X5J5D7_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5D7, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 116 aa.

						>X5J5D7_MOUSE|X5J5D7
LVKPSQTLSLTCSVSGDSITSGYWNWIRQFPGNKLEWMGYINYSGSTSYDPSLKSRISITRDTSKNQFFLQLNSVTPEDTGTYYCARDYYGSSYFDYWGQGTTLTVSSAKTTPPSV
					

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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	L	80.6	Confident	92.3	Very high	117 Å²	117	70.8 Å²	70.8	61%	0.613	40%	0.403	S	S	*	.				0	122.1	0	-179.1	66	0	0	0	108.1	T105 T111	L1-T105 CarbonylContact C-O 3.58Å; L1-T105 VanDerWaalsContact CA-O 3.32Å; L1-T105 WeakPolarHBondContact CA-O 3.41Å; L1-T105 HydrophobicContact CD1-CG2 4.37Å; L1-T111 HydrophobicContact CD2-CG2 3.51Å
2	V	86.9	Confident	92.5	Very high	23 Å²	23	65.6 Å²	65.6	14%	0.139	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-117.2	143.5	178.2	-174.4	0	0	0	0	108.2	Q6 L8 V75 T105 V106 S107	V2-Q6 HydrophobicContact CG1-CB 3.89Å; V2-L8 HydrophobicContact CG2-CD1 4.44Å; V2-V75 HydrophobicContact CG1-CG2 3.79Å; V2-T105 PolarHBondContact N-O 3.37Å; V2-V106 HydrophobicContact CB-CG2 4.45Å; V2-V106 VanDerWaalsContact O-CA 3.26Å; V2-V106 WeakPolarHBondContact O-CA 3.3Å; V2-S107 PolarHBondContact O-N 3.44Å; V2-S107 VanDerWaalsContact O-N 3.09Å
3	K	91.2	Very high	92.5	Very high	137 Å²	137	66.3 Å²	66.3	60%	0.596	39%	0.386	S	S	*	.			trans	-85	152	176.7	-66.3	-178.7	-179.1	177.7	0	110.3	Q6 V75	K3-Q6 HydrophobicContact CB-CG 4.15Å; K3-Q6 WeakPolarHBondContact O-CB 3.36Å; K3-Q6 WeakPolarHBondContact O-CG 3.5Å; K3-Q6 PolarHBondContact O-N 3.4Å; K3-V75 WeakPolarHBondContact O-CG2 3.24Å
4	P	94.1	Very high	92.4	Very high	48 Å²	48	62.4 Å²	62.4	31%	0.312	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	151.9	172.9	-25.7	34.7	0	0	0	112.7	Q6 V75 V106	P4-Q6 PolarHBondContact O-N 3.04Å; P4-Q6 VanDerWaalsContact O-N 3.13Å; P4-V75 CarbonylContact C-O 3.53Å; P4-V75 VanDerWaalsContact CA-O 3.31Å; P4-V75 WeakPolarHBondContact CA-O 3.42Å; P4-V106 HydrophobicContact CG-CG1 4.25Å
5	S	93.3	Very high	92.1	Very high	99 Å²	99	64.8 Å²	64.8	69%	0.692	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	-0.2	-178.9	-51.4	0	0	0	0	115.8	V75	S5-V75 PolarHBondContact N-O 3.21Å
6	Q	93.6	Very high	91.8	Very high	95 Å²	95	66.4 Å²	66.4	44%	0.444	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-77.8	166.2	172.3	-64.6	-170	-49.1	0	0	111.6	V2 K3 P4 S74 V75	V2-Q6 HydrophobicContact CG1-CB 3.89Å; K3-Q6 HydrophobicContact CB-CG 4.15Å; K3-Q6 WeakPolarHBondContact O-CB 3.36Å; K3-Q6 WeakPolarHBondContact O-CG 3.5Å; K3-Q6 PolarHBondContact O-N 3.4Å; P4-Q6 PolarHBondContact O-N 3.04Å; P4-Q6 VanDerWaalsContact O-N 3.13Å; Q6-S74 PolarHBondContact O-N 2.87Å; Q6-V75 WeakPolarHBondContact O-CG2 3.27Å; Q6-V75 PolarHBondContact O-N 2.82Å
7	T	94.9	Very high	91.4	Very high	73 Å²	73	64.7 Å²	64.7	45%	0.448	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-94.5	128.2	169.3	-64.6	0	0	0	0	109.5	Q71 L72 N73	T7-Q71 HydrophobicContact CG2-CG 3.44Å; T7-Q71 VanDerWaalsContact CG2-CG 3.44Å; T7-L72 WeakPolarHBondContact CA-O 3.33Å; T7-N73 WeakPolarHBondContact CG2-OD1 3.27Å; T7-N73 PolarHBondContact OG1-OD1 2.85Å
8	L	93.8	Very high	91.2	Very high	15 Å²	15	63.5 Å²	63.5	8%	0.079	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.8	168.3	171.5	64.7	0	0	0	109.3	V2 L10 Q71 L72 V75 Y83 L104	V2-L8 HydrophobicContact CG2-CD1 4.44Å; L8-L10 HydrophobicContact CD1-CD2 4.34Å; L8-L10 HydrophobicContact CD1-CG 4.17Å; L8-L10 HydrophobicContact CD2-CD1 4.12Å; L8-L10 HydrophobicContact CD2-CG 4.29Å; L8-L10 HydrophobicContact CG-CG 4.16Å; L8-Q71 CarbonylContact O-C 3.47Å; L8-Q71 WeakPolarHBondContact O-CA 3.17Å; L8-L72 HydrophobicContact CB-CB 4.37Å; L8-L72 PolarHBondContact N-O 3.25Å; L8-L72 PolarHBondContact O-N 3.45Å; L8-V75 HydrophobicContact CB-CG1 3.82Å; L8-Y83 HydrophobicContact CD2-CE1 4.38Å; L8-Y83 HydrophobicContact CD2-CE2 4.4Å; L8-L104 HydrophobicContact CD1-CD1 3.34Å; L8-L104 HydrophobicContact CD1-CD2 4.43Å; L8-L104 HydrophobicContact CD2-CD1 3.28Å; L8-L104 HydrophobicContact CG-CD1 3.88Å
9	S	95.6	Very high	91.2	Very high	82 Å²	82	60.3 Å²	60.3	57%	0.573	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	125	170.5	-171.4	0	0	0	0	109.2	L70	S9-L70 CarbonylContact C-O 3.44Å; S9-L70 WeakPolarHBondContact CA-O 3.14Å
10	L	95.8	Very high	91.1	Very high	16 Å²	16	60.7 Å²	60.7	8%	0.084	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	143.8	178.6	-73.5	176.1	0	0	0	110	L8 W26 F69 L70 Y83 T102 L104	L8-L10 HydrophobicContact CD1-CD2 4.34Å; L8-L10 HydrophobicContact CD1-CG 4.17Å; L8-L10 HydrophobicContact CD2-CD1 4.12Å; L8-L10 HydrophobicContact CD2-CG 4.29Å; L8-L10 HydrophobicContact CG-CG 4.16Å; L10-W26 HydrophobicContact CB-CH2 3.68Å; L10-W26 HydrophobicContact CB-CZ2 4.24Å; L10-W26 HydrophobicContact CB-CZ3 4.08Å; L10-W26 HydrophobicContact CD1-CZ3 4.09Å; L10-F69 CarbonylContact O-C 3.54Å; L10-F69 WeakPolarHBondContact O-CA 3.41Å; L10-L70 HydrophobicContact CB-CB 4.35Å; L10-L70 HydrophobicContact CD1-CD2 4.36Å; L10-L70 PolarHBondContact N-O 2.83Å; L10-L70 PolarHBondContact O-N 2.96Å; L10-Y83 VanDerWaalsContact CD1-CB 3.45Å; L10-Y83 HydrophobicContact CD1-CD1 3.74Å; L10-Y83 HydrophobicContact CD1-CD2 4.2Å; L10-Y83 HydrophobicContact CD1-CG 3.53Å; L10-T102 HydrophobicContact CD2-CG2 4.17Å; L10-L104 HydrophobicContact CD1-CD1 4.03Å; L10-L104 HydrophobicContact CD2-CD1 3.96Å; L10-L104 HydrophobicContact CG-CD1 4.25Å
11	T	95.8	Very high	90.7	Very high	74 Å²	74	60.3 Å²	60.3	45%	0.454	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.9	178.1	-56.6	0	0	0	0	109.1	Q67 F69	T11-Q67 HydrophobicContact CG2-CB 4.41Å; T11-Q67 HydrophobicContact CG2-CG 4.16Å; T11-F69 HydrophobicContact CG2-CD1 3.82Å; T11-F69 HydrophobicContact CG2-CE1 3.45Å; T11-F69 VanDerWaalsContact CG2-CE1 3.45Å; T11-F69 HydrophobicContact CG2-CZ 4.32Å; T11-F69 VanDerWaalsContact OG1-CD1 3.29Å; T11-F69 WeakPolarHBondContact OG1-CD1 3.41Å; T11-F69 WeakPolarHBondContact OG1-CE1 3.26Å
12	C	94.3	Very high	91	Very high	8 Å²	8	54.9 Å²	54.9	5%	0.054	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.8	164.7	-171.5	0	0	0	0	109.4	W26 Q67 F68 C85	C12-W26 HydrophobicContact CB-CH2 3.97Å; C12-W26 HydrophobicContact CB-CZ2 3.92Å; C12-Q67 VanDerWaalsContact O-CA 3.29Å; C12-Q67 WeakPolarHBondContact O-CA 3.2Å; C12-F68 HydrophobicContact CB-CD1 3.88Å; C12-F68 HydrophobicContact CB-CE1 3.46Å; C12-F68 VanDerWaalsContact CB-CE1 3.46Å; C12-F68 HydrophobicContact CB-CE2 4.17Å; C12-F68 HydrophobicContact CB-CG 4.41Å; C12-F68 HydrophobicContact CB-CZ 3.65Å; C12-F68 PolarHBondContact N-O 3.18Å; C12-F68 PolarHBondContact O-N 2.84Å; C12-F68 VanDerWaalsContact SG-CE1 3.52Å; C12-C85 HydrophobicContact CB-CB 3.55Å; C12-C85 WeakPolarHBondContact CB-SG 3.49Å; C12-C85 WeakPolarHBondContact SG-CB 3.19Å; C12-C85 CovalentContact SG-SG 2.04Å; C12-C85 PolarHBondContact SG-SG 2.96Å
13	S	93.4	Very high	91.2	Very high	75 Å²	75	55.4 Å²	55.4	52%	0.524	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.9	174.9	-57	0	0	0	0	109	Q67	S13-Q67 WeakPolarHBondContact OG-CG 2.92Å; S13-Q67 PolarHBondContact OG-NE2 3.07Å
14	V	90.3	Very high	91.2	Very high	12 Å²	12	49 Å²	49	7%	0.073	33%	0.325	C	S	.	.			trans	-96.7	131.4	-177.7	177.9	0	0	0	0	109.2	D17 I19 W24 N66 F68 W98	V14-D17 HydrophobicContact CG1-CB 4.04Å; V14-I19 HydrophobicContact CB-CG2 3.99Å; V14-I19 HydrophobicContact CG2-CG2 3.62Å; V14-W24 HydrophobicContact CB-CH2 4.16Å; V14-W24 HydrophobicContact CG1-CH2 3.47Å; V14-W24 VanDerWaalsContact CG1-CH2 3.47Å; V14-W24 HydrophobicContact CG1-CZ2 3.87Å; V14-W24 HydrophobicContact CG1-CZ3 4.29Å; V14-W24 HydrophobicContact CG2-CD2 4.48Å; V14-W24 HydrophobicContact CG2-CE3 4.03Å; V14-W24 HydrophobicContact CG2-CH2 3.52Å; V14-W24 HydrophobicContact CG2-CZ2 4.03Å; V14-W24 HydrophobicContact CG2-CZ3 3.52Å; V14-N66 PolarHBondContact N-O 2.93Å; V14-N66 PolarHBondContact O-ND2 3.37Å; V14-F68 HydrophobicContact CG2-CD1 4.32Å; V14-F68 HydrophobicContact CG2-CE1 4.03Å; V14-W98 HydrophobicContact CG1-CE3 3.96Å; V14-W98 HydrophobicContact CG1-CH2 4.46Å; V14-W98 HydrophobicContact CG1-CZ3 3.74Å
15	S	88.8	Confident	91.2	Very high	98 Å²	98	46.9 Å²	46.9	69%	0.685	31%	0.311	S	S	*	.			trans	-126.8	130.1	178.1	60.3	0	0	0	0	110.6	W98	S15-W98 WeakPolarHBondContact O-CZ3 3.18Å
16	G	86.4	Confident	91.3	Very high	90 Å²	90	42.5 Å²	42.5	93%	0.928	28%	0.28	S	S	*	.	S	Bend	trans	87.4	3.7	-179.5	0	0	0	0	0	114.8
