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Integrin-linked kinase-associated serine/threonine phosphatase 2C

AlphaFold DB , UniProt , Accession A0A087WS54, Species MOUSE (Mus musculus, Mouse), Gene Ilkap, Length 182 aa.

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(Predicted Aligned Error values between residue pairs)

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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	R	78.5	Confident	94.5	Very high	232 Å²	232	80.6 Å²	80.6	88%	0.875	40%	0.4	S	S	*	.				0	-58.6	0	-157.8	171.4	178	172.6	0.2	110.1	L3 L4 D5	R1-L3 PolarHBondContact O-N 2.63Å; R1-L4 WeakPolarHBondContact O-CB 3.36Å; R1-L4 PolarHBondContact O-N 3.08Å; R1-D5 WeakPolarHBondContact CG-OD2 3.3Å; R1-D5 PolarHBondContact O-N 2.87Å; R1-D5 VanDerWaalsContact O-N 3.07Å
2	C	92.4	Very high	94.8	Very high	95 Å²	95	81.9 Å²	81.9	64%	0.642	40%	0.404	S	S	*	.	H	α-helix	trans	-41.6	-56.9	173.9	-174.7	0	0	0	0	114.1	L4 D5 T6	C2-L4 VanDerWaalsContact C-N 3.32Å; C2-L4 PolarHBondContact O-N 3.01Å; C2-D5 PolarHBondContact O-N 3.36Å; C2-D5 VanDerWaalsContact O-N 3.09Å; C2-T6 PolarHBondContact O-N 3.17Å; C2-T6 PolarHBondContact O-OG1 2.89Å
3	L	92.1	Very high	95.1	Very high	30 Å²	30	81.1 Å²	81.1	16%	0.157	40%	0.398	C	S	.	.	H	α-helix	trans	-57.2	-37.7	178.4	-69.3	170	0	0	0	114.4	R1 F7 A44 I121	R1-L3 PolarHBondContact O-N 2.63Å; L3-F7 WeakPolarHBondContact O-CD2 3.31Å; L3-F7 PolarHBondContact O-N 2.93Å; L3-F7 VanDerWaalsContact O-N 3.14Å; L3-A44 HydrophobicContact CB-CB 4.47Å; L3-A44 HydrophobicContact CD1-CB 4.22Å; L3-I121 HydrophobicContact CB-CD1 3.87Å
4	L	95.3	Very high	95.3	Very high	72 Å²	72	79.3 Å²	79.3	38%	0.377	39%	0.388	S	S	.	.	H	α-helix	trans	-67.1	-44.4	176.8	-66	172.8	0	0	0	111	R1 C2 T6 F7 K8 V118 P119 I121	R1-L4 WeakPolarHBondContact O-CB 3.36Å; R1-L4 PolarHBondContact O-N 3.08Å; C2-L4 VanDerWaalsContact C-N 3.32Å; C2-L4 PolarHBondContact O-N 3.01Å; L4-T6 VanDerWaalsContact C-N 3.34Å; L4-F7 PolarHBondContact O-N 2.94Å; L4-K8 WeakPolarHBondContact O-CB 3.31Å; L4-K8 PolarHBondContact O-N 2.83Å; L4-V118 HydrophobicContact CD2-CG1 4.32Å; L4-P119 HydrophobicContact CD2-CG 4Å; L4-I121 HydrophobicContact CD1-CD1 4.36Å; L4-I121 HydrophobicContact CD2-CD1 3.47Å; L4-I121 VanDerWaalsContact CD2-CD1 3.47Å; L4-I121 HydrophobicContact CD2-CG1 4.18Å; L4-I121 HydrophobicContact CG-CD1 3.49Å; L4-I121 VanDerWaalsContact CG-CD1 3.49Å
5	D	96.3	Very high	95.4	Very high	84 Å²	84	77.3 Å²	77.3	45%	0.449	38%	0.379	S	S	.	.	H	α-helix	trans	-66.3	-39.2	-179.3	-60.2	-31.3	0	0	0	110.5	R1 C2 K8 H9	R1-D5 WeakPolarHBondContact CG-OD2 3.3Å; R1-D5 PolarHBondContact O-N 2.87Å; R1-D5 VanDerWaalsContact O-N 3.07Å; C2-D5 PolarHBondContact O-N 3.36Å; C2-D5 VanDerWaalsContact O-N 3.09Å; D5-K8 PolarHBondContact O-N 2.64Å; D5-H9 VanDerWaalsContact O-CB 3.27Å; D5-H9 WeakPolarHBondContact O-CB 3.36Å; D5-H9 PolarHBondContact O-N 3.04Å
6	T	96.4	Very high	95.6	Very high	68 Å²	68	80.8 Å²	80.8	42%	0.417	39%	0.392	S	S	.	.	H	α-helix	trans	-58.9	-51.8	174.2	-57.5	0	0	0	0	111.4	C2 L4 K8 H9 T10	C2-T6 PolarHBondContact O-N 3.17Å; C2-T6 PolarHBondContact O-OG1 2.89Å; L4-T6 VanDerWaalsContact C-N 3.34Å; T6-K8 VanDerWaalsContact C-N 3.33Å; T6-K8 PolarHBondContact O-N 2.71Å; T6-H9 PolarHBondContact O-N 3Å; T6-T10 WeakPolarHBondContact O-CB 3.2Å; T6-T10 PolarHBondContact O-N 3.12Å; T6-T10 PolarHBondContact O-OG1 3.26Å
7	F	97.4	Very high	95.7	Very high	9 Å²	9	82.1 Å²	82.1	4%	0.039	40%	0.397	C	S	.	.	H	α-helix	trans	-62.1	-42	-179	-87	-114.2	0	0	0	112.1	L3 L4 D11 A31 A44 L46 P119	L3-F7 WeakPolarHBondContact O-CD2 3.31Å; L3-F7 PolarHBondContact O-N 2.93Å; L3-F7 VanDerWaalsContact O-N 3.14Å; L4-F7 PolarHBondContact O-N 2.94Å; F7-D11 WeakPolarHBondContact O-CB 3.34Å; F7-D11 PolarHBondContact O-N 3.24Å; F7-A31 HydrophobicContact CE1-CB 3.71Å; F7-A31 HydrophobicContact CZ-CB 4.07Å; F7-A44 HydrophobicContact CE2-CB 3.77Å; F7-A44 HydrophobicContact CZ-CB 3.88Å; F7-L46 HydrophobicContact CD1-CB 4.17Å; F7-L46 HydrophobicContact CD1-CD2 3.99Å; F7-L46 HydrophobicContact CD1-CG 4.48Å; F7-L46 HydrophobicContact CE1-CB 3.69Å; F7-L46 HydrophobicContact CE1-CD2 4.17Å; F7-L46 HydrophobicContact CE1-CG 4.46Å; F7-P119 HydrophobicContact CB-CG 4.07Å; F7-P119 HydrophobicContact CD1-CB 3.85Å; F7-P119 HydrophobicContact CD1-CG 3.78Å; F7-P119 HydrophobicContact CD2-CG 4Å; F7-P119 HydrophobicContact CE1-CB 3.84Å; F7-P119 HydrophobicContact CE1-CG 4.17Å; F7-P119 HydrophobicContact CE2-CG 4.34Å; F7-P119 HydrophobicContact CG-CB 4.26Å; F7-P119 HydrophobicContact CG-CG 3.68Å; F7-P119 HydrophobicContact CZ-CB 4.21Å; F7-P119 HydrophobicContact CZ-CG 4.42Å
8	K	97.6	Very high	95.7	Very high	116 Å²	116	77.7 Å²	77.7	50%	0.504	38%	0.376	S	S	.	.	H	α-helix	trans	-60.3	-50.9	175	179.6	-176.9	170.5	-173.9	0	111.3	L4 D5 T6 D11 E12	L4-K8 WeakPolarHBondContact O-CB 3.31Å; L4-K8 PolarHBondContact O-N 2.83Å; D5-K8 PolarHBondContact O-N 2.64Å; T6-K8 VanDerWaalsContact C-N 3.33Å; T6-K8 PolarHBondContact O-N 2.71Å; K8-D11 PolarHBondContact O-N 2.78Å; K8-E12 WeakPolarHBondContact CE-OE1 3.42Å; K8-E12 IonicContact NZ-OE1 3.79Å; K8-E12 WeakPolarHBondContact O-CG 3.24Å; K8-E12 PolarHBondContact O-N 3.31Å
9	H	98	Very high	95.7	Very high	110 Å²	110	78.3 Å²	78.3	51%	0.509	39%	0.389	S	S	.	.	H	α-helix	trans	-64.4	-42.1	-177.2	-170.5	67.6	0	0	0	111.9	D5 T6 D11 E12 E13	D5-H9 VanDerWaalsContact O-CB 3.27Å; D5-H9 WeakPolarHBondContact O-CB 3.36Å; D5-H9 PolarHBondContact O-N 3.04Å; T6-H9 PolarHBondContact O-N 3Å; H9-D11 VanDerWaalsContact C-N 3.34Å; H9-D11 PolarHBondContact O-N 2.8Å; H9-E12 PolarHBondContact O-N 2.81Å; H9-E13 WeakPolarHBondContact O-CB 3.38Å; H9-E13 PolarHBondContact O-N 2.88Å
10	T	97.8	Very high	95.7	Very high	62 Å²	62	78.4 Å²	78.4	38%	0.38	40%	0.398	S	S	.	.	H	α-helix	trans	-60	-43	175.3	-60.7	0	0	0	0	111.7	T6 F14 I105	T6-T10 WeakPolarHBondContact O-CB 3.2Å; T6-T10 PolarHBondContact O-N 3.12Å; T6-T10 PolarHBondContact O-OG1 3.26Å; T10-F14 VanDerWaalsContact O-CB 3.23Å; T10-F14 WeakPolarHBondContact O-CB 3.34Å; T10-F14 PolarHBondContact O-N 3.49Å; T10-I105 HydrophobicContact CG2-CD1 4.03Å; T10-I105 HydrophobicContact CG2-CG2 4.4Å
11	D	98.3	Very high	95.7	Very high	9 Å²	9	78.4 Å²	78.4	5%	0.048	40%	0.396	C	S	.	.	H	α-helix	trans	-66.5	-43.6	177.7	-170.9	57.8	0	0	0	112.3	F7 K8 H9 F14 L15 I105 G106 K111 S117	F7-D11 WeakPolarHBondContact O-CB 3.34Å; F7-D11 PolarHBondContact O-N 3.24Å; K8-D11 PolarHBondContact O-N 2.78Å; H9-D11 VanDerWaalsContact C-N 3.34Å; H9-D11 PolarHBondContact O-N 2.8Å; D11-F14 PolarHBondContact O-N 3.31Å; D11-L15 WeakPolarHBondContact O-CB 3.4Å; D11-L15 WeakPolarHBondContact O-CG 3.42Å; D11-L15 PolarHBondContact O-N 2.94Å; D11-I105 HydrophobicContact CB-CG2 4.47Å; D11-I105 WeakPolarHBondContact OD1-CA 3.46Å; D11-G106 PolarHBondContact OD1-N 3.47Å; D11-K111 IonicContact OD1-NZ 2.64Å; D11-K111 PolarHBondContact OD1-NZ 2.91Å; D11-K111 IonicContact OD2-NZ 3.94Å; D11-K111 PolarHBondContact OD2-NZ 3.14Å; D11-S117 VanDerWaalsContact CB-CB 3.5Å; D11-S117 WeakPolarHBondContact OD2-CB 3.47Å; D11-S117 PolarHBondContact OD2-OG 2.86Å
12	E	98.2	Very high	96.5	Very high	96 Å²	96	77 Å²	77	45%	0.449	40%	0.396	S	S	.	.	H	α-helix	trans	-60.8	-47.2	177.1	-73.6	173.6	169.1	0	0	111.7	K8 H9 K16	K8-E12 WeakPolarHBondContact CE-OE1 3.42Å; K8-E12 IonicContact NZ-OE1 3.79Å; K8-E12 WeakPolarHBondContact O-CG 3.24Å; K8-E12 PolarHBondContact O-N 3.31Å; H9-E12 PolarHBondContact O-N 2.81Å; E12-K16 WeakPolarHBondContact O-CB 3.33Å; E12-K16 PolarHBondContact O-N 2.92Å
13	E	98.1	Very high	96.5	Very high	71 Å²	71	78 Å²	78	33%	0.332	40%	0.402	S	S	.	.	H	α-helix	trans	-67.6	-41.8	178.4	-74.8	-60.8	125	0	0	112.1	H9 K16 Q17	H9-E13 WeakPolarHBondContact O-CB 3.38Å; H9-E13 PolarHBondContact O-N 2.88Å; E13-K16 PolarHBondContact O-N 3.3Å; E13-Q17 WeakPolarHBondContact O-CG 3.5Å; E13-Q17 PolarHBondContact O-N 2.95Å
14	F	97.6	Very high	96.6	Very high	56 Å²	56	79.2 Å²	79.2	25%	0.246	42%	0.416	C	S	.	.	H	α-helix	trans	-61.6	-47.3	175.9	178.1	-94.2	0	0	0	111.5	T10 D11 K16 Q17 A18 I105 G106	T10-F14 VanDerWaalsContact O-CB 3.23Å; T10-F14 WeakPolarHBondContact O-CB 3.34Å; T10-F14 PolarHBondContact O-N 3.49Å; D11-F14 PolarHBondContact O-N 3.31Å; F14-K16 VanDerWaalsContact C-N 3.3Å; F14-K16 PolarHBondContact O-N 3.22Å; F14-Q17 PolarHBondContact O-N 2.91Å; F14-A18 HydrophobicContact CD1-CB 4.5Å; F14-A18 HydrophobicContact CE1-CB 4.19Å; F14-A18 VanDerWaalsContact O-CB 3.25Å; F14-A18 WeakPolarHBondContact O-CB 3.28Å; F14-A18 PolarHBondContact O-N 2.74Å; F14-I105 HydrophobicContact CB-CG2 4.32Å; F14-I105 HydrophobicContact CD1-CG2 4.49Å; F14-I105 HydrophobicContact CG-CG2 4.41Å; F14-G106 VanDerWaalsContact CD1-CA 3.48Å; F14-G106 VanDerWaalsContact CE1-CA 3.46Å
15	L	97.6	Very high	96.6	Very high	49 Å²	49	81.5 Å²	81.5	26%	0.257	42%	0.42	S	S	.	.	H	α-helix	trans	-62.6	-38	179.5	-72.2	173.3	0	0	0	112.1	D11 S19 G108 K111	D11-L15 WeakPolarHBondContact O-CB 3.4Å; D11-L15 WeakPolarHBondContact O-CG 3.42Å; D11-L15 PolarHBondContact O-N 2.94Å; L15-S19 WeakPolarHBondContact O-CB 3.33Å; L15-S19 PolarHBondContact O-N 2.83Å; L15-S19 PolarHBondContact O-OG 3.28Å; L15-G108 VanDerWaalsContact CD2-CA 3.45Å; L15-K111 HydrophobicContact CD1-CG 4.44Å
16	K	97.8	Very high	96.6	Very high	134 Å²	134	84 Å²	84	58%	0.583	43%	0.427	S	S	*	.	H	α-helix	trans	-60.9	-49.3	174.1	-176.9	-177.7	176.3	-172.2	0	110.9	E12 E13 F14 S19 S20	E12-K16 WeakPolarHBondContact O-CB 3.33Å; E12-K16 PolarHBondContact O-N 2.92Å; E13-K16 PolarHBondContact O-N 3.3Å; F14-K16 VanDerWaalsContact C-N 3.3Å; F14-K16 PolarHBondContact O-N 3.22Å; K16-S19 PolarHBondContact O-N 3Å; K16-S19 PolarHBondContact O-OG 2.82Å; K16-S20 PolarHBondContact O-N 2.77Å
17	Q	96.9	Very high	96.5	Very high	102 Å²	102	84.2 Å²	84.2	48%	0.477	43%	0.425	S	S	.	.	H	α-helix	trans	-62.1	-50.3	177.2	-69.2	178.3	17.7	0	0	111.3	E13 F14 S19 S20 Q21	E13-Q17 WeakPolarHBondContact O-CG 3.5Å; E13-Q17 PolarHBondContact O-N 2.95Å; F14-Q17 PolarHBondContact O-N 2.91Å; Q17-S19 VanDerWaalsContact C-N 3.27Å; Q17-S19 PolarHBondContact O-N 2.83Å; Q17-S20 PolarHBondContact O-N 3.05Å; Q17-S20 PolarHBondContact O-OG 3.48Å; Q17-Q21 WeakPolarHBondContact O-CG 3.48Å
18	A	95.9	Very high	96.5	Very high	4 Å²	4	84.1 Å²	84.1	3%	0.033	43%	0.427	C	S	.	.	H	α-helix	trans	-53.9	-42	179.2	0	0	0	0	0	112.6	F14 S20 Q21 W25	F14-A18 HydrophobicContact CD1-CB 4.5Å; F14-A18 HydrophobicContact CE1-CB 4.19Å; F14-A18 VanDerWaalsContact O-CB 3.25Å; F14-A18 WeakPolarHBondContact O-CB 3.28Å; F14-A18 PolarHBondContact O-N 2.74Å; A18-S20 VanDerWaalsContact C-N 3.31Å; A18-S20 PolarHBondContact O-N 2.87Å; A18-Q21 PolarHBondContact O-N 2.98Å; A18-W25 HydrophobicContact CB-CB 3.88Å; A18-W25 HydrophobicContact CB-CE3 4.39Å; A18-W25 PolarHBondContact O-N 2.65Å; A18-W25 VanDerWaalsContact O-N 3.15Å
19	S	95.9	Very high	96.4	Very high	88 Å²	88	80 Å²	80	62%	0.615	41%	0.413	S	S	*	.	H	α-helix	trans	-70.4	-23	179.3	73.9	0	0	0	0	114.4	L15 K16 Q17 Q21	L15-S19 WeakPolarHBondContact O-CB 3.33Å; L15-S19 PolarHBondContact O-N 2.83Å; L15-S19 PolarHBondContact O-OG 3.28Å; K16-S19 PolarHBondContact O-N 3Å; K16-S19 PolarHBondContact O-OG 2.82Å; Q17-S19 VanDerWaalsContact C-N 3.27Å; Q17-S19 PolarHBondContact O-N 2.83Å; S19-Q21 VanDerWaalsContact C-N 3.35Å
20	S	96.7	Very high	96.3	Very high	81 Å²	81	75 Å²	75	57%	0.566	39%	0.39	S	S	*	.	H	α-helix	trans	-81.3	-13.9	178.8	70.3	0	0	0	0	113.9	K16 Q17 A18	K16-S20 PolarHBondContact O-N 2.77Å; Q17-S20 PolarHBondContact O-N 3.05Å; Q17-S20 PolarHBondContact O-OG 3.48Å; A18-S20 VanDerWaalsContact C-N 3.31Å; A18-S20 PolarHBondContact O-N 2.87Å
21	Q	95.9	Very high	96.3	Very high	78 Å²	78	72.3 Å²	72.3	36%	0.364	38%	0.375	S	S	.	.	S	Bend	trans	-80.1	156.6	-178.1	-58.7	-64.1	-25.9	0	0	111.9	Q17 A18 S19 P23 A24 W25	Q17-Q21 WeakPolarHBondContact O-CG 3.48Å; A18-Q21 PolarHBondContact O-N 2.98Å; S19-Q21 VanDerWaalsContact C-N 3.35Å; Q21-P23 CarbonylContact C-O 3.59Å; Q21-P23 VanDerWaalsContact C-O 3.31Å; Q21-P23 CarbonylContact O-C 3.55Å; Q21-P23 VanDerWaalsContact O-C 3.3Å; Q21-A24 WeakPolarHBondContact O-CA 3.44Å; Q21-A24 PolarHBondContact O-N 2.82Å; Q21-A24 VanDerWaalsContact O-N 3.15Å; Q21-W25 HydrophobicContact CB-CD2 4.23Å; Q21-W25 HydrophobicContact CB-CG 4.26Å; Q21-W25 HydrophobicContact CB-CZ2 4.48Å; Q21-W25 HydrophobicContact CG-CD2 3.74Å; Q21-W25 VanDerWaalsContact CG-CE2 3.48Å; Q21-W25 HydrophobicContact CG-CE3 4.1Å; Q21-W25 HydrophobicContact CG-CG 4.27Å; Q21-W25 HydrophobicContact CG-CH2 4Å; Q21-W25 HydrophobicContact CG-CZ2 3.63Å; Q21-W25 HydrophobicContact CG-CZ3 4.21Å
