RALB_MACFA Loading...

Ras-related protein Ral-B

Multifunctional GTPase involved in a variety of cellular processes including gene expression, cell migration, cell proliferation, oncogenic transformation and membrane trafficking. Accomplishes its multiple functions by interacting with distinct downstream effectors. Acts as a GTP sensor for GTP-dependent exocytosis of dense core vesicles (By similarity). Required both to stabilize the assembly of the exocyst complex and to localize functional exocyst complexes to the leading edge of migrating cells (By similarity). Required for suppression of apoptosis (By similarity). In late stages of cytokinesis, upon completion of the bridge formation between dividing cells, mediates exocyst recruitment to the midbody to drive abscission (By similarity). Involved in ligand-dependent receptor mediated endocytosis of the EGF and insulin receptors (By similarity).

AlphaFold DB , UniProt , Accession Q4R379, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene RALB, Length 206 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51	Low	49.1	Very low	253 Å²	253	144.3 Å²	144.3	100%	1.246	85%	0.854	S	S	*	*				0	107.9	0	-73.8	178.3	175	0	0	107.6
2	A	43.7	Very low	52.6	Low	108 Å²	108	136.6 Å²	136.6	89%	0.893	81%	0.806	S	S	*	*			trans	-102.9	138.3	-176.5	0	0	0	0	0	109.8
3	A	46.6	Very low	55.9	Low	94 Å²	94	129.2 Å²	129.2	78%	0.777	77%	0.769	S	S	*	*			trans	-152.7	109.5	158.8	0	0	0	0	0	108.6
4	N	46.4	Very low	58.8	Low	140 Å²	140	123.1 Å²	123.1	75%	0.749	73%	0.731	S	S	*	*				76.7	130.8	88.3	-119.5	2.3	0	0	0	111.7
5	K	42	Very low	61.5	Low	171 Å²	171	115.1 Å²	115.1	74%	0.743	68%	0.683	S	S	*	*			cis	-156.6	145.2	19.6	-78	176.5	177.6	177.4	0	109.7
6	S	39.3	Very low	63.7	Low	120 Å²	120	112.4 Å²	112.4	84%	0.839	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-62.8	125.7	160.8	43.1	0	0	0	0	110.6
7	K	43.4	Very low	65.8	Low	207 Å²	207	105.8 Å²	105.8	90%	0.9	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-77.1	120.6	165.9	-76.4	-176.9	176.4	179.2	0	107.8	Q9	K7-Q9 PolarHBondContact O-N 3.4Å
8	G	41.3	Very low	67.5	Low	75 Å²	75	100.1 Å²	100.1	77%	0.773	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-57.6	134.4	175.1	0	0	0	0	0	111	S10	G8-S10 PolarHBondContact O-N 3.03Å
9	Q	44.3	Very low	69.1	Low	196 Å²	196	94.8 Å²	94.8	92%	0.916	56%	0.557	S	S	*	*			trans	-55.5	111.3	167.7	-85.3	174.6	-34.6	0	0	108.4	K7 S11	K7-Q9 PolarHBondContact O-N 3.4Å; Q9-S11 PolarHBondContact O-N 3.47Å; Q9-S11 VanDerWaalsContact O-N 3.16Å
10	S	60.3	Low	70.4	Confident	110 Å²	110	90.2 Å²	90.2	77%	0.769	53%	0.529	S	S	*	.			trans	-62.8	114.6	164.4	53.9	0	0	0	0	107.6	G8 L12	G8-S10 PolarHBondContact O-N 3.03Å; S10-L12 PolarHBondContact O-N 3.48Å
11	S	82	Confident	71.6	Confident	113 Å²	113	86 Å²	86	79%	0.79	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-61.4	129.5	173.1	55	0	0	0	0	109.5	Q9	Q9-S11 PolarHBondContact O-N 3.47Å; Q9-S11 VanDerWaalsContact O-N 3.16Å
12	L	91.2	Very high	73.5	Confident	52 Å²	52	75 Å²	75	27%	0.272	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-54.8	144.9	174.3	-61.1	174.6	0	0	0	110.4	S10 L14 K54 E61	S10-L12 PolarHBondContact O-N 3.48Å; L12-L14 PolarHBondContact O-N 3.49Å; L12-K54 HydrophobicContact CD1-CD 3.8Å; L12-K54 HydrophobicContact CD1-CG 4.21Å; L12-E61 HydrophobicContact CD1-CG 4.1Å; L12-E61 HydrophobicContact CD2-CB 4.06Å; L12-E61 HydrophobicContact CD2-CG 3.97Å; L12-E61 WeakPolarHBondContact CD2-O 3.18Å
