34	I31-S36 WeakPolarHBondContact CA-O 3.37Å; S32-S36 PolarHBondContact N-O 3.47Å; S32-S36 WeakPolarHBondContact OG-CB 3.3Å; S32-S36 PolarHBondContact OG-N 2.9Å; S32-S36 PolarHBondContact OG-O 3.09Å; S34-S36 PolarHBondContact OG-OG 2.87Å; S34-S36 VanDerWaalsContact OG-OG 3.13Å
37	T	96.3	Very high	95.3	Very high	56 Å²	56	56.1 Å²	56.1	34%	0.344	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	140.1	-177.6	55.4	0	0	0	0	111.7	Y30 I31 Y39	Y30-T37 VanDerWaalsContact O-CA 3.28Å; Y30-T37 WeakPolarHBondContact O-CA 3.19Å; I31-T37 HydrophobicContact CB-CG2 4.15Å; I31-T37 HydrophobicContact CD1-CG2 3.98Å; I31-T37 HydrophobicContact CG1-CG2 3.93Å; T37-Y39 VanDerWaalsContact OG1-CE2 3.26Å; T37-Y39 WeakPolarHBondContact OG1-CE2 3.45Å; T37-Y39 PolarHBondContact OG1-OH 3.47Å
38	Y	95.5	Very high	95.4	Very high	107 Å²	107	54.7 Å²	54.7	42%	0.42	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	140.2	163.4	175.4	-90.2	0	0	0	109.3	Y27 G29 Y30	Y27-Y38 AromaticContact CE1-CD1 3.92Å; Y27-Y38 HydrophobicContact CE1-CD1 3.92Å; Y27-Y38 AromaticContact CE1-CE1 3.88Å; Y27-Y38 HydrophobicContact CE1-CE1 3.88Å; G29-Y38 CarbonylContact C-O 3.55Å; G29-Y38 WeakPolarHBondContact CA-O 3.06Å; Y30-Y38 HydrophobicContact CD1-CG 4.49Å; Y30-Y38 VanDerWaalsContact CE1-CB 3.43Å; Y30-Y38 HydrophobicContact CE1-CD1 4.42Å; Y30-Y38 HydrophobicContact CE1-CG 4.06Å; Y30-Y38 VanDerWaalsContact CZ-CB 3.48Å; Y30-Y38 PolarHBondContact N-O 2.8Å; Y30-Y38 PolarHBondContact O-N 2.04Å
39	Y	96.8	Very high	95.4	Very high	46 Å²	46	54.9 Å²	54.9	18%	0.18	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.1	178.4	-58.9	-74.2	0	0	0	109.8	T37 P41 K44 I47 I49	T37-Y39 VanDerWaalsContact OG1-CE2 3.26Å; T37-Y39 WeakPolarHBondContact OG1-CE2 3.45Å; T37-Y39 PolarHBondContact OG1-OH 3.47Å; Y39-P41 WeakPolarHBondContact O-CD 3.34Å; Y39-K44 HydrophobicContact CD2-CG 4.29Å; Y39-K44 HydrophobicContact CG-CG 4.34Å; Y39-I47 HydrophobicContact CD1-CD1 3.76Å; Y39-I47 HydrophobicContact CD1-CG1 3.63Å; Y39-I47 HydrophobicContact CE1-CG1 4.17Å; Y39-I49 HydrophobicContact CD1-CD1 4.21Å; Y39-I49 HydrophobicContact CD1-CG1 4.43Å; Y39-I49 HydrophobicContact CE1-CB 4.15Å; Y39-I49 HydrophobicContact CE1-CD1 4.1Å; Y39-I49 HydrophobicContact CE1-CG1 3.91Å; Y39-I49 PolarHBondContact OH-N 3.2Å
40	N	96.2	Very high	95.5	Very high	29 Å²	29	58 Å²	58	16%	0.155	32%	0.323	C	S	.	.			trans	-58.4	124.4	164.2	-178.6	-29.4	0	0	0	108.8	Y27 M28 S42 L43 K44	Y27-N40 WeakPolarHBondContact O-CB 3.46Å; Y27-N40 PolarHBondContact O-ND2 2.79Å; M28-N40 WeakPolarHBondContact O-CB 3.44Å; M28-N40 PolarHBondContact O-N 3.32Å; N40-S42 PolarHBondContact O-N 2.84Å; N40-S42 VanDerWaalsContact O-N 3.11Å; N40-S42 PolarHBondContact OD1-N 2.88Å; N40-L43 HydrophobicContact CB-CB 4.45Å; N40-L43 HydrophobicContact CB-CD1 4.28Å; N40-L43 HydrophobicContact CB-CG 4.5Å; N40-L43 PolarHBondContact O-N 2.84Å; N40-K44 PolarHBondContact O-N 3.11Å
41	P	96.3	Very high	95.6	Very high	96 Å²	96	58.1 Å²	58.1	62%	0.623	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-37.1	-178	-29.4	35.9	0	0	0	114.2	Y39 L43	Y39-P41 WeakPolarHBondContact O-CD 3.34Å; P41-L43 PolarHBondContact O-N 3.3Å
42	S	94.2	Very high	95.6	Very high	94 Å²	94	59.5 Å²	59.5	66%	0.657	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-19.4	179.7	-58.6	0	0	0	0	113.8	N40	N40-S42 PolarHBondContact O-N 2.84Å; N40-S42 VanDerWaalsContact O-N 3.11Å; N40-S42 PolarHBondContact OD1-N 2.88Å
43	L	95.3	Very high	95.7	Very high	5 Å²	5	63.1 Å²	63.1	3%	0.026	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-9.7	-176.6	-60.3	172.4	0	0	0	113	E26 M28 N40 P41 S45 R46 I47	E26-L43 HydrophobicContact CG-CD1 4.43Å; M28-L43 HydrophobicContact CB-CD1 4.16Å; M28-L43 HydrophobicContact CE-CD1 4.19Å; M28-L43 HydrophobicContact CG-CD1 3.96Å; N40-L43 HydrophobicContact CB-CB 4.45Å; N40-L43 HydrophobicContact CB-CD1 4.28Å; N40-L43 HydrophobicContact CB-CG 4.5Å; N40-L43 PolarHBondContact O-N 2.84Å; P41-L43 PolarHBondContact O-N 3.3Å; L43-S45 PolarHBondContact O-N 2.9Å; L43-R46 PolarHBondContact O-N 3.04Å; L43-I47 HydrophobicContact CB-CD1 3.87Å; L43-I47 HydrophobicContact CB-CG1 4.17Å; L43-I47 HydrophobicContact CB-CG2 4.13Å; L43-I47 WeakPolarHBondContact O-CG1 3.32Å; L43-I47 PolarHBondContact O-N 2.96Å
44	K	93.9	Very high	96	Very high	141 Å²	141	62.4 Å²	62.4	61%	0.613	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-31	-170.2	-173.3	175.9	-179.9	-178.3	0	114.6	Y39 N40	Y39-K44 HydrophobicContact CD2-CG 4.29Å; Y39-K44 HydrophobicContact CG-CG 4.34Å; N40-K44 PolarHBondContact O-N 3.11Å