22	K	94.7	Very high	96.2	Very high	202 Å²	202	72 Å²	72	88%	0.878	37%	0.373	S	S	*	.	S	Bend	trans	-131.1	106.8	177.9	-67.9	-175.6	-177.2	177.9	0	110.1
23	P	92.6	Very high	95.9	Very high	118 Å²	118	68.4 Å²	68.4	77%	0.766	36%	0.358	S	S	*	.	S	Bend	cis	-66.1	155.6	-2.7	29.7	-35.2	0	0	0	112.7	Q21 W25	Q21-P23 CarbonylContact C-O 3.59Å; Q21-P23 VanDerWaalsContact C-O 3.31Å; Q21-P23 CarbonylContact O-C 3.55Å; Q21-P23 VanDerWaalsContact O-C 3.3Å; P23-W25 PolarHBondContact O-N 3.46Å
24	A	94.6	Very high	95.7	Very high	55 Å²	55	65.4 Å²	65.4	46%	0.455	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-63.7	135.4	176.3	0	0	0	0	0	110.1	Q21	Q21-A24 WeakPolarHBondContact O-CA 3.44Å; Q21-A24 PolarHBondContact O-N 2.82Å; Q21-A24 VanDerWaalsContact O-N 3.15Å
25	W	95.6	Very high	95.5	Very high	120 Å²	120	66.2 Å²	66.2	46%	0.455	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-70.3	138.4	177	-60.4	-18.8	0	0	0	110.1	A18 Q21 P23 D27	A18-W25 HydrophobicContact CB-CB 3.88Å; A18-W25 HydrophobicContact CB-CE3 4.39Å; A18-W25 PolarHBondContact O-N 2.65Å; A18-W25 VanDerWaalsContact O-N 3.15Å; Q21-W25 HydrophobicContact CB-CD2 4.23Å; Q21-W25 HydrophobicContact CB-CG 4.26Å; Q21-W25 HydrophobicContact CB-CZ2 4.48Å; Q21-W25 HydrophobicContact CG-CD2 3.74Å; Q21-W25 VanDerWaalsContact CG-CE2 3.48Å; Q21-W25 HydrophobicContact CG-CE3 4.1Å; Q21-W25 HydrophobicContact CG-CG 4.27Å; Q21-W25 HydrophobicContact CG-CH2 4Å; Q21-W25 HydrophobicContact CG-CZ2 3.63Å; Q21-W25 HydrophobicContact CG-CZ3 4.21Å; P23-W25 PolarHBondContact O-N 3.46Å; W25-D27 WeakPolarHBondContact CB-OD2 3.48Å
26	K	95.1	Very high	95.2	Very high	135 Å²	135	64.8 Å²	64.8	59%	0.587	35%	0.346	S	S	*	.			trans	-115.9	2.8	179.4	-67.9	-177.5	173.5	-168.9	0	112.2
27	D	95.3	Very high	94.9	Very high	73 Å²	73	61.4 Å²	61.4	39%	0.39	34%	0.337	S	S	.	.			trans	-64.4	153.2	-173.9	-49.9	-103.9	0	0	0	111.1	W25 D107	W25-D27 WeakPolarHBondContact CB-OD2 3.48Å; D27-D107 PolarHBondContact O-N 2.93Å
28	G	96.1	Very high	94.7	Very high	8 Å²	8	63.3 Å²	63.3	8%	0.082	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	163.1	175.7	0	0	0	0	0	110.7	I105	G28-I105 CarbonylContact C-O 3.53Å; G28-I105 WeakPolarHBondContact CA-O 3.32Å
29	S	96.6	Very high	94.5	Very high	29 Å²	29	67.9 Å²	67.9	20%	0.203	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	147.7	177	-156.9	0	0	0	0	112.2	S104 I105 A179	S29-S104 WeakPolarHBondContact O-CA 2.67Å; S29-S104 WeakPolarHBondContact O-CB 3.16Å; S29-I105 PolarHBondContact N-O 2.82Å; S29-I105 PolarHBondContact O-N 2.82Å; S29-A179 PolarHBondContact OG-O 2.73Å
30	T	96.3	Very high	94.4	Very high	5 Å²	5	66.2 Å²	66.2	3%	0.031	36%	0.358	C	S	.	.			trans	-74.6	161.1	164.4	63.7	0	0	0	0	109.7	L46 D48 S49 V101	T30-L46 CarbonylContact C-O 3.56Å; T30-L46 VanDerWaalsContact CA-O 3.31Å; T30-L46 WeakPolarHBondContact CA-O 3.42Å; T30-L46 WeakPolarHBondContact CB-O 3.46Å; T30-D48 WeakPolarHBondContact CG2-OD1 3.44Å; T30-S49 PolarHBondContact OG1-OG 3.41Å; T30-V101 HydrophobicContact CG2-CG1 4.13Å
31	A	95.8	Very high	94.4	Very high	6 Å²	6	62.4 Å²	62.4	5%	0.05	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	115.6	173.7	0	0	0	0	0	110	F7 N45 L46 I105	F7-A31 HydrophobicContact CE1-CB 3.71Å; F7-A31 HydrophobicContact CZ-CB 4.07Å; A31-N45 CarbonylContact O-C 3.52Å; A31-L46 HydrophobicContact CB-CB 4.43Å; A31-L46 PolarHBondContact N-O 3.07Å; A31-L46 WeakPolarHBondContact O-CB 3.47Å; A31-L46 PolarHBondContact O-N 3.09Å; A31-I105 HydrophobicContact CB-CD1 4.12Å
32	T	96.3	Very high	94.4	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.012	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119.2	167.9	-50.1	0	0	0	0	108.1	A44 N45 S49 A51 L135	T32-A44 WeakPolarHBondContact CA-O 3.37Å; T32-N45 WeakPolarHBondContact CB-OD1 3.49Å; T32-N45 PolarHBondContact OG1-OD1 3.07Å; T32-S49 WeakPolarHBondContact OG1-CB 3.43Å; T32-A51 HydrophobicContact CG2-CB 3.83Å; T32-L135 HydrophobicContact CG2-CD2 4.2Å
33	C	93.8	Very high	94.5	Very high	20 Å²	20	52 Å²	52	14%	0.135	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.4	179.4	-58.6	0	0	0	0	109.8	I43 A44	C33-I43 CarbonylContact O-C 3.31Å; C33-I43 WeakPolarHBondContact O-CA 3.13Å; C33-A44 PolarHBondContact N-O 3.46Å; C33-A44 PolarHBondContact O-N 3.23Å
34	V	93.9	Very high	94.7	Very high	8 Å²	8	46.4 Å²	46.4	5%	0.048	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.5	169.6	175.5	0	0	0	0	107.4	L41 Y42 I43 A51 I133 L135	V34-L41 HydrophobicContact CG1-CB 4.47Å; V34-L41 HydrophobicContact CG1-CD2 4.04Å; V34-Y42 WeakPolarHBondContact CA-O 3.38Å; V34-I43 HydrophobicContact CG2-CG1 4.02Å; V34-I43 HydrophobicContact CG2-CG2 4.31Å; V34-A51 HydrophobicContact CG2-CB 4.12Å; V34-I133 HydrophobicContact CG1-CD1 4Å; V34-I133 HydrophobicContact CG2-CG2 4.4Å; V34-L135 HydrophobicContact CB-CD2 4.43Å; V34-L135 HydrophobicContact CG2-CD1 4.42Å; V34-L135 HydrophobicContact CG2-CD2 3.86Å; V34-L135 HydrophobicContact CG2-CG 4.31Å
35	L	92.9	Very high	94.8	Very high	74 Å²	74	43.8 Å²	43.8	39%	0.387	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.3	173.2	174.2	68.6	0	0	0	107.8	V37 Y42	L35-V37 HydrophobicContact CD1-CG2 4.41Å; L35-V37 HydrophobicContact CD2-CG2 4.09Å; L35-V37 HydrophobicContact CG-CG2 3.94Å; L35-Y42 PolarHBondContact N-O 3.43Å; L35-Y42 PolarHBondContact O-N 2.99Å
36	A	91.7	Very high	94.9	Very high	18 Å²	18	38.1 Å²	38.1	15%	0.149	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124.8	173.5	0	0	0	0	0	109.6	L41 W170	A36-L41 HydrophobicContact CB-CD2 3.74Å; A36-W170 HydrophobicContact CB-CB 3.69Å; A36-W170 WeakPolarHBondContact CB-O 3.39Å
37	V	91.4	Very high	95	Very high	64 Å²	64	31.7 Å²	31.7	39%	0.388	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	119	173.7	-176.4	0	0	0	0	106.7	L35 N39 I40 Y42	L35-V37 HydrophobicContact CD1-CG2 4.41Å; L35-V37 HydrophobicContact CD2-CG2 4.09Å; L35-V37 HydrophobicContact CG-CG2 3.94Å; V37-N39 PolarHBondContact O-N 2.89Å; V37-I40 PolarHBondContact N-O 2.99Å; V37-I40 PolarHBondContact O-N 2.88Å; V37-Y42 HydrophobicContact CB-CE2 4.07Å; V37-Y42 HydrophobicContact CG2-CD2 4.36Å; V37-Y42 HydrophobicContact CG2-CE2 4.23Å
38	D	91.5	Very high	95	Very high	142 Å²	142	28.8 Å²	28.8	76%	0.759	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	-122	-169.2	-52.9	-45.2	0	0	0	110.6
39	N	91.8	Very high	95	Very high	100 Å²	100	28.4 Å²	28.4	54%	0.535	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	20.2	177.4	-66	-16.6	0	0	0	112.6	V37 Q125 L126	V37-N39 PolarHBondContact O-N 2.89Å; N39-Q125 VanDerWaalsContact CB-NE2 3.34Å; N39-Q125 PolarHBondContact O-NE2 3.15Å; N39-L126 HydrophobicContact CB-CB 4.44Å; N39-L126 WeakPolarHBondContact O-CB 3.42Å; N39-L126 PolarHBondContact O-N 3.18Å
40	I	94.9	Very high	94.9	Very high	53 Å²	53	29.4 Å²	29.4	27%	0.272	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.8	-178.5	-54.9	179	0	0	0	109.8	V37 Y42	V37-I40 PolarHBondContact N-O 2.99Å; V37-I40 PolarHBondContact O-N 2.88Å; I40-Y42 HydrophobicContact CB-CE2 3.96Å; I40-Y42 HydrophobicContact CG2-CD2 4.15Å; I40-Y42 HydrophobicContact CG2-CE1 4.5Å; I40-Y42 HydrophobicContact CG2-CE2 3.62Å
41	L	95.3	Very high	94.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	132.9	167.9	-56	177	0	0	0	110.1	V34 A36 I43 L68 R123 C124 L126 I133	V34-L41 HydrophobicContact CG1-CB 4.47Å; V34-L41 HydrophobicContact CG1-CD2 4.04Å; A36-L41 HydrophobicContact CB-CD2 3.74Å; L41-I43 HydrophobicContact CB-CD1 3.85Å; L41-L68 HydrophobicContact CD1-CD1 3.93Å; L41-R123 CarbonylContact O-C 3.54Å; L41-R123 VanDerWaalsContact O-CA 3.24Å; L41-R123 WeakPolarHBondContact O-CA 3.27Å; L41-C124 HydrophobicContact CB-CB 4.23Å; L41-C124 HydrophobicContact CD1-CB 4.42Å; L41-C124 PolarHBondContact N-O 2.83Å; L41-C124 PolarHBondContact O-N 3.26Å; L41-L126 HydrophobicContact CD1-CD2 3.63Å; L41-L126 HydrophobicContact CD1-CG 4.29Å; L41-L126 HydrophobicContact CD2-CD1 3.97Å; L41-L126 HydrophobicContact CD2-CD2 4.15Å; L41-L126 HydrophobicContact CD2-CG 4.17Å; L41-L126 HydrophobicContact CG-CD1 4.22Å; L41-L126 HydrophobicContact CG-CD2 3.77Å; L41-L126 HydrophobicContact CG-CG 3.86Å; L41-I133 HydrophobicContact CD1-CD1 3.42Å; L41-I133 VanDerWaalsContact CD1-CD1 3.42Å; L41-I133 HydrophobicContact CD1-CG1 4.25Å; L41-I133 HydrophobicContact CD2-CD1 3.75Å; L41-I133 HydrophobicContact CG-CD1 4.21Å
42	Y	96.1	Very high	95	Very high	60 Å²	60	29 Å²	29	24%	0.235	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	114.9	168.4	-61.4	-99.1	0	0	0	108.1	V34 L35 V37 I40 R123	V34-Y42 WeakPolarHBondContact CA-O 3.38Å; L35-Y42 PolarHBondContact N-O 3.43Å; L35-Y42 PolarHBondContact O-N 2.99Å; V37-Y42 HydrophobicContact CB-CE2 4.07Å; V37-Y42 HydrophobicContact CG2-CD2 4.36Å; V37-Y42 HydrophobicContact CG2-CE2 4.23Å; I40-Y42 HydrophobicContact CB-CE2 3.96Å; I40-Y42 HydrophobicContact CG2-CD2 4.15Å; I40-Y42 HydrophobicContact CG2-CE1 4.5Å; I40-Y42 HydrophobicContact CG2-CE2 3.62Å; Y42-R123 HydrophobicContact CD1-CG 3.74Å; Y42-R123 HydrophobicContact CE1-CG 3.9Å; Y42-R123 VanDerWaalsContact CE1-NE 3.29Å
43	I	96.8	Very high	95	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.9	-176.5	-54.7	95.9	0	0	0	107.8	C33 V34 L41 A51 L68 I121 R122 C124	C33-I43 CarbonylContact O-C 3.31Å; C33-I43 WeakPolarHBondContact O-CA 3.13Å; V34-I43 HydrophobicContact CG2-CG1 4.02Å; V34-I43 HydrophobicContact CG2-CG2 4.31Å; L41-I43 HydrophobicContact CB-CD1 3.85Å; I43-A51 HydrophobicContact CG2-CB 4.04Å; I43-L68 HydrophobicContact CD1-CB 4.05Å; I43-L68 HydrophobicContact CD1-CD1 4.08Å; I43-L68 HydrophobicContact CD1-CD2 4.45Å; I43-L68 HydrophobicContact CD1-CG 4.45Å; I43-L68 HydrophobicContact CG1-CB 3.92Å; I43-L68 HydrophobicContact CG1-CD1 4.06Å; I43-L68 HydrophobicContact CG2-CB 4.43Å; I43-I121 CarbonylContact O-C 3.52Å; I43-I121 VanDerWaalsContact O-CA 3.24Å; I43-I121 WeakPolarHBondContact O-CA 3.34Å; I43-R122 PolarHBondContact N-O 3.03Å; I43-R122 PolarHBondContact O-N 3.43Å; I43-C124 HydrophobicContact CD1-CB 4.15Å
44	A	97.2	Very high	95.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	118.5	171	0	0	0	0	0	108.6	L3 F7 T32 C33 P119 D120 I121	L3-A44 HydrophobicContact CB-CB 4.47Å; L3-A44 HydrophobicContact CD1-CB 4.22Å; F7-A44 HydrophobicContact CE2-CB 3.77Å; F7-A44 HydrophobicContact CZ-CB 3.88Å; T32-A44 WeakPolarHBondContact CA-O 3.37Å; C33-A44 PolarHBondContact N-O 3.46Å; C33-A44 PolarHBondContact O-N 3.23Å; A44-P119 HydrophobicContact CB-CB 4.18Å; A44-P119 HydrophobicContact CB-CG 4.37Å; A44-D120 CarbonylContact C-O 3.59Å; A44-D120 WeakPolarHBondContact CA-O 3.24Å; A44-I121 HydrophobicContact CB-CG1 4.27Å
45	N	97.6	Very high	95.2	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.4	178.9	-166.2	47.7	0	0	0	112.5	A31 T32 G47 S49 K70 H72 P119 D120	A31-N45 CarbonylContact O-C 3.52Å; T32-N45 WeakPolarHBondContact CB-OD1 3.49Å; T32-N45 PolarHBondContact OG1-OD1 3.07Å; N45-G47 PolarHBondContact ND2-O 3.11Å; N45-S49 PolarHBondContact ND2-O 2.91Å; N45-S49 VanDerWaalsContact ND2-O 3.11Å; N45-S49 PolarHBondContact OD1-O 3.4Å; N45-K70 PolarHBondContact ND2-O 3.31Å; N45-H72 PolarHBondContact O-CE1 3.39Å; N45-P119 CarbonylContact O-C 3.3Å; N45-P119 VanDerWaalsContact O-CA 3.23Å; N45-P119 WeakPolarHBondContact O-CA 3.45Å; N45-P119 WeakPolarHBondContact O-CB 3.17Å; N45-D120 PolarHBondContact N-O 2.73Å; N45-D120 PolarHBondContact O-N 3.08Å