17	D	85.5	Confident	91.4	Very high	38 Å²	38	38.3 Å²	38.3	20%	0.203	26%	0.26	C	S	.	.	S	Bend	trans	-154.5	173.4	177.1	-177.6	28.5	0	0	0	109.6	V14 S21 W24 N66 R87 W98	V14-D17 HydrophobicContact CG1-CB 4.04Å; D17-S21 PolarHBondContact OD1-OG 3.1Å; D17-W24 WeakPolarHBondContact OD2-CZ2 3.27Å; D17-N66 PolarHBondContact O-ND2 2.99Å; D17-R87 VanDerWaalsContact CG-CZ 3.47Å; D17-R87 IonicContact OD1-CZ 3.69Å; D17-R87 IonicContact OD1-NH1 3.72Å; D17-R87 PolarHBondContact OD1-NH1 3.31Å; D17-R87 IonicContact OD1-NH2 2.89Å; D17-R87 PolarHBondContact OD1-NH2 2.94Å; D17-R87 VanDerWaalsContact OD2-CD 3.31Å; D17-R87 WeakPolarHBondContact OD2-CD 3.31Å; D17-R87 IonicContact OD2-CZ 3.49Å; D17-R87 IonicContact OD2-NE 3.71Å; D17-R87 PolarHBondContact OD2-NE 3.11Å; D17-R87 VanDerWaalsContact OD2-NE 3.12Å; D17-R87 IonicContact OD2-NH1 3.4Å; D17-R87 PolarHBondContact OD2-NH1 2.8Å; D17-R87 IonicContact OD2-NH2 3.64Å; D17-R87 PolarHBondContact OD2-NH2 2.83Å; D17-W98 HydrophobicContact CB-CH2 3.39Å; D17-W98 HydrophobicContact CB-CZ2 4Å; D17-W98 HydrophobicContact CB-CZ3 4.05Å
18	S	88.4	Confident	91.4	Very high	43 Å²	43	35.2 Å²	35.2	30%	0.301	24%	0.24	S	C	.	.			trans	-115.5	135.2	-178.8	-178.5	0	0	0	0	112.9	T20 S21 N66	S18-T20 PolarHBondContact O-N 2.88Å; S18-T20 PolarHBondContact OG-N 2.79Å; S18-T20 PolarHBondContact OG-OG1 2.93Å; S18-S21 WeakPolarHBondContact O-CB 3.34Å; S18-S21 PolarHBondContact O-N 2.83Å; S18-S21 VanDerWaalsContact O-N 3.15Å; S18-S21 PolarHBondContact O-OG 2.77Å; S18-N66 WeakPolarHBondContact CA-OD1 3.38Å
19	I	89.8	Confident	91.5	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-13.1	173.2	67.8	171.7	0	0	0	113.8	V14 W24 R61 T63 N66 Q67 F68	V14-I19 HydrophobicContact CB-CG2 3.99Å; V14-I19 HydrophobicContact CG2-CG2 3.62Å; I19-W24 VanDerWaalsContact CA-NE1 3.28Å; I19-W24 PolarHBondContact O-NE1 2.88Å; I19-R61 HydrophobicContact CD1-CB 3.92Å; I19-T63 HydrophobicContact CD1-CG2 4.07Å; I19-T63 HydrophobicContact CG1-CG2 4.26Å; I19-N66 WeakPolarHBondContact CG2-OD1 3.16Å; I19-N66 PolarHBondContact N-OD1 3.11Å; I19-Q67 WeakPolarHBondContact CD1-O 3.39Å; I19-F68 HydrophobicContact CG2-CD1 4.16Å
20	T	89.1	Confident	91.5	Very high	69 Å²	69	34.4 Å²	34.4	42%	0.423	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	8.5	179	63.2	0	0	0	0	113.7	S18 Y43 T63	S18-T20 PolarHBondContact O-N 2.88Å; S18-T20 PolarHBondContact OG-N 2.79Å; S18-T20 PolarHBondContact OG-OG1 2.93Å; T20-Y43 WeakPolarHBondContact O-CB 3.42Å; T20-T63 HydrophobicContact CG2-CG2 3.56Å
21	S	83.4	Confident	91.2	Very high	52 Å²	52	38.5 Å²	38.5	36%	0.364	25%	0.254	S	S	.	.	S	Bend	trans	-109.4	-0.1	-172.9	69.9	0	0	0	0	115	D17 S18 R87	D17-S21 PolarHBondContact OD1-OG 3.1Å; S18-S21 WeakPolarHBondContact O-CB 3.34Å; S18-S21 PolarHBondContact O-N 2.83Å; S18-S21 VanDerWaalsContact O-N 3.15Å; S18-S21 PolarHBondContact O-OG 2.77Å; S21-R87 PolarHBondContact OG-NH2 3.02Å
22	G	86.1	Confident	91	Very high	4 Å²	4	38.4 Å²	38.4	4%	0.041	27%	0.268	C	S	.	.	S	Bend	trans	-174	-152	-174.2	0	0	0	0	0	114.6	N42 Y43	G22-N42 CarbonylContact O-C 3.58Å; G22-Y43 PolarHBondContact O-N 2.87Å
23	Y	90.8	Very high	90.7	Very high	34 Å²	34	44 Å²	44	13%	0.133	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.2	178.2	-65	-103.3	0	0	0	109.5	N25 Y40 N42 R87 D88 Y90	Y23-N25 PolarHBondContact O-ND2 3.05Å; Y23-Y40 AromaticContact CD1-CD2 3.74Å; Y23-Y40 HydrophobicContact CD1-CD2 3.74Å; Y23-Y40 AromaticContact CD1-CE2 3.73Å; Y23-Y40 HydrophobicContact CD1-CE2 3.73Å; Y23-Y40 HydrophobicContact CD1-CG 4.22Å; Y23-Y40 HydrophobicContact CE1-CD2 4.37Å; Y23-Y40 AromaticContact CE1-CE2 3.89Å; Y23-Y40 HydrophobicContact CE1-CE2 3.89Å; Y23-N42 HydrophobicContact CD1-CB 3.59Å; Y23-N42 HydrophobicContact CE1-CB 3.5Å; Y23-N42 VanDerWaalsContact CE1-CB 3.5Å; Y23-N42 HydrophobicContact CG-CB 4.28Å; Y23-R87 WeakPolarHBondContact O-CA 3.48Å; Y23-D88 PolarHBondContact N-O 3.31Å; Y23-D88 VanDerWaalsContact N-O 3.11Å; Y23-D88 PolarHBondContact O-N 2.75Å; Y23-Y90 AromaticContact CE2-CD2 3.8Å; Y23-Y90 HydrophobicContact CE2-CD2 3.8Å; Y23-Y90 HydrophobicContact CE2-CG 4.43Å; Y23-Y90 AromaticContact CZ-CD2 3.81Å; Y23-Y90 VanDerWaalsContact OH-CD2 3.27Å; Y23-Y90 WeakPolarHBondContact OH-CD2 3.47Å
24	W	92.5	Very high	90.7	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.5	179.7	-68.5	89.7	0	0	0	109.5	V14 D17 I19 Y40 I41 F68 R87 W98	V14-W24 HydrophobicContact CB-CH2 4.16Å; V14-W24 HydrophobicContact CG1-CH2 3.47Å; V14-W24 VanDerWaalsContact CG1-CH2 3.47Å; V14-W24 HydrophobicContact CG1-CZ2 3.87Å; V14-W24 HydrophobicContact CG1-CZ3 4.29Å; V14-W24 HydrophobicContact CG2-CD2 4.48Å; V14-W24 HydrophobicContact CG2-CE3 4.03Å; V14-W24 HydrophobicContact CG2-CH2 3.52Å; V14-W24 HydrophobicContact CG2-CZ2 4.03Å; V14-W24 HydrophobicContact CG2-CZ3 3.52Å; D17-W24 WeakPolarHBondContact OD2-CZ2 3.27Å; I19-W24 VanDerWaalsContact CA-NE1 3.28Å; I19-W24 PolarHBondContact O-NE1 2.88Å; W24-Y40 CarbonylContact O-C 3.54Å; W24-Y40 WeakPolarHBondContact O-CA 3.39Å; W24-Y40 WeakPolarHBondContact O-CB 3.3Å; W24-I41 HydrophobicContact CB-CG2 4.23Å; W24-I41 PolarHBondContact N-O 3.02Å; W24-I41 PolarHBondContact O-N 3.02Å; W24-F68 HydrophobicContact CB-CD1 4.18Å; W24-F68 HydrophobicContact CB-CD2 4.19Å; W24-F68 HydrophobicContact CB-CE1 3.95Å; W24-F68 HydrophobicContact CB-CE2 3.97Å; W24-F68 HydrophobicContact CB-CG 4.28Å; W24-F68 HydrophobicContact CB-CZ 3.8Å; W24-F68 HydrophobicContact CD2-CD1 4.42Å; W24-F68 AromaticContact CD2-CE1 3.89Å; W24-F68 HydrophobicContact CD2-CE1 3.89Å; W24-F68 HydrophobicContact CD2-CZ 4.34Å; W24-F68 HydrophobicContact CE3-CD1 4.36Å; W24-F68 AromaticContact CE3-CE1 3.43Å; W24-F68 HydrophobicContact CE3-CE1 3.43Å; W24-F68 VanDerWaalsContact CE3-CE1 3.43Å; W24-F68 AromaticContact CE3-CZ 3.78Å; W24-F68 HydrophobicContact CE3-CZ 3.78Å; W24-F68 HydrophobicContact CG-CD1 4.36Å; W24-F68 HydrophobicContact CG-CE1 4.12Å; W24-F68 HydrophobicContact CG-CZ 4.4Å; W24-F68 HydrophobicContact CZ3-CE1 4.22Å; W24-R87 HydrophobicContact CD2-CB 4.48Å; W24-R87 HydrophobicContact CD2-CG 4.38Å; W24-R87 HydrophobicContact CE3-CB 4.07Å; W24-R87 HydrophobicContact CE3-CG 4.44Å; W24-R87 HydrophobicContact CH2-CB 4.02Å; W24-R87 HydrophobicContact CH2-CG 4.09Å; W24-R87 HydrophobicContact CZ2-CB 4.4Å; W24-R87 HydrophobicContact CZ2-CG 3.99Å; W24-R87 HydrophobicContact CZ3-CB 3.83Å; W24-R87 HydrophobicContact CZ3-CG 4.31Å; W24-W98 AromaticContact CH2-CD2 3.78Å; W24-W98 HydrophobicContact CH2-CD2 3.78Å; W24-W98 AromaticContact CH2-CE2 4Å; W24-W98 HydrophobicContact CH2-CE3 4.05Å; W24-W98 HydrophobicContact CH2-CG 4.08Å; W24-W98 HydrophobicContact CH2-CZ2 4.48Å; W24-W98 HydrophobicContact CZ3-CB 3.98Å; W24-W98 AromaticContact CZ3-CD2 3.85Å; W24-W98 HydrophobicContact CZ3-CD2 3.85Å; W24-W98 HydrophobicContact CZ3-CE3 4.3Å; W24-W98 AromaticContact CZ3-CG 3.66Å; W24-W98 HydrophobicContact CZ3-CG 3.66Å
25	N	93.8	Very high	90.8	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	147.5	-166.7	-63.2	-92.1	0	0	0	110.1	Y23 W37 G39 Y40 C85 A86 F95	Y23-N25 PolarHBondContact O-ND2 3.05Å; N25-W37 PolarHBondContact OD1-NE1 3.09Å; N25-G39 WeakPolarHBondContact CA-O 3.31Å; N25-Y40 VanDerWaalsContact OD1-CB 3.32Å; N25-Y40 WeakPolarHBondContact OD1-CB 3.4Å; N25-C85 WeakPolarHBondContact O-CA 3.3Å; N25-A86 HydrophobicContact CB-CB 4.32Å; N25-A86 PolarHBondContact N-O 3.03Å; N25-A86 PolarHBondContact O-N 3.08Å; N25-F95 HydrophobicContact CB-CD1 4.42Å; N25-F95 HydrophobicContact CB-CE1 4.13Å; N25-F95 VanDerWaalsContact CG-CE1 3.43Å; N25-F95 WeakPolarHBondContact ND2-CE1 3.29Å
26	W	95.3	Very high	91.1	Very high	7 Å²	7	47.5 Å²	47.5	3%	0.027	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.8	164.5	-77.5	100.7	0	0	0	109.5	L10 C12 M38 G39 F68 L70	L10-W26 HydrophobicContact CB-CH2 3.68Å; L10-W26 HydrophobicContact CB-CZ2 4.24Å; L10-W26 HydrophobicContact CB-CZ3 4.08Å; L10-W26 HydrophobicContact CD1-CZ3 4.09Å; C12-W26 HydrophobicContact CB-CH2 3.97Å; C12-W26 HydrophobicContact CB-CZ2 3.92Å; W26-M38 HydrophobicContact CB-CB 4.19Å; W26-M38 WeakPolarHBondContact O-CB 3.42Å; W26-M38 PolarHBondContact O-N 2.82Å; W26-G39 PolarHBondContact N-O 3.42Å; W26-F68 AromaticContact CD1-CE2 3.78Å; W26-F68 HydrophobicContact CD2-CE2 4.29Å; W26-F68 AromaticContact CE2-CD2 3.9Å; W26-F68 AromaticContact CE2-CE2 3.62Å; W26-F68 HydrophobicContact CG-CE2 4.39Å; W26-F68 HydrophobicContact CZ2-CD2 4.25Å; W26-F68 HydrophobicContact CZ2-CE2 4.07Å; W26-F68 AromaticContact NE1-CD2 3.27Å; W26-F68 VanDerWaalsContact NE1-CD2 3.27Å; W26-F68 AromaticContact NE1-CE2 3.27Å; W26-F68 VanDerWaalsContact NE1-CE2 3.27Å; W26-L70 HydrophobicContact CB-CD2 4.18Å; W26-L70 HydrophobicContact CD2-CB 3.65Å; W26-L70 HydrophobicContact CD2-CD2 3.97Å; W26-L70 HydrophobicContact CD2-CG 4.39Å; W26-L70 VanDerWaalsContact CE2-CB 3.43Å; W26-L70 HydrophobicContact CE3-CB 4.31Å; W26-L70 HydrophobicContact CE3-CD2 4.1Å; W26-L70 HydrophobicContact CG-CB 3.85Å; W26-L70 HydrophobicContact CG-CD1 4.43Å; W26-L70 HydrophobicContact CG-CD2 4.01Å; W26-L70 HydrophobicContact CG-CG 4.33Å; W26-L70 HydrophobicContact CZ2-CB 3.92Å