45	S	95.6	Very high	96.2	Very high	112 Å²	112	64.9 Å²	64.9	78%	0.783	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-17.7	177.8	57.8	0	0	0	0	113.9	L43	L43-S45 PolarHBondContact O-N 2.9Å
46	R	95.9	Very high	96.3	Very high	54 Å²	54	65.3 Å²	65.3	20%	0.204	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-20.4	-173.1	-56.3	-158.8	-59.4	136.2	0.6	113.5	L43 L62 N63 S64 D69	L43-R46 PolarHBondContact O-N 3.04Å; R46-L62 HydrophobicContact CB-CD1 4.29Å; R46-N63 PolarHBondContact O-N 3.04Å; R46-S64 PolarHBondContact NH1-O 3.05Å; R46-D69 IonicContact CZ-OD1 3.74Å; R46-D69 IonicContact CZ-OD2 3.45Å; R46-D69 IonicContact NH1-OD1 3.84Å; R46-D69 PolarHBondContact NH1-OD1 3.11Å; R46-D69 IonicContact NH1-OD2 2.79Å; R46-D69 PolarHBondContact NH1-OD2 2.87Å; R46-D69 IonicContact NH2-OD1 2.76Å; R46-D69 PolarHBondContact NH2-OD1 2.82Å; R46-D69 IonicContact NH2-OD2 2.92Å
47	I	97.3	Very high	96.4	Very high	8 Å²	8	64 Å²	64	4%	0.041	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	146.7	-175.5	71.8	176.1	0	0	0	112.5	M28 Y39 L43 L60 Q61 L62	M28-I47 HydrophobicContact CB-CD1 4.12Å; M28-I47 HydrophobicContact CE-CG2 3.79Å; M28-I47 WeakPolarHBondContact O-CD1 3.42Å; Y39-I47 HydrophobicContact CD1-CD1 3.76Å; Y39-I47 HydrophobicContact CD1-CG1 3.63Å; Y39-I47 HydrophobicContact CE1-CG1 4.17Å; L43-I47 HydrophobicContact CB-CD1 3.87Å; L43-I47 HydrophobicContact CB-CG1 4.17Å; L43-I47 HydrophobicContact CB-CG2 4.13Å; L43-I47 WeakPolarHBondContact O-CG1 3.32Å; L43-I47 PolarHBondContact O-N 2.96Å; I47-L60 HydrophobicContact CB-CD1 4.04Å; I47-L60 HydrophobicContact CG2-CD1 4.33Å; I47-Q61 CarbonylContact C-O 3.55Å; I47-Q61 VanDerWaalsContact CA-O 3.25Å; I47-Q61 WeakPolarHBondContact CA-O 3.15Å; I47-L62 HydrophobicContact CG2-CD1 3.57Å
48	S	97.8	Very high	96.5	Very high	37 Å²	37	61.4 Å²	61.4	26%	0.259	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	133	167.9	178.8	0	0	0	0	108.8	Q61	S48-Q61 PolarHBondContact N-O 2.83Å; S48-Q61 PolarHBondContact O-N 3Å
49	I	98.1	Very high	96.6	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.021	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124	178.3	-58.2	169.4	0	0	0	107.6	I31 Y39 Y59 L60	I31-I49 HydrophobicContact CB-CG2 3.73Å; I31-I49 HydrophobicContact CG2-CG2 3.74Å; Y39-I49 HydrophobicContact CD1-CD1 4.21Å; Y39-I49 HydrophobicContact CD1-CG1 4.43Å; Y39-I49 HydrophobicContact CE1-CB 4.15Å; Y39-I49 HydrophobicContact CE1-CD1 4.1Å; Y39-I49 HydrophobicContact CE1-CG1 3.91Å; Y39-I49 PolarHBondContact OH-N 3.2Å; I49-Y59 WeakPolarHBondContact CA-O 3.4Å; I49-L60 HydrophobicContact CG1-CD1 3.92Å
50	T	97.8	Very high	96.7	Very high	65 Å²	65	58 Å²	58	40%	0.399	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	169.5	-177.2	64.2	0	0	0	0	111	Y58 Y59	T50-Y58 CarbonylContact O-C 3.53Å; T50-Y58 VanDerWaalsContact O-CA 3.31Å; T50-Y58 WeakPolarHBondContact O-CA 3.37Å; T50-Y58 WeakPolarHBondContact O-CB 3.45Å; T50-Y59 PolarHBondContact N-O 2.94Å; T50-Y59 VanDerWaalsContact N-O 3.08Å; T50-Y59 PolarHBondContact O-N 3.26Å
51	R	97	Very high	96.7	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	-141.7	151.7	179.1	68.1	-179.5	-174.9	168.9	2.5	112.9	I9 I31 S32 Y33 S34 Q57	I9-R51 HydrophobicContact CD1-CB 3.94Å; I31-R51 HydrophobicContact CD1-CB 4.03Å; I31-R51 HydrophobicContact CD1-CG 3.79Å; S32-R51 PolarHBondContact O-NH1 3.42Å; Y33-R51 VanDerWaalsContact O-CZ 3.24Å; Y33-R51 PolarHBondContact O-NH1 3.06Å; Y33-R51 PolarHBondContact O-NH2 2.81Å; S34-R51 PolarHBondContact O-NH2 2.83Å; R51-Q57 WeakPolarHBondContact CA-O 3.39Å
52	D	97.1	Very high	96.7	Very high	36 Å²	36	58.7 Å²	58.7	19%	0.193	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	100.6	171.1	-176.4	-16	0	0	0	107.9	I9 S54 K55 N56 Q57 Y59	I9-D52 WeakPolarHBondContact CD1-O 3.47Å; D52-S54 VanDerWaalsContact C-N 3.25Å; D52-S54 PolarHBondContact O-N 2.92Å; D52-S54 WeakPolarHBondContact OD1-CB 3.34Å; D52-S54 PolarHBondContact OD1-N 3.24Å; D52-S54 PolarHBondContact OD1-OG 3.45Å; D52-K55 HydrophobicContact CB-CB 4.43Å; D52-K55 PolarHBondContact O-N 2.79Å; D52-K55 PolarHBondContact OD1-N 3.25Å; D52-K55 VanDerWaalsContact OD2-CD 3.23Å; D52-K55 WeakPolarHBondContact OD2-CD 3.17Å; D52-K55 VanDerWaalsContact OD2-CE 3.24Å; D52-K55 WeakPolarHBondContact OD2-CE 3.42Å; D52-K55 IonicContact OD2-NZ 3.08Å; D52-K55 PolarHBondContact OD2-NZ 3.05Å; D52-N56 PolarHBondContact O-N 2.81Å; D52-N56 VanDerWaalsContact O-N 3.12Å; D52-Q57 PolarHBondContact N-O 3.29Å; D52-Q57 PolarHBondContact O-N 3.32Å; D52-Q57 VanDerWaalsContact O-N 3.11Å; D52-Y59 HydrophobicContact CB-CE2 3.69Å