46	L	97.4	Very high	95.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	114.8	177	-168.2	84.4	0	0	0	109	F7 T30 A31 R103 I105 S117 V118 P119	F7-L46 HydrophobicContact CD1-CB 4.17Å; F7-L46 HydrophobicContact CD1-CD2 3.99Å; F7-L46 HydrophobicContact CD1-CG 4.48Å; F7-L46 HydrophobicContact CE1-CB 3.69Å; F7-L46 HydrophobicContact CE1-CD2 4.17Å; F7-L46 HydrophobicContact CE1-CG 4.46Å; T30-L46 CarbonylContact C-O 3.56Å; T30-L46 VanDerWaalsContact CA-O 3.31Å; T30-L46 WeakPolarHBondContact CA-O 3.42Å; T30-L46 WeakPolarHBondContact CB-O 3.46Å; A31-L46 HydrophobicContact CB-CB 4.43Å; A31-L46 PolarHBondContact N-O 3.07Å; A31-L46 WeakPolarHBondContact O-CB 3.47Å; A31-L46 PolarHBondContact O-N 3.09Å; L46-R103 HydrophobicContact CD1-CB 3.62Å; L46-R103 HydrophobicContact CD1-CG 4.5Å; L46-R103 HydrophobicContact CG-CB 3.94Å; L46-I105 HydrophobicContact CD2-CG1 3.71Å; L46-S117 VanDerWaalsContact CD1-C 3.41Å; L46-S117 WeakPolarHBondContact CD1-O 3.25Å; L46-V118 VanDerWaalsContact CD1-C 3.5Å; L46-V118 WeakPolarHBondContact CD1-O 3.32Å; L46-P119 HydrophobicContact CB-CB 4.36Å; L46-P119 HydrophobicContact CD1-CB 4.35Å
47	G	97.2	Very high	95.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	97.1	-156.7	-173.5	0	0	0	0	0	113.1	N45 H72 R103	N45-G47 PolarHBondContact ND2-O 3.11Å; G47-H72 WeakPolarHBondContact O-CB 3.25Å; G47-H72 PolarHBondContact O-N 3.25Å; G47-H72 PolarHBondContact O-ND1 3.42Å; G47-R103 WeakPolarHBondContact CA-O 3.44Å; G47-R103 PolarHBondContact N-O 2.76Å
48	D	95.5	Very high	95.6	Very high	12 Å²	12	34 Å²	34	6%	0.064	16%	0.162	C	C	.	.	S	Bend	trans	-105.5	2.4	-170.9	61	-3.1	0	0	0	114.3	T30 V101	T30-D48 WeakPolarHBondContact CG2-OD1 3.44Å; D48-V101 HydrophobicContact CB-CG1 4.2Å
49	S	95.1	Very high	95.7	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.007	17%	0.167	C	C	.	.			trans	-65.6	156.4	164.9	-58.3	0	0	0	0	110.6	T30 T32 N45	T30-S49 PolarHBondContact OG1-OG 3.41Å; T32-S49 WeakPolarHBondContact OG1-CB 3.43Å; N45-S49 PolarHBondContact ND2-O 2.91Å; N45-S49 VanDerWaalsContact ND2-O 3.11Å; N45-S49 PolarHBondContact OD1-O 3.4Å
50	R	94.9	Very high	95.8	Very high	50 Å²	50	34.2 Å²	34.2	19%	0.189	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	147.6	-172.5	-47.3	-179.3	-174.7	178.7	-6.8	112.7	I52 S69 E71 L135 A136 F141	R50-I52 HydrophobicContact CB-CD1 4.47Å; R50-S69 WeakPolarHBondContact CA-OG 3.42Å; R50-E71 HydrophobicContact CG-CG 3.89Å; R50-E71 IonicContact CZ-OE1 3.97Å; R50-E71 IonicContact CZ-OE2 3.85Å; R50-E71 VanDerWaalsContact CZ-OE2 3.29Å; R50-E71 IonicContact NE-OE1 2.89Å; R50-E71 PolarHBondContact NE-OE1 3.28Å; R50-E71 IonicContact NE-OE2 3.29Å; R50-E71 PolarHBondContact NE-OE2 3.42Å; R50-E71 VanDerWaalsContact NE-OE2 3.08Å; R50-E71 IonicContact NH1-OE1 2.84Å; R50-E71 IonicContact NH2-OE1 2.98Å; R50-E71 PolarHBondContact NH2-OE1 3.18Å; R50-E71 IonicContact NH2-OE2 2.7Å; R50-E71 PolarHBondContact NH2-OE2 2.91Å; R50-L135 WeakPolarHBondContact O-CA 3.47Å; R50-A136 PolarHBondContact N-O 2.92Å; R50-A136 PolarHBondContact O-N 3.22Å; R50-A136 VanDerWaalsContact O-N 3.07Å; R50-F141 HydrophobicContact CB-CD2 3.94Å; R50-F141 HydrophobicContact CB-CE2 3.56Å; R50-F141 HydrophobicContact CB-CZ 4.11Å; R50-F141 HydrophobicContact CG-CD2 3.82Å; R50-F141 HydrophobicContact CG-CE2 4Å; R50-F141 HydrophobicContact CG-CG 4.45Å
51	A	96.4	Very high	95.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127	166.3	0	0	0	0	0	109.6	T32 V34 I43 L68 S69 L134 L135	T32-A51 HydrophobicContact CG2-CB 3.83Å; V34-A51 HydrophobicContact CG2-CB 4.12Å; I43-A51 HydrophobicContact CG2-CB 4.04Å; A51-L68 HydrophobicContact CB-CB 4.11Å; A51-L68 WeakPolarHBondContact O-CB 3.48Å; A51-L68 PolarHBondContact O-N 2.82Å; A51-S69 PolarHBondContact N-OG 2.79Å; A51-L134 CarbonylContact C-O 3.59Å; A51-L134 WeakPolarHBondContact CA-O 3.46Å; A51-L135 HydrophobicContact CB-CG 4.47Å
52	I	97.2	Very high	95.7	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132	-176.2	-57.4	-59.6	0	0	0	108.9	R50 A65 L66 I133 L134 F141 P146 V150	R50-I52 HydrophobicContact CB-CD1 4.47Å; I52-A65 HydrophobicContact CG2-CB 3.6Å; I52-L66 CarbonylContact C-O 3.53Å; I52-L66 WeakPolarHBondContact CA-O 3.39Å; I52-I133 CarbonylContact O-C 3.48Å; I52-I133 WeakPolarHBondContact O-CA 3.49Å; I52-L134 HydrophobicContact CB-CB 4.32Å; I52-L134 PolarHBondContact N-O 3.3Å; I52-L134 PolarHBondContact O-N 3.37Å; I52-F141 HydrophobicContact CG1-CE1 4.03Å; I52-F141 HydrophobicContact CG1-CZ 3.81Å; I52-P146 HydrophobicContact CD1-CB 4.09Å; I52-P146 HydrophobicContact CD1-CG 4.23Å; I52-P146 HydrophobicContact CG1-CB 4.33Å; I52-P146 HydrophobicContact CG2-CB 4.31Å; I52-V150 HydrophobicContact CG2-CG2 4.06Å
53	L	97.1	Very high	95.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.9	175.7	173.7	63.5	0	0	0	110	L66 L68 D130 I133	L53-L66 HydrophobicContact CB-CB 4.25Å; L53-L66 HydrophobicContact CD2-CD1 4.47Å; L53-L66 PolarHBondContact N-O 3.21Å; L53-L66 PolarHBondContact O-N 2.82Å; L53-L68 HydrophobicContact CB-CD1 3.81Å; L53-L68 HydrophobicContact CB-CD2 3.9Å; L53-L68 HydrophobicContact CB-CG 3.78Å; L53-L68 HydrophobicContact CD2-CD2 4.11Å; L53-D130 HydrophobicContact CD1-CB 4.04Å; L53-D130 WeakPolarHBondContact CD2-OD1 3.45Å; L53-I133 HydrophobicContact CD1-CG1 3.93Å
54	C	96.4	Very high	95.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	115.4	167.1	176.9	0	0	0	0	109.1	R131 F132 V150	C54-R131 HydrophobicContact CB-CB 4.33Å; C54-R131 PolarHBondContact O-N 3.05Å; C54-F132 HydrophobicContact CB-CD1 3.81Å; C54-F132 HydrophobicContact CB-CD2 3.94Å; C54-F132 HydrophobicContact CB-CE1 3.55Å; C54-F132 HydrophobicContact CB-CE2 3.68Å; C54-F132 HydrophobicContact CB-CG 4Å; C54-F132 HydrophobicContact CB-CZ 3.48Å; C54-F132 VanDerWaalsContact CB-CZ 3.48Å; C54-F132 PolarHBondContact N-O 3.29Å; C54-V150 HydrophobicContact CB-CG1 3.9Å; C54-V150 HydrophobicContact CB-CG2 4.23Å; C54-V150 VanDerWaalsContact SG-CG1 3.55Å
55	R	95.7	Very high	95.6	Very high	57 Å²	57	45.9 Å²	45.9	22%	0.215	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.5	176.1	178.7	169.3	-68.7	178.3	-2.6	110.2	N57 H63 A64 L66 Q125 N129 D130	R55-N57 PolarHBondContact O-N 2.87Å; R55-H63 WeakPolarHBondContact O-CA 3.35Å; R55-A64 PolarHBondContact N-O 2.87Å; R55-A64 PolarHBondContact O-N 3.42Å; R55-L66 HydrophobicContact CB-CD1 3.8Å; R55-L66 HydrophobicContact CB-CG 4.39Å; R55-L66 HydrophobicContact CG-CD1 4.38Å; R55-Q125 PolarHBondContact NH2-O 3.49Å; R55-N129 WeakPolarHBondContact CA-O 3.37Å; R55-N129 HydrophobicContact CG-CB 4.15Å; R55-D130 IonicContact CZ-OD1 3.22Å; R55-D130 VanDerWaalsContact CZ-OD1 3.22Å; R55-D130 IonicContact CZ-OD2 3.67Å; R55-D130 IonicContact NE-OD1 2.88Å; R55-D130 PolarHBondContact NE-OD1 2.9Å; R55-D130 IonicContact NE-OD2 3.04Å; R55-D130 VanDerWaalsContact NH2-CG 3.26Å; R55-D130 IonicContact NH2-OD1 2.98Å; R55-D130 PolarHBondContact NH2-OD1 3.14Å; R55-D130 IonicContact NH2-OD2 2.74Å; R55-D130 PolarHBondContact NH2-OD2 3.41Å
56	Y	95	Very high	95.6	Very high	52 Å²	52	49.1 Å²	49.1	20%	0.204	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	124.5	168.3	-174.4	-103.1	0	0	0	110	E58 Q61 H63 N129	Y56-E58 HydrophobicContact CD1-CG 4.18Å; Y56-E58 HydrophobicContact CE1-CG 4.13Å; Y56-Q61 VanDerWaalsContact OH-CD 3.23Å; Y56-Q61 PolarHBondContact OH-NE2 3.45Å; Y56-Q61 PolarHBondContact OH-OE1 2.95Å; Y56-H63 AromaticContact CD2-CE1 3.92Å; Y56-H63 AromaticContact CD2-NE2 3.78Å; Y56-N129 PolarHBondContact N-O 2.75Å; Y56-N129 WeakPolarHBondContact O-CB 3.44Å
57	N	94.3	Very high	95.5	Very high	62 Å²	62	52.3 Å²	52.3	33%	0.332	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	114.6	175.8	-179.3	-26.7	0	0	0	108.8	R55 E59 S60 Q61 K62	R55-N57 PolarHBondContact O-N 2.87Å; N57-E59 VanDerWaalsContact C-N 3.34Å; N57-E59 PolarHBondContact O-N 3.45Å; N57-E59 WeakPolarHBondContact OD1-CB 3.39Å; N57-E59 PolarHBondContact OD1-N 3.36Å; N57-S60 WeakPolarHBondContact CB-OG 3.38Å; N57-S60 PolarHBondContact OD1-N 2.85Å; N57-Q61 VanDerWaalsContact O-CA 3.28Å; N57-Q61 WeakPolarHBondContact O-CA 3.47Å; N57-Q61 PolarHBondContact O-N 3.24Å; N57-K62 WeakPolarHBondContact CB-O 3.44Å; N57-K62 PolarHBondContact N-O 2.84Å; N57-K62 PolarHBondContact O-N 2.85Å
58	E	93.8	Very high	95.5	Very high	120 Å²	120	52.9 Å²	52.9	56%	0.561	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-30.8	-178.6	-68	174.6	-169.5	0	0	112.8	Y56 Q61 N129	Y56-E58 HydrophobicContact CD1-CG 4.18Å; Y56-E58 HydrophobicContact CE1-CG 4.13Å; E58-Q61 PolarHBondContact O-NE2 2.97Å; E58-N129 PolarHBondContact OE1-ND2 2.8Å
59	E	93.5	Very high	95.5	Very high	187 Å²	187	52.6 Å²	52.6	87%	0.874	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-44	179.8	-63.1	178.1	-176.7	0	0	111.2	N57	N57-E59 VanDerWaalsContact C-N 3.34Å; N57-E59 PolarHBondContact O-N 3.45Å; N57-E59 WeakPolarHBondContact OD1-CB 3.39Å; N57-E59 PolarHBondContact OD1-N 3.36Å
60	S	94.4	Very high	95.5	Very high	60 Å²	60	56.3 Å²	56.3	42%	0.42	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-9	179.4	69	0	0	0	0	113.5	N57 K62	N57-S60 WeakPolarHBondContact CB-OG 3.38Å; N57-S60 PolarHBondContact OD1-N 2.85Å; S60-K62 WeakPolarHBondContact O-CG 3.48Å; S60-K62 PolarHBondContact O-N 2.83Å
61	Q	94.6	Very high	95.4	Very high	126 Å²	126	56.5 Å²	56.5	59%	0.589	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	34.6	-173.8	-65.4	-74.9	-65.8	0	0	112.7	Y56 N57 E58	Y56-Q61 VanDerWaalsContact OH-CD 3.23Å; Y56-Q61 PolarHBondContact OH-NE2 3.45Å; Y56-Q61 PolarHBondContact OH-OE1 2.95Å; N57-Q61 VanDerWaalsContact O-CA 3.28Å; N57-Q61 WeakPolarHBondContact O-CA 3.47Å; N57-Q61 PolarHBondContact O-N 3.24Å; E58-Q61 PolarHBondContact O-NE2 2.97Å
62	K	94.4	Very high	95.5	Very high	146 Å²	146	56.5 Å²	56.5	64%	0.635	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	154.6	-177.2	-69.6	-178.8	-173	-175.1	0	111.5	N57 S60	N57-K62 WeakPolarHBondContact CB-O 3.44Å; N57-K62 PolarHBondContact N-O 2.84Å; N57-K62 PolarHBondContact O-N 2.85Å; S60-K62 WeakPolarHBondContact O-CG 3.48Å; S60-K62 PolarHBondContact O-N 2.83Å
63	H	94.2	Very high	95.3	Very high	52 Å²	52	58.4 Å²	58.4	24%	0.241	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	142.2	166.5	-64.2	96.8	0	0	0	110.3	R55 Y56 L154	R55-H63 WeakPolarHBondContact O-CA 3.35Å; Y56-H63 AromaticContact CD2-CE1 3.92Å; Y56-H63 AromaticContact CD2-NE2 3.78Å; H63-L154 HydrophobicContact CB-CD1 3.45Å; H63-L154 VanDerWaalsContact CB-CD1 3.45Å; H63-L154 VanDerWaalsContact CG-CD1 3.47Å
64	A	96.1	Very high	95.3	Very high	24 Å²	24	58.4 Å²	58.4	20%	0.198	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.2	178	0	0	0	0	0	110.6	R55	R55-A64 PolarHBondContact N-O 2.87Å; R55-A64 PolarHBondContact O-N 3.42Å
65	A	96.9	Very high	95.3	Very high	12 Å²	12	62.6 Å²	62.6	10%	0.099	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	102.7	174.7	0	0	0	0	0	110.7	I52 P146 E147 V150	I52-A65 HydrophobicContact CG2-CB 3.6Å; A65-P146 HydrophobicContact CB-CB 3.76Å; A65-E147 WeakPolarHBondContact CA-OE2 3.31Å; A65-E147 HydrophobicContact CB-CG 4.4Å; A65-E147 WeakPolarHBondContact CB-OE1 3.35Å; A65-E147 WeakPolarHBondContact CB-OE2 2.85Å; A65-E147 PolarHBondContact N-OE1 2.87Å; A65-E147 PolarHBondContact N-OE2 3.24Å; A65-V150 HydrophobicContact CB-CB 4.22Å; A65-V150 HydrophobicContact CB-CG2 3.65Å
66	L	96.9	Very high	95.4	Very high	69 Å²	69	61.9 Å²	61.9	36%	0.361	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	119.2	177.7	-56.8	-179.9	0	0	0	110.3	I52 L53 R55 L68	I52-L66 CarbonylContact C-O 3.53Å; I52-L66 WeakPolarHBondContact CA-O 3.39Å; L53-L66 HydrophobicContact CB-CB 4.25Å; L53-L66 HydrophobicContact CD2-CD1 4.47Å; L53-L66 PolarHBondContact N-O 3.21Å; L53-L66 PolarHBondContact O-N 2.82Å; R55-L66 HydrophobicContact CB-CD1 3.8Å; R55-L66 HydrophobicContact CB-CG 4.39Å; R55-L66 HydrophobicContact CG-CD1 4.38Å; L66-L68 PolarHBondContact O-N 3.21Å
67	S	96.8	Very high	95.4	Very high	68 Å²	68	67.1 Å²	67.1	48%	0.476	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	116.7	175.6	-172.8	0	0	0	0	111.4	S69	S67-S69 PolarHBondContact OG-O 2.78Å