27	I	95	Very high	91.5	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.036	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.8	178.9	-58	173.8	0	0	0	108	L35 E36 Y83 Y84 A86 F95 Y97	I27-L35 HydrophobicContact CG2-CB 4.33Å; I27-L35 HydrophobicContact CG2-CD2 4.02Å; I27-E36 CarbonylContact C-O 3.6Å; I27-E36 WeakPolarHBondContact CA-O 3.32Å; I27-Y83 WeakPolarHBondContact O-CA 3.29Å; I27-Y84 PolarHBondContact N-O 3.23Å; I27-Y84 PolarHBondContact O-N 2.79Å; I27-A86 HydrophobicContact CD1-CB 3.82Å; I27-F95 HydrophobicContact CD1-CB 4.48Å; I27-F95 HydrophobicContact CD1-CD2 4.02Å; I27-F95 HydrophobicContact CD1-CE2 4.45Å; I27-F95 HydrophobicContact CD1-CG 4.12Å; I27-Y97 HydrophobicContact CD1-CE1 4.2Å
28	R	95.5	Very high	92	Very high	8 Å²	8	45 Å²	45	3%	0.03	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	132.2	171.8	178	167.3	65	-177.2	10.7	109.9	L35 E36 M38 D79 T82 Y83	R28-L35 CarbonylContact O-C 3.45Å; R28-L35 WeakPolarHBondContact O-CA 3.44Å; R28-E36 IonicContact CZ-OE2 3.38Å; R28-E36 PolarHBondContact N-O 3.49Å; R28-E36 IonicContact NE-OE2 2.8Å; R28-E36 PolarHBondContact NE-OE2 3.4Å; R28-E36 IonicContact NH2-OE1 3.25Å; R28-E36 PolarHBondContact NH2-OE1 2.89Å; R28-E36 IonicContact NH2-OE2 3.5Å; R28-E36 PolarHBondContact NH2-OE2 3.49Å; R28-E36 PolarHBondContact O-N 3.38Å; R28-M38 HydrophobicContact CB-CG 4.14Å; R28-M38 HydrophobicContact CB-SD 3.86Å; R28-D79 IonicContact CZ-OD1 2.8Å; R28-D79 VanDerWaalsContact NH1-CA 3.25Å; R28-D79 IonicContact NH1-OD1 2.63Å; R28-D79 PolarHBondContact NH1-OD1 2.8Å; R28-D79 IonicContact NH2-OD1 3Å; R28-T82 CarbonylContact C-O 3.57Å; R28-Y83 HydrophobicContact CB-CD1 4.34Å; R28-Y83 HydrophobicContact CB-CE1 4.24Å; R28-Y83 WeakPolarHBondContact CD-OH 3.25Å; R28-Y83 HydrophobicContact CG-CE1 4.2Å; R28-Y83 HydrophobicContact CG-CE2 4.45Å; R28-Y83 PolarHBondContact NH1-OH 2.63Å
29	Q	95.7	Very high	92.4	Very high	39 Å²	39	42.9 Å²	42.9	18%	0.182	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119	169.7	-171.7	178.2	34.9	0	0	109.3	N33 K34 L35 G81 T82 Y84	Q29-N33 PolarHBondContact NE2-OD1 2.91Å; Q29-K34 CarbonylContact C-O 3.57Å; Q29-K34 WeakPolarHBondContact CA-O 3.49Å; Q29-L35 HydrophobicContact CB-CD2 3.65Å; Q29-L35 HydrophobicContact CG-CD2 3.74Å; Q29-G81 CarbonylContact O-C 3.48Å; Q29-G81 WeakPolarHBondContact O-CA 3.38Å; Q29-T82 PolarHBondContact N-O 3.19Å; Q29-T82 PolarHBondContact O-N 2.95Å; Q29-Y84 HydrophobicContact CB-CD2 4.28Å; Q29-Y84 HydrophobicContact CB-CE2 3.63Å; Q29-Y84 PolarHBondContact OE1-OH 3.12Å
30	F	94.8	Very high	92.6	Very high	41 Å²	41	46 Å²	46	18%	0.18	25%	0.251	C	S	.	.			trans	-77.2	158.9	175.2	-64.7	-83.4	0	0	0	111.4	G32 N33 K34 E36 E78	F30-G32 PolarHBondContact O-N 2.59Å; F30-N33 PolarHBondContact O-N 3.32Å; F30-K34 HydrophobicContact CB-CB 4.38Å; F30-K34 HydrophobicContact CD2-CB 4.23Å; F30-K34 HydrophobicContact CD2-CD 4.23Å; F30-K34 HydrophobicContact CD2-CG 4.24Å; F30-K34 PolarHBondContact N-O 2.71Å; F30-E36 HydrophobicContact CE2-CB 3.7Å; F30-E36 HydrophobicContact CE2-CG 4.46Å; F30-E36 HydrophobicContact CZ-CB 4.45Å; F30-E78 VanDerWaalsContact CE1-O 3.3Å; F30-E78 WeakPolarHBondContact CE1-O 3.44Å
31	P	90.5	Very high	92.9	Very high	102 Å²	102	43 Å²	43	66%	0.662	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.8	128	161.3	-23.7	34	0	0	0	110	T80	P31-T80 WeakPolarHBondContact CD-O 3.43Å; P31-T80 HydrophobicContact CG-CG2 4.47Å
32	G	91.5	Very high	93.3	Very high	72 Å²	72	41.3 Å²	41.3	74%	0.742	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.7	13.9	-171.9	0	0	0	0	0	115	F30 K34	F30-G32 PolarHBondContact O-N 2.59Å; G32-K34 PolarHBondContact O-N 3.31Å
33	N	88.3	Confident	93.5	Very high	125 Å²	125	47.2 Å²	47.2	67%	0.668	24%	0.241	S	C	*	.	S	Bend	trans	66.6	11.5	170.1	-58	-42	0	0	0	116.3	Q29 F30 L35	Q29-N33 PolarHBondContact NE2-OD1 2.91Å; F30-N33 PolarHBondContact O-N 3.32Å; N33-L35 PolarHBondContact O-N 3.16Å
34	K	93.3	Very high	93.5	Very high	144 Å²	144	48.8 Å²	48.8	63%	0.626	26%	0.257	S	S	*	.			trans	-68.9	129.2	170.4	-177.7	-175	176.2	-169.5	0	109.6	Q29 F30 G32	Q29-K34 CarbonylContact C-O 3.57Å; Q29-K34 WeakPolarHBondContact CA-O 3.49Å; F30-K34 HydrophobicContact CB-CB 4.38Å; F30-K34 HydrophobicContact CD2-CB 4.23Å; F30-K34 HydrophobicContact CD2-CD 4.23Å; F30-K34 HydrophobicContact CD2-CG 4.24Å; F30-K34 PolarHBondContact N-O 2.71Å; G32-K34 PolarHBondContact O-N 3.31Å
35	L	93.1	Very high	93.5	Very high	81 Å²	81	50.1 Å²	50.1	42%	0.424	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	145.6	174.7	-62.9	173.8	0	0	0	111	I27 R28 Q29 N33	I27-L35 HydrophobicContact CG2-CB 4.33Å; I27-L35 HydrophobicContact CG2-CD2 4.02Å; R28-L35 CarbonylContact O-C 3.45Å; R28-L35 WeakPolarHBondContact O-CA 3.44Å; Q29-L35 HydrophobicContact CB-CD2 3.65Å; Q29-L35 HydrophobicContact CG-CD2 3.74Å; N33-L35 PolarHBondContact O-N 3.16Å
36	E	94.9	Very high	93.5	Very high	34 Å²	34	53 Å²	53	16%	0.159	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	122	172.9	176	-171.7	-108.4	0	0	108.6	I27 R28 F30	I27-E36 CarbonylContact C-O 3.6Å; I27-E36 WeakPolarHBondContact CA-O 3.32Å; R28-E36 IonicContact CZ-OE2 3.38Å; R28-E36 PolarHBondContact N-O 3.49Å; R28-E36 IonicContact NE-OE2 2.8Å; R28-E36 PolarHBondContact NE-OE2 3.4Å; R28-E36 IonicContact NH2-OE1 3.25Å; R28-E36 PolarHBondContact NH2-OE1 2.89Å; R28-E36 IonicContact NH2-OE2 3.5Å; R28-E36 PolarHBondContact NH2-OE2 3.49Å; R28-E36 PolarHBondContact O-N 3.38Å; F30-E36 HydrophobicContact CE2-CB 3.7Å; F30-E36 HydrophobicContact CE2-CG 4.46Å; F30-E36 HydrophobicContact CZ-CB 4.45Å
37	W	94.6	Very high	93.5	Very high	75 Å²	75	55.3 Å²	55.3	28%	0.284	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	126.9	170.6	173.3	81.2	0	0	0	108.3	N25 Y40 D50	N25-W37 PolarHBondContact OD1-NE1 3.09Å; W37-Y40 HydrophobicContact CH2-CD1 4.43Å; W37-Y40 AromaticContact CZ2-CD1 3.57Å; W37-Y40 HydrophobicContact CZ2-CD1 3.57Å; W37-Y40 HydrophobicContact CZ2-CE1 4.27Å; W37-Y40 HydrophobicContact CZ2-CG 4.34Å; W37-D50 HydrophobicContact CE3-CB 4.19Å; W37-D50 HydrophobicContact CZ3-CB 4.28Å; W37-D50 WeakPolarHBondContact O-CB 3.4Å
38	M	96.1	Very high	93.6	Very high	0 Å²	0	57 Å²	57	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-37.6	-177.3	-58.2	-176.2	74.6	0	0	111.8	W26 R28 D50 L53 I57 L70 L72 Y83	W26-M38 HydrophobicContact CB-CB 4.19Å; W26-M38 WeakPolarHBondContact O-CB 3.42Å; W26-M38 PolarHBondContact O-N 2.82Å; R28-M38 HydrophobicContact CB-CG 4.14Å; R28-M38 HydrophobicContact CB-SD 3.86Å; M38-D50 PolarHBondContact O-N 2.84Å; M38-L53 HydrophobicContact CB-CD1 4Å; M38-L53 HydrophobicContact CE-CD1 3.91Å; M38-L53 HydrophobicContact CG-CD1 3.89Å; M38-I57 HydrophobicContact CB-CD1 4.47Å; M38-I57 HydrophobicContact CE-CG2 4.11Å; M38-I57 WeakPolarHBondContact O-CD1 3.11Å; M38-L70 HydrophobicContact CE-CD1 4.45Å; M38-L70 HydrophobicContact CE-CD2 3.84Å; M38-L70 HydrophobicContact SD-CD2 3.69Å; M38-L72 HydrophobicContact CE-CD2 4.35Å; M38-Y83 HydrophobicContact CE-CE1 3.88Å; M38-Y83 HydrophobicContact SD-CD1 3.74Å; M38-Y83 HydrophobicContact SD-CE1 3.63Å
39	G	95.6	Very high	93.6	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165	172.2	-174.4	0	0	0	0	0	112.2	N25 W26 S48 I59	N25-G39 WeakPolarHBondContact CA-O 3.31Å; W26-G39 PolarHBondContact N-O 3.42Å; G39-S48 CarbonylContact C-O 3.55Å; G39-S48 WeakPolarHBondContact CA-O 3.43Å; G39-I59 VanDerWaalsContact C-CD1 3.43Å
40	Y	94.7	Very high	93.6	Very high	66 Å²	66	58.9 Å²	58.9	26%	0.259	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	161.6	172.2	73.6	-113.4	0	0	0	112.7	Y23 W24 N25 W37 N42 T47 S48	Y23-Y40 AromaticContact CD1-CD2 3.74Å; Y23-Y40 HydrophobicContact CD1-CD2 3.74Å; Y23-Y40 AromaticContact CD1-CE2 3.73Å; Y23-Y40 HydrophobicContact CD1-CE2 3.73Å; Y23-Y40 HydrophobicContact CD1-CG 4.22Å; Y23-Y40 HydrophobicContact CE1-CD2 4.37Å; Y23-Y40 AromaticContact CE1-CE2 3.89Å; Y23-Y40 HydrophobicContact CE1-CE2 3.89Å; W24-Y40 CarbonylContact O-C 3.54Å; W24-Y40 WeakPolarHBondContact O-CA 3.39Å; W24-Y40 WeakPolarHBondContact O-CB 3.3Å; N25-Y40 VanDerWaalsContact OD1-CB 3.32Å; N25-Y40 WeakPolarHBondContact OD1-CB 3.4Å; W37-Y40 HydrophobicContact CH2-CD1 4.43Å; W37-Y40 AromaticContact CZ2-CD1 3.57Å; W37-Y40 HydrophobicContact CZ2-CD1 3.57Å; W37-Y40 HydrophobicContact CZ2-CE1 4.27Å; W37-Y40 HydrophobicContact CZ2-CG 4.34Å; Y40-N42 HydrophobicContact CD2-CB 4.39Å; Y40-N42 HydrophobicContact CE2-CB 4.22Å; Y40-T47 VanDerWaalsContact O-CA 3.24Å; Y40-T47 WeakPolarHBondContact O-CA 3.49Å; Y40-S48 VanDerWaalsContact CE1-CB 3.41Å; Y40-S48 VanDerWaalsContact CZ-CB 3.43Å; Y40-S48 PolarHBondContact N-O 2.79Å; Y40-S48 PolarHBondContact O-N 2.58Å; Y40-S48 VanDerWaalsContact O-N 3.1Å