53	T	95.9	Very high	96.8	Very high	79 Å²	79	57.5 Å²	57.5	49%	0.485	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-25.2	-177.7	54.3	0	0	0	0	112.3	I9 T10 K55 N56	I9-T53 HydrophobicContact CD1-CG2 4.14Å; I9-T53 HydrophobicContact CG1-CG2 4.29Å; T10-T53 HydrophobicContact CG2-CG2 3.48Å; T10-T53 VanDerWaalsContact CG2-CG2 3.48Å; T53-K55 PolarHBondContact O-N 2.86Å; T53-N56 PolarHBondContact O-N 3.12Å
54	S	96.3	Very high	96.7	Very high	101 Å²	101	62 Å²	62	71%	0.706	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-27.2	176.8	76	0	0	0	0	112.3	D52	D52-S54 VanDerWaalsContact C-N 3.25Å; D52-S54 PolarHBondContact O-N 2.92Å; D52-S54 WeakPolarHBondContact OD1-CB 3.34Å; D52-S54 PolarHBondContact OD1-N 3.24Å; D52-S54 PolarHBondContact OD1-OG 3.45Å
55	K	97.3	Very high	96.7	Very high	121 Å²	121	58.4 Å²	58.4	53%	0.526	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-2.1	180	-63.9	-178.8	-167.2	132.7	0	113.9	D52 T53 Q57	D52-K55 HydrophobicContact CB-CB 4.43Å; D52-K55 PolarHBondContact O-N 2.79Å; D52-K55 PolarHBondContact OD1-N 3.25Å; D52-K55 VanDerWaalsContact OD2-CD 3.23Å; D52-K55 WeakPolarHBondContact OD2-CD 3.17Å; D52-K55 VanDerWaalsContact OD2-CE 3.24Å; D52-K55 WeakPolarHBondContact OD2-CE 3.42Å; D52-K55 IonicContact OD2-NZ 3.08Å; D52-K55 PolarHBondContact OD2-NZ 3.05Å; T53-K55 PolarHBondContact O-N 2.86Å; K55-Q57 HydrophobicContact CB-CB 4.19Å; K55-Q57 HydrophobicContact CB-CG 4.13Å; K55-Q57 PolarHBondContact O-N 2.91Å
56	N	96.8	Very high	96.7	Very high	37 Å²	37	55.9 Å²	55.9	20%	0.198	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	53	42.7	-172.6	-155.9	40.3	0	0	0	112.5	V4 Y7 S8 I9 D52 T53	V4-N56 PolarHBondContact N-O 3.35Å; V4-N56 PolarHBondContact O-ND2 3.46Å; Y7-N56 PolarHBondContact O-ND2 2.96Å; S8-N56 WeakPolarHBondContact CA-OD1 3.36Å; I9-N56 WeakPolarHBondContact CG2-OD1 3.46Å; I9-N56 PolarHBondContact N-OD1 2.91Å; D52-N56 PolarHBondContact O-N 2.81Å; D52-N56 VanDerWaalsContact O-N 3.12Å; T53-N56 PolarHBondContact O-N 3.12Å
57	Q	97.9	Very high	96.7	Very high	44 Å²	44	57.1 Å²	57.1	21%	0.206	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	149.7	-175.7	-79.7	173.9	3.1	0	0	111.9	T1 C2 S3 I9 R51 D52 K55 Y59	T1-Q57 HydrophobicContact CG2-CG 4.34Å; C2-Q57 WeakPolarHBondContact O-CA 3.35Å; S3-Q57 PolarHBondContact OG-NE2 3.23Å; I9-Q57 WeakPolarHBondContact CD1-O 3.41Å; R51-Q57 WeakPolarHBondContact CA-O 3.39Å; D52-Q57 PolarHBondContact N-O 3.29Å; D52-Q57 PolarHBondContact O-N 3.32Å; D52-Q57 VanDerWaalsContact O-N 3.11Å; K55-Q57 HydrophobicContact CB-CB 4.19Å; K55-Q57 HydrophobicContact CB-CG 4.13Å; K55-Q57 PolarHBondContact O-N 2.91Å; Q57-Y59 HydrophobicContact CB-CE1 4.22Å; Q57-Y59 HydrophobicContact CB-CE2 4.2Å; Q57-Y59 WeakPolarHBondContact CB-OH 3.33Å; Q57-Y59 PolarHBondContact OE1-OH 3.39Å
58	Y	97.4	Very high	96.5	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.008	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	155.4	167.3	67.5	-75.6	0	0	0	111.1	T1 C2 V4 I9 W14 W16 I31 T50 C75 A76	T1-Y58 CarbonylContact C-O 3.49Å; C2-Y58 HydrophobicContact CB-CD1 3.96Å; C2-Y58 HydrophobicContact CB-CD2 4.47Å; C2-Y58 HydrophobicContact CB-CE1 3.51Å; C2-Y58 HydrophobicContact CB-CE2 4.07Å; C2-Y58 HydrophobicContact CB-CG 4.43Å; C2-Y58 PolarHBondContact N-O 2.9Å; C2-Y58 PolarHBondContact O-N 2.81Å; C2-Y58 WeakPolarHBondContact SG-CE1 3.43Å; C2-Y58 VanDerWaalsContact SG-CZ 3.51Å; C2-Y58 PolarHBondContact SG-OH 3.05Å; C2-Y58 VanDerWaalsContact SG-OH 3.42Å; V4-Y58 HydrophobicContact CG2-CD1 4.1Å; V4-Y58 HydrophobicContact CG2-CE1 3.74Å; I9-Y58 HydrophobicContact CG2-CD1 4.32Å; W14-Y58 HydrophobicContact CB-CD1 4.05Å; W14-Y58 HydrophobicContact CB-CD2 3.86Å; W14-Y58 HydrophobicContact CB-CE1 3.91Å; W14-Y58 HydrophobicContact CB-CE2 3.72Å; W14-Y58 HydrophobicContact CB-CG 4.02Å; W14-Y58 HydrophobicContact CD2-CD1 4.42Å; W14-Y58 HydrophobicContact CD2-CE1 4.03Å; W14-Y58 HydrophobicContact CE3-CD1 4.41Å; W14-Y58 AromaticContact CE3-CE1 3.62Å; W14-Y58 HydrophobicContact CE3-CE1 3.62Å; W14-Y58 AromaticContact CE3-CZ 3.99Å; W14-Y58 HydrophobicContact CG-CD1 4.26Å; W14-Y58 HydrophobicContact