68	L	96.9	Very high	95.6	Very high	11 Å²	11	69.8 Å²	69.8	6%	0.058	35%	0.347	C	S	.	.			trans	-90.9	-9.5	178.3	-62.7	-175.2	0	0	0	113.2	L41 I43 A51 L53 L66 R122 C124 I133	L41-L68 HydrophobicContact CD1-CD1 3.93Å; I43-L68 HydrophobicContact CD1-CB 4.05Å; I43-L68 HydrophobicContact CD1-CD1 4.08Å; I43-L68 HydrophobicContact CD1-CD2 4.45Å; I43-L68 HydrophobicContact CD1-CG 4.45Å; I43-L68 HydrophobicContact CG1-CB 3.92Å; I43-L68 HydrophobicContact CG1-CD1 4.06Å; I43-L68 HydrophobicContact CG2-CB 4.43Å; A51-L68 HydrophobicContact CB-CB 4.11Å; A51-L68 WeakPolarHBondContact O-CB 3.48Å; A51-L68 PolarHBondContact O-N 2.82Å; L53-L68 HydrophobicContact CB-CD1 3.81Å; L53-L68 HydrophobicContact CB-CD2 3.9Å; L53-L68 HydrophobicContact CB-CG 3.78Å; L53-L68 HydrophobicContact CD2-CD2 4.11Å; L66-L68 PolarHBondContact O-N 3.21Å; L68-R122 WeakPolarHBondContact O-CD 3.36Å; L68-C124 HydrophobicContact CD2-CB 3.88Å; L68-I133 HydrophobicContact CD1-CG2 4.28Å
69	S	96	Very high	95.8	Very high	7 Å²	7	64.1 Å²	64.1	5%	0.049	32%	0.321	C	S	.	.	S	Bend	trans	-131.5	149.9	-174.5	57.8	0	0	0	0	112	R50 A51 S67	R50-S69 WeakPolarHBondContact CA-OG 3.42Å; A51-S69 PolarHBondContact N-OG 2.79Å; S67-S69 PolarHBondContact OG-O 2.78Å
70	K	93.9	Very high	96	Very high	78 Å²	78	60.4 Å²	60.4	34%	0.339	30%	0.299	S	S	.	.			trans	-98	128.9	166.8	-173.2	-178.5	173	-175.7	0	109.3	N45 H72 Q76	N45-K70 PolarHBondContact ND2-O 3.31Å; K70-H72 PolarHBondContact O-CE1 2.99Å; K70-H72 PolarHBondContact O-ND1 2.93Å; K70-Q76 VanDerWaalsContact CE-OE1 3.25Å
71	E	94	Very high	96.2	Very high	55 Å²	55	61.6 Å²	61.6	26%	0.257	30%	0.299	S	S	.	.			trans	-67.1	157.2	172.7	-68.8	168.5	-97.7	0	0	111.3	R50 Q76	R50-E71 HydrophobicContact CG-CG 3.89Å; R50-E71 IonicContact CZ-OE1 3.97Å; R50-E71 IonicContact CZ-OE2 3.85Å; R50-E71 VanDerWaalsContact CZ-OE2 3.29Å; R50-E71 IonicContact NE-OE1 2.89Å; R50-E71 PolarHBondContact NE-OE1 3.28Å; R50-E71 IonicContact NE-OE2 3.29Å; R50-E71 PolarHBondContact NE-OE2 3.42Å; R50-E71 VanDerWaalsContact NE-OE2 3.08Å; R50-E71 IonicContact NH1-OE1 2.84Å; R50-E71 IonicContact NH2-OE1 2.98Å; R50-E71 PolarHBondContact NH2-OE1 3.18Å; R50-E71 IonicContact NH2-OE2 2.7Å; R50-E71 PolarHBondContact NH2-OE2 2.91Å; E71-Q76 VanDerWaalsContact C-NE2 3.35Å; E71-Q76 PolarHBondContact O-NE2 2.78Å; E71-Q76 PolarHBondContact O-OE1 3.28Å; E71-Q76 VanDerWaalsContact O-OE1 3.11Å
72	H	96.6	Very high	96.3	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.282	C	S	.	.			trans	-129.7	95.4	179.1	-58.2	111.3	0	0	0	110.8	N45 G47 K70 E79 S102 R103	N45-H72 PolarHBondContact O-CE1 3.39Å; G47-H72 WeakPolarHBondContact O-CB 3.25Å; G47-H72 PolarHBondContact O-N 3.25Å; G47-H72 PolarHBondContact O-ND1 3.42Å; K70-H72 PolarHBondContact O-CE1 2.99Å; K70-H72 PolarHBondContact O-ND1 2.93Å; H72-E79 IonicContact CD2-OE2 3.66Å; H72-S102 WeakPolarHBondContact CB-OG 3.39Å; H72-S102 PolarHBondContact O-N 2.71Å; H72-S102 PolarHBondContact O-OG 3.19Å; H72-R103 HydrophobicContact CB-CB 4.09Å; H72-R103 HydrophobicContact CB-CG 3.85Å; H72-R103 PolarHBondContact CD2-NE 2.89Å; H72-R103 VanDerWaalsContact CD2-NE 3.3Å
73	N	94.7	Very high	96.5	Very high	41 Å²	41	51.6 Å²	51.6	22%	0.219	25%	0.252	C	S	.	.			trans	-122.2	156.2	174.6	66.9	55.2	0	0	0	111.4	T75 Q76 E79 S102	N73-T75 PolarHBondContact O-N 3.43Å; N73-T75 VanDerWaalsContact O-N 3.14Å; N73-T75 PolarHBondContact OD1-N 2.93Å; N73-T75 PolarHBondContact OD1-OG1 3.04Å; N73-Q76 PolarHBondContact ND2-NE2 3.07Å; N73-Q76 PolarHBondContact O-N 3.4Å; N73-Q76 WeakPolarHBondContact OD1-CG 3.33Å; N73-Q76 PolarHBondContact OD1-N 2.98Å; N73-E79 WeakPolarHBondContact O-CB 3.43Å; N73-S102 PolarHBondContact N-OG 2.87Å
74	P	97.3	Very high	96.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-12.6	-175.6	-24.9	35.4	0	0	0	115.7	R80 I83 V90 G93 V95 E100	P74-R80 WeakPolarHBondContact O-CB 3.44Å; P74-I83 HydrophobicContact CB-CD1 4.02Å; P74-I83 HydrophobicContact CG-CD1 4.5Å; P74-V90 HydrophobicContact CB-CB 4.47Å; P74-V90 HydrophobicContact CB-CG1 3.75Å; P74-V90 HydrophobicContact CB-CG2 3.85Å; P74-G93 WeakPolarHBondContact CB-O 3.23Å; P74-G93 WeakPolarHBondContact CG-O 3.46Å; P74-V95 HydrophobicContact CB-CG2 4.11Å; P74-V95 HydrophobicContact CG-CG2 3.53Å; P74-E100 WeakPolarHBondContact CD-O 3.36Å
75	T	95.8	Very high	96.8	Very high	88 Å²	88	61.2 Å²	61.2	54%	0.54	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-19.1	178.9	65.4	0	0	0	0	112.5	N73	N73-T75 PolarHBondContact O-N 3.43Å; N73-T75 VanDerWaalsContact O-N 3.14Å; N73-T75 PolarHBondContact OD1-N 2.93Å; N73-T75 PolarHBondContact OD1-OG1 3.04Å
76	Q	96.7	Very high	96.8	Very high	41 Å²	41	63 Å²	63	19%	0.192	30%	0.304	C	S	.	.	S	Bend	trans	-63.1	135.7	173.9	-71.5	179.2	32.8	0	0	111.3	K70 E71 N73 E78 E79 R80	K70-Q76 VanDerWaalsContact CE-OE1 3.25Å; E71-Q76 VanDerWaalsContact C-NE2 3.35Å; E71-Q76 PolarHBondContact O-NE2 2.78Å; E71-Q76 PolarHBondContact O-OE1 3.28Å; E71-Q76 VanDerWaalsContact O-OE1 3.11Å; N73-Q76 PolarHBondContact ND2-NE2 3.07Å; N73-Q76 PolarHBondContact O-N 3.4Å; N73-Q76 WeakPolarHBondContact OD1-CG 3.33Å; N73-Q76 PolarHBondContact OD1-N 2.98Å; Q76-E78 PolarHBondContact O-N 3.29Å; Q76-E79 HydrophobicContact CB-CB 4.14Å; Q76-E79 HydrophobicContact CB-CG 3.82Å; Q76-E79 PolarHBondContact O-N 3.07Å; Q76-E79 VanDerWaalsContact O-N 3.12Å; Q76-R80 WeakPolarHBondContact O-CB 3.44Å; Q76-R80 PolarHBondContact O-N 3.28Å
77	Y	96.7	Very high	96.8	Very high	163 Å²	163	62.9 Å²	62.9	64%	0.639	32%	0.32	S	S	*	.	H	α-helix	trans	-51.5	-55.2	-173.3	178.7	-100.4	0	0	0	113.2	E79 R80 M81	Y77-E79 VanDerWaalsContact C-N 3.31Å; Y77-E79 PolarHBondContact O-N 2.89Å; Y77-R80 PolarHBondContact O-N 3.37Å; Y77-M81 HydrophobicContact CD1-CG 4.42Å; Y77-M81 HydrophobicContact CD2-CG 4.33Å; Y77-M81 HydrophobicContact CE1-CG 4.1Å; Y77-M81 HydrophobicContact CE2-CG 4Å; Y77-M81 HydrophobicContact CE2-SD 4.29Å; Y77-M81 WeakPolarHBondContact O-CB 3.36Å; Y77-M81 VanDerWaalsContact O-CG 3.24Å; Y77-M81 WeakPolarHBondContact O-CG 3.25Å; Y77-M81 PolarHBondContact O-N 3.06Å
78	E	96.9	Very high	96.8	Very high	117 Å²	117	60 Å²	60	55%	0.547	30%	0.301	S	S	.	.	H	α-helix	trans	-61.4	-38.4	-179.4	-63.9	-57.9	147.4	0	0	112.9	Q76 R82	Q76-E78 PolarHBondContact O-N 3.29Å; E78-R82 PolarHBondContact O-N 3.45Å; E78-R82 VanDerWaalsContact O-N 3.07Å
79	E	98.1	Very high	96.8	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.009	32%	0.315	C	S	.	.	H	α-helix	trans	-70.1	-46	-179.7	-56.5	-60.1	104.6	0	0	110.6	H72 N73 Q76 Y77 M81 R82 I83 S102 R103	H72-E79 IonicContact CD2-OE2 3.66Å; N73-E79 WeakPolarHBondContact O-CB 3.43Å; Q76-E79 HydrophobicContact CB-CB 4.14Å; Q76-E79 HydrophobicContact CB-CG 3.82Å; Q76-E79 PolarHBondContact O-N 3.07Å; Q76-E79 VanDerWaalsContact O-N 3.12Å; Y77-E79 VanDerWaalsContact C-N 3.31Å; Y77-E79 PolarHBondContact O-N 2.89Å; E79-M81 PolarHBondContact O-N 3.38Å; E79-R82 PolarHBondContact O-N 2.91Å; E79-R82 IonicContact OE1-CZ 2.82Å; E79-R82 IonicContact OE1-NH1 2.73Å; E79-R82 PolarHBondContact OE1-NH1 2.63Å; E79-R82 IonicContact OE1-NH2 3.08Å; E79-R82 IonicContact OE2-CZ 3.35Å; E79-R82 VanDerWaalsContact OE2-CZ 3.29Å; E79-R82 IonicContact OE2-NH1 3.29Å; E79-R82 PolarHBondContact OE2-NH1 3.15Å; E79-R82 IonicContact OE2-NH2 2.78Å; E79-R82 PolarHBondContact OE2-NH2 3.3Å; E79-I83 WeakPolarHBondContact O-CD1 3.19Å; E79-I83 WeakPolarHBondContact O-CG1 3.37Å; E79-I83 PolarHBondContact O-N 3.11Å; E79-S102 WeakPolarHBondContact CG-OG 3.33Å; E79-S102 WeakPolarHBondContact OE2-CB 3.23Å; E79-S102 PolarHBondContact OE2-OG 2.87Å; E79-R103 IonicContact OE1-CZ 3.28Å; E79-R103 IonicContact OE1-NE 2.76Å; E79-R103 PolarHBondContact OE1-NE 3.35Å; E79-R103 IonicContact OE1-NH2 3.49Å; E79-R103 PolarHBondContact OE1-NH2 3.1Å; E79-R103 WeakPolarHBondContact OE2-CG 3.49Å; E79-R103 IonicContact OE2-CZ 3.79Å; E79-R103 IonicContact OE2-NE 3.8Å; E79-R103 PolarHBondContact OE2-NE 3.3Å; E79-R103 IonicContact OE2-NH2 3.79Å
80	R	97.9	Very high	96.8	Very high	109 Å²	109	62.8 Å²	62.8	41%	0.411	32%	0.316	S	S	.	.	H	α-helix	trans	-60.3	-45.5	176.4	-172.5	171	-176.5	168.2	5.2	111.6	P74 Q76 Y77 R82 I83 Q84 V90	P74-R80 WeakPolarHBondContact O-CB 3.44Å; Q76-R80 WeakPolarHBondContact O-CB 3.44Å; Q76-R80 PolarHBondContact O-N 3.28Å; Y77-R80 PolarHBondContact O-N 3.37Å; R80-R82 VanDerWaalsContact C-N 3.34Å; R80-R82 PolarHBondContact O-N 2.82Å; R80-I83 PolarHBondContact O-N 3.17Å; R80-Q84 HydrophobicContact CG-CG 4.45Å; R80-Q84 WeakPolarHBondContact O-CB 3.34Å; R80-Q84 WeakPolarHBondContact O-CG 3.09Å; R80-Q84 PolarHBondContact O-N 2.91Å; R80-V90 HydrophobicContact CG-CB 4.48Å; R80-V90 HydrophobicContact CG-CG2 4.03Å
81	M	97.9	Very high	96.9	Very high	84 Å²	84	66.3 Å²	66.3	41%	0.414	33%	0.327	S	S	.	.	H	α-helix	trans	-61.3	-42.5	177.6	-73.6	-62	-61.5	0	0	111.3	Y77 E79 Q84 K85	Y77-M81 HydrophobicContact CD1-CG 4.42Å; Y77-M81 HydrophobicContact CD2-CG 4.33Å; Y77-M81 HydrophobicContact CE1-CG 4.1Å; Y77-M81 HydrophobicContact CE2-CG 4Å; Y77-M81 HydrophobicContact CE2-SD 4.29Å; Y77-M81 WeakPolarHBondContact O-CB 3.36Å; Y77-M81 VanDerWaalsContact O-CG 3.24Å; Y77-M81 WeakPolarHBondContact O-CG 3.25Å; Y77-M81 PolarHBondContact O-N 3.06Å; E79-M81 PolarHBondContact O-N 3.38Å; M81-Q84 PolarHBondContact O-N 2.91Å; M81-K85 VanDerWaalsContact O-CB 3.25Å; M81-K85 WeakPolarHBondContact O-CB 3.49Å; M81-K85 PolarHBondContact O-N 3.01Å
82	R	98.2	Very high	97	Very high	63 Å²	63	71.3 Å²	71.3	24%	0.238	36%	0.356	C	S	.	.	H	α-helix	trans	-60.7	-47.3	174.7	-176.4	-177.3	66.4	-114.1	0.2	111.8	E78 E79 R80 K85 A86 S102 G114	E78-R82 PolarHBondContact O-N 3.45Å; E78-R82 VanDerWaalsContact O-N 3.07Å; E79-R82 PolarHBondContact O-N 2.91Å; E79-R82 IonicContact OE1-CZ 2.82Å; E79-R82 IonicContact OE1-NH1 2.73Å; E79-R82 PolarHBondContact OE1-NH1 2.63Å; E79-R82 IonicContact OE1-NH2 3.08Å; E79-R82 IonicContact OE2-CZ 3.35Å; E79-R82 VanDerWaalsContact OE2-CZ 3.29Å; E79-R82 IonicContact OE2-NH1 3.29Å; E79-R82 PolarHBondContact OE2-NH1 3.15Å; E79-R82 IonicContact OE2-NH2 2.78Å; E79-R82 PolarHBondContact OE2-NH2 3.3Å; R80-R82 VanDerWaalsContact C-N 3.34Å; R80-R82 PolarHBondContact O-N 2.82Å; R82-K85 PolarHBondContact O-N 2.97Å; R82-A86 WeakPolarHBondContact O-CB 3.44Å; R82-A86 PolarHBondContact O-N 2.65Å; R82-A86 VanDerWaalsContact O-N 3.1Å; R82-S102 PolarHBondContact NH2-O 2.79Å; R82-G114 PolarHBondContact NE-O 2.99Å
83	I	98.6	Very high	96.9	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-59.6	-49.1	179.2	-71.2	158.8	0	0	0	110.7	P74 E79 R80 A86 G87 G88 V90 V95 C113	P74-I83 HydrophobicContact CB-CD1 4.02Å; P74-I83 HydrophobicContact CG-CD1 4.5Å; E79-I83 WeakPolarHBondContact O-CD1 3.19Å; E79-I83 WeakPolarHBondContact O-CG1 3.37Å; E79-I83 PolarHBondContact O-N 3.11Å; R80-I83 PolarHBondContact O-N 3.17Å; I83-A86 PolarHBondContact O-N 3Å; I83-G87 PolarHBondContact O-N 3.35Å; I83-G88 WeakPolarHBondContact O-CA 3.31Å; I83-G88 PolarHBondContact O-N 3.46Å; I83-V90 HydrophobicContact CB-CG2 4.39Å; I83-V90 HydrophobicContact CD1-CG2 4.06Å; I83-V90 HydrophobicContact CG2-CG2 3.94Å; I83-V95 HydrophobicContact CD1-CG2 3.76Å; I83-V95 HydrophobicContact CG2-CG1 4.27Å; I83-C113 WeakPolarHBondContact CA-O 3.35Å; I83-C113 WeakPolarHBondContact CG2-O 3.15Å
84	Q	97.6	Very high	97	Very high	83 Å²	83	74.8 Å²	74.8	39%	0.388	37%	0.374	S	S	.	.	H	α-helix	trans	-65.5	-41.5	-179.5	-71.9	177	-25.8	0	0	112.5	R80 M81 A86 G87 G88	R80-Q84 HydrophobicContact CG-CG 4.45Å; R80-Q84 WeakPolarHBondContact O-CB 3.34Å; R80-Q84 WeakPolarHBondContact O-CG 3.09Å; R80-Q84 PolarHBondContact O-N 2.91Å; M81-Q84 PolarHBondContact O-N 2.91Å; Q84-A86 PolarHBondContact O-N 3.24Å; Q84-G87 PolarHBondContact O-N 2.84Å; Q84-G88 WeakPolarHBondContact CA-O 2.95Å
85	K	97.9	Very high	97	Very high	195 Å²	195	74.8 Å²	74.8	85%	0.848	37%	0.374	S	S	*	.	H	α-helix	trans	-63.1	-29.5	176.4	-173.9	176.1	179.1	179.7	0	112.5	M81 R82 G87	M81-K85 VanDerWaalsContact O-CB 3.25Å; M81-K85 WeakPolarHBondContact O-CB 3.49Å; M81-K85 PolarHBondContact O-N 3.01Å; R82-K85 PolarHBondContact O-N 2.97Å; K85-G87 VanDerWaalsContact C-N 3.25Å; K85-G87 PolarHBondContact O-N 2.85Å
86	A	97.6	Very high	97.1	Very high	48 Å²	48	74 Å²	74	40%	0.397	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	1.5	174.2	0	0	0	0	0	113.7	R82 I83 Q84 G88	R82-A86 WeakPolarHBondContact O-CB 3.44Å; R82-A86 PolarHBondContact O-N 2.65Å; R82-A86 VanDerWaalsContact O-N 3.1Å; I83-A86 PolarHBondContact O-N 3Å; Q84-A86 PolarHBondContact O-N 3.24Å; A86-G88 VanDerWaalsContact C-N 3.32Å