41	I	95.1	Very high	93.6	Very high	8 Å²	8	62.3 Å²	62.3	4%	0.041	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	130	160.1	-169.8	163	0	0	0	109.3	W24 S46 T47 I59 R61 F68	W24-I41 HydrophobicContact CB-CG2 4.23Å; W24-I41 PolarHBondContact N-O 3.02Å; W24-I41 PolarHBondContact O-N 3.02Å; I41-S46 WeakPolarHBondContact CA-O 3.44Å; I41-T47 HydrophobicContact CB-CG2 3.98Å; I41-T47 HydrophobicContact CD1-CG2 3.94Å; I41-T47 HydrophobicContact CG1-CG2 3.84Å; I41-I59 HydrophobicContact CB-CG2 3.74Å; I41-I59 HydrophobicContact CG2-CG2 3.7Å; I41-R61 HydrophobicContact CD1-CB 4.04Å; I41-R61 HydrophobicContact CD1-CG 3.78Å; I41-F68 HydrophobicContact CG2-CB 4.36Å; I41-F68 HydrophobicContact CG2-CD2 4.5Å
42	N	92.4	Very high	93.7	Very high	15 Å²	15	61.1 Å²	61.1	8%	0.08	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	177.1	-179.2	77.4	-1.8	0	0	0	112.1	G22 Y23 Y40 S44 G45 S46 R61	G22-N42 CarbonylContact O-C 3.58Å; Y23-N42 HydrophobicContact CD1-CB 3.59Å; Y23-N42 HydrophobicContact CE1-CB 3.5Å; Y23-N42 VanDerWaalsContact CE1-CB 3.5Å; Y23-N42 HydrophobicContact CG-CB 4.28Å; Y40-N42 HydrophobicContact CD2-CB 4.39Å; Y40-N42 HydrophobicContact CE2-CB 4.22Å; N42-S44 VanDerWaalsContact CG-OG 3.31Å; N42-S44 PolarHBondContact ND2-OG 3.43Å; N42-S44 PolarHBondContact O-N 2.97Å; N42-S44 WeakPolarHBondContact OD1-CA 3.31Å; N42-S44 PolarHBondContact OD1-N 3.03Å; N42-S44 PolarHBondContact OD1-OG 2.78Å; N42-G45 WeakPolarHBondContact O-CA 3.44Å; N42-G45 PolarHBondContact O-N 3.47Å; N42-G45 PolarHBondContact OD1-N 2.86Å; N42-S46 PolarHBondContact N-O 2.79Å; N42-S46 WeakPolarHBondContact OD1-CB 3.42Å; N42-S46 PolarHBondContact OD1-N 2.93Å; N42-S46 PolarHBondContact OD1-O 3.09Å; N42-R61 PolarHBondContact O-NH1 3.14Å
43	Y	89.4	Confident	93.9	Very high	128 Å²	128	57.8 Å²	57.8	50%	0.502	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-26	177.6	66.6	-89.1	0	0	0	114.7	T20 G22 G45 R61	T20-Y43 WeakPolarHBondContact O-CB 3.42Å; G22-Y43 PolarHBondContact O-N 2.87Å; Y43-G45 VanDerWaalsContact C-N 3.32Å; Y43-R61 VanDerWaalsContact O-CZ 3.24Å; Y43-R61 PolarHBondContact O-NH1 2.99Å; Y43-R61 PolarHBondContact O-NH2 3.03Å
44	S	91.3	Very high	94.1	Very high	68 Å²	68	58.7 Å²	58.7	48%	0.476	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-8	173	63	0	0	0	0	113.2	N42 S46 R61	N42-S44 VanDerWaalsContact CG-OG 3.31Å; N42-S44 PolarHBondContact ND2-OG 3.43Å; N42-S44 PolarHBondContact O-N 2.97Å; N42-S44 WeakPolarHBondContact OD1-CA 3.31Å; N42-S44 PolarHBondContact OD1-N 3.03Å; N42-S44 PolarHBondContact OD1-OG 2.78Å; S44-S46 PolarHBondContact OG-OG 3.13Å; S44-S46 VanDerWaalsContact OG-OG 3.11Å; S44-R61 VanDerWaalsContact C-NH2 3.26Å
45	G	92.3	Very high	94.2	Very high	29 Å²	29	57.1 Å²	57.1	30%	0.299	32%	0.319	S	S	.	.	S	Bend	trans	87.7	6.4	-177.3	0	0	0	0	0	113.6	N42 Y43 R61	N42-G45 WeakPolarHBondContact O-CA 3.44Å; N42-G45 PolarHBondContact O-N 3.47Å; N42-G45 PolarHBondContact OD1-N 2.86Å; Y43-G45 VanDerWaalsContact C-N 3.32Å; G45-R61 VanDerWaalsContact CA-CZ 3.5Å; G45-R61 VanDerWaalsContact N-CZ 3.35Å; G45-R61 VanDerWaalsContact N-NH2 3.16Å
46	S	94.3	Very high	94.3	Very high	65 Å²	65	55.9 Å²	55.9	46%	0.455	31%	0.308	S	S	.	.			trans	-73.8	137.7	173.8	-52.4	0	0	0	0	110.1	I41 N42 S44	I41-S46 WeakPolarHBondContact CA-O 3.44Å; N42-S46 PolarHBondContact N-O 2.79Å; N42-S46 WeakPolarHBondContact OD1-CB 3.42Å; N42-S46 PolarHBondContact OD1-N 2.93Å; N42-S46 PolarHBondContact OD1-O 3.09Å; S44-S46 PolarHBondContact OG-OG 3.13Å; S44-S46 VanDerWaalsContact OG-OG 3.11Å
47	T	95.9	Very high	94.4	Very high	55 Å²	55	54.8 Å²	54.8	34%	0.337	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	150.2	-177.7	54.5	0	0	0	0	112.3	Y40 I41 Y49 I59	Y40-T47 VanDerWaalsContact O-CA 3.24Å; Y40-T47 WeakPolarHBondContact O-CA 3.49Å; I41-T47 HydrophobicContact CB-CG2 3.98Å; I41-T47 HydrophobicContact CD1-CG2 3.94Å; I41-T47 HydrophobicContact CG1-CG2 3.84Å; T47-Y49 PolarHBondContact OG1-OH 2.91Å; T47-I59 HydrophobicContact CG2-CB 4.39Å
48	S	95.3	Very high	94.5	Very high	43 Å²	43	53 Å²	53	30%	0.301	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	151	166.4	-169.8	0	0	0	0	108.8	G39 Y40	G39-S48 CarbonylContact C-O 3.55Å; G39-S48 WeakPolarHBondContact CA-O 3.43Å; Y40-S48 VanDerWaalsContact CE1-CB 3.41Å; Y40-S48 VanDerWaalsContact CZ-CB 3.43Å; Y40-S48 PolarHBondContact N-O 2.79Å; Y40-S48 PolarHBondContact O-N 2.58Å; Y40-S48 VanDerWaalsContact O-N 3.1Å
49	Y	96.3	Very high	94.6	Very high	48 Å²	48	53.2 Å²	53.2	19%	0.188	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	150.6	-169.5	-59	-54	0	0	0	110.2	T47 K54 I57 I59	T47-Y49 PolarHBondContact OG1-OH 2.91Å; Y49-K54 HydrophobicContact CD2-CG 4.09Å; Y49-I57 HydrophobicContact CD1-CD1 3.38Å; Y49-I57 HydrophobicContact CD1-CG1 3.62Å; Y49-I57 HydrophobicContact CE1-CD1 4.21Å; Y49-I57 HydrophobicContact CE1-CG1 4.13Å; Y49-I57 HydrophobicContact CG-CD1 3.91Å; Y49-I57 HydrophobicContact CG-CG1 4.01Å; Y49-I59 HydrophobicContact CD1-CD1 4.13Å; Y49-I59 HydrophobicContact CD1-CG1 4.5Å; Y49-I59 HydrophobicContact CE1-CB 4.11Å; Y49-I59 HydrophobicContact CE1-CD1 3.95Å; Y49-I59 HydrophobicContact CE1-CG1 3.91Å
50	D	95.4	Very high	94.6	Very high	38 Å²	38	56.5 Å²	56.5	20%	0.203	32%	0.323	C	S	.	.			trans	-60.4	128.4	164	-172.4	-66.5	0	0	0	109.2	W37 M38 S52 L53 K54	W37-D50 HydrophobicContact CE3-CB 4.19Å; W37-D50 HydrophobicContact CZ3-CB 4.28Å; W37-D50 WeakPolarHBondContact O-CB 3.4Å; M38-D50 PolarHBondContact O-N 2.84Å; D50-S52 PolarHBondContact O-N 2.91Å; D50-S52 VanDerWaalsContact O-N 3.14Å; D50-S52 VanDerWaalsContact OD1-CB 3.25Å; D50-S52 WeakPolarHBondContact OD1-CB 3.37Å; D50-S52 PolarHBondContact OD1-N 2.88Å; D50-S52 PolarHBondContact OD1-OG 3.37Å; D50-L53 HydrophobicContact CB-CB 4.34Å; D50-L53 HydrophobicContact CB-CD1 4.31Å; D50-L53 HydrophobicContact CB-CG 4.39Å; D50-L53 PolarHBondContact O-N 2.85Å; D50-K54 PolarHBondContact O-N 2.94Å
51	P	95.2	Very high	94.6	Very high	113 Å²	113	56.7 Å²	56.7	73%	0.734	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-33.2	-179.2	-27.5	35.3	0	0	0	114.3	L53	P51-L53 VanDerWaalsContact C-N 3.29Å; P51-L53 PolarHBondContact O-N 3.44Å
52	S	92.9	Very high	94.6	Very high	76 Å²	76	58 Å²	58	53%	0.531	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-23.4	179.1	71.3	0	0	0	0	113.3	D50	D50-S52 PolarHBondContact O-N 2.91Å; D50-S52 VanDerWaalsContact O-N 3.14Å; D50-S52 VanDerWaalsContact OD1-CB 3.25Å; D50-S52 WeakPolarHBondContact OD1-CB 3.37Å; D50-S52 PolarHBondContact OD1-N 2.88Å; D50-S52 PolarHBondContact OD1-OG 3.37Å
53	L	94.5	Very high	94.7	Very high	3 Å²	3	61.1 Å²	61.1	2%	0.016	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-14	-176.8	-63	178.5	0	0	0	113.3	M38 D50 P51 S55 R56 I57	M38-L53 HydrophobicContact CB-CD1 4Å; M38-L53 HydrophobicContact CE-CD1 3.91Å; M38-L53 HydrophobicContact CG-CD1 3.89Å; D50-L53 HydrophobicContact CB-CB 4.34Å; D50-L53 HydrophobicContact CB-CD1 4.31Å; D50-L53 HydrophobicContact CB-CG 4.39Å; D50-L53 PolarHBondContact O-N 2.85Å; P51-L53 VanDerWaalsContact C-N 3.29Å; P51-L53 PolarHBondContact O-N 3.44Å; L53-S55 PolarHBondContact O-N 3.02Å; L53-R56 VanDerWaalsContact CD2-NH2 3.27Å; L53-R56 PolarHBondContact O-N 3.26Å; L53-I57 HydrophobicContact CB-CD1 3.93Å; L53-I57 HydrophobicContact CB-CG1 4.22Å; L53-I57 HydrophobicContact CB-CG2 3.91Å; L53-I57 WeakPolarHBondContact O-CG1 3.05Å; L53-I57 PolarHBondContact O-N 3.13Å
54	K	93.3	Very high	94.9	Very high	143 Å²	143	59.9 Å²	59.9	62%	0.622	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-31.8	-170.8	-174.1	171.7	-176.6	179.3	0	115.4	Y49 D50	Y49-K54 HydrophobicContact CD2-CG 4.09Å; D50-K54 PolarHBondContact O-N 2.94Å
55	S	95.2	Very high	95.1	Very high	112 Å²	112	62.8 Å²	62.8	78%	0.783	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-16.3	178.6	59.3	0	0	0	0	114	L53	L53-S55 PolarHBondContact O-N 3.02Å