CG-CE1 4.16Å; W14-Y58 HydrophobicContact CZ3-CE1 4.49Å; W16-Y58 AromaticContact CD1-CE2 4Å; W16-Y58 HydrophobicContact CD2-CE2 4.44Å; W16-Y58 AromaticContact CE2-CD2 3.86Å; W16-Y58 AromaticContact CE2-CE2 3.66Å; W16-Y58 HydrophobicContact CZ2-CD2 4.1Å; W16-Y58 AromaticContact CZ2-CE2 3.98Å; W16-Y58 HydrophobicContact CZ2-CE2 3.98Å; W16-Y58 AromaticContact NE1-CD2 3.29Å; W16-Y58 VanDerWaalsContact NE1-CD2 3.29Å; W16-Y58 AromaticContact NE1-CE2 3.38Å; I31-Y58 HydrophobicContact CG2-CD2 4.5Å; T50-Y58 CarbonylContact O-C 3.53Å; T50-Y58 VanDerWaalsContact O-CA 3.31Å; T50-Y58 WeakPolarHBondContact O-CA 3.37Å; T50-Y58 WeakPolarHBondContact O-CB 3.45Å; Y58-C75 HydrophobicContact CE2-CB 4.06Å; Y58-C75 WeakPolarHBondContact OH-CB 3.44Å; Y58-A76 PolarHBondContact OH-N 3.12Å
59	Y	98.1	Very high	96.5	Very high	50 Å²	50	62.1 Å²	62.1	20%	0.196	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	146.6	-165.4	-47.8	-86.4	0	0	0	110.1	T1 I49 T50 D52 Q57	T1-Y59 HydrophobicContact CG2-CD1 3.64Å; T1-Y59 HydrophobicContact CG2-CE1 3.4Å; T1-Y59 WeakPolarHBondContact OG1-CD1 2.86Å; I49-Y59 WeakPolarHBondContact CA-O 3.4Å; T50-Y59 PolarHBondContact N-O 2.94Å; T50-Y59 VanDerWaalsContact N-O 3.08Å; T50-Y59 PolarHBondContact O-N 3.26Å; D52-Y59 HydrophobicContact CB-CE2 3.69Å; Q57-Y59 HydrophobicContact CB-CE1 4.22Å; Q57-Y59 HydrophobicContact CB-CE2 4.2Å; Q57-Y59 WeakPolarHBondContact CB-OH 3.33Å; Q57-Y59 PolarHBondContact OE1-OH 3.39Å
60	L	98.1	Very high	96.4	Very high	32 Å²	32	63.5 Å²	63.5	17%	0.168	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.7	166.1	173.8	71.3	0	0	0	106.2	W16 M28 I47 I49 Y73	W16-L60 HydrophobicContact CB-CD2 4.3Å; W16-L60 HydrophobicContact CD2-CB 3.65Å; W16-L60 HydrophobicContact CD2-CD2 3.97Å; W16-L60 HydrophobicContact CD2-CG 4.36Å; W16-L60 VanDerWaalsContact CE2-CB 3.49Å; W16-L60 HydrophobicContact CE3-CB 4.19Å; W16-L60 HydrophobicContact CE3-CD2 3.98Å; W16-L60 HydrophobicContact CG-CB 3.95Å; W16-L60 HydrophobicContact CG-CD1 4.36Å; W16-L60 HydrophobicContact CG-CD2 4.11Å; W16-L60 HydrophobicContact CG-CG 4.38Å; W16-L60 HydrophobicContact CH2-CB 4.45Å; W16-L60 HydrophobicContact CZ2-CB 3.93Å; M28-L60 HydrophobicContact CE-CD1 4.12Å; M28-L60 HydrophobicContact CE-CD2 3.68Å; M28-L60 HydrophobicContact CE-CG 4.45Å; M28-L60 HydrophobicContact SD-CD2 3.7Å; I47-L60 HydrophobicContact CB-CD1 4.04Å; I47-L60 HydrophobicContact CG2-CD1 4.33Å; I49-L60 HydrophobicContact CG1-CD1 3.92Å; L60-Y73 HydrophobicContact CD2-CD1 3.84Å; L60-Y73 HydrophobicContact CD2-CE1 4.21Å
61	Q	97.8	Very high	96.4	Very high	110 Å²	110	60.5 Å²	60.5	51%	0.514	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	126.7	167.1	-179.3	174.4	7.6	0	0	107.9	I47 S48 N63	I47-Q61 CarbonylContact C-O 3.55Å; I47-Q61 VanDerWaalsContact CA-O 3.25Å; I47-Q61 WeakPolarHBondContact CA-O 3.15Å; S48-Q61 PolarHBondContact N-O 2.83Å; S48-Q61 PolarHBondContact O-N 3Å; Q61-N63 PolarHBondContact NE2-OD1 3.03Å
62	L	96.3	Very high	96.5	Very high	29 Å²	29	58.5 Å²	58.5	15%	0.152	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.9	175.2	178.4	65.9	0	0	0	107.9	R46 I47 V65 D69 Y73	R46-L62 HydrophobicContact CB-CD1 4.29Å; I47-L62 HydrophobicContact CG2-CD1 3.57Å; L62-V65 HydrophobicContact CD2-CG2 4.17Å; L62-V65 HydrophobicContact CG-CG2 4.05Å; L62-D69 HydrophobicContact CD2-CB 4.04Å; L62-Y73 HydrophobicContact CD2-CE1 4.33Å; L62-Y73 WeakPolarHBondContact CD2-OH 3.23Å
63	N	95.4	Very high	96.6	Very high	70 Å²	70	57.5 Å²	57.5	37%	0.374	32%	0.316	S	S	.	.			trans	-101.3	155.3	-179.3	-61.6	-38.8	0	0	0	110.6	R46 Q61 V65	R46-N63 PolarHBondContact O-N 3.04Å; Q61-N63 PolarHBondContact NE2-OD1 3.03Å; N63-V65 PolarHBondContact O-N 2.94Å
64	S	92.3	Very high	96.7	Very high	99 Å²	99	56 Å²	56	69%	0.692	30%	0.302	S	S	*	.	S	Bend	trans	52.2	55.5	178.6	-53.6	0	0	0	0	111.9	R46	R46-S64 PolarHBondContact NH1-O 3.05Å
65	V	94.5	Very high	96.7	Very high	65 Å²	65	52 Å²	52	39%	0.394	27%	0.273	S	S	.	.			trans	-68.7	131.1	-176.8	-175.2	0	0	0	0	109.9	L62 N63 D69 L97 V99	L62-V65 HydrophobicContact CD2-CG2 4.17Å; L62-V65 HydrophobicContact CG-CG2 4.05Å; N63-V65 PolarHBondContact O-N 2.94Å; V65-D69 WeakPolarHBondContact CA-OD2 3.25Å; V65-D69 HydrophobicContact CG1-CB 3.92Å; V65-L97 HydrophobicContact CG1-CD2 4.21Å; V65-V99 HydrophobicContact CG1-CB 4.43Å; V65-V99 HydrophobicContact CG1-CG1 4.21Å; V65-V99 HydrophobicContact CG1-CG2 3.44Å; V65-V99 VanDerWaalsContact CG1-CG2 3.44Å