87	G	96.8	Very high	97.1	Very high	68 Å²	68	73.6 Å²	73.6	70%	0.701	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	5.3	-177	0	0	0	0	0	114.4	I83 Q84 K85	I83-G87 PolarHBondContact O-N 3.35Å; Q84-G87 PolarHBondContact O-N 2.84Å; K85-G87 VanDerWaalsContact C-N 3.25Å; K85-G87 PolarHBondContact O-N 2.85Å
88	G	97	Very high	97.1	Very high	8 Å²	8	69.9 Å²	69.9	8%	0.082	37%	0.367	C	S	.	.			trans	-75.7	170.6	168.6	0	0	0	0	0	112.2	I83 Q84 A86	I83-G88 WeakPolarHBondContact O-CA 3.31Å; I83-G88 PolarHBondContact O-N 3.46Å; Q84-G88 WeakPolarHBondContact CA-O 2.95Å; A86-G88 VanDerWaalsContact C-N 3.32Å
89	N	95.9	Very high	97	Very high	63 Å²	63	65 Å²	65	34%	0.337	35%	0.345	S	S	.	.			trans	-134	152.8	174.4	-168	8.4	0	0	0	110.2	R91 L96	N89-R91 PolarHBondContact ND2-NE 3.21Å; N89-L96 HydrophobicContact CB-CD2 4.48Å; N89-L96 PolarHBondContact O-N 2.79Å
90	V	97.3	Very high	96.9	Very high	13 Å²	13	67.7 Å²	67.7	8%	0.079	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	117	173.5	-179.3	0	0	0	0	108.4	P74 R80 I83 R94	P74-V90 HydrophobicContact CB-CB 4.47Å; P74-V90 HydrophobicContact CB-CG1 3.75Å; P74-V90 HydrophobicContact CB-CG2 3.85Å; R80-V90 HydrophobicContact CG-CB 4.48Å; R80-V90 HydrophobicContact CG-CG2 4.03Å; I83-V90 HydrophobicContact CB-CG2 4.39Å; I83-V90 HydrophobicContact CD1-CG2 4.06Å; I83-V90 HydrophobicContact CG2-CG2 3.94Å; V90-R94 WeakPolarHBondContact CA-O 3.46Å
91	R	96.3	Very high	96.9	Very high	151 Å²	151	62.7 Å²	62.7	57%	0.57	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.6	178.4	-63.3	179.3	178.6	170.9	-3.2	108.3	N89 G93 R94	N89-R91 PolarHBondContact ND2-NE 3.21Å; R91-G93 PolarHBondContact O-N 2.85Å; R91-G93 VanDerWaalsContact O-N 3.1Å; R91-R94 PolarHBondContact N-O 2.9Å; R91-R94 PolarHBondContact O-N 2.99Å
92	D	95	Very high	96.9	Very high	160 Å²	160	58.7 Å²	58.7	86%	0.856	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	38	-179.1	-51.2	-40.4	0	0	0	113.6	R94	D92-R94 VanDerWaalsContact C-N 3.28Å; D92-R94 PolarHBondContact O-N 3.07Å
93	G	94.4	Very high	96.9	Very high	28 Å²	28	57.3 Å²	57.3	29%	0.289	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	5.7	-178.6	0	0	0	0	0	115.8	P74 R91	P74-G93 WeakPolarHBondContact CB-O 3.23Å; P74-G93 WeakPolarHBondContact CG-O 3.46Å; R91-G93 PolarHBondContact O-N 2.85Å; R91-G93 VanDerWaalsContact O-N 3.1Å
94	R	97.8	Very high	96.9	Very high	86 Å²	86	57.3 Å²	57.3	33%	0.325	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	148.3	-174.6	-63	167.7	-174.1	-90.1	-11	112.7	V90 R91 D92 L96 G97 V98 L99 E100	V90-R94 WeakPolarHBondContact CA-O 3.46Å; R91-R94 PolarHBondContact N-O 2.9Å; R91-R94 PolarHBondContact O-N 2.99Å; D92-R94 VanDerWaalsContact C-N 3.28Å; D92-R94 PolarHBondContact O-N 3.07Å; R94-L96 PolarHBondContact O-N 3.22Å; R94-G97 PolarHBondContact O-N 3.18Å; R94-V98 PolarHBondContact NH1-O 3.02Å; R94-L99 CarbonylContact C-O 3.57Å; R94-L99 WeakPolarHBondContact CA-O 3.33Å; R94-L99 WeakPolarHBondContact CB-O 3.35Å; R94-E100 HydrophobicContact CG-CG 4.36Å; R94-E100 VanDerWaalsContact CZ-CG 3.48Å; R94-E100 IonicContact CZ-OE1 3.07Å; R94-E100 VanDerWaalsContact NH1-CD 3.31Å; R94-E100 IonicContact NH1-OE1 3.03Å; R94-E100 PolarHBondContact NH1-OE1 3.46Å; R94-E100 IonicContact NH2-OE1 2.64Å; R94-E100 PolarHBondContact NH2-OE1 3.5Å
95	V	97.3	Very high	96.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	122.3	172	-169.4	0	0	0	0	109.1	P74 I83 G97 V98 L99 Y110 C113 V115	P74-V95 HydrophobicContact CB-CG2 4.11Å; P74-V95 HydrophobicContact CG-CG2 3.53Å; I83-V95 HydrophobicContact CD1-CG2 3.76Å; I83-V95 HydrophobicContact CG2-CG1 4.27Å; V95-G97 PolarHBondContact O-N 3.18Å; V95-V98 PolarHBondContact O-N 3.22Å; V95-L99 HydrophobicContact CB-CB 4.19Å; V95-L99 PolarHBondContact N-O 3Å; V95-L99 PolarHBondContact O-N 3.2Å; V95-Y110 HydrophobicContact CG1-CD1 4.38Å; V95-C113 HydrophobicContact CG1-CB 4.42Å; V95-V115 HydrophobicContact CB-CG2 4.45Å; V95-V115 HydrophobicContact CG1-CG2 4.11Å; V95-V115 HydrophobicContact CG2-CG2 4.07Å
96	L	96.6	Very high	96.9	Very high	72 Å²	72	45.4 Å²	45.4	38%	0.377	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	20	-172.4	-56	-177.9	0	0	0	114.4	N89 R94 V98 Y110	N89-L96 HydrophobicContact CB-CD2 4.48Å; N89-L96 PolarHBondContact O-N 2.79Å; R94-L96 PolarHBondContact O-N 3.22Å; L96-V98 VanDerWaalsContact C-N 3.31Å; L96-Y110 HydrophobicContact CB-CE1 4.49Å; L96-Y110 HydrophobicContact CD1-CD1 4.12Å; L96-Y110 HydrophobicContact CD1-CE1 4.19Å
97	G	96.6	Very high	96.9	Very high	32 Å²	32	43.7 Å²	43.7	33%	0.33	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	8.6	-174.9	0	0	0	0	0	114.7	R94 V95	R94-G97 PolarHBondContact O-N 3.18Å; V95-G97 PolarHBondContact O-N 3.18Å
98	V	96.4	Very high	96.9	Very high	86 Å²	86	42.1 Å²	42.1	52%	0.521	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120	-61.2	-174.8	-174.5	0	0	0	0	112.2	R94 V95 L96 Y110	R94-V98 PolarHBondContact NH1-O 3.02Å; V95-V98 PolarHBondContact O-N 3.22Å; L96-V98 VanDerWaalsContact C-N 3.31Å; V98-Y110 WeakPolarHBondContact CB-OH 3.43Å; V98-Y110 WeakPolarHBondContact CG1-OH 3.34Å
99	L	96.8	Very high	96.9	Very high	14 Å²	14	46.1 Å²	46.1	7%	0.073	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-85	128.2	-169.7	-173.2	68.7	0	0	0	112.5	R94 V95 V101 D107 Y110 V115	R94-L99 CarbonylContact C-O 3.57Å; R94-L99 WeakPolarHBondContact CA-O 3.33Å; R94-L99 WeakPolarHBondContact CB-O 3.35Å; V95-L99 HydrophobicContact CB-CB 4.19Å; V95-L99 PolarHBondContact N-O 3Å; V95-L99 PolarHBondContact O-N 3.2Å; L99-V101 HydrophobicContact CD1-CG2 4.07Å; L99-V101 HydrophobicContact CD2-CG2 4.15Å; L99-V101 WeakPolarHBondContact CD2-O 3.38Å; L99-V101 HydrophobicContact CG-CG2 3.98Å; L99-D107 HydrophobicContact CD2-CB 4.36Å; L99-Y110 HydrophobicContact CB-CD2 4.45Å; L99-Y110 HydrophobicContact CB-CE2 4.23Å; L99-Y110 HydrophobicContact CD2-CD2 3.89Å; L99-Y110 HydrophobicContact CD2-CE2 4.38Å; L99-Y110 HydrophobicContact CD2-CG 4.15Å; L99-V115 HydrophobicContact CD2-CG1 4.29Å; L99-V115 HydrophobicContact CD2-CG2 3.88Å
100	E	96.1	Very high	96.9	Very high	59 Å²	59	44.1 Å²	44.1	28%	0.276	24%	0.235	S	C	.	.	S	Bend	trans	-77.2	-23.3	-177.1	-64.8	-171.1	-168.6	0	0	114.1	P74 R94 K142	P74-E100 WeakPolarHBondContact CD-O 3.36Å; R94-E100 HydrophobicContact CG-CG 4.36Å; R94-E100 VanDerWaalsContact CZ-CG 3.48Å; R94-E100 IonicContact CZ-OE1 3.07Å; R94-E100 VanDerWaalsContact NH1-CD 3.31Å; R94-E100 IonicContact NH1-OE1 3.03Å; R94-E100 PolarHBondContact NH1-OE1 3.46Å; R94-E100 IonicContact NH2-OE1 2.64Å; R94-E100 PolarHBondContact NH2-OE1 3.5Å; E100-K142 IonicContact OE2-NZ 2.73Å
101	V	97.2	Very high	96.9	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.018	24%	0.24	C	C	.	.			trans	-103.8	148.3	-177.9	-60.9	0	0	0	0	111.3	T30 D48 L99	T30-V101 HydrophobicContact CG2-CG1 4.13Å; D48-V101 HydrophobicContact CB-CG1 4.2Å; L99-V101 HydrophobicContact CD1-CG2 4.07Å; L99-V101 HydrophobicContact CD2-CG2 4.15Å; L99-V101 WeakPolarHBondContact CD2-O 3.38Å; L99-V101 HydrophobicContact CG-CG2 3.98Å
102	S	97.9	Very high	96.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-93.3	-10.6	175.4	59.5	0	0	0	0	113.1	H72 N73 E79 R82 V115	H72-S102 WeakPolarHBondContact CB-OG 3.39Å; H72-S102 PolarHBondContact O-N 2.71Å; H72-S102 PolarHBondContact O-OG 3.19Å; N73-S102 PolarHBondContact N-OG 2.87Å; E79-S102 WeakPolarHBondContact CG-OG 3.33Å; E79-S102 WeakPolarHBondContact OE2-CB 3.23Å; E79-S102 PolarHBondContact OE2-OG 2.87Å; R82-S102 PolarHBondContact NH2-O 2.79Å; S102-V115 WeakPolarHBondContact O-CA 3.42Å
103	R	98.4	Very high	97	Very high	34 Å²	34	42.8 Å²	42.8	13%	0.128	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-142.7	136.6	-178.3	-55.7	-166.9	-168.7	-171	10.5	110.6	L46 G47 H72 E79 T116 V118	L46-R103 HydrophobicContact CD1-CB 3.62Å; L46-R103 HydrophobicContact CD1-CG 4.5Å; L46-R103 HydrophobicContact CG-CB 3.94Å; G47-R103 WeakPolarHBondContact CA-O 3.44Å; G47-R103 PolarHBondContact N-O 2.76Å; H72-R103 HydrophobicContact CB-CB 4.09Å; H72-R103 HydrophobicContact CB-CG 3.85Å; H72-R103 PolarHBondContact CD2-NE 2.89Å; H72-R103 VanDerWaalsContact CD2-NE 3.3Å; E79-R103 IonicContact OE1-CZ 3.28Å; E79-R103 IonicContact OE1-NE 2.76Å; E79-R103 PolarHBondContact OE1-NE 3.35Å; E79-R103 IonicContact OE1-NH2 3.49Å; E79-R103 PolarHBondContact OE1-NH2 3.1Å; E79-R103 WeakPolarHBondContact OE2-CG 3.49Å; E79-R103 IonicContact OE2-CZ 3.79Å; E79-R103 IonicContact OE2-NE 3.8Å; E79-R103 PolarHBondContact OE2-NE 3.3Å; E79-R103 IonicContact OE2-NH2 3.79Å; R103-T116 CarbonylContact C-O 3.58Å; R103-T116 WeakPolarHBondContact CA-O 3.48Å; R103-T116 HydrophobicContact CB-CG2 4.46Å; R103-T116 WeakPolarHBondContact CB-O 3.33Å; R103-T116 HydrophobicContact CG-CG2 3.73Å; R103-V118 WeakPolarHBondContact CD-O 3.43Å; R103-V118 PolarHBondContact NH1-O 2.54Å
104	S	98	Very high	97.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.211	C	C	.	.			trans	-166.2	158.2	-178.3	55.3	0	0	0	0	111.7	S29 D107 K111 V115 T116 S117	S29-S104 WeakPolarHBondContact O-CA 2.67Å; S29-S104 WeakPolarHBondContact O-CB 3.16Å; S104-D107 WeakPolarHBondContact CB-OD2 3.37Å; S104-D107 WeakPolarHBondContact OG-CB 3.48Å; S104-D107 PolarHBondContact OG-OD2 3.21Å; S104-K111 PolarHBondContact O-NZ 3.11Å; S104-V115 WeakPolarHBondContact OG-CG1 3.45Å; S104-T116 PolarHBondContact N-O 3.41Å; S104-S117 WeakPolarHBondContact O-CA 3.11Å
105	I	98.4	Very high	97.2	Very high	28 Å²	28	38 Å²	38	14%	0.144	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	142.2	159.6	-64	173	0	0	0	106.8	T10 D11 F14 G28 S29 A31 L46	T10-I105 HydrophobicContact CG2-CD1 4.03Å; T10-I105 HydrophobicContact CG2-CG2 4.4Å; D11-I105 HydrophobicContact CB-CG2 4.47Å; D11-I105 WeakPolarHBondContact OD1-CA 3.46Å; F14-I105 HydrophobicContact CB-CG2 4.32Å; F14-I105 HydrophobicContact CD1-CG2 4.49Å; F14-I105 HydrophobicContact CG-CG2 4.41Å; G28-I105 CarbonylContact C-O 3.53Å; G28-I105 WeakPolarHBondContact CA-O 3.32Å; S29-I105 PolarHBondContact N-O 2.82Å; S29-I105 PolarHBondContact O-N 2.82Å; A31-I105 HydrophobicContact CB-CD1 4.12Å; L46-I105 HydrophobicContact CD2-CG1 3.71Å
106	G	97.6	Very high	97.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82	-140	-177.2	0	0	0	0	0	111.8	D11 F14 G108 K111	D11-G106 PolarHBondContact OD1-N 3.47Å; F14-G106 VanDerWaalsContact CD1-CA 3.48Å; F14-G106 VanDerWaalsContact CE1-CA 3.46Å; G106-G108 PolarHBondContact O-N 2.78Å; G106-G108 VanDerWaalsContact O-N 3.1Å; G106-K111 WeakPolarHBondContact O-CE 3.16Å; G106-K111 PolarHBondContact O-NZ 2.78Å
107	D	97.4	Very high	97.3	Very high	13 Å²	13	36.7 Å²	36.7	7%	0.07	19%	0.193	C	C	.	.			trans	52.7	37.8	178.6	-74.6	-49.5	0	0	0	113.7	D27 L99 S104 Q109 Y110	D27-D107 PolarHBondContact O-N 2.93Å; L99-D107 HydrophobicContact CD2-CB 4.36Å; S104-D107 WeakPolarHBondContact CB-OD2 3.37Å; S104-D107 WeakPolarHBondContact OG-CB 3.48Å; S104-D107 PolarHBondContact OG-OD2 3.21Å; D107-Q109 PolarHBondContact O-N 3.07Å; D107-Y110 HydrophobicContact CB-CD2 4.01Å; D107-Y110 PolarHBondContact O-N 3.38Å
108	G	97	Very high	97.3	Very high	35 Å²	35	38.8 Å²	38.8	36%	0.361	20%	0.199	S	C	.	.	H	α-helix	trans	-53.3	-34.2	-168.7	0	0	0	0	0	114.2	L15 G106 Y110 K111	L15-G108 VanDerWaalsContact CD2-CA 3.45Å; G106-G108 PolarHBondContact O-N 2.78Å; G106-G108 VanDerWaalsContact O-N 3.1Å; G108-Y110 PolarHBondContact O-N 3.21Å; G108-K111 PolarHBondContact O-N 3.34Å
109	Q	95.6	Very high	97.4	Very high	92 Å²	92	35 Å²	35	43%	0.43	18%	0.176	S	C	.	.	H	α-helix	trans	-64.8	-20.3	178	67.5	-170.2	2.4	0	0	113.9	D107	D107-Q109 PolarHBondContact O-N 3.07Å
110	Y	97.5	Very high	97.4	Very high	21 Å²	21	36.5 Å²	36.5	8%	0.082	18%	0.184	C	C	.	.	H	α-helix	trans	-102.7	-8.4	-179.1	-56.6	-74.6	0	0	0	114.1	V95 L96 V98 L99 D107 G108 R112 C113 G114 V115	V95-Y110 HydrophobicContact CG1-CD1 4.38Å; L96-Y110 HydrophobicContact CB-CE1 4.49Å; L96-Y110 HydrophobicContact CD1-CD1 4.12Å; L96-Y110 HydrophobicContact CD1-CE1 4.19Å; V98-Y110 WeakPolarHBondContact CB-OH 3.43Å; V98-Y110 WeakPolarHBondContact CG1-OH 3.34Å; L99-Y110 HydrophobicContact CB-CD2 4.45Å; L99-Y110 HydrophobicContact CB-CE2 4.23Å; L99-Y110 HydrophobicContact CD2-CD2 3.89Å; L99-Y110 HydrophobicContact CD2-CE2 4.38Å; L99-Y110 HydrophobicContact CD2-CG 4.15Å; D107-Y110 HydrophobicContact CB-CD2 4.01Å; D107-Y110 PolarHBondContact O-N 3.38Å; G108-Y110 PolarHBondContact O-N 3.21Å; Y110-R112 VanDerWaalsContact C-N 3.26Å; Y110-R112 PolarHBondContact O-N 2.73Å; Y110-C113 CarbonylContact O-C 3.46Å; Y110-C113 WeakPolarHBondContact O-CA 3.42Å; Y110-C113 WeakPolarHBondContact O-CB 3.46Å; Y110-C113 PolarHBondContact O-N 3.42Å; Y110-G114 PolarHBondContact O-N 3.3Å; Y110-V115 PolarHBondContact O-N 3.15Å