56	R	95.9	Very high	95.1	Very high	55 Å²	55	63 Å²	63	21%	0.208	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-23.2	-173.2	-55.8	-166.7	-60.6	129.3	-4.4	113.3	L53 L72 N73 D79	L53-R56 VanDerWaalsContact CD2-NH2 3.27Å; L53-R56 PolarHBondContact O-N 3.26Å; R56-L72 HydrophobicContact CB-CD1 3.92Å; R56-N73 PolarHBondContact O-N 3.1Å; R56-N73 PolarHBondContact O-ND2 2.87Å; R56-D79 IonicContact CZ-OD1 2.61Å; R56-D79 IonicContact CZ-OD2 3.64Å; R56-D79 IonicContact NH1-OD1 3.12Å; R56-D79 PolarHBondContact NH1-OD1 2.77Å; R56-D79 IonicContact NH1-OD2 2.79Å; R56-D79 PolarHBondContact NH1-OD2 3.43Å; R56-D79 IonicContact NH2-OD1 3.43Å; R56-D79 PolarHBondContact NH2-OD1 2.61Å; R56-D79 IonicContact NH2-OD2 2.71Å
57	I	96.6	Very high	95.2	Very high	10 Å²	10	62 Å²	62	5%	0.051	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	147.6	-175.7	69	175.2	0	0	0	113.4	M38 Y49 L53 L70 Q71 L72	M38-I57 HydrophobicContact CB-CD1 4.47Å; M38-I57 HydrophobicContact CE-CG2 4.11Å; M38-I57 WeakPolarHBondContact O-CD1 3.11Å; Y49-I57 HydrophobicContact CD1-CD1 3.38Å; Y49-I57 HydrophobicContact CD1-CG1 3.62Å; Y49-I57 HydrophobicContact CE1-CD1 4.21Å; Y49-I57 HydrophobicContact CE1-CG1 4.13Å; Y49-I57 HydrophobicContact CG-CD1 3.91Å; Y49-I57 HydrophobicContact CG-CG1 4.01Å; L53-I57 HydrophobicContact CB-CD1 3.93Å; L53-I57 HydrophobicContact CB-CG1 4.22Å; L53-I57 HydrophobicContact CB-CG2 3.91Å; L53-I57 WeakPolarHBondContact O-CG1 3.05Å; L53-I57 PolarHBondContact O-N 3.13Å; I57-L70 HydrophobicContact CB-CD1 4.21Å; I57-L70 HydrophobicContact CG2-CD1 4.34Å; I57-Q71 CarbonylContact C-O 3.49Å; I57-Q71 VanDerWaalsContact CA-O 3.27Å; I57-Q71 WeakPolarHBondContact CA-O 3.39Å; I57-L72 HydrophobicContact CG2-CD1 3.43Å; I57-L72 VanDerWaalsContact CG2-CD1 3.43Å
58	S	97.4	Very high	95.1	Very high	37 Å²	37	59.4 Å²	59.4	26%	0.259	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	129.3	168	-179.9	0	0	0	0	108.9	Q71	S58-Q71 PolarHBondContact N-O 2.86Å; S58-Q71 PolarHBondContact O-N 2.88Å
59	I	97.3	Very high	95.2	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.026	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.9	176.3	-60.6	169.7	0	0	0	108.1	G39 I41 T47 Y49 F69 L70	G39-I59 VanDerWaalsContact C-CD1 3.43Å; I41-I59 HydrophobicContact CB-CG2 3.74Å; I41-I59 HydrophobicContact CG2-CG2 3.7Å; T47-I59 HydrophobicContact CG2-CB 4.39Å; Y49-I59 HydrophobicContact CD1-CD1 4.13Å; Y49-I59 HydrophobicContact CD1-CG1 4.5Å; Y49-I59 HydrophobicContact CE1-CB 4.11Å; Y49-I59 HydrophobicContact CE1-CD1 3.95Å; Y49-I59 HydrophobicContact CE1-CG1 3.91Å; I59-F69 VanDerWaalsContact CA-O 3.31Å; I59-F69 WeakPolarHBondContact CA-O 3.37Å; I59-L70 HydrophobicContact CG1-CD1 3.92Å
60	T	96.4	Very high	95.3	Very high	69 Å²	69	57 Å²	57	42%	0.423	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	170.3	-179.4	65.3	0	0	0	0	111	F68 F69	T60-F68 CarbonylContact O-C 3.47Å; T60-F68 VanDerWaalsContact O-CA 3.3Å; T60-F68 WeakPolarHBondContact O-CA 3.38Å; T60-F68 WeakPolarHBondContact O-CB 3.32Å; T60-F69 PolarHBondContact N-O 2.87Å; T60-F69 VanDerWaalsContact N-O 3.08Å; T60-F69 PolarHBondContact O-N 3.36Å
61	R	95.2	Very high	95.4	Very high	71 Å²	71	59.1 Å²	59.1	27%	0.268	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	151.6	179	68.5	-179	-175.5	170.5	4.9	112.9	I19 I41 N42 Y43 S44 G45 Q67 F68	I19-R61 HydrophobicContact CD1-CB 3.92Å; I41-R61 HydrophobicContact CD1-CB 4.04Å; I41-R61 HydrophobicContact CD1-CG 3.78Å; N42-R61 PolarHBondContact O-NH1 3.14Å; Y43-R61 VanDerWaalsContact O-CZ 3.24Å; Y43-R61 PolarHBondContact O-NH1 2.99Å; Y43-R61 PolarHBondContact O-NH2 3.03Å; S44-R61 VanDerWaalsContact C-NH2 3.26Å; G45-R61 VanDerWaalsContact CA-CZ 3.5Å; G45-R61 VanDerWaalsContact N-CZ 3.35Å; G45-R61 VanDerWaalsContact N-NH2 3.16Å; R61-Q67 WeakPolarHBondContact CA-O 3.03Å; R61-F68 HydrophobicContact CB-CB 4.1Å
62	D	95.1	Very high	95.4	Very high	36 Å²	36	53.8 Å²	53.8	19%	0.193	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	99.2	170	-175.7	-14.5	0	0	0	108.1	S64 K65 N66 Q67 F69	D62-S64 PolarHBondContact O-N 3.42Å; D62-S64 WeakPolarHBondContact OD1-CB 2.94Å; D62-S64 PolarHBondContact OD1-N 2.91Å; D62-S64 PolarHBondContact OD1-OG 2.82Å; D62-K65 HydrophobicContact CB-CB 4.47Å; D62-K65 PolarHBondContact O-N 3.37Å; D62-K65 PolarHBondContact OD1-N 2.94Å; D62-K65 VanDerWaalsContact OD2-CD 3.3Å; D62-K65 WeakPolarHBondContact OD2-CD 3.47Å; D62-K65 WeakPolarHBondContact OD2-CE 3.11Å; D62-K65 IonicContact OD2-NZ 2.79Å; D62-K65 PolarHBondContact OD2-NZ 2.83Å; D62-N66 PolarHBondContact O-N 2.96Å; D62-N66 VanDerWaalsContact O-N 3.08Å; D62-Q67 PolarHBondContact N-O 2.77Å; D62-Q67 PolarHBondContact O-N 2.96Å; D62-F69 HydrophobicContact CB-CE2 3.79Å; D62-F69 HydrophobicContact CB-CZ 4.25Å
63	T	93.6	Very high	95.6	Very high	79 Å²	79	52.6 Å²	52.6	49%	0.485	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-23.8	-178.6	54.3	0	0	0	0	112.5	I19 T20 K65 N66	I19-T63 HydrophobicContact CD1-CG2 4.07Å; I19-T63 HydrophobicContact CG1-CG2 4.26Å; T20-T63 HydrophobicContact CG2-CG2 3.56Å; T63-K65 VanDerWaalsContact C-N 3.26Å; T63-K65 PolarHBondContact O-N 2.84Å; T63-N66 PolarHBondContact O-N 2.04Å
64	S	93.8	Very high	95.6	Very high	102 Å²	102	55.8 Å²	55.8	71%	0.713	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-28	177.3	75.7	0	0	0	0	112.2	D62	D62-S64 PolarHBondContact O-N 3.42Å; D62-S64 WeakPolarHBondContact OD1-CB 2.94Å; D62-S64 PolarHBondContact OD1-N 2.91Å; D62-S64 PolarHBondContact OD1-OG 2.82Å
65	K	95	Very high	95.7	Very high	130 Å²	130	49.1 Å²	49.1	57%	0.565	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-1.1	179	-62.2	-176.5	-166.9	125.9	0	113.8	D62 T63 Q67	D62-K65 HydrophobicContact CB-CB 4.47Å; D62-K65 PolarHBondContact O-N 3.37Å; D62-K65 PolarHBondContact OD1-N 2.94Å; D62-K65 VanDerWaalsContact OD2-CD 3.3Å; D62-K65 WeakPolarHBondContact OD2-CD 3.47Å; D62-K65 WeakPolarHBondContact OD2-CE 3.11Å; D62-K65 IonicContact OD2-NZ 2.79Å; D62-K65 PolarHBondContact OD2-NZ 2.83Å; T63-K65 VanDerWaalsContact C-N 3.26Å; T63-K65 PolarHBondContact O-N 2.84Å; K65-Q67 VanDerWaalsContact C-N 3.25Å; K65-Q67 HydrophobicContact CB-CB 4.29Å; K65-Q67 HydrophobicContact CB-CG 4.13Å; K65-Q67 PolarHBondContact O-N 2.88Å
66	N	93.6	Very high	95.7	Very high	34 Å²	34	46 Å²	46	18%	0.182	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	43.5	-173.6	-156.1	36.9	0	0	0	112.8	V14 D17 S18 I19 D62 T63	V14-N66 PolarHBondContact N-O 2.93Å; V14-N66 PolarHBondContact O-ND2 3.37Å; D17-N66 PolarHBondContact O-ND2 2.99Å; S18-N66 WeakPolarHBondContact CA-OD1 3.38Å; I19-N66 WeakPolarHBondContact CG2-OD1 3.16Å; I19-N66 PolarHBondContact N-OD1 3.11Å; D62-N66 PolarHBondContact O-N 2.96Å; D62-N66 VanDerWaalsContact O-N 3.08Å; T63-N66 PolarHBondContact O-N 2.04Å
67	Q	95.1	Very high	95.6	Very high	43 Å²	43	47.2 Å²	47.2	20%	0.201	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149.1	-175.9	-77.8	172.4	-13	0	0	112	T11 C12 S13 I19 R61 D62 K65 F69	T11-Q67 HydrophobicContact CG2-CB 4.41Å; T11-Q67 HydrophobicContact CG2-CG 4.16Å; C12-Q67 VanDerWaalsContact O-CA 3.29Å; C12-Q67 WeakPolarHBondContact O-CA 3.2Å; S13-Q67 WeakPolarHBondContact OG-CG 2.92Å; S13-Q67 PolarHBondContact OG-NE2 3.07Å; I19-Q67 WeakPolarHBondContact CD1-O 3.39Å; R61-Q67 WeakPolarHBondContact CA-O 3.03Å; D62-Q67 PolarHBondContact N-O 2.77Å; D62-Q67 PolarHBondContact O-N 2.96Å; K65-Q67 VanDerWaalsContact C-N 3.25Å; K65-Q67 HydrophobicContact CB-CB 4.29Å; K65-Q67 HydrophobicContact CB-CG 4.13Å; K65-Q67 PolarHBondContact O-N 2.88Å; Q67-F69 HydrophobicContact CB-CE1 4.37Å; Q67-F69 HydrophobicContact CB-CE2 4.06Å; Q67-F69 HydrophobicContact CB-CZ 3.7Å