66	T	95.4	Very high	96.5	Very high	59 Å²	59	46.3 Å²	46.3	36%	0.362	25%	0.249	S	C	.	.			trans	-121.2	174	177	69.3	0	0	0	0	111.4	E68 D69 V99	T66-E68 PolarHBondContact O-N 2.81Å; T66-E68 PolarHBondContact OG1-N 2.76Å; T66-D69 PolarHBondContact N-OD2 3.1Å; T66-D69 WeakPolarHBondContact O-CB 3.4Å; T66-D69 PolarHBondContact O-N 3.32Å; T66-V99 WeakPolarHBondContact O-CB 3.44Å; T66-V99 WeakPolarHBondContact O-CG1 3.49Å
67	T	96.4	Very high	96.4	Very high	80 Å²	80	45.8 Å²	45.8	49%	0.491	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-56.5	-30.3	175	51.2	0	0	0	0	112.6	D69 T70	T67-D69 PolarHBondContact O-N 2.71Å; T67-T70 VanDerWaalsContact O-CB 3.31Å; T67-T70 WeakPolarHBondContact O-CB 3.39Å; T67-T70 PolarHBondContact O-N 2.84Å; T67-T70 VanDerWaalsContact O-N 3.12Å; T67-T70 PolarHBondContact O-OG1 2.98Å
68	E	93.9	Very high	95.9	Very high	150 Å²	150	44 Å²	44	70%	0.701	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-65.6	-19.3	175.4	-59.5	178.7	173.4	0	0	113.3	F20 T66 T70	F20-E68 WeakPolarHBondContact CE1-O 3.3Å; T66-E68 PolarHBondContact O-N 2.81Å; T66-E68 PolarHBondContact OG1-N 2.76Å; E68-T70 PolarHBondContact O-N 3.14Å
69	D	96.1	Very high	95	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-83.4	2.7	175.8	-63.3	-51.5	0	0	0	112.8	R18 R46 L62 V65 T66 T67 A71 Y73	R18-D69 IonicContact CZ-OD1 2.67Å; R18-D69 IonicContact NH1-OD1 3.71Å; R18-D69 PolarHBondContact NH1-OD1 2.84Å; R18-D69 IonicContact NH2-OD1 2.69Å; R46-D69 IonicContact CZ-OD1 3.74Å; R46-D69 IonicContact CZ-OD2 3.45Å; R46-D69 IonicContact NH1-OD1 3.84Å; R46-D69 PolarHBondContact NH1-OD1 3.11Å; R46-D69 IonicContact NH1-OD2 2.79Å; R46-D69 PolarHBondContact NH1-OD2 2.87Å; R46-D69 IonicContact NH2-OD1 2.76Å; R46-D69 PolarHBondContact NH2-OD1 2.82Å; R46-D69 IonicContact NH2-OD2 2.92Å; L62-D69 HydrophobicContact CD2-CB 4.04Å; V65-D69 WeakPolarHBondContact CA-OD2 3.25Å; V65-D69 HydrophobicContact CG1-CB 3.92Å; T66-D69 PolarHBondContact N-OD2 3.1Å; T66-D69 WeakPolarHBondContact O-CB 3.4Å; T66-D69 PolarHBondContact O-N 3.32Å; T67-D69 PolarHBondContact O-N 2.71Å; D69-A71 PolarHBondContact O-N 3.02Å; D69-Y73 PolarHBondContact O-OH 2.84Å
70	T	97.6	Very high	93.4	Very high	33 Å²	33	49.2 Å²	49.2	20%	0.202	27%	0.274	C	S	.	.			trans	-63.7	107.4	173.2	-65.2	0	0	0	0	110.5	P21 T67 E68 L97 T98 V99	P21-T70 WeakPolarHBondContact CD-O 3.47Å; T67-T70 VanDerWaalsContact O-CB 3.31Å; T67-T70 WeakPolarHBondContact O-CB 3.39Å; T67-T70 PolarHBondContact O-N 2.84Å; T67-T70 VanDerWaalsContact O-N 3.12Å; T67-T70 PolarHBondContact O-OG1 2.98Å; E68-T70 PolarHBondContact O-N 3.14Å; T70-L97 WeakPolarHBondContact CA-O 3.3Å; T70-T98 HydrophobicContact CG2-CG2 4.37Å; T70-V99 PolarHBondContact OG1-N 3.21Å; T70-V99 PolarHBondContact OG1-O 3.05Å
71	A	98	Very high	91.5	Very high	2 Å²	2	49.7 Å²	49.7	2%	0.017	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	167.3	-176.2	0	0	0	0	0	111.1	R18 K19 F20 D69 Y73 L97	R18-A71 HydrophobicContact CB-CB 4.01Å; R18-A71 HydrophobicContact CG-CB 4.41Å; K19-A71 WeakPolarHBondContact O-CA 3.07Å; K19-A71 WeakPolarHBondContact O-CB 3.38Å; F20-A71 HydrophobicContact CD1-CB 3.97Å; F20-A71 HydrophobicContact CE1-CB 4.24Å; D69-A71 PolarHBondContact O-N 3.02Å; A71-Y73 HydrophobicContact CB-CD2 4.34Å; A71-Y73 HydrophobicContact CB-CE2 3.81Å; A71-Y73 WeakPolarHBondContact O-CD2 2.95Å; A71-L97 PolarHBondContact N-O 3.32Å; A71-L97 VanDerWaalsContact N-O 3.12Å; A71-L97 PolarHBondContact O-N 3.26Å
72	T	98.4	Very high	89.2	Confident	29 Å²	29	55 Å²	55	18%	0.178	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.8	164.6	-53.3	0	0	0	0	109.5	R18 K19 Y74 T95 T96	R18-T72 CarbonylContact C-O 3.55Å; R18-T72 VanDerWaalsContact CA-O 3.3Å; R18-T72 WeakPolarHBondContact CA-O 3.14Å; K19-T72 PolarHBondContact N-O 3.43Å; K19-T72 PolarHBondContact O-N 3.08Å; T72-Y74 HydrophobicContact CG2-CD2 4.31Å; T72-Y74 HydrophobicContact CG2-CE1 4.13Å; T72-Y74 HydrophobicContact CG2-CE2 3.5Å; T72-Y74 VanDerWaalsContact CG2-CZ 3.4Å; T72-Y74 WeakPolarHBondContact CG2-OH 3.48Å; T72-Y74 WeakPolarHBondContact O-CD2 3.46Å; T72-Y74 VanDerWaalsContact O-CE2 3.31Å; T72-Y74 WeakPolarHBondContact O-CE2 3.34Å; T72-T95 CarbonylContact C-O 3.49Å; T72-T95 WeakPolarHBondContact CA-O 3.39Å; T72-T96 PolarHBondContact OG1-OG1 3.13Å; T72-T96 VanDerWaalsContact OG1-OG1 3.09Å