111	K	97.3	Very high	97.4	Very high	45 Å²	45	36.4 Å²	36.4	20%	0.196	19%	0.185	C	C	.	.	H	α-helix	trans	-60.3	-36.3	-179.6	-62.4	-69.6	172.9	155.5	0	112.5	D11 L15 S104 G106 G108 C113 G114 V115	D11-K111 IonicContact OD1-NZ 2.64Å; D11-K111 PolarHBondContact OD1-NZ 2.91Å; D11-K111 IonicContact OD2-NZ 3.94Å; D11-K111 PolarHBondContact OD2-NZ 3.14Å; L15-K111 HydrophobicContact CD1-CG 4.44Å; S104-K111 PolarHBondContact O-NZ 3.11Å; G106-K111 WeakPolarHBondContact O-CE 3.16Å; G106-K111 PolarHBondContact O-NZ 2.78Å; G108-K111 PolarHBondContact O-N 3.34Å; K111-C113 PolarHBondContact O-N 3.44Å; K111-G114 PolarHBondContact O-N 2.84Å; K111-V115 WeakPolarHBondContact CD-O 3.11Å
112	R	96.4	Very high	97.3	Very high	228 Å²	228	41.4 Å²	41.4	86%	0.86	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-12.6	174.3	-64	-171.9	-176.4	-165.5	1.3	113.6	Y110	Y110-R112 VanDerWaalsContact C-N 3.26Å; Y110-R112 PolarHBondContact O-N 2.73Å
113	C	96.6	Very high	97.2	Very high	23 Å²	23	50.3 Å²	50.3	16%	0.155	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	12.2	179.6	-57.5	0	0	0	0	112.5	I83 V95 Y110 K111	I83-C113 WeakPolarHBondContact CA-O 3.35Å; I83-C113 WeakPolarHBondContact CG2-O 3.15Å; V95-C113 HydrophobicContact CG1-CB 4.42Å; Y110-C113 CarbonylContact O-C 3.46Å; Y110-C113 WeakPolarHBondContact O-CA 3.42Å; Y110-C113 WeakPolarHBondContact O-CB 3.46Å; Y110-C113 PolarHBondContact O-N 3.42Å; K111-C113 PolarHBondContact O-N 3.44Å
114	G	97.3	Very high	97.1	Very high	9 Å²	9	49.9 Å²	49.9	9%	0.093	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	6.8	174.9	0	0	0	0	0	115.5	R82 Y110 K111	R82-G114 PolarHBondContact NE-O 2.99Å; Y110-G114 PolarHBondContact O-N 3.3Å; K111-G114 PolarHBondContact O-N 2.84Å
115	V	98.3	Very high	97	Very high	4 Å²	4	55 Å²	55	2%	0.024	26%	0.263	C	S	.	.			trans	-68.7	135.1	162.8	178.6	0	0	0	0	108.6	V95 L99 S102 S104 Y110 K111	V95-V115 HydrophobicContact CB-CG2 4.45Å; V95-V115 HydrophobicContact CG1-CG2 4.11Å; V95-V115 HydrophobicContact CG2-CG2 4.07Å; L99-V115 HydrophobicContact CD2-CG1 4.29Å; L99-V115 HydrophobicContact CD2-CG2 3.88Å; S102-V115 WeakPolarHBondContact O-CA 3.42Å; S104-V115 WeakPolarHBondContact OG-CG1 3.45Å; Y110-V115 PolarHBondContact O-N 3.15Å; K111-V115 WeakPolarHBondContact CD-O 3.11Å
116	T	98.3	Very high	96.8	Very high	30 Å²	30	54.4 Å²	54.4	18%	0.184	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-132.9	149.7	-173.7	-177	0	0	0	0	111.8	R103 S104 V118	R103-T116 CarbonylContact C-O 3.58Å; R103-T116 WeakPolarHBondContact CA-O 3.48Å; R103-T116 HydrophobicContact CB-CG2 4.46Å; R103-T116 WeakPolarHBondContact CB-O 3.33Å; R103-T116 HydrophobicContact CG-CG2 3.73Å; S104-T116 PolarHBondContact N-O 3.41Å; T116-V118 VanDerWaalsContact C-N 3.34Å; T116-V118 HydrophobicContact CG2-CB 4.44Å; T116-V118 WeakPolarHBondContact OG1-CG2 3.44Å; T116-V118 PolarHBondContact OG1-N 2.96Å
117	S	98	Very high	96.7	Very high	14 Å²	14	56.8 Å²	56.8	10%	0.098	27%	0.274	C	S	.	.			trans	-90.7	7.1	171.2	45.2	0	0	0	0	113.4	D11 L46 S104 P119	D11-S117 VanDerWaalsContact CB-CB 3.5Å; D11-S117 WeakPolarHBondContact OD2-CB 3.47Å; D11-S117 PolarHBondContact OD2-OG 2.86Å; L46-S117 VanDerWaalsContact CD1-C 3.41Å; L46-S117 WeakPolarHBondContact CD1-O 3.25Å; S104-S117 WeakPolarHBondContact O-CA 3.11Å; S117-P119 VanDerWaalsContact O-CD 3.25Å; S117-P119 WeakPolarHBondContact O-CD 3.37Å
118	V	97.9	Very high	96.5	Very high	77 Å²	77	62 Å²	62	47%	0.467	31%	0.309	S	S	.	.			trans	-78.1	113.2	178.1	178.5	0	0	0	0	110.5	L4 L46 R103 T116	L4-V118 HydrophobicContact CD2-CG1 4.32Å; L46-V118 VanDerWaalsContact CD1-C 3.5Å; L46-V118 WeakPolarHBondContact CD1-O 3.32Å; R103-V118 WeakPolarHBondContact CD-O 3.43Å; R103-V118 PolarHBondContact NH1-O 2.54Å; T116-V118 VanDerWaalsContact C-N 3.34Å; T116-V118 HydrophobicContact CG2-CB 4.44Å; T116-V118 WeakPolarHBondContact OG1-CG2 3.44Å; T116-V118 PolarHBondContact OG1-N 2.96Å
119	P	97.3	Very high	96.4	Very high	6 Å²	6	62 Å²	62	4%	0.039	30%	0.301	C	S	.	.			trans	-76.1	157.6	-179.9	33.2	-36.5	0	0	0	112	L4 F7 A44 N45 L46 S117 I121	L4-P119 HydrophobicContact CD2-CG 4Å; F7-P119 HydrophobicContact CB-CG 4.07Å; F7-P119 HydrophobicContact CD1-CB 3.85Å; F7-P119 HydrophobicContact CD1-CG 3.78Å; F7-P119 HydrophobicContact CD2-CG 4Å; F7-P119 HydrophobicContact CE1-CB 3.84Å; F7-P119 HydrophobicContact CE1-CG 4.17Å; F7-P119 HydrophobicContact CE2-CG 4.34Å; F7-P119 HydrophobicContact CG-CB 4.26Å; F7-P119 HydrophobicContact CG-CG 3.68Å; F7-P119 HydrophobicContact CZ-CB 4.21Å; F7-P119 HydrophobicContact CZ-CG 4.42Å; A44-P119 HydrophobicContact CB-CB 4.18Å; A44-P119 HydrophobicContact CB-CG 4.37Å; N45-P119 CarbonylContact O-C 3.3Å; N45-P119 VanDerWaalsContact O-CA 3.23Å; N45-P119 WeakPolarHBondContact O-CA 3.45Å; N45-P119 WeakPolarHBondContact O-CB 3.17Å; L46-P119 HydrophobicContact CB-CB 4.36Å; L46-P119 HydrophobicContact CD1-CB 4.35Å; S117-P119 VanDerWaalsContact O-CD 3.25Å; S117-P119 WeakPolarHBondContact O-CD 3.37Å; P119-I121 HydrophobicContact CG-CG1 4.34Å
120	D	96.7	Very high	96.3	Very high	45 Å²	45	58.4 Å²	58.4	24%	0.241	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	132.8	159.7	-170	60.5	0	0	0	108.8	A44 N45 R122	A44-D120 CarbonylContact C-O 3.59Å; A44-D120 WeakPolarHBondContact CA-O 3.24Å; N45-D120 PolarHBondContact N-O 2.73Å; N45-D120 PolarHBondContact O-N 3.08Å; D120-R122 IonicContact OD2-NE 2.65Å; D120-R122 PolarHBondContact OD2-NE 2.88Å
121	I	96.1	Very high	96.1	Very high	57 Å²	57	62.6 Å²	62.6	29%	0.292	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	125.8	-179.8	-62.4	178.2	0	0	0	110	L3 L4 I43 A44 P119	L3-I121 HydrophobicContact CB-CD1 3.87Å; L4-I121 HydrophobicContact CD1-CD1 4.36Å; L4-I121 HydrophobicContact CD2-CD1 3.47Å; L4-I121 VanDerWaalsContact CD2-CD1 3.47Å; L4-I121 HydrophobicContact CD2-CG1 4.18Å; L4-I121 HydrophobicContact CG-CD1 3.49Å; L4-I121 VanDerWaalsContact CG-CD1 3.49Å; I43-I121 CarbonylContact O-C 3.52Å; I43-I121 VanDerWaalsContact O-CA 3.24Å; I43-I121 WeakPolarHBondContact O-CA 3.34Å; A44-I121 HydrophobicContact CB-CG1 4.27Å; P119-I121 HydrophobicContact CG-CG1 4.34Å
122	R	95.9	Very high	95.8	Very high	108 Å²	108	61.8 Å²	61.8	41%	0.408	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	156.1	174.3	-65.9	-172.7	177.3	-156.3	-5.4	111.2	I43 L68 D120	I43-R122 PolarHBondContact N-O 3.03Å; I43-R122 PolarHBondContact O-N 3.43Å; L68-R122 WeakPolarHBondContact O-CD 3.36Å; D120-R122 IonicContact OD2-NE 2.65Å; D120-R122 PolarHBondContact OD2-NE 2.88Å
123	R	95.7	Very high	95.8	Very high	188 Å²	188	52.5 Å²	52.5	71%	0.709	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.4	139.9	172.4	-64.6	179.5	-173	159.3	-4.3	109.1	L41 Y42	L41-R123 CarbonylContact O-C 3.54Å; L41-R123 VanDerWaalsContact O-CA 3.24Å; L41-R123 WeakPolarHBondContact O-CA 3.27Å; Y42-R123 HydrophobicContact CD1-CG 3.74Å; Y42-R123 HydrophobicContact CE1-CG 3.9Å; Y42-R123 VanDerWaalsContact CE1-NE 3.29Å
124	C	95.8	Very high	95.7	Very high	25 Å²	25	52.7 Å²	52.7	17%	0.169	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	128.1	174.8	-173.9	0	0	0	0	109.4	L41 I43 L68	L41-C124 HydrophobicContact CB-CB 4.23Å; L41-C124 HydrophobicContact CD1-CB 4.42Å; L41-C124 PolarHBondContact N-O 2.83Å; L41-C124 PolarHBondContact O-N 3.26Å; I43-C124 HydrophobicContact CD1-CB 4.15Å; L68-C124 HydrophobicContact CD2-CB 3.88Å
125	Q	96.8	Very high	95.6	Very high	106 Å²	106	53.8 Å²	53.8	50%	0.495	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	123.6	172.2	-178.6	61.6	54.6	0	0	108.7	N39 R55	N39-Q125 VanDerWaalsContact CB-NE2 3.34Å; N39-Q125 PolarHBondContact O-NE2 3.15Å; R55-Q125 PolarHBondContact NH2-O 3.49Å
126	L	94.4	Very high	95.3	Very high	16 Å²	16	54.4 Å²	54.4	8%	0.084	27%	0.272	C	S	.	.			trans	-70.8	146	173.3	-69.8	173.7	0	0	0	110.7	N39 L41 D130 W170	N39-L126 HydrophobicContact CB-CB 4.44Å; N39-L126 WeakPolarHBondContact O-CB 3.42Å; N39-L126 PolarHBondContact O-N 3.18Å; L41-L126 HydrophobicContact CD1-CD2 3.63Å; L41-L126 HydrophobicContact CD1-CG 4.29Å; L41-L126 HydrophobicContact CD2-CD1 3.97Å; L41-L126 HydrophobicContact CD2-CD2 4.15Å; L41-L126 HydrophobicContact CD2-CG 4.17Å; L41-L126 HydrophobicContact CG-CD1 4.22Å; L41-L126 HydrophobicContact CG-CD2 3.77Å; L41-L126 HydrophobicContact CG-CG 3.86Å; L126-D130 WeakPolarHBondContact CA-OD2 3.46Å; L126-D130 HydrophobicContact CD2-CB 4.15Å; L126-D130 VanDerWaalsContact CD2-OD2 3.31Å; L126-D130 WeakPolarHBondContact CD2-OD2 3.37Å; L126-W170 HydrophobicContact CD1-CD2 3.96Å; L126-W170 HydrophobicContact CD1-CG 3.99Å; L126-W170 HydrophobicContact CD1-CZ2 4.3Å; L126-W170 HydrophobicContact CD2-CZ2 4.35Å
127	T	94.5	Very high	95	Very high	50 Å²	50	55.1 Å²	55.1	31%	0.307	28%	0.278	S	S	.	.			trans	-127.4	162.2	174.3	74.5	0	0	0	0	110.1	N129 D130	T127-N129 PolarHBondContact O-N 3.05Å; T127-N129 PolarHBondContact OG1-N 3.22Å; T127-D130 PolarHBondContact N-OD2 2.64Å; T127-D130 WeakPolarHBondContact O-CB 3.44Å; T127-D130 PolarHBondContact O-N 3.35Å
128	P	94.1	Very high	94.6	Very high	122 Å²	122	55.4 Å²	55.4	79%	0.792	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-12.6	173.6	-25.1	35.8	0	0	0	114.7	R131	P128-R131 PolarHBondContact O-NH1 2.77Å
129	N	94.4	Very high	94.3	Very high	37 Å²	37	53.8 Å²	53.8	20%	0.198	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-7	178.4	-70.8	-25.2	0	0	0	113.3	R55 Y56 E58 T127	R55-N129 WeakPolarHBondContact CA-O 3.37Å; R55-N129 HydrophobicContact CG-CB 4.15Å; Y56-N129 PolarHBondContact N-O 2.75Å; Y56-N129 WeakPolarHBondContact O-CB 3.44Å; E58-N129 PolarHBondContact OE1-ND2 2.8Å; T127-N129 PolarHBondContact O-N 3.05Å; T127-N129 PolarHBondContact OG1-N 3.22Å
130	D	93.6	Very high	94	Very high	16 Å²	16	56.2 Å²	56.2	9%	0.086	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	138.9	173.3	-67.1	-36.8	0	0	0	111.1	L53 R55 L126 T127	L53-D130 HydrophobicContact CD1-CB 4.04Å; L53-D130 WeakPolarHBondContact CD2-OD1 3.45Å; R55-D130 IonicContact CZ-OD1 3.22Å; R55-D130 VanDerWaalsContact CZ-OD1 3.22Å; R55-D130 IonicContact CZ-OD2 3.67Å; R55-D130 IonicContact NE-OD1 2.88Å; R55-D130 PolarHBondContact NE-OD1 2.9Å; R55-D130 IonicContact NE-OD2 3.04Å; R55-D130 VanDerWaalsContact NH2-CG 3.26Å; R55-D130 IonicContact NH2-OD1 2.98Å; R55-D130 PolarHBondContact NH2-OD1 3.14Å; R55-D130 IonicContact NH2-OD2 2.74Å; R55-D130 PolarHBondContact NH2-OD2 3.41Å; L126-D130 WeakPolarHBondContact CA-OD2 3.46Å; L126-D130 HydrophobicContact CD2-CB 4.15Å; L126-D130 VanDerWaalsContact CD2-OD2 3.31Å; L126-D130 WeakPolarHBondContact CD2-OD2 3.37Å; T127-D130 PolarHBondContact N-OD2 2.64Å; T127-D130 WeakPolarHBondContact O-CB 3.44Å; T127-D130 PolarHBondContact O-N 3.35Å
131	R	92.1	Very high	93.7	Very high	109 Å²	109	54.9 Å²	54.9	41%	0.411	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-54.1	-176.3	-58.3	-61.3	175.4	-121.7	2.5	112	C54 P128	C54-R131 HydrophobicContact CB-CB 4.33Å; C54-R131 PolarHBondContact O-N 3.05Å; P128-R131 PolarHBondContact O-NH1 2.77Å
132	F	92.7	Very high	93.4	Very high	28 Å²	28	58.8 Å²	58.8	12%	0.123	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	164.6	179.1	61.2	-97.1	0	0	0	111.2	C54 L134 V150 I153 L154 L157	C54-F132 HydrophobicContact CB-CD1 3.81Å; C54-F132 HydrophobicContact CB-CD2 3.94Å; C54-F132 HydrophobicContact CB-CE1 3.55Å; C54-F132 HydrophobicContact CB-CE2 3.68Å; C54-F132 HydrophobicContact CB-CG 4Å; C54-F132 HydrophobicContact CB-CZ 3.48Å; C54-F132 VanDerWaalsContact CB-CZ 3.48Å; C54-F132 PolarHBondContact N-O 3.29Å; F132-L134 HydrophobicContact CE2-CB 4.47Å; F132-V150 HydrophobicContact CE2-CG2 4.16Å; F132-V150 HydrophobicContact CZ-CB 4.31Å; F132-V150 HydrophobicContact CZ-CG1 4.02Å; F132-V150 HydrophobicContact CZ-CG2 4.18Å; F132-I153 HydrophobicContact CD1-CG2 4.25Å; F132-I153 HydrophobicContact CD2-CG2 4.34Å; F132-I153 HydrophobicContact CE1-CB 4.31Å; F132-I153 HydrophobicContact CE1-CG2 3.73Å; F132-I153 HydrophobicContact CE2-CB 4.14Å; F132-I153 HydrophobicContact CE2-CD1 3.79Å; F132-I153 HydrophobicContact CE2-CG2 3.84Å; F132-I153 HydrophobicContact CZ-CB 3.7Å; F132-I153 HydrophobicContact CZ-CD1 4.21Å; F132-I153 HydrophobicContact CZ-CG2 3.5Å; F132-L154 HydrophobicContact CE1-CD2 3.9Å; F132-L154 HydrophobicContact CE1-CG 4Å; F132-L154 HydrophobicContact CZ-CG 4.45Å; F132-L157 HydrophobicContact CD1-CD1 4.02Å; F132-L157 HydrophobicContact CE1-CD1 4.22Å