68	F	95	Very high	95.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	153.6	166.9	71.1	-79.5	0	0	0	111	C12 V14 I19 W24 W26 I41 T60 R61 C85	C12-F68 HydrophobicContact CB-CD1 3.88Å; C12-F68 HydrophobicContact CB-CE1 3.46Å; C12-F68 VanDerWaalsContact CB-CE1 3.46Å; C12-F68 HydrophobicContact CB-CE2 4.17Å; C12-F68 HydrophobicContact CB-CG 4.41Å; C12-F68 HydrophobicContact CB-CZ 3.65Å; C12-F68 PolarHBondContact N-O 3.18Å; C12-F68 PolarHBondContact O-N 2.84Å; C12-F68 VanDerWaalsContact SG-CE1 3.52Å; V14-F68 HydrophobicContact CG2-CD1 4.32Å; V14-F68 HydrophobicContact CG2-CE1 4.03Å; I19-F68 HydrophobicContact CG2-CD1 4.16Å; W24-F68 HydrophobicContact CB-CD1 4.18Å; W24-F68 HydrophobicContact CB-CD2 4.19Å; W24-F68 HydrophobicContact CB-CE1 3.95Å; W24-F68 HydrophobicContact CB-CE2 3.97Å; W24-F68 HydrophobicContact CB-CG 4.28Å; W24-F68 HydrophobicContact CB-CZ 3.8Å; W24-F68 HydrophobicContact CD2-CD1 4.42Å; W24-F68 AromaticContact CD2-CE1 3.89Å; W24-F68 HydrophobicContact CD2-CE1 3.89Å; W24-F68 HydrophobicContact CD2-CZ 4.34Å; W24-F68 HydrophobicContact CE3-CD1 4.36Å; W24-F68 AromaticContact CE3-CE1 3.43Å; W24-F68 HydrophobicContact CE3-CE1 3.43Å; W24-F68 VanDerWaalsContact CE3-CE1 3.43Å; W24-F68 AromaticContact CE3-CZ 3.78Å; W24-F68 HydrophobicContact CE3-CZ 3.78Å; W24-F68 HydrophobicContact CG-CD1 4.36Å; W24-F68 HydrophobicContact CG-CE1 4.12Å; W24-F68 HydrophobicContact CG-CZ 4.4Å; W24-F68 HydrophobicContact CZ3-CE1 4.22Å; W26-F68 AromaticContact CD1-CE2 3.78Å; W26-F68 HydrophobicContact CD2-CE2 4.29Å; W26-F68 AromaticContact CE2-CD2 3.9Å; W26-F68 AromaticContact CE2-CE2 3.62Å; W26-F68 HydrophobicContact CG-CE2 4.39Å; W26-F68 HydrophobicContact CZ2-CD2 4.25Å; W26-F68 HydrophobicContact CZ2-CE2 4.07Å; W26-F68 AromaticContact NE1-CD2 3.27Å; W26-F68 VanDerWaalsContact NE1-CD2 3.27Å; W26-F68 AromaticContact NE1-CE2 3.27Å; W26-F68 VanDerWaalsContact NE1-CE2 3.27Å; I41-F68 HydrophobicContact CG2-CB 4.36Å; I41-F68 HydrophobicContact CG2-CD2 4.5Å; T60-F68 CarbonylContact O-C 3.47Å; T60-F68 VanDerWaalsContact O-CA 3.3Å; T60-F68 WeakPolarHBondContact O-CA 3.38Å; T60-F68 WeakPolarHBondContact O-CB 3.32Å; R61-F68 HydrophobicContact CB-CB 4.1Å; F68-C85 HydrophobicContact CE1-CB 4.06Å; F68-C85 HydrophobicContact CE2-CB 4.06Å; F68-C85 HydrophobicContact CZ-CB 3.31Å
69	F	96.7	Very high	95.2	Very high	41 Å²	41	52.5 Å²	52.5	18%	0.18	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	146.4	-164.3	-49.6	-89.9	0	0	0	110.7	L10 T11 I59 T60 D62 Q67	L10-F69 CarbonylContact O-C 3.54Å; L10-F69 WeakPolarHBondContact O-CA 3.41Å; T11-F69 HydrophobicContact CG2-CD1 3.82Å; T11-F69 HydrophobicContact CG2-CE1 3.45Å; T11-F69 VanDerWaalsContact CG2-CE1 3.45Å; T11-F69 HydrophobicContact CG2-CZ 4.32Å; T11-F69 VanDerWaalsContact OG1-CD1 3.29Å; T11-F69 WeakPolarHBondContact OG1-CD1 3.41Å; T11-F69 WeakPolarHBondContact OG1-CE1 3.26Å; I59-F69 VanDerWaalsContact CA-O 3.31Å; I59-F69 WeakPolarHBondContact CA-O 3.37Å; T60-F69 PolarHBondContact N-O 2.87Å; T60-F69 VanDerWaalsContact N-O 3.08Å; T60-F69 PolarHBondContact O-N 3.36Å; D62-F69 HydrophobicContact CB-CE2 3.79Å; D62-F69 HydrophobicContact CB-CZ 4.25Å; Q67-F69 HydrophobicContact CB-CE1 4.37Å; Q67-F69 HydrophobicContact CB-CE2 4.06Å; Q67-F69 HydrophobicContact CB-CZ 3.7Å
70	L	97.5	Very high	95.2	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.3	167.7	172.3	69.1	0	0	0	108.5	S9 L10 W26 M38 I57 I59 Y83	S9-L70 CarbonylContact C-O 3.44Å; S9-L70 WeakPolarHBondContact CA-O 3.14Å; L10-L70 HydrophobicContact CB-CB 4.35Å; L10-L70 HydrophobicContact CD1-CD2 4.36Å; L10-L70 PolarHBondContact N-O 2.83Å; L10-L70 PolarHBondContact O-N 2.96Å; W26-L70 HydrophobicContact CB-CD2 4.18Å; W26-L70 HydrophobicContact CD2-CB 3.65Å; W26-L70 HydrophobicContact CD2-CD2 3.97Å; W26-L70 HydrophobicContact CD2-CG 4.39Å; W26-L70 VanDerWaalsContact CE2-CB 3.43Å; W26-L70 HydrophobicContact CE3-CB 4.31Å; W26-L70 HydrophobicContact CE3-CD2 4.1Å; W26-L70 HydrophobicContact CG-CB 3.85Å; W26-L70 HydrophobicContact CG-CD1 4.43Å; W26-L70 HydrophobicContact CG-CD2 4.01Å; W26-L70 HydrophobicContact CG-CG 4.33Å; W26-L70 HydrophobicContact CZ2-CB 3.92Å; M38-L70 HydrophobicContact CE-CD1 4.45Å; M38-L70 HydrophobicContact CE-CD2 3.84Å; M38-L70 HydrophobicContact SD-CD2 3.69Å; I57-L70 HydrophobicContact CB-CD1 4.21Å; I57-L70 HydrophobicContact CG2-CD1 4.34Å; I59-L70 HydrophobicContact CG1-CD1 3.92Å; L70-Y83 HydrophobicContact CD2-CD1 4.02Å; L70-Y83 HydrophobicContact CD2-CE1 4.31Å
71	Q	97.4	Very high	95.1	Very high	82 Å²	82	50.6 Å²	50.6	38%	0.383	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126	166.2	-170.1	178.4	35.2	0	0	108.6	T7 L8 I57 S58	T7-Q71 HydrophobicContact CG2-CG 3.44Å; T7-Q71 VanDerWaalsContact CG2-CG 3.44Å; L8-Q71 CarbonylContact O-C 3.47Å; L8-Q71 WeakPolarHBondContact O-CA 3.17Å; I57-Q71 CarbonylContact C-O 3.49Å; I57-Q71 VanDerWaalsContact CA-O 3.27Å; I57-Q71 WeakPolarHBondContact CA-O 3.39Å; S58-Q71 PolarHBondContact N-O 2.86Å; S58-Q71 PolarHBondContact O-N 2.88Å
72	L	96.8	Very high	95.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	114.7	173.8	175.4	66.9	0	0	0	108.6	T7 L8 M38 R56 I57 V75 D79	T7-L72 WeakPolarHBondContact CA-O 3.33Å; L8-L72 HydrophobicContact CB-CB 4.37Å; L8-L72 PolarHBondContact N-O 3.25Å; L8-L72 PolarHBondContact O-N 3.45Å; M38-L72 HydrophobicContact CE-CD2 4.35Å; R56-L72 HydrophobicContact CB-CD1 3.92Å; I57-L72 HydrophobicContact CG2-CD1 3.43Å; I57-L72 VanDerWaalsContact CG2-CD1 3.43Å; L72-V75 HydrophobicContact CB-CG1 4.49Å; L72-V75 HydrophobicContact CD2-CG1 3.95Å; L72-V75 HydrophobicContact CG-CG1 3.96Å; L72-D79 HydrophobicContact CD2-CB 3.98Å
73	N	96.5	Very high	95.2	Very high	52 Å²	52	46.8 Å²	46.8	28%	0.278	26%	0.258	S	S	.	.			trans	-89.2	152.3	-177.3	-64.7	-47	0	0	0	111.8	T7 R56 V75	T7-N73 WeakPolarHBondContact CG2-OD1 3.27Å; T7-N73 PolarHBondContact OG1-OD1 2.85Å; R56-N73 PolarHBondContact O-N 3.1Å; R56-N73 PolarHBondContact O-ND2 2.87Å; N73-V75 PolarHBondContact O-N 2.88Å
74	S	94.6	Very high	95.3	Very high	70 Å²	70	45.2 Å²	45.2	49%	0.49	24%	0.244	S	C	.	.	S	Bend	trans	52.4	55.1	175	-56.3	0	0	0	0	112.2	Q6	Q6-S74 PolarHBondContact O-N 2.87Å
75	V	95.3	Very high	95.3	Very high	2 Å²	2	41 Å²	41	1%	0.012	22%	0.215	C	C	.	.			trans	-62.8	143.2	-176.3	-61.2	0	0	0	0	112.1	V2 K3 P4 S5 Q6 L8 L72 N73 D79 V106	V2-V75 HydrophobicContact CG1-CG2 3.79Å; K3-V75 WeakPolarHBondContact O-CG2 3.24Å; P4-V75 CarbonylContact C-O 3.53Å; P4-V75 VanDerWaalsContact CA-O 3.31Å; P4-V75 WeakPolarHBondContact CA-O 3.42Å; S5-V75 PolarHBondContact N-O 3.21Å; Q6-V75 WeakPolarHBondContact O-CG2 3.27Å; Q6-V75 PolarHBondContact O-N 2.82Å; L8-V75 HydrophobicContact CB-CG1 3.82Å; L72-V75 HydrophobicContact CB-CG1 4.49Å; L72-V75 HydrophobicContact CD2-CG1 3.95Å; L72-V75 HydrophobicContact CG-CG1 3.96Å; N73-V75 PolarHBondContact O-N 2.88Å; V75-D79 VanDerWaalsContact CA-OD2 3.29Å; V75-D79 WeakPolarHBondContact CA-OD2 3.31Å; V75-D79 HydrophobicContact CB-CB 4.44Å; V75-V106 HydrophobicContact CB-CG1 4.44Å; V75-V106 HydrophobicContact CB-CG2 4.13Å; V75-V106 HydrophobicContact CG2-CG1 3.88Å; V75-V106 HydrophobicContact CG2-CG2 4.03Å
76	T	94.7	Very high	95.1	Very high	48 Å²	48	34.9 Å²	34.9	29%	0.294	19%	0.188	S	C	.	.			trans	-117.1	167.3	176.2	71.9	0	0	0	0	110.3	E78 D79 V106	T76-E78 PolarHBondContact O-N 3.49Å; T76-E78 VanDerWaalsContact O-N 3.16Å; T76-E78 PolarHBondContact OG1-N 3.24Å; T76-D79 PolarHBondContact N-OD2 3.12Å; T76-D79 WeakPolarHBondContact O-CB 3.38Å; T76-D79 PolarHBondContact O-N 2.8Å; T76-D79 PolarHBondContact OG1-OD2 2.84Å; T76-V106 VanDerWaalsContact O-CB 3.31Å; T76-V106 WeakPolarHBondContact O-CB 3.4Å; T76-V106 WeakPolarHBondContact O-CG1 3.16Å
77	P	93.8	Very high	94.9	Very high	79 Å²	79	33.9 Å²	33.9	51%	0.513	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-54.2	-30.3	172.7	-28.5	37.7	0	0	0	113.8	D79 T80	P77-D79 PolarHBondContact O-N 3.38Å; P77-T80 WeakPolarHBondContact O-CB 3.4Å; P77-T80 PolarHBondContact O-N 3.4Å; P77-T80 VanDerWaalsContact O-N 3.12Å; P77-T80 PolarHBondContact O-OG1 2.93Å
78	E	92.4	Very high	94.3	Very high	156 Å²	156	33.2 Å²	33.2	73%	0.729	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-65.4	-23.2	175.9	-60.5	172	-179.4	0	0	112.1	F30 T76 T80	F30-E78 VanDerWaalsContact CE1-O 3.3Å; F30-E78 WeakPolarHBondContact CE1-O 3.44Å; T76-E78 PolarHBondContact O-N 3.49Å; T76-E78 VanDerWaalsContact O-N 3.16Å; T76-E78 PolarHBondContact OG1-N 3.24Å; E78-T80 PolarHBondContact O-N 2.94Å
79	D	94.6	Very high	93.1	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.011	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-78	7.4	175.2	-58.6	-52.5	0	0	0	113.2	R28 R56 L72 V75 T76 P77 Y83	R28-D79 IonicContact CZ-OD1 2.8Å; R28-D79 VanDerWaalsContact NH1-CA 3.25Å; R28-D79 IonicContact NH1-OD1 2.63Å; R28-D79 PolarHBondContact NH1-OD1 2.8Å; R28-D79 IonicContact NH2-OD1 3Å; R56-D79 IonicContact CZ-OD1 2.61Å; R56-D79 IonicContact CZ-OD2 3.64Å; R56-D79 IonicContact NH1-OD1 3.12Å; R56-D79 PolarHBondContact NH1-OD1 2.77Å; R56-D79 IonicContact NH1-OD2 2.79Å; R56-D79 PolarHBondContact NH1-OD2 3.43Å; R56-D79 IonicContact NH2-OD1 3.43Å; R56-D79 PolarHBondContact NH2-OD1 2.61Å; R56-D79 IonicContact NH2-OD2 2.71Å; L72-D79 HydrophobicContact CD2-CB 3.98Å; V75-D79 VanDerWaalsContact CA-OD2 3.29Å; V75-D79 WeakPolarHBondContact CA-OD2 3.31Å; V75-D79 HydrophobicContact CB-CB 4.44Å; T76-D79 PolarHBondContact N-OD2 3.12Å; T76-D79 WeakPolarHBondContact O-CB 3.38Å; T76-D79 PolarHBondContact O-N 2.8Å; T76-D79 PolarHBondContact OG1-OD2 2.84Å; P77-D79 PolarHBondContact O-N 3.38Å; D79-Y83 PolarHBondContact O-OH 3.25Å