73	Y	98.2	Very high	87.3	Confident	14 Å²	14	64 Å²	64	6%	0.055	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.7	-175.9	-70.1	-105	0	0	0	109.6	R18 M28 L60 L62 D69 A71 G94 T95 L97	R18-Y73 HydrophobicContact CB-CD1 3.9Å; R18-Y73 HydrophobicContact CB-CE1 3.97Å; R18-Y73 HydrophobicContact CB-CG 4.2Å; R18-Y73 HydrophobicContact CG-CE1 4.48Å; R18-Y73 PolarHBondContact NH1-OH 2.9Å; M28-Y73 HydrophobicContact CE-CD1 4.39Å; M28-Y73 HydrophobicContact CE-CE1 3.85Å; M28-Y73 HydrophobicContact SD-CD1 3.68Å; M28-Y73 HydrophobicContact SD-CE1 3.62Å; L60-Y73 HydrophobicContact CD2-CD1 3.84Å; L60-Y73 HydrophobicContact CD2-CE1 4.21Å; L62-Y73 HydrophobicContact CD2-CE1 4.33Å; L62-Y73 WeakPolarHBondContact CD2-OH 3.23Å; D69-Y73 PolarHBondContact O-OH 2.84Å; A71-Y73 HydrophobicContact CB-CD2 4.34Å; A71-Y73 HydrophobicContact CB-CE2 3.81Å; A71-Y73 WeakPolarHBondContact O-CD2 2.95Å; Y73-G94 CarbonylContact O-C 3.6Å; Y73-G94 WeakPolarHBondContact O-CA 3.46Å; Y73-T95 PolarHBondContact N-O 2.77Å; Y73-T95 PolarHBondContact O-N 2.89Å; Y73-L97 HydrophobicContact CD2-CB 4.01Å; Y73-L97 HydrophobicContact CE2-CB 3.76Å; Y73-L97 HydrophobicContact CE2-CD2 4.01Å
74	Y	97.9	Very high	85.4	Confident	48 Å²	48	62.6 Å²	62.6	19%	0.188	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	142.8	-178.5	-59.9	-93.7	0	0	0	110	W16 T17 K19 T72 W91 G92 G94	W16-Y74 WeakPolarHBondContact CA-O 3.42Å; T17-Y74 PolarHBondContact N-O 3Å; T17-Y74 PolarHBondContact O-N 3.32Å; K19-Y74 HydrophobicContact CB-CD2 4.32Å; K19-Y74 HydrophobicContact CB-CE2 3.65Å; K19-Y74 HydrophobicContact CD-CE2 4.35Å; T72-Y74 HydrophobicContact CG2-CD2 4.31Å; T72-Y74 HydrophobicContact CG2-CE1 4.13Å; T72-Y74 HydrophobicContact CG2-CE2 3.5Å; T72-Y74 VanDerWaalsContact CG2-CZ 3.4Å; T72-Y74 WeakPolarHBondContact CG2-OH 3.48Å; T72-Y74 WeakPolarHBondContact O-CD2 3.46Å; T72-Y74 VanDerWaalsContact O-CE2 3.31Å; T72-Y74 WeakPolarHBondContact O-CE2 3.34Å; Y74-W91 HydrophobicContact CD1-CE3 4.47Å; Y74-W91 HydrophobicContact CG-CE3 4.22Å; Y74-W91 HydrophobicContact CG-CZ3 4.36Å; Y74-G92 WeakPolarHBondContact CD1-O 3.4Å; Y74-G94 VanDerWaalsContact CD1-CA 3.48Å
75	C	96.3	Very high	83.7	Confident	16 Å²	16	59.8 Å²	59.8	11%	0.108	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	139.2	171.6	73.2	0	0	0	0	108	C2 N15 W16 Y58 G92	C2-C75 HydrophobicContact CB-CB 3.37Å; C2-C75 WeakPolarHBondContact CB-SG 3.4Å; C2-C75 WeakPolarHBondContact SG-CB 3.21Å; C2-C75 CovalentContact SG-SG 2.04Å; C2-C75 PolarHBondContact SG-SG 3.48Å; N15-C75 CarbonylContact O-C 3.48Å; N15-C75 VanDerWaalsContact O-CA 3.3Å; N15-C75 WeakPolarHBondContact O-CA 3.46Å; W16-C75 HydrophobicContact CD2-CB 4.37Å; W16-C75 HydrophobicContact CE3-CB 4.06Å; W16-C75 HydrophobicContact CH2-CB 3.81Å; W16-C75 HydrophobicContact CZ2-CB 4.14Å; W16-C75 HydrophobicContact CZ3-CB 3.78Å; Y58-C75 HydrophobicContact CE2-CB 4.06Å; Y58-C75 WeakPolarHBondContact OH-CB 3.44Å; C75-G92 PolarHBondContact O-N 3.06Å
76	A	94.7	Very high	82.2	Confident	2 Å²	2	66 Å²	66	2%	0.017	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	146.1	-174.3	0	0	0	0	0	112.9	N15 Y58 F88 C90 W91	N15-A76 HydrophobicContact CB-CB 4.4Å; N15-A76 WeakPolarHBondContact CB-O 3.31Å; N15-A76 PolarHBondContact N-O 3.4Å; N15-A76 PolarHBondContact ND2-O 3.28Å; N15-A76 PolarHBondContact O-N 3.45Å; Y58-A76 PolarHBondContact OH-N 3.12Å; A76-F88 HydrophobicContact CB-CB 4.37Å; A76-F88 HydrophobicContact CB-CD1 3.77Å; A76-F88 HydrophobicContact CB-CE1 4.38Å; A76-F88 HydrophobicContact CB-CG 4.22Å; A76-C90 CarbonylContact C-O 3.57Å; A76-C90 WeakPolarHBondContact CA-O 3.23Å; A76-W91 HydrophobicContact CB-CD2 3.88Å; A76-W91 HydrophobicContact CB-CE3 3.95Å; A76-W91 HydrophobicContact CB-CG 4.33Å; A76-W91 HydrophobicContact CB-CZ3 4.28Å
77	R	92.9	Very high	80.9	Confident	26 Å²	26	72 Å²	72	10%	0.098	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	143	172.8	-166.8	-177.7	78.3	127.8	3.4	110.1	D12 W14 F88 D89 C90	D12-R77 HydrophobicContact CB-CG 3.92Å; D12-R77 IonicContact OD2-CZ 3.52Å; D12-R77 IonicContact OD2-NH1 3.32Å; D12-R77 PolarHBondContact OD2-NH1 3.39Å; W14-R77 HydrophobicContact CE3-CB 4.02Å; W14-R77 HydrophobicContact CE3-CG 4.13Å; W14-R77 HydrophobicContact CH2-CB 4.03Å; W14-R77 VanDerWaalsContact CH2-CD 3.49Å; W14-R77 HydrophobicContact CH2-CG 3.57Å; W14-R77 HydrophobicContact CZ2-CG 4.04Å; W14-R77 HydrophobicContact CZ3-CB 3.56Å; W14-R77 HydrophobicContact CZ3-CG 3.61Å; R77-F88 CarbonylContact O-C 3.55Å; R77-F88 WeakPolarHBondContact O-CA 3.24Å; R77-D89 IonicContact NH2-OD2 2.79Å; R77-D89 PolarHBondContact NH2-OD2 2.79Å; R77-D89 PolarHBondContact O-N 2.92Å; R77-D89 VanDerWaalsContact O-N 3.09Å; R77-C90 HydrophobicContact CB-CB 4.18Å; R77-C90 PolarHBondContact N-O 2.69Å