133	I	95.1	Very high	93.4	Very high	33 Å²	33	58.8 Å²	58.8	17%	0.169	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.4	172.1	-55.3	168.5	0	0	0	108	V34 L41 I52 L53 L68 L135 W170	V34-I133 HydrophobicContact CG1-CD1 4Å; V34-I133 HydrophobicContact CG2-CG2 4.4Å; L41-I133 HydrophobicContact CD1-CD1 3.42Å; L41-I133 VanDerWaalsContact CD1-CD1 3.42Å; L41-I133 HydrophobicContact CD1-CG1 4.25Å; L41-I133 HydrophobicContact CD2-CD1 3.75Å; L41-I133 HydrophobicContact CG-CD1 4.21Å; I52-I133 CarbonylContact O-C 3.48Å; I52-I133 WeakPolarHBondContact O-CA 3.49Å; L53-I133 HydrophobicContact CD1-CG1 3.93Å; L68-I133 HydrophobicContact CD1-CG2 4.28Å; I133-L135 HydrophobicContact CG2-CD1 3.9Å; I133-W170 HydrophobicContact CD1-CE3 4.45Å; I133-W170 HydrophobicContact CD1-CH2 4.09Å; I133-W170 HydrophobicContact CD1-CZ3 3.63Å; I133-W170 HydrophobicContact CG1-CH2 4.15Å; I133-W170 HydrophobicContact CG1-CZ3 4.09Å
134	L	94.9	Very high	93.3	Very high	26 Å²	26	53.8 Å²	53.8	14%	0.136	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.4	172.1	169.9	63.3	0	0	0	109	A51 I52 F132 A136 L140 F141 A149 I153	A51-L134 CarbonylContact C-O 3.59Å; A51-L134 WeakPolarHBondContact CA-O 3.46Å; I52-L134 HydrophobicContact CB-CB 4.32Å; I52-L134 PolarHBondContact N-O 3.3Å; I52-L134 PolarHBondContact O-N 3.37Å; F132-L134 HydrophobicContact CE2-CB 4.47Å; L134-A136 HydrophobicContact CD1-CB 4.29Å; L134-L140 HydrophobicContact CD1-CD2 4.38Å; L134-L140 HydrophobicContact CD2-CD2 4.04Å; L134-F141 HydrophobicContact CD2-CE1 4.3Å; L134-F141 HydrophobicContact CD2-CZ 4.07Å; L134-F141 HydrophobicContact CG-CZ 4.4Å; L134-A149 HydrophobicContact CD2-CB 3.87Å; L134-I153 HydrophobicContact CB-CD1 4.41Å; L134-I153 HydrophobicContact CD1-CD1 4.04Å; L134-I153 HydrophobicContact CD2-CD1 4.02Å; L134-I153 HydrophobicContact CG-CD1 4.38Å
135	L	95.3	Very high	93.3	Very high	33 Å²	33	55.8 Å²	55.8	17%	0.173	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.3	166.5	-61.5	91.6	0	0	0	108.2	T32 V34 R50 A51 I133	T32-L135 HydrophobicContact CG2-CD2 4.2Å; V34-L135 HydrophobicContact CB-CD2 4.43Å; V34-L135 HydrophobicContact CG2-CD1 4.42Å; V34-L135 HydrophobicContact CG2-CD2 3.86Å; V34-L135 HydrophobicContact CG2-CG 4.31Å; R50-L135 WeakPolarHBondContact O-CA 3.47Å; A51-L135 HydrophobicContact CB-CG 4.47Å; I133-L135 HydrophobicContact CG2-CD1 3.9Å
136	A	92.6	Very high	93.3	Very high	17 Å²	17	52.3 Å²	52.3	14%	0.14	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	154.1	178.6	0	0	0	0	0	111.8	R50 L134 L140 F141	R50-A136 PolarHBondContact N-O 2.92Å; R50-A136 PolarHBondContact O-N 3.22Å; R50-A136 VanDerWaalsContact O-N 3.07Å; L134-A136 HydrophobicContact CD1-CB 4.29Å; A136-L140 HydrophobicContact CB-CB 3.99Å; A136-L140 HydrophobicContact CB-CD2 3.49Å; A136-L140 VanDerWaalsContact CB-CD2 3.49Å; A136-L140 HydrophobicContact CB-CG 4.39Å; A136-F141 HydrophobicContact CB-CD2 4.25Å; A136-F141 HydrophobicContact CB-CE2 3.47Å; A136-F141 VanDerWaalsContact CB-CE2 3.47Å; A136-F141 HydrophobicContact CB-CZ 3.93Å; A136-F141 WeakPolarHBondContact O-CE2 3.47Å
137	C	91.8	Very high	93.4	Very high	44 Å²	44	55.4 Å²	55.4	30%	0.297	30%	0.304	S	S	.	.			trans	-75.7	170.7	170.5	63.4	0	0	0	0	111.4	G139 L140 F141 A179	C137-G139 PolarHBondContact O-N 2.86Å; C137-L140 PolarHBondContact O-N 2.87Å; C137-F141 WeakPolarHBondContact O-CD2 3.47Å; C137-A179 HydrophobicContact CB-CB 4.08Å
138	D	90.1	Very high	93.5	Very high	21 Å²	21	57.8 Å²	57.8	11%	0.112	31%	0.312	C	S	.	.	H	α-helix	trans	-54.8	-28.2	175.1	71.1	-39	0	0	0	113.3	L140 F141 K142	D138-L140 PolarHBondContact O-N 2.7Å; D138-F141 CarbonylContact O-C 3.56Å; D138-F141 PolarHBondContact O-N 2.63Å; D138-K142 WeakPolarHBondContact O-CB 2.92Å; D138-K142 VanDerWaalsContact O-CG 3.25Å; D138-K142 WeakPolarHBondContact O-CG 3.25Å; D138-K142 PolarHBondContact O-N 2.98Å; D138-K142 WeakPolarHBondContact OD2-CE 3.41Å; D138-K142 IonicContact OD2-NZ 3.9Å; D138-K142 PolarHBondContact OD2-NZ 2.84Å
139	G	90.7	Very high	93.5	Very high	43 Å²	43	52.2 Å²	52.2	44%	0.443	28%	0.276	S	S	.	.	H	α-helix	trans	-53.9	-37.5	176.3	0	0	0	0	0	113.8	C137	C137-G139 PolarHBondContact O-N 2.86Å
140	L	91.6	Very high	93.5	Very high	56 Å²	56	50.5 Å²	50.5	29%	0.293	27%	0.267	S	S	.	.	H	α-helix	trans	-73.2	-49.6	172.4	-178.4	70.2	0	0	0	110.8	L134 A136 C137 D138 K142 V143 F144 A149	L134-L140 HydrophobicContact CD1-CD2 4.38Å; L134-L140 HydrophobicContact CD2-CD2 4.04Å; A136-L140 HydrophobicContact CB-CB 3.99Å; A136-L140 HydrophobicContact CB-CD2 3.49Å; A136-L140 VanDerWaalsContact CB-CD2 3.49Å; A136-L140 HydrophobicContact CB-CG 4.39Å; C137-L140 PolarHBondContact O-N 2.87Å; D138-L140 PolarHBondContact O-N 2.7Å; L140-K142 VanDerWaalsContact C-N 3.25Å; L140-K142 PolarHBondContact O-N 3.35Å; L140-V143 PolarHBondContact O-N 3.24Å; L140-F144 HydrophobicContact CD1-CD2 3.8Å; L140-F144 HydrophobicContact CD1-CE2 4.43Å; L140-F144 HydrophobicContact CD1-CG 4.42Å; L140-F144 PolarHBondContact O-N 2.84Å; L140-A149 HydrophobicContact CD2-CB 4.44Å
141	F	90.1	Very high	93.6	Very high	18 Å²	18	53.9 Å²	53.9	8%	0.079	29%	0.285	C	S	.	.	H	α-helix	trans	-77.9	-6.7	-170.4	-63.3	-64.1	0	0	0	114.7	R50 I52 L134 A136 C137 D138 V143 F144	R50-F141 HydrophobicContact CB-CD2 3.94Å; R50-F141 HydrophobicContact CB-CE2 3.56Å; R50-F141 HydrophobicContact CB-CZ 4.11Å; R50-F141 HydrophobicContact CG-CD2 3.82Å; R50-F141 HydrophobicContact CG-CE2 4Å; R50-F141 HydrophobicContact CG-CG 4.45Å; I52-F141 HydrophobicContact CG1-CE1 4.03Å; I52-F141 HydrophobicContact CG1-CZ 3.81Å; L134-F141 HydrophobicContact CD2-CE1 4.3Å; L134-F141 HydrophobicContact CD2-CZ 4.07Å; L134-F141 HydrophobicContact CG-CZ 4.4Å; A136-F141 HydrophobicContact CB-CD2 4.25Å; A136-F141 HydrophobicContact CB-CE2 3.47Å; A136-F141 VanDerWaalsContact CB-CE2 3.47Å; A136-F141 HydrophobicContact CB-CZ 3.93Å; A136-F141 WeakPolarHBondContact O-CE2 3.47Å; C137-F141 WeakPolarHBondContact O-CD2 3.47Å; D138-F141 CarbonylContact O-C 3.56Å; D138-F141 PolarHBondContact O-N 2.63Å; F141-V143 VanDerWaalsContact C-N 3.3Å; F141-F144 WeakPolarHBondContact CA-O 3.48Å
142	K	90.3	Very high	93.7	Very high	138 Å²	138	54.8 Å²	54.8	60%	0.6	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-21.1	166.1	-80.8	170.7	170.9	167.5	0	112.2	E100 D138 L140	E100-K142 IonicContact OE2-NZ 2.73Å; D138-K142 WeakPolarHBondContact O-CB 2.92Å; D138-K142 VanDerWaalsContact O-CG 3.25Å; D138-K142 WeakPolarHBondContact O-CG 3.25Å; D138-K142 PolarHBondContact O-N 2.98Å; D138-K142 WeakPolarHBondContact OD2-CE 3.41Å; D138-K142 IonicContact OD2-NZ 3.9Å; D138-K142 PolarHBondContact OD2-NZ 2.84Å; L140-K142 VanDerWaalsContact C-N 3.25Å; L140-K142 PolarHBondContact O-N 3.35Å
143	V	95.2	Very high	93.6	Very high	109 Å²	109	55.6 Å²	55.6	66%	0.661	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-37.8	-176.2	-173.9	0	0	0	0	112	L140 F141	L140-V143 PolarHBondContact O-N 3.24Å; F141-V143 VanDerWaalsContact C-N 3.3Å
144	F	93.3	Very high	93.3	Very high	83 Å²	83	55 Å²	55	36%	0.364	29%	0.294	S	S	.	.	S	Bend	trans	-111	134	-179.4	-69.8	-90.5	0	0	0	111.3	L140 F141 E148 A149	L140-F144 HydrophobicContact CD1-CD2 3.8Å; L140-F144 HydrophobicContact CD1-CE2 4.43Å; L140-F144 HydrophobicContact CD1-CG 4.42Å; L140-F144 PolarHBondContact O-N 2.84Å; F141-F144 WeakPolarHBondContact CA-O 3.48Å; F144-E148 HydrophobicContact CD1-CB 3.99Å; F144-A149 HydrophobicContact CB-CB 4.23Å
145	T	96.8	Very high	93.1	Very high	67 Å²	67	56.5 Å²	56.5	41%	0.411	31%	0.307	S	S	.	.			trans	-65.2	154.9	160.6	64.5	0	0	0	0	109.9	E147 E148 A149	T145-E147 PolarHBondContact O-N 3.26Å; T145-E148 WeakPolarHBondContact CB-OE2 3.41Å; T145-E148 WeakPolarHBondContact CG2-OE2 3.32Å; T145-E148 PolarHBondContact N-OE2 3.32Å; T145-E148 PolarHBondContact O-N 3Å; T145-E148 WeakPolarHBondContact OG1-CB 3.37Å; T145-E148 WeakPolarHBondContact OG1-CG 3.4Å; T145-E148 PolarHBondContact OG1-N 2.93Å; T145-E148 PolarHBondContact OG1-OE2 3.45Å; T145-A149 PolarHBondContact O-N 3.19Å
146	P	95.4	Very high	92.8	Very high	33 Å²	33	57.2 Å²	57.2	21%	0.214	32%	0.315	C	S	.	.	H	α-helix	trans	-53.1	-37.4	175.3	-28.3	36.4	0	0	0	113.3	I52 A65 V150	I52-P146 HydrophobicContact CD1-CB 4.09Å; I52-P146 HydrophobicContact CD1-CG 4.23Å; I52-P146 HydrophobicContact CG1-CB 4.33Å; I52-P146 HydrophobicContact CG2-CB 4.31Å; A65-P146 HydrophobicContact CB-CB 3.76Å; P146-V150 WeakPolarHBondContact O-CB 3.47Å; P146-V150 WeakPolarHBondContact O-CG2 3.37Å; P146-V150 PolarHBondContact O-N 3.49Å
147	E	96.9	Very high	92.3	Very high	80 Å²	80	60.2 Å²	60.2	37%	0.374	33%	0.328	S	S	.	.	H	α-helix	trans	-71	-41.8	180	-54	-55	173.2	0	0	112.8	A65 T145 A149 V150 N151	A65-E147 WeakPolarHBondContact CA-OE2 3.31Å; A65-E147 HydrophobicContact CB-CG 4.4Å; A65-E147 WeakPolarHBondContact CB-OE1 3.35Å; A65-E147 WeakPolarHBondContact CB-OE2 2.85Å; A65-E147 PolarHBondContact N-OE1 2.87Å; A65-E147 PolarHBondContact N-OE2 3.24Å; T145-E147 PolarHBondContact O-N 3.26Å; E147-A149 VanDerWaalsContact C-N 3.33Å; E147-A149 PolarHBondContact O-N 3.42Å; E147-V150 PolarHBondContact O-N 3.29Å; E147-N151 WeakPolarHBondContact O-CB 3.39Å; E147-N151 VanDerWaalsContact O-CG 3.22Å; E147-N151 PolarHBondContact O-N 3.48Å; E147-N151 PolarHBondContact O-ND2 3.07Å
148	E	96.8	Very high	91.7	Very high	100 Å²	100	65.6 Å²	65.6	47%	0.467	35%	0.348	S	S	.	.	H	α-helix	trans	-62.6	-42.8	174.8	-70.8	160.6	152.5	0	0	111.2	F144 T145 N151 F152	F144-E148 HydrophobicContact CD1-CB 3.99Å; T145-E148 WeakPolarHBondContact CB-OE2 3.41Å; T145-E148 WeakPolarHBondContact CG2-OE2 3.32Å; T145-E148 PolarHBondContact N-OE2 3.32Å; T145-E148 PolarHBondContact O-N 3Å; T145-E148 WeakPolarHBondContact OG1-CB 3.37Å; T145-E148 WeakPolarHBondContact OG1-CG 3.4Å; T145-E148 PolarHBondContact OG1-N 2.93Å; T145-E148 PolarHBondContact OG1-OE2 3.45Å; E148-N151 PolarHBondContact O-N 3.27Å; E148-F152 WeakPolarHBondContact O-CB 3.19Å; E148-F152 PolarHBondContact O-N 3.49Å
149	A	95	Very high	90.7	Very high	6 Å²	6	68.9 Å²	68.9	5%	0.05	37%	0.373	C	S	.	.	H	α-helix	trans	-62.6	-44.4	177.2	0	0	0	0	0	112	L134 L140 F144 T145 E147 F152 I153	L134-A149 HydrophobicContact CD2-CB 3.87Å; L140-A149 HydrophobicContact CD2-CB 4.44Å; F144-A149 HydrophobicContact CB-CB 4.23Å; T145-A149 PolarHBondContact O-N 3.19Å; E147-A149 VanDerWaalsContact C-N 3.33Å; E147-A149 PolarHBondContact O-N 3.42Å; A149-F152 PolarHBondContact O-N 2.91Å; A149-I153 VanDerWaalsContact O-CG1 3.31Å; A149-I153 WeakPolarHBondContact O-CG1 3.19Å; A149-I153 PolarHBondContact O-N 3.35Å
150	V	94.3	Very high	89.3	Confident	0 Å²	0	72 Å²	72	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-63.3	-46.6	176.8	162.3	0	0	0	0	111.5	I52 C54 A65 F132 P146 E147 F152 I153 L154	I52-V150 HydrophobicContact CG2-CG2 4.06Å; C54-V150 HydrophobicContact CB-CG1 3.9Å; C54-V150 HydrophobicContact CB-CG2 4.23Å; C54-V150 VanDerWaalsContact SG-CG1 3.55Å; A65-V150 HydrophobicContact CB-CB 4.22Å; A65-V150 HydrophobicContact CB-CG2 3.65Å; F132-V150 HydrophobicContact CE2-CG2 4.16Å; F132-V150 HydrophobicContact CZ-CB 4.31Å; F132-V150 HydrophobicContact CZ-CG1 4.02Å; F132-V150 HydrophobicContact CZ-CG2 4.18Å; P146-V150 WeakPolarHBondContact O-CB 3.47Å; P146-V150 WeakPolarHBondContact O-CG2 3.37Å; P146-V150 PolarHBondContact O-N 3.49Å; E147-V150 PolarHBondContact O-N 3.29Å; V150-F152 VanDerWaalsContact C-N 3.31Å; V150-F152 PolarHBondContact O-N 3.48Å; V150-I153 PolarHBondContact O-N 3.28Å; V150-L154 HydrophobicContact CG1-CD1 3.83Å; V150-L154 HydrophobicContact CG1-CG 4.43Å; V150-L154 WeakPolarHBondContact O-CG 3.42Å; V150-L154 PolarHBondContact O-N 2.99Å