80	T	95.2	Very high	91.5	Very high	31 Å²	31	46.3 Å²	46.3	19%	0.19	23%	0.23	C	C	.	.			trans	-69.6	128.4	173.1	-66	0	0	0	0	111	P31 P77 E78 L104 T105 V106	P31-T80 WeakPolarHBondContact CD-O 3.43Å; P31-T80 HydrophobicContact CG-CG2 4.47Å; P77-T80 WeakPolarHBondContact O-CB 3.4Å; P77-T80 PolarHBondContact O-N 3.4Å; P77-T80 VanDerWaalsContact O-N 3.12Å; P77-T80 PolarHBondContact O-OG1 2.93Å; E78-T80 PolarHBondContact O-N 2.94Å; T80-L104 WeakPolarHBondContact CA-O 3.4Å; T80-T105 HydrophobicContact CG2-CG2 4.34Å; T80-V106 PolarHBondContact OG1-N 2.75Å
81	G	95.6	Very high	89.8	Confident	4 Å²	4	50.2 Å²	50.2	4%	0.041	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.6	-177	179.5	0	0	0	0	0	113	Q29 L104	Q29-G81 CarbonylContact O-C 3.48Å; Q29-G81 WeakPolarHBondContact O-CA 3.38Å; G81-L104 PolarHBondContact N-O 2.82Å; G81-L104 PolarHBondContact O-N 3.08Å
82	T	96.1	Very high	88.2	Confident	23 Å²	23	48.6 Å²	48.6	14%	0.141	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.8	172.5	-53.2	0	0	0	0	109.5	R28 Q29 Y84 T102 T103	R28-T82 CarbonylContact C-O 3.57Å; Q29-T82 PolarHBondContact N-O 3.19Å; Q29-T82 PolarHBondContact O-N 2.95Å; T82-Y84 HydrophobicContact CG2-CD2 4.34Å; T82-Y84 HydrophobicContact CG2-CE1 3.91Å; T82-Y84 HydrophobicContact CG2-CE2 3.6Å; T82-Y84 WeakPolarHBondContact CG2-OH 3.39Å; T82-T102 WeakPolarHBondContact CA-O 3.29Å; T82-T103 PolarHBondContact OG1-OG1 2.91Å
83	Y	96.1	Very high	86.7	Confident	3 Å²	3	53.5 Å²	53.5	1%	0.012	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.3	-176.4	-68.7	-103.4	0	0	0	109.4	L8 L10 I27 R28 M38 L70 D79 G101 T102 L104	L8-Y83 HydrophobicContact CD2-CE1 4.38Å; L8-Y83 HydrophobicContact CD2-CE2 4.4Å; L10-Y83 VanDerWaalsContact CD1-CB 3.45Å; L10-Y83 HydrophobicContact CD1-CD1 3.74Å; L10-Y83 HydrophobicContact CD1-CD2 4.2Å; L10-Y83 HydrophobicContact CD1-CG 3.53Å; I27-Y83 WeakPolarHBondContact O-CA 3.29Å; R28-Y83 HydrophobicContact CB-CD1 4.34Å; R28-Y83 HydrophobicContact CB-CE1 4.24Å; R28-Y83 WeakPolarHBondContact CD-OH 3.25Å; R28-Y83 HydrophobicContact CG-CE1 4.2Å; R28-Y83 HydrophobicContact CG-CE2 4.45Å; R28-Y83 PolarHBondContact NH1-OH 2.63Å; M38-Y83 HydrophobicContact CE-CE1 3.88Å; M38-Y83 HydrophobicContact SD-CD1 3.74Å; M38-Y83 HydrophobicContact SD-CE1 3.63Å; L70-Y83 HydrophobicContact CD2-CD1 4.02Å; L70-Y83 HydrophobicContact CD2-CE1 4.31Å; D79-Y83 PolarHBondContact O-OH 3.25Å; Y83-G101 CarbonylContact O-C 3.53Å; Y83-G101 WeakPolarHBondContact O-CA 3.19Å; Y83-T102 PolarHBondContact N-O 2.91Å; Y83-T102 PolarHBondContact O-N 3.47Å; Y83-L104 HydrophobicContact CD2-CB 4.31Å; Y83-L104 HydrophobicContact CD2-CD1 3.85Å; Y83-L104 HydrophobicContact CD2-CG 4.31Å; Y83-L104 HydrophobicContact CE2-CB 4.1Å; Y83-L104 HydrophobicContact CE2-CD1 3.95Å; Y83-L104 HydrophobicContact CE2-CG 4.49Å
84	Y	95	Very high	85.3	Confident	46 Å²	46	59.4 Å²	59.4	18%	0.18	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	142.9	-178.6	-59.9	-85.5	0	0	0	110.2	I27 Q29 T82 G101	I27-Y84 PolarHBondContact N-O 3.23Å; I27-Y84 PolarHBondContact O-N 2.79Å; Q29-Y84 HydrophobicContact CB-CD2 4.28Å; Q29-Y84 HydrophobicContact CB-CE2 3.63Å; Q29-Y84 PolarHBondContact OE1-OH 3.12Å; T82-Y84 HydrophobicContact CG2-CD2 4.34Å; T82-Y84 HydrophobicContact CG2-CE1 3.91Å; T82-Y84 HydrophobicContact CG2-CE2 3.6Å; T82-Y84 WeakPolarHBondContact CG2-OH 3.39Å; Y84-G101 VanDerWaalsContact CD1-CA 3.44Å
85	C	93.6	Very high	84.5	Confident	15 Å²	15	59.7 Å²	59.7	10%	0.101	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	143	158	30.1	0	0	0	0	110.2	C12 N25 F68 W98	C12-C85 HydrophobicContact CB-CB 3.55Å; C12-C85 WeakPolarHBondContact CB-SG 3.49Å; C12-C85 WeakPolarHBondContact SG-CB 3.19Å; C12-C85 CovalentContact SG-SG 2.04Å; C12-C85 PolarHBondContact SG-SG 2.96Å; N25-C85 WeakPolarHBondContact O-CA 3.3Å; F68-C85 HydrophobicContact CE1-CB 4.06Å; F68-C85 HydrophobicContact CE2-CB 4.06Å; F68-C85 HydrophobicContact CZ-CB 3.31Å; C85-W98 PolarHBondContact O-N 2.82Å; C85-W98 PolarHBondContact SG-O 2.85Å
86	A	92	Very high	83.7	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	153.5	178	0	0	0	0	0	111.1	N25 I27 F95 D96	N25-A86 HydrophobicContact CB-CB 4.32Å; N25-A86 PolarHBondContact N-O 3.03Å; N25-A86 PolarHBondContact O-N 3.08Å; I27-A86 HydrophobicContact CD1-CB 3.82Å; A86-F95 HydrophobicContact CB-CB 4.04Å; A86-F95 HydrophobicContact CB-CD1 4.27Å; A86-F95 HydrophobicContact CB-CG 4.37Å; A86-D96 CarbonylContact C-O 3.59Å; A86-D96 WeakPolarHBondContact CA-O 3.47Å; A86-D96 WeakPolarHBondContact CB-O 3.46Å
87	R	89	Confident	82.7	Confident	13 Å²	13	67 Å²	67	5%	0.049	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	144.9	175.4	-169.9	-176.8	178.3	-159.7	2.6	109.7	D17 S21 Y23 W24 Y89 F95 D96 W98	D17-R87 VanDerWaalsContact CG-CZ 3.47Å; D17-R87 IonicContact OD1-CZ 3.69Å; D17-R87 IonicContact OD1-NH1 3.72Å; D17-R87 PolarHBondContact OD1-NH1 3.31Å; D17-R87 IonicContact OD1-NH2 2.89Å; D17-R87 PolarHBondContact OD1-NH2 2.94Å; D17-R87 VanDerWaalsContact OD2-CD 3.31Å; D17-R87 WeakPolarHBondContact OD2-CD 3.31Å; D17-R87 IonicContact OD2-CZ 3.49Å; D17-R87 IonicContact OD2-NE 3.71Å; D17-R87 PolarHBondContact OD2-NE 3.11Å; D17-R87 VanDerWaalsContact OD2-NE 3.12Å; D17-R87 IonicContact OD2-NH1 3.4Å; D17-R87 PolarHBondContact OD2-NH1 2.8Å; D17-R87 IonicContact OD2-NH2 3.64Å; D17-R87 PolarHBondContact OD2-NH2 2.83Å; S21-R87 PolarHBondContact OG-NH2 3.02Å; Y23-R87 WeakPolarHBondContact O-CA 3.48Å; W24-R87 HydrophobicContact CD2-CB 4.48Å; W24-R87 HydrophobicContact CD2-CG 4.38Å; W24-R87 HydrophobicContact CE3-CB 4.07Å; W24-R87 HydrophobicContact CE3-CG 4.44Å; W24-R87 HydrophobicContact CH2-CB 4.02Å; W24-R87 HydrophobicContact CH2-CG 4.09Å; W24-R87 HydrophobicContact CZ2-CB 4.4Å; W24-R87 HydrophobicContact CZ2-CG 3.99Å; W24-R87 HydrophobicContact CZ3-CB 3.83Å; W24-R87 HydrophobicContact CZ3-CG 4.31Å; R87-Y89 VanDerWaalsContact NH1-CZ 3.32Å; R87-Y89 PolarHBondContact NH1-OH 2.73Å; R87-Y89 VanDerWaalsContact NH2-CE1 3.29Å; R87-Y89 PolarHBondContact NH2-OH 3.04Å; R87-F95 WeakPolarHBondContact O-CA 3.49Å; R87-D96 HydrophobicContact CB-CB 4.46Å; R87-D96 PolarHBondContact N-O 3.19Å; R87-D96 PolarHBondContact O-N 3.05Å; R87-W98 HydrophobicContact CB-CG 4.44Å
88	D	83.4	Confident	81.9	Confident	29 Å²	29	66.1 Å²	66.1	16%	0.155	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	150.5	166.7	-174	24.3	0	0	0	110.6	Y23 S92 F95	Y23-D88 PolarHBondContact N-O 3.31Å; Y23-D88 VanDerWaalsContact N-O 3.11Å; Y23-D88 PolarHBondContact O-N 2.75Å; D88-S92 WeakPolarHBondContact OD1-CB 3.49Å; D88-S92 PolarHBondContact OD1-OG 2.91Å; D88-S92 VanDerWaalsContact OD1-OG 3.13Å; D88-F95 HydrophobicContact CB-CD1 3.77Å; D88-F95 HydrophobicContact CB-CE1 3.76Å
89	Y	69.6	Low	81.1	Confident	113 Å²	113	61.2 Å²	61.2	44%	0.443	32%	0.321	S	S	.	.			trans	-101	143.9	174.1	-71.2	-82.8	0	0	0	109.6	R87 G91 S92	R87-Y89 VanDerWaalsContact NH1-CZ 3.32Å; R87-Y89 PolarHBondContact NH1-OH 2.73Å; R87-Y89 VanDerWaalsContact NH2-CE1 3.29Å; R87-Y89 PolarHBondContact NH2-OH 3.04Å; Y89-G91 PolarHBondContact O-N 2.86Å; Y89-S92 WeakPolarHBondContact O-CB 3.44Å; Y89-S92 PolarHBondContact O-N 3.03Å
90	Y	61.9	Low	80.7	Confident	204 Å²	204	69.9 Å²	69.9	80%	0.8	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	113.9	-179.8	-166.5	-101.5	0	0	0	111.3	Y23	Y23-Y90 AromaticContact CE2-CD2 3.8Å; Y23-Y90 HydrophobicContact CE2-CD2 3.8Å; Y23-Y90 HydrophobicContact CE2-CG 4.43Å; Y23-Y90 AromaticContact CZ-CD2 3.81Å; Y23-Y90 VanDerWaalsContact OH-CD2 3.27Å; Y23-Y90 WeakPolarHBondContact OH-CD2 3.47Å
91	G	62.3	Low	80.4	Confident	83 Å²	83	69.7 Å²	69.7	86%	0.856	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.5	4.3	-178.6	0	0	0	0	0	115.6	Y89	Y89-G91 PolarHBondContact O-N 2.86Å
92	S	64.3	Low	80.3	Confident	48 Å²	48	72.9 Å²	72.9	34%	0.336	39%	0.385	S	S	.	.			trans	-85	145.2	169.6	160.3	0	0	0	0	110.8	D88 Y89 Y94	D88-S92 WeakPolarHBondContact OD1-CB 3.49Å; D88-S92 PolarHBondContact OD1-OG 2.91Å; D88-S92 VanDerWaalsContact OD1-OG 3.13Å; Y89-S92 WeakPolarHBondContact O-CB 3.44Å; Y89-S92 PolarHBondContact O-N 3.03Å; S92-Y94 PolarHBondContact OG-N 2.7Å; S92-Y94 VanDerWaalsContact OG-N 3.09Å; S92-Y94 PolarHBondContact OG-O 3.15Å
93	S	65.8	Low	80.1	Confident	102 Å²	102	76.6 Å²	76.6	71%	0.713	41%	0.407	S	S	*	.	S	Bend	trans	-95.7	5.4	174.4	54.9	0	0	0	0	112.8