78	S	88.1	Confident	80	Confident	7 Å²	7	72 Å²	72	5%	0.049	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	134.3	166.8	63	0	0	0	0	110.6	Y13 N15 Y87	Y13-S78 WeakPolarHBondContact CB-OG 3.41Å; Y13-S78 PolarHBondContact N-O 3.05Å; Y13-S78 VanDerWaalsContact N-O 3.12Å; Y13-S78 PolarHBondContact O-N 2.58Å; N15-S78 PolarHBondContact ND2-OG 2.88Å; S78-Y87 WeakPolarHBondContact CA-O 3.45Å; S78-Y87 VanDerWaalsContact CB-O 3.32Å; S78-Y87 WeakPolarHBondContact CB-O 3.26Å
79	E	78.2	Confident	79.2	Confident	121 Å²	121	68.3 Å²	68.3	57%	0.565	33%	0.33	S	S	*	.			trans	-79.5	130.2	-173.6	-175.2	173.3	-169.8	0	0	114.1	G81 I85	E79-G81 PolarHBondContact O-N 3.25Å; E79-I85 WeakPolarHBondContact O-CB 3.32Å; E79-I85 VanDerWaalsContact O-CG1 3.23Å; E79-I85 WeakPolarHBondContact O-CG1 3.48Å; E79-I85 WeakPolarHBondContact O-CG2 3.28Å
80	G	65.6	Low	78.8	Confident	41 Å²	41	70.7 Å²	70.7	42%	0.423	35%	0.346	S	S	.	.			trans	-71.7	75.6	177.7	0	0	0	0	0	116
81	G	56.9	Low	78.6	Confident	42 Å²	42	74.5 Å²	74.5	43%	0.433	36%	0.356	S	S	.	.			trans	-75.4	151.3	175.4	0	0	0	0	0	115.1	E79 Y83 G84	E79-G81 PolarHBondContact O-N 3.25Å; G81-Y83 PolarHBondContact O-N 3.41Å; G81-G84 PolarHBondContact O-N 3.44Å; G81-G84 VanDerWaalsContact O-N 3.1Å
82	Y	50.1	Low	78.4	Confident	221 Å²	221	75.7 Å²	75.7	87%	0.867	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-12.9	-179.2	-159.3	-97.2	0	0	0	115.1
83	Y	55.8	Low	78.3	Confident	217 Å²	217	83.1 Å²	83.1	85%	0.851	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.1	10.5	-179	-69.7	-77.8	0	0	0	114.9	G81	G81-Y83 PolarHBondContact O-N 3.41Å
84	G	56.6	Low	78.2	Confident	42 Å²	42	84 Å²	84	43%	0.433	42%	0.416	S	S	.	.			trans	104.6	145.2	-177.5	0	0	0	0	0	113.1	G81	G81-G84 PolarHBondContact O-N 3.44Å; G81-G84 VanDerWaalsContact O-N 3.1Å
85	I	57.2	Low	78.2	Confident	40 Å²	40	86.3 Å²	86.3	21%	0.205	43%	0.434	C	S	.	.			trans	-100.5	128.3	-165.5	-47	174.8	0	0	0	108.7	Y13 E79	Y13-I85 HydrophobicContact CD1-CD1 3.85Å; Y13-I85 HydrophobicContact CD2-CD1 3.08Å; Y13-I85 HydrophobicContact CE1-CD1 3.84Å; Y13-I85 HydrophobicContact CE2-CD1 3.11Å; Y13-I85 HydrophobicContact CE2-CG1 4.43Å; Y13-I85 HydrophobicContact CG-CD1 3.48Å; Y13-I85 VanDerWaalsContact CG-CD1 3.48Å; Y13-I85 VanDerWaalsContact CZ-CD1 3.47Å; E79-I85 WeakPolarHBondContact O-CB 3.32Å; E79-I85 VanDerWaalsContact O-CG1 3.23Å; E79-I85 WeakPolarHBondContact O-CG1 3.48Å; E79-I85 WeakPolarHBondContact O-CG2 3.28Å
86	Y	61.6	Low	78.2	Confident	195 Å²	195	90.1 Å²	90.1	77%	0.765	46%	0.457	S	S	*	.			trans	-138.3	4.8	179.5	-64.1	-69	0	0	0	117.4
87	Y	67.6	Low	78.3	Confident	186 Å²	186	93.2 Å²	93.2	73%	0.729	47%	0.473	S	S	*	.			trans	-125.5	136.4	176.1	-57.3	-70.2	0	0	0	112.7	S78	S78-Y87 WeakPolarHBondContact CA-O 3.45Å; S78-Y87 VanDerWaalsContact CB-O 3.32Å; S78-Y87 WeakPolarHBondContact CB-O 3.26Å
88	F	77.4	Confident	78.5	Confident	78 Å²	78	97 Å²	97	34%	0.342	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	104.1	169.6	-66.4	-60.6	0	0	0	108.4	N15 Y27 A76 R77 W91	N15-F88 HydrophobicContact CB-CD1 4.3Å; N15-F88 HydrophobicContact CB-CE1 3.56Å; N15-F88 HydrophobicContact CB-CZ 4.33Å; Y27-F88 HydrophobicContact CD2-CZ 4.26Å; Y27-F88 HydrophobicContact CE2-CZ 4.19Å; A76-F88 HydrophobicContact CB-CB 4.37Å; A76-F88 HydrophobicContact CB-CD1 3.77Å; A76-F88 HydrophobicContact CB-CE1 4.38Å; A76-F88 HydrophobicContact CB-CG 4.22Å; R77-F88 CarbonylContact O-C 3.55Å; R77-F88 WeakPolarHBondContact O-CA 3.24Å; F88-W91 HydrophobicContact CB-CZ2 3.71Å; F88-W91 VanDerWaalsContact CB-NE1 3.26Å; F88-W91 HydrophobicContact CD2-CH2 4Å; F88-W91 AromaticContact CD2-CZ2 3.34Å; F88-W91 HydrophobicContact CD2-CZ2 3.34Å; F88-W91 HydrophobicContact CE2-CH2 4.27Å; F88-W91 HydrophobicContact CE2-CZ2 4.05Å; F88-W91 HydrophobicContact CG-CH2 4.41Å; F88-W91 AromaticContact CG-CZ2 3.64Å; F88-W91 HydrophobicContact CG-CZ2 3.64Å
89	D	78.1	Confident	78.8	Confident	74 Å²	74	98.3 Å²	98.3	40%	0.396	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-29.3	-172.3	-49.9	-36.1	0	0	0	112.3	R77	R77-D89 IonicContact NH2-OD2 2.79Å; R77-D89 PolarHBondContact NH2-OD2 2.79Å; R77-D89 PolarHBondContact O-N 2.92Å; R77-D89 VanDerWaalsContact O-N 3.09Å