151	N	94.3	Very high	87.2	Confident	87 Å²	87	74.8 Å²	74.8	47%	0.465	40%	0.4	S	S	.	.	H	α-helix	trans	-63.6	-37.2	179.1	-72.5	-36.2	0	0	0	112.2	E147 E148 L154 S155	E147-N151 WeakPolarHBondContact O-CB 3.39Å; E147-N151 VanDerWaalsContact O-CG 3.22Å; E147-N151 PolarHBondContact O-N 3.48Å; E147-N151 PolarHBondContact O-ND2 3.07Å; E148-N151 PolarHBondContact O-N 3.27Å; N151-L154 PolarHBondContact O-N 3.22Å; N151-S155 PolarHBondContact O-N 2.8Å
152	F	93.8	Very high	84.9	Confident	128 Å²	128	82 Å²	82	56%	0.561	44%	0.439	S	S	*	.	H	α-helix	trans	-64.1	-45.6	174.2	-178.9	-95.7	0	0	0	111.8	E148 A149 V150 L154 S155 C156	E148-F152 WeakPolarHBondContact O-CB 3.19Å; E148-F152 PolarHBondContact O-N 3.49Å; A149-F152 PolarHBondContact O-N 2.91Å; V150-F152 VanDerWaalsContact C-N 3.31Å; V150-F152 PolarHBondContact O-N 3.48Å; F152-L154 VanDerWaalsContact C-N 3.31Å; F152-L154 PolarHBondContact O-N 3.25Å; F152-S155 PolarHBondContact O-N 3.34Å; F152-S155 PolarHBondContact O-OG 2.83Å; F152-C156 PolarHBondContact O-N 3.35Å; F152-C156 VanDerWaalsContact O-N 3.11Å; F152-C156 PolarHBondContact O-SG 3.12Å; F152-C156 VanDerWaalsContact O-SG 3.39Å
153	I	91.6	Very high	82.4	Confident	46 Å²	46	83.7 Å²	83.7	24%	0.236	45%	0.451	C	S	.	.	H	α-helix	trans	-62.3	-41.9	176.9	-67.1	163.7	0	0	0	110.6	F132 L134 A149 V150 S155 C156 L157	F132-I153 HydrophobicContact CD1-CG2 4.25Å; F132-I153 HydrophobicContact CD2-CG2 4.34Å; F132-I153 HydrophobicContact CE1-CB 4.31Å; F132-I153 HydrophobicContact CE1-CG2 3.73Å; F132-I153 HydrophobicContact CE2-CB 4.14Å; F132-I153 HydrophobicContact CE2-CD1 3.79Å; F132-I153 HydrophobicContact CE2-CG2 3.84Å; F132-I153 HydrophobicContact CZ-CB 3.7Å; F132-I153 HydrophobicContact CZ-CD1 4.21Å; F132-I153 HydrophobicContact CZ-CG2 3.5Å; L134-I153 HydrophobicContact CB-CD1 4.41Å; L134-I153 HydrophobicContact CD1-CD1 4.04Å; L134-I153 HydrophobicContact CD2-CD1 4.02Å; L134-I153 HydrophobicContact CG-CD1 4.38Å; A149-I153 VanDerWaalsContact O-CG1 3.31Å; A149-I153 WeakPolarHBondContact O-CG1 3.19Å; A149-I153 PolarHBondContact O-N 3.35Å; V150-I153 PolarHBondContact O-N 3.28Å; I153-S155 PolarHBondContact O-N 2.87Å; I153-C156 WeakPolarHBondContact O-CB 3.46Å; I153-C156 PolarHBondContact O-N 3.14Å; I153-L157 HydrophobicContact CG2-CD1 3.96Å; I153-L157 HydrophobicContact CG2-CG 4.24Å; I153-L157 WeakPolarHBondContact O-CG 3.24Å; I153-L157 PolarHBondContact O-N 2.96Å
154	L	89.4	Confident	79.7	Confident	19 Å²	19	84.5 Å²	84.5	10%	0.099	46%	0.456	C	S	.	.	H	α-helix	trans	-58.9	-45.2	177.1	-74	165.5	0	0	0	112.1	H63 F132 V150 N151 F152 C156 L157 E158	H63-L154 HydrophobicContact CB-CD1 3.45Å; H63-L154 VanDerWaalsContact CB-CD1 3.45Å; H63-L154 VanDerWaalsContact CG-CD1 3.47Å; F132-L154 HydrophobicContact CE1-CD2 3.9Å; F132-L154 HydrophobicContact CE1-CG 4Å; F132-L154 HydrophobicContact CZ-CG 4.45Å; V150-L154 HydrophobicContact CG1-CD1 3.83Å; V150-L154 HydrophobicContact CG1-CG 4.43Å; V150-L154 WeakPolarHBondContact O-CG 3.42Å; V150-L154 PolarHBondContact O-N 2.99Å; N151-L154 PolarHBondContact O-N 3.22Å; F152-L154 VanDerWaalsContact C-N 3.31Å; F152-L154 PolarHBondContact O-N 3.25Å; L154-C156 VanDerWaalsContact C-N 3.3Å; L154-C156 PolarHBondContact O-N 3.26Å; L154-L157 PolarHBondContact O-N 3.21Å; L154-L157 VanDerWaalsContact O-N 3.14Å; L154-E158 WeakPolarHBondContact O-CG 3.48Å; L154-E158 PolarHBondContact O-N 3.27Å
155	S	90.2	Very high	77.1	Confident	58 Å²	58	88.6 Å²	88.6	41%	0.406	47%	0.474	S	S	.	.	H	α-helix	trans	-65.7	-33.9	178.2	74.1	0	0	0	0	112.6	N151 F152 I153 S159	N151-S155 PolarHBondContact O-N 2.8Å; F152-S155 PolarHBondContact O-N 3.34Å; F152-S155 PolarHBondContact O-OG 2.83Å; I153-S155 PolarHBondContact O-N 2.87Å; S155-S159 PolarHBondContact O-N 2.64Å; S155-S159 PolarHBondContact O-OG 3.31Å
156	C	88.4	Confident	74.1	Confident	49 Å²	49	87.9 Å²	87.9	33%	0.331	48%	0.48	S	S	.	.	H	α-helix	trans	-65	-43.5	170.6	-67.5	0	0	0	0	112.1	F152 I153 L154 E158 S159 L160	F152-C156 PolarHBondContact O-N 3.35Å; F152-C156 VanDerWaalsContact O-N 3.11Å; F152-C156 PolarHBondContact O-SG 3.12Å; F152-C156 VanDerWaalsContact O-SG 3.39Å; I153-C156 WeakPolarHBondContact O-CB 3.46Å; I153-C156 PolarHBondContact O-N 3.14Å; L154-C156 VanDerWaalsContact C-N 3.3Å; L154-C156 PolarHBondContact O-N 3.26Å; C156-E158 PolarHBondContact O-N 2.73Å; C156-S159 WeakPolarHBondContact CA-OG 3.34Å; C156-S159 PolarHBondContact O-N 3.06Å; C156-S159 PolarHBondContact O-OG 3.23Å; C156-L160 WeakPolarHBondContact O-CG 3.46Å; C156-L160 PolarHBondContact O-N 3.1Å
157	L	82.6	Confident	71.1	Confident	80 Å²	80	95.4 Å²	95.4	42%	0.419	51%	0.512	S	S	.	.	H	α-helix	trans	-67.2	-35.5	179.7	-68.6	175	0	0	0	112.5	F132 I153 L154 S159 L160	F132-L157 HydrophobicContact CD1-CD1 4.02Å; F132-L157 HydrophobicContact CE1-CD1 4.22Å; I153-L157 HydrophobicContact CG2-CD1 3.96Å; I153-L157 HydrophobicContact CG2-CG 4.24Å; I153-L157 WeakPolarHBondContact O-CG 3.24Å; I153-L157 PolarHBondContact O-N 2.96Å; L154-L157 PolarHBondContact O-N 3.21Å; L154-L157 VanDerWaalsContact O-N 3.14Å; L157-S159 VanDerWaalsContact C-N 3.31Å; L157-L160 HydrophobicContact CD2-CD1 4.32Å; L157-L160 PolarHBondContact O-N 2.83Å
158	E	79	Confident	68.5	Low	156 Å²	156	95.9 Å²	95.9	73%	0.729	52%	0.52	S	S	*	.	H	α-helix	trans	-69.3	-28.1	175.7	-72.9	173.7	-174.4	0	0	113.1	L154 C156	L154-E158 WeakPolarHBondContact O-CG 3.48Å; L154-E158 PolarHBondContact O-N 3.27Å; C156-E158 PolarHBondContact O-N 2.73Å
159	S	69.1	Low	65.7	Low	90 Å²	90	94.7 Å²	94.7	63%	0.629	52%	0.523	S	S	*	.	H	α-helix	trans	-87.4	-7.4	179.4	54.6	0	0	0	0	114	S155 C156 L157	S155-S159 PolarHBondContact O-N 2.64Å; S155-S159 PolarHBondContact O-OG 3.31Å; C156-S159 WeakPolarHBondContact CA-OG 3.34Å; C156-S159 PolarHBondContact O-N 3.06Å; C156-S159 PolarHBondContact O-OG 3.23Å; L157-S159 VanDerWaalsContact C-N 3.31Å
160	L	60.4	Low	63.2	Low	109 Å²	109	97.3 Å²	97.3	57%	0.571	53%	0.532	S	S	*	.	S	Bend	trans	-81.2	122.4	173.7	-72.8	169.2	0	0	0	110.1	C156 L157 L162	C156-L160 WeakPolarHBondContact O-CG 3.46Å; C156-L160 PolarHBondContact O-N 3.1Å; L157-L160 HydrophobicContact CD2-CD1 4.32Å; L157-L160 PolarHBondContact O-N 2.83Å; L160-L162 PolarHBondContact O-N 3.48Å
161	P	48.4	Very low	60.2	Low	114 Å²	114	105.2 Å²	105.2	74%	0.74	57%	0.566	S	S	*	*			trans	-62.7	127.6	173.1	18.8	-20.7	0	0	0	108.6	M163	P161-M163 PolarHBondContact O-N 3.45Å
162	L	42.5	Very low	57.3	Low	171 Å²	171	109.8 Å²	109.8	90%	0.895	58%	0.584	S	S	*	*			trans	-24.5	73.9	177.5	-77.6	158.4	0	0	0	115	L160 V164	L160-L162 PolarHBondContact O-N 3.48Å; L162-V164 PolarHBondContact O-N 2.9Å
163	M	36.8	Very low	54.5	Low	172 Å²	172	107 Å²	107	85%	0.847	58%	0.578	S	S	*	*			trans	-86.2	98.3	154.3	-100.9	-171.4	148.4	0	0	104.6	P161 F165	P161-M163 PolarHBondContact O-N 3.45Å; M163-F165 PolarHBondContact O-N 2.97Å
164	V	37.7	Very low	51.6	Low	127 Å²	127	111.3 Å²	111.3	77%	0.77	60%	0.599	S	S	*	*			trans	-34.5	98.1	170.3	-179	0	0	0	0	110	L162 G166	L162-V164 PolarHBondContact O-N 2.9Å; V164-G166 PolarHBondContact O-N 3.42Å
165	F	39.1	Very low	49	Very low	169 Å²	169	115.6 Å²	115.6	74%	0.741	62%	0.621	S	S	*	*			trans	-70.5	92	150.2	-73	-75.1	0	0	0	104.4	M163	M163-F165 PolarHBondContact O-N 2.97Å
166	G	33.6	Very low	46.3	Very low	51 Å²	51	119 Å²	119	53%	0.526	63%	0.634	S	S	.	*			trans	-50.5	148.6	165.4	0	0	0	0	0	108.5	V164 V168	V164-G166 PolarHBondContact O-N 3.42Å; G166-V168 PolarHBondContact O-N 2.91Å; G166-V168 VanDerWaalsContact O-N 3.08Å
167	E	34	Very low	43.8	Very low	191 Å²	191	117.9 Å²	117.9	89%	0.893	63%	0.631	S	S	*	*			trans	-13.2	107.7	179.6	-78.7	179.5	149.9	0	0	112	S169	E167-S169 PolarHBondContact O-N 2.8Å
168	V	41.3	Very low	41.6	Very low	90 Å²	90	117.7 Å²	117.7	55%	0.545	64%	0.636	S	S	.	*			trans	-64.5	84.2	175.7	-178.6	0	0	0	0	106.7	G166 W170	G166-V168 PolarHBondContact O-N 2.91Å; G166-V168 VanDerWaalsContact O-N 3.08Å; V168-W170 HydrophobicContact CG1-CD2 4.24Å; V168-W170 HydrophobicContact CG1-CZ2 4.45Å; V168-W170 PolarHBondContact O-N 3.19Å; V168-W170 VanDerWaalsContact O-N 3.12Å
169	S	38	Very low	39.8	Very low	76 Å²	76	110.9 Å²	110.9	53%	0.531	61%	0.607	S	S	.	*			trans	-69.7	107	167.4	-161.4	0	0	0	0	103.8	E167 K171	E167-S169 PolarHBondContact O-N 2.8Å; S169-K171 PolarHBondContact O-N 3.31Å; S169-K171 VanDerWaalsContact OG-CD 3.3Å; S169-K171 WeakPolarHBondContact OG-CD 3.33Å; S169-K171 VanDerWaalsContact OG-CG 3.31Å; S169-K171 WeakPolarHBondContact OG-CG 3.36Å
170	W	43.8	Very low	38.1	Very low	60 Å²	60	112.9 Å²	112.9	23%	0.227	61%	0.61	C	S	.	*			trans	-62.9	23.6	178.7	-65.4	98.8	0	0	0	113.6	A36 L126 I133 V168 E172	A36-W170 HydrophobicContact CB-CB 3.69Å; A36-W170 WeakPolarHBondContact CB-O 3.39Å; L126-W170 HydrophobicContact CD1-CD2 3.96Å; L126-W170 HydrophobicContact CD1-CG 3.99Å; L126-W170 HydrophobicContact CD1-CZ2 4.3Å; L126-W170 HydrophobicContact CD2-CZ2 4.35Å; I133-W170 HydrophobicContact CD1-CE3 4.45Å; I133-W170 HydrophobicContact CD1-CH2 4.09Å; I133-W170 HydrophobicContact CD1-CZ3 3.63Å; I133-W170 HydrophobicContact CG1-CH2 4.15Å; I133-W170 HydrophobicContact CG1-CZ3 4.09Å; V168-W170 HydrophobicContact CG1-CD2 4.24Å; V168-W170 HydrophobicContact CG1-CZ2 4.45Å; V168-W170 PolarHBondContact O-N 3.19Å; V168-W170 VanDerWaalsContact O-N 3.12Å; W170-E172 VanDerWaalsContact C-N 3.28Å; W170-E172 PolarHBondContact O-N 2.96Å
171	K	29.6	Very low	37	Very low	166 Å²	166	110.5 Å²	110.5	72%	0.722	60%	0.596	S	S	*	*	S	Bend	trans	-72.4	-12.3	-162.6	-83.5	-176.2	179.5	-177.9	0	115.2	S169	S169-K171 PolarHBondContact O-N 3.31Å; S169-K171 VanDerWaalsContact OG-CD 3.3Å; S169-K171 WeakPolarHBondContact OG-CD 3.33Å; S169-K171 VanDerWaalsContact OG-CG 3.31Å; S169-K171 WeakPolarHBondContact OG-CG 3.36Å
172	E	34.9	Very low	36.1	Very low	183 Å²	183	114.1 Å²	114.1	86%	0.855	62%	0.621	S	S	*	*			trans	-171.5	104.2	168.3	-101.5	141.3	-155.3	0	0	110	W170	W170-E172 VanDerWaalsContact C-N 3.28Å; W170-E172 PolarHBondContact O-N 2.96Å
173	V	34.7	Very low	35.7	Very low	69 Å²	69	111.3 Å²	111.3	42%	0.418	61%	0.608	S	S	.	*			trans	-123.7	84.5	162.9	-176.5	0	0	0	0	108.3	L175	V173-L175 HydrophobicContact CG1-CD1 3.77Å; V173-L175 HydrophobicContact CG1-CG 4.09Å
174	M	30.9	Very low	35.7	Very low	138 Å²	138	108.1 Å²	108.1	68%	0.68	60%	0.595	S	S	*	*			trans	-89.8	95.6	162.2	-79.9	-86	-163.7	0	0	107.9
175	L	34	Very low	35.6	Very low	108 Å²	108	107 Å²	107	57%	0.565	59%	0.585	S	S	*	*			trans	-109	101.1	167.4	-81.1	163.6	0	0	0	108.5	V173 G177	V173-L175 HydrophobicContact CG1-CD1 3.77Å; V173-L175 HydrophobicContact CG1-CG 4.09Å; L175-G177 PolarHBondContact O-N 2.86Å
176	L	33.5	Very low	35.4	Very low	130 Å²	130	103.4 Å²	103.4	68%	0.681	58%	0.576	S	S	*	*			trans	-75.2	96.9	169.9	-77.1	160.8	0	0	0	108.4	S178	L176-S178 PolarHBondContact O-N 3.1Å
177	G	36.5	Very low	35.5	Very low	26 Å²	26	106.6 Å²	106.6	27%	0.268	58%	0.579	S	S	.	*			trans	-76.2	94.3	166.5	0	0	0	0	0	109.4	L175	L175-G177 PolarHBondContact O-N 2.86Å
178	S	36	Very low	35.6	Very low	75 Å²	75	101 Å²	101	52%	0.524	56%	0.558	S	S	.	*			trans	-88.2	119.9	174.3	60.2	0	0	0	0	110.5	L176	L176-S178 PolarHBondContact O-N 3.1Å
179	A	41.1	Very low	35.2	Very low	14 Å²	14	101.8 Å²	101.8	12%	0.116	56%	0.559	C	S	.	*			trans	-89.4	103.5	152.1	0	0	0	0	0	107.2	S29 C137 H181	S29-A179 PolarHBondContact OG-O 2.73Å; C137-A179 HydrophobicContact CB-CB 4.08Å; A179-H181 PolarHBondContact O-N 3.37Å
180	L	32.4	Very low	35	Very low	131 Å²	131	103.8 Å²	103.8	69%	0.686	56%	0.561	S	S	*	*	B	Isolated β-bridge	trans	-67.5	107.5	162.8	-83.7	155.3	0	0	0	106.4	C182	L180-C182 PolarHBondContact O-N 3.39Å
181	H	37.6	Very low	34.2	Very low	60 Å²	60	107.4 Å²	107.4	28%	0.278	59%	0.589	S	S	.	*			trans	-80	105.3	166.1	-79.1	74.8	0	0	0	106.8	A179	A179-H181 PolarHBondContact O-N 3.37Å
182	C	29.4	Very low	34.6	Very low	189 Å²	189	102.1 Å²	102.1	100%	1.277	58%	0.577	S	S	*	*			trans	-75.4	0	170.4	-66.2	0	0	0	0	111.3	L180	L180-C182 PolarHBondContact O-N 3.39Å

Retrieved 182 of 182 residues in 99.1 ms (Link to these results)

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