94	Y	67	Low	79.9	Confident	176 Å²	176	77.5 Å²	77.5	69%	0.69	41%	0.412	S	S	*	.			trans	-126.7	137	-172.1	-62.5	-78.8	0	0	0	111.4	S92	S92-Y94 PolarHBondContact OG-N 2.7Å; S92-Y94 VanDerWaalsContact OG-N 3.09Å; S92-Y94 PolarHBondContact OG-O 3.15Å
95	F	76.4	Confident	79.8	Confident	76 Å²	76	78.6 Å²	78.6	33%	0.333	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-92.6	126	170.7	-71.1	-63.5	0	0	0	109.9	N25 I27 A86 R87 D88	N25-F95 HydrophobicContact CB-CD1 4.42Å; N25-F95 HydrophobicContact CB-CE1 4.13Å; N25-F95 VanDerWaalsContact CG-CE1 3.43Å; N25-F95 WeakPolarHBondContact ND2-CE1 3.29Å; I27-F95 HydrophobicContact CD1-CB 4.48Å; I27-F95 HydrophobicContact CD1-CD2 4.02Å; I27-F95 HydrophobicContact CD1-CE2 4.45Å; I27-F95 HydrophobicContact CD1-CG 4.12Å; A86-F95 HydrophobicContact CB-CB 4.04Å; A86-F95 HydrophobicContact CB-CD1 4.27Å; A86-F95 HydrophobicContact CB-CG 4.37Å; R87-F95 WeakPolarHBondContact O-CA 3.49Å; D88-F95 HydrophobicContact CB-CD1 3.77Å; D88-F95 HydrophobicContact CB-CE1 3.76Å
96	D	78.3	Confident	79.6	Confident	80 Å²	80	78.3 Å²	78.3	43%	0.428	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	121.8	163.5	-67	-36.1	0	0	0	107.5	A86 R87 W98	A86-D96 CarbonylContact C-O 3.59Å; A86-D96 WeakPolarHBondContact CA-O 3.47Å; A86-D96 WeakPolarHBondContact CB-O 3.46Å; R87-D96 HydrophobicContact CB-CB 4.46Å; R87-D96 PolarHBondContact N-O 3.19Å; R87-D96 PolarHBondContact O-N 3.05Å; D96-W98 VanDerWaalsContact O-CD1 3.28Å; D96-W98 PolarHBondContact O-N 3.05Å
97	Y	74.7	Confident	79.4	Confident	124 Å²	124	80 Å²	80	49%	0.486	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	121.1	175.4	-69.1	-81.6	0	0	0	109.6	I27	I27-Y97 HydrophobicContact CD1-CE1 4.2Å
98	W	76.1	Confident	79	Confident	60 Å²	60	84.5 Å²	84.5	23%	0.227	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	91.4	-178	-83.9	74.5	0	0	0	109.3	V14 S15 D17 W24 C85 R87 D96	V14-W98 HydrophobicContact CG1-CE3 3.96Å; V14-W98 HydrophobicContact CG1-CH2 4.46Å; V14-W98 HydrophobicContact CG1-CZ3 3.74Å; S15-W98 WeakPolarHBondContact O-CZ3 3.18Å; D17-W98 HydrophobicContact CB-CH2 3.39Å; D17-W98 HydrophobicContact CB-CZ2 4Å; D17-W98 HydrophobicContact CB-CZ3 4.05Å; W24-W98 AromaticContact CH2-CD2 3.78Å; W24-W98 HydrophobicContact CH2-CD2 3.78Å; W24-W98 AromaticContact CH2-CE2 4Å; W24-W98 HydrophobicContact CH2-CE3 4.05Å; W24-W98 HydrophobicContact CH2-CG 4.08Å; W24-W98 HydrophobicContact CH2-CZ2 4.48Å; W24-W98 HydrophobicContact CZ3-CB 3.98Å; W24-W98 AromaticContact CZ3-CD2 3.85Å; W24-W98 HydrophobicContact CZ3-CD2 3.85Å; W24-W98 HydrophobicContact CZ3-CE3 4.3Å; W24-W98 AromaticContact CZ3-CG 3.66Å; W24-W98 HydrophobicContact CZ3-CG 3.66Å; C85-W98 PolarHBondContact O-N 2.82Å; C85-W98 PolarHBondContact SG-O 2.85Å; R87-W98 HydrophobicContact CB-CG 4.44Å; D96-W98 VanDerWaalsContact O-CD1 3.28Å; D96-W98 PolarHBondContact O-N 3.05Å
99	G	77.1	Confident	78.7	Confident	54 Å²	54	86 Å²	86	56%	0.557	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	108.2	172.9	176.6	0	0	0	0	0	114.3	G101	G99-G101 PolarHBondContact O-N 2.74Å
100	Q	84.4	Confident	78.2	Confident	184 Å²	184	89.9 Å²	89.9	86%	0.86	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	-4.7	-174.1	-63.7	-65.1	-24.2	0	0	113.8
101	G	89.4	Confident	78.2	Confident	27 Å²	27	85.4 Å²	85.4	28%	0.278	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	71.6	169.1	-170	0	0	0	0	0	113.5	Y83 Y84 G99	Y83-G101 CarbonylContact O-C 3.53Å; Y83-G101 WeakPolarHBondContact O-CA 3.19Å; Y84-G101 VanDerWaalsContact CD1-CA 3.44Å; G99-G101 PolarHBondContact O-N 2.74Å
102	T	93.1	Very high	78	Confident	71 Å²	71	87.4 Å²	87.4	44%	0.436	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120.2	176.8	-62.3	0	0	0	0	109.6	L10 T82 Y83 L104	L10-T102 HydrophobicContact CD2-CG2 4.17Å; T82-T102 WeakPolarHBondContact CA-O 3.29Å; Y83-T102 PolarHBondContact N-O 2.91Å; Y83-T102 PolarHBondContact O-N 3.47Å; T102-L104 HydrophobicContact CG2-CD2 4.15Å; T102-L104 HydrophobicContact CG2-CG 4.18Å
103	T	93.3	Very high	78	Confident	100 Å²	100	90 Å²	90	61%	0.613	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	125	177.9	-58	0	0	0	0	110.7	T82	T82-T103 PolarHBondContact OG1-OG1 2.91Å
104	L	91.6	Very high	77.4	Confident	22 Å²	22	90.9 Å²	90.9	12%	0.115	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.5	-179.6	-65.4	173.3	0	0	0	111	L8 L10 T80 G81 Y83 T102	L8-L104 HydrophobicContact CD1-CD1 3.34Å; L8-L104 HydrophobicContact CD1-CD2 4.43Å; L8-L104 HydrophobicContact CD2-CD1 3.28Å; L8-L104 HydrophobicContact CG-CD1 3.88Å; L10-L104 HydrophobicContact CD1-CD1 4.03Å; L10-L104 HydrophobicContact CD2-CD1 3.96Å; L10-L104 HydrophobicContact CG-CD1 4.25Å; T80-L104 WeakPolarHBondContact CA-O 3.4Å; G81-L104 PolarHBondContact N-O 2.82Å; G81-L104 PolarHBondContact O-N 3.08Å; Y83-L104 HydrophobicContact CD2-CB 4.31Å; Y83-L104 HydrophobicContact CD2-CD1 3.85Å; Y83-L104 HydrophobicContact CD2-CG 4.31Å; Y83-L104 HydrophobicContact CE2-CB 4.1Å; Y83-L104 HydrophobicContact CE2-CD1 3.95Å; Y83-L104 HydrophobicContact CE2-CG 4.49Å; T102-L104 HydrophobicContact CG2-CD2 4.15Å; T102-L104 HydrophobicContact CG2-CG 4.18Å
105	T	92.4	Very high	77.2	Confident	70 Å²	70	88.1 Å²	88.1	43%	0.429	52%	0.518	S	S	.	.			trans	-111.2	126.6	173.7	-49.5	0	0	0	0	109.2	L1 V2 T80	L1-T105 CarbonylContact C-O 3.58Å; L1-T105 VanDerWaalsContact CA-O 3.32Å; L1-T105 WeakPolarHBondContact CA-O 3.41Å; L1-T105 HydrophobicContact CD1-CG2 4.37Å; V2-T105 PolarHBondContact N-O 3.37Å; T80-T105 HydrophobicContact CG2-CG2 4.34Å
106	V	89.2	Confident	76.6	Confident	8 Å²	8	94.6 Å²	94.6	5%	0.048	56%	0.563	C	S	.	*	B	Isolated β-bridge	trans	-102.2	112.4	172.6	-175.7	0	0	0	0	108.3	V2 P4 V75 T76 T80	V2-V106 HydrophobicContact CB-CG2 4.45Å; V2-V106 VanDerWaalsContact O-CA 3.26Å; V2-V106 WeakPolarHBondContact O-CA 3.3Å; P4-V106 HydrophobicContact CG-CG1 4.25Å; V75-V106 HydrophobicContact CB-CG1 4.44Å; V75-V106 HydrophobicContact CB-CG2 4.13Å; V75-V106 HydrophobicContact CG2-CG1 3.88Å; V75-V106 HydrophobicContact CG2-CG2 4.03Å; T76-V106 VanDerWaalsContact O-CB 3.31Å; T76-V106 WeakPolarHBondContact O-CB 3.4Å; T76-V106 WeakPolarHBondContact O-CG1 3.16Å; T80-V106 PolarHBondContact OG1-N 2.75Å
107	S	88	Confident	76.5	Confident	36 Å²	36	95.3 Å²	95.3	25%	0.252	57%	0.57	S	S	.	*			trans	-150.4	145.4	-179.6	178.6	0	0	0	0	111.6	V2 A109	V2-S107 PolarHBondContact O-N 3.44Å; V2-S107 VanDerWaalsContact O-N 3.09Å; S107-A109 VanDerWaalsContact OG-CB 3.27Å; S107-A109 WeakPolarHBondContact OG-CB 3.33Å; S107-A109 PolarHBondContact OG-N 3.39Å
108	S	81.8	Confident	76.6	Confident	107 Å²	107	93.8 Å²	93.8	75%	0.748	57%	0.574	S	S	*	*			trans	-80	-7.4	170.6	54.9	0	0	0	0	112.5	K110	S108-K110 PolarHBondContact O-N 3.3Å
109	A	75.8	Confident	76.6	Confident	60 Å²	60	95.7 Å²	95.7	50%	0.496	59%	0.593	S	S	.	*			trans	-61.9	132	-178.2	0	0	0	0	0	111.3	S107 T111	S107-A109 VanDerWaalsContact OG-CB 3.27Å; S107-A109 WeakPolarHBondContact OG-CB 3.33Å; S107-A109 PolarHBondContact OG-N 3.39Å; A109-T111 PolarHBondContact O-N 3.05Å
110	K	60.5	Low	76.6	Confident	196 Å²	196	98.1 Å²	98.1	85%	0.852	60%	0.595	S	S	*	*			trans	-71.8	123.3	172.7	-159.8	175.2	-175.3	-177.9	0	107.5	S108 T112	S108-K110 PolarHBondContact O-N 3.3Å; K110-T112 PolarHBondContact O-N 3.39Å
111	T	61.7	Low	76.1	Confident	110 Å²	110	92.8 Å²	92.8	68%	0.675	58%	0.579	S	S	*	*			trans	-58.6	104.1	173.9	46.4	0	0	0	0	108.5	L1 A109	L1-T111 HydrophobicContact CD2-CG2 3.51Å; A109-T111 PolarHBondContact O-N 3.05Å
112	T	58.2	Low	75.2	Confident	124 Å²	124	97.1 Å²	97.1	76%	0.761	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-76.8	128.3	166.2	-13.9	0	0	0	0	105.9	K110	K110-T112 PolarHBondContact O-N 3.39Å
113	P	63	Low	73.9	Confident	102 Å²	102	99 Å²	99	66%	0.662	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-53.2	144.2	171.4	-20.2	30.5	0	0	0	109.1	S115	P113-S115 PolarHBondContact O-N 2.58Å; P113-S115 VanDerWaalsContact O-N 3.1Å
114	P	54.3	Low	72.5	Confident	121 Å²	121	98.9 Å²	98.9	79%	0.786	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-54.8	123.6	171.7	22.8	-30.4	0	0	0	108.1	V116	P114-V116 PolarHBondContact O-N 2.79Å
115	S	62.3	Low	70.9	Confident	119 Å²	119	105.3 Å²	105.3	83%	0.832	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-68.9	122.5	171.8	-54.3	0	0	0	0	107.7	P113	P113-S115 PolarHBondContact O-N 2.58Å; P113-S115 VanDerWaalsContact O-N 3.1Å
116	V	63.4	Low	68.9	Low	211 Å²	211	108.5 Å²	108.5	100%	1.279	67%	0.672	S	S	*	*			trans	-80.7	0	169.3	-178.5	0	0	0	0	108.8	P114	P114-V116 PolarHBondContact O-N 2.79Å

Retrieved 116 of 116 residues in 36.7 ms (Link to these results)

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