90	C	86.6	Confident	79.5	Confident	50 Å²	50	97.5 Å²	97.5	34%	0.338	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	129.5	-175.7	-56.1	0	0	0	0	109.9	A76 R77	A76-C90 CarbonylContact C-O 3.57Å; A76-C90 WeakPolarHBondContact CA-O 3.23Å; R77-C90 HydrophobicContact CB-CB 4.18Å; R77-C90 PolarHBondContact N-O 2.69Å
91	W	93.4	Very high	80.5	Confident	113 Å²	113	103.9 Å²	103.9	43%	0.428	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.1	137.4	176.9	-69.6	78.5	0	0	0	110.2	T17 Y74 A76 F88	T17-W91 HydrophobicContact CG2-CH2 4.22Å; T17-W91 HydrophobicContact CG2-CZ3 4.3Å; Y74-W91 HydrophobicContact CD1-CE3 4.47Å; Y74-W91 HydrophobicContact CG-CE3 4.22Å; Y74-W91 HydrophobicContact CG-CZ3 4.36Å; A76-W91 HydrophobicContact CB-CD2 3.88Å; A76-W91 HydrophobicContact CB-CE3 3.95Å; A76-W91 HydrophobicContact CB-CG 4.33Å; A76-W91 HydrophobicContact CB-CZ3 4.28Å; F88-W91 HydrophobicContact CB-CZ2 3.71Å; F88-W91 VanDerWaalsContact CB-NE1 3.26Å; F88-W91 HydrophobicContact CD2-CH2 4Å; F88-W91 AromaticContact CD2-CZ2 3.34Å; F88-W91 HydrophobicContact CD2-CZ2 3.34Å; F88-W91 HydrophobicContact CE2-CH2 4.27Å; F88-W91 HydrophobicContact CE2-CZ2 4.05Å; F88-W91 HydrophobicContact CG-CH2 4.41Å; F88-W91 AromaticContact CG-CZ2 3.64Å; F88-W91 HydrophobicContact CG-CZ2 3.64Å
92	G	94.8	Very high	81.6	Confident	28 Å²	28	107 Å²	107	29%	0.289	56%	0.559	S	S	.	*			trans	-67.3	161	164.5	0	0	0	0	0	111	Y74 C75 G94	Y74-G92 WeakPolarHBondContact CD1-O 3.4Å; C75-G92 PolarHBondContact O-N 3.06Å; G92-G94 PolarHBondContact O-N 3.36Å
93	Q	95.4	Very high	83.3	Confident	185 Å²	185	100.9 Å²	100.9	86%	0.864	54%	0.543	S	S	*	.			trans	-61.6	-17.2	179.3	-64.8	-61.9	-41.5	0	0	113.6
94	G	96.4	Very high	84.8	Confident	33 Å²	33	94.5 Å²	94.5	34%	0.34	53%	0.525	S	S	.	.			trans	83.9	157.2	-176.1	0	0	0	0	0	112.3	Y73 Y74 G92	Y73-G94 CarbonylContact O-C 3.6Å; Y73-G94 WeakPolarHBondContact O-CA 3.46Å; Y74-G94 VanDerWaalsContact CD1-CA 3.48Å; G92-G94 PolarHBondContact O-N 3.36Å
95	T	97.6	Very high	86.5	Confident	95 Å²	95	97.6 Å²	97.6	58%	0.583	53%	0.531	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	130.1	172.7	-156.7	0	0	0	0	109.5	T72 Y73	T72-T95 CarbonylContact C-O 3.49Å; T72-T95 WeakPolarHBondContact CA-O 3.39Å; Y73-T95 PolarHBondContact N-O 2.77Å; Y73-T95 PolarHBondContact O-N 2.89Å
96	T	97.6	Very high	88.3	Confident	96 Å²	96	101.2 Å²	101.2	59%	0.589	55%	0.551	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83.9	125.5	177.5	-54.6	0	0	0	0	109.7	T72	T72-T96 PolarHBondContact OG1-OG1 3.13Å; T72-T96 VanDerWaalsContact OG1-OG1 3.09Å
97	L	95.9	Very high	90.1	Very high	67 Å²	67	94.9 Å²	94.9	35%	0.351	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	124.6	167.4	178.2	65.7	0	0	0	107.5	V65 T70 A71 Y73 V99	V65-L97 HydrophobicContact CG1-CD2 4.21Å; T70-L97 WeakPolarHBondContact CA-O 3.3Å; A71-L97 PolarHBondContact N-O 3.32Å; A71-L97 VanDerWaalsContact N-O 3.12Å; A71-L97 PolarHBondContact O-N 3.26Å; Y73-L97 HydrophobicContact CD2-CB 4.01Å; Y73-L97 HydrophobicContact CE2-CB 3.76Å; Y73-L97 HydrophobicContact CE2-CD2 4.01Å; L97-V99 HydrophobicContact CD1-CG2 4.49Å; L97-V99 HydrophobicContact CD2-CG2 4.27Å; L97-V99 HydrophobicContact CG-CG2 4.02Å
98	T	96.6	Very high	91.7	Very high	107 Å²	107	88.4 Å²	88.4	66%	0.656	52%	0.523	S	S	*	.			trans	-116.2	129.9	173.8	-57.6	0	0	0	0	108.8	T70	T70-T98 HydrophobicContact CG2-CG2 4.37Å
99	V	95.4	Very high	92.8	Very high	34 Å²	34	89.2 Å²	89.2	21%	0.206	54%	0.537	C	S	.	.			trans	-124.7	123	-177.5	-172.8	0	0	0	0	107.4	V65 T66 T70 L97	V65-V99 HydrophobicContact CG1-CB 4.43Å; V65-V99 HydrophobicContact CG1-CG1 4.21Å; V65-V99 HydrophobicContact CG1-CG2 3.44Å; V65-V99 VanDerWaalsContact CG1-CG2 3.44Å; T66-V99 WeakPolarHBondContact O-CB 3.44Å; T66-V99 WeakPolarHBondContact O-CG1 3.49Å; T70-V99 PolarHBondContact OG1-N 3.21Å; T70-V99 PolarHBondContact OG1-O 3.05Å; L97-V99 HydrophobicContact CD1-CG2 4.49Å; L97-V99 HydrophobicContact CD2-CG2 4.27Å; L97-V99 HydrophobicContact CG-CG2 4.02Å
100	S	92.5	Very high	94	Very high	104 Å²	104	90.5 Å²	90.5	73%	0.727	55%	0.549	S	S	*	.			trans	-117.7	153.2	176.4	56.9	0	0	0	0	110.1
101	S	86	Confident	94.7	Very high	174 Å²	174	94.2 Å²	94.2	100%	1.217	57%	0.568	S	S	*	*			trans	-73.2	0	172.7	57.9	0	0	0	0	112.7

Retrieved 101 of 101 residues in 20.7 ms (Link to these results)

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