13	A	95.2	Very high	75.8	Confident	40 Å²	40	71 Å²	71	33%	0.331	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	127	173.2	0	0	0	0	0	109.6	V62 Q63	A13-V62 HydrophobicContact CB-CG1 4.13Å; A13-Q63 PolarHBondContact O-N 3.27Å
14	L	97.2	Very high	78	Confident	44 Å²	44	67.7 Å²	67.7	23%	0.23	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	131.4	176.6	-174.6	65.9	0	0	0	109.6	L12 K16 Q63 D65 K180	L12-L14 PolarHBondContact O-N 3.49Å; L14-K16 HydrophobicContact CD2-CG 4.36Å; L14-K16 HydrophobicContact CG-CG 4.41Å; L14-Q63 CarbonylContact C-O 3.52Å; L14-Q63 VanDerWaalsContact CA-O 3.29Å; L14-Q63 WeakPolarHBondContact CA-O 3.33Å; L14-Q63 HydrophobicContact CD1-CB 3.88Å; L14-Q63 HydrophobicContact CD1-CG 3.75Å; L14-D65 HydrophobicContact CD1-CB 3.93Å; L14-K180 PolarHBondContact O-NZ 3.32Å
15	H	98	Very high	80.3	Confident	3 Å²	3	61 Å²	61	1%	0.014	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	113.4	173.9	-64.9	-46.8	0	0	0	110	Q63 I64 D65 E87 M173 I176	H15-Q63 PolarHBondContact N-O 2.93Å; H15-I64 WeakPolarHBondContact O-CA 3.5Å; H15-D65 PolarHBondContact O-N 3.44Å; H15-E87 WeakPolarHBondContact CA-OE2 3.4Å; H15-M173 HydrophobicContact CB-CG 4.04Å; H15-M173 HydrophobicContact CB-SD 4.49Å; H15-I176 HydrophobicContact CB-CD1 4.31Å; H15-I176 HydrophobicContact CB-CG2 4.49Å; H15-I176 WeakPolarHBondContact ND1-CG2 3.13Å
16	K	98.1	Very high	82.9	Confident	73 Å²	73	53.6 Å²	53.6	32%	0.317	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	107.9	-178.8	-61.4	-179.3	179.4	-178.1	0	111.3	L14 D65 S85 E87 G88	L14-K16 HydrophobicContact CD2-CG 4.36Å; L14-K16 HydrophobicContact CG-CG 4.41Å; K16-D65 CarbonylContact C-O 3.38Å; K16-D65 WeakPolarHBondContact CA-O 3.49Å; K16-D65 HydrophobicContact CG-CB 4.39Å; K16-S85 VanDerWaalsContact CD-O 3.29Å; K16-S85 WeakPolarHBondContact CD-O 3.47Å; K16-E87 HydrophobicContact CB-CB 4.32Å; K16-E87 HydrophobicContact CB-CG 4.03Å; K16-E87 PolarHBondContact N-OE2 3.45Å; K16-E87 WeakPolarHBondContact O-CA 3.44Å; K16-E87 PolarHBondContact O-N 2.91Å; K16-G88 PolarHBondContact O-N 3.33Å; K16-G88 VanDerWaalsContact O-N 3.1Å
17	V	98.3	Very high	85.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.6	179.5	172.8	0	0	0	0	109.4	M19 I64 D65 I66 L67 G88 L90 F169 L172 I176	V17-M19 HydrophobicContact CG1-SD 4.4Å; V17-I64 HydrophobicContact CB-CD1 4.5Å; V17-I64 HydrophobicContact CG2-CD1 3.96Å; V17-I64 HydrophobicContact CG2-CG1 4.13Å; V17-D65 PolarHBondContact N-O 3.12Å; V17-I66 HydrophobicContact CB-CG1 4.5Å; V17-I66 CarbonylContact O-C 3.47Å; V17-I66 WeakPolarHBondContact O-CA 3.45Å; V17-L67 PolarHBondContact O-N 2.89Å; V17-G88 WeakPolarHBondContact CA-O 3.46Å; V17-L90 HydrophobicContact CG1-CD1 4.43Å; V17-L90 HydrophobicContact CG1-CG 4.21Å; V17-F169 HydrophobicContact CG1-CD1 4.46Å; V17-F169 HydrophobicContact CG1-CE1 4.38Å; V17-L172 HydrophobicContact CB-CD2 4.24Å; V17-L172 HydrophobicContact CG1-CD2 3.58Å; V17-L172 HydrophobicContact CG2-CD2 3.77Å; V17-L172 HydrophobicContact CG2-CG 4.39Å; V17-I176 HydrophobicContact CG2-CD1 3.95Å
18	I	97.2	Very high	88	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.015	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.7	173.9	-45.5	-60.4	0	0	0	108.8	V20 L67 T69 F83 G86 G88 F89 L90	I18-V20 HydrophobicContact CB-CG2 4.35Å; I18-V20 HydrophobicContact CG2-CG2 3.9Å; I18-L67 HydrophobicContact CD1-CB 3.62Å; I18-L67 HydrophobicContact CD1-CD2 3.86Å; I18-L67 HydrophobicContact CD1-CG 4.39Å; I18-L67 HydrophobicContact CG2-CD2 4.45Å; I18-T69 HydrophobicContact CG2-CG2 3.91Å; I18-F83 HydrophobicContact CG2-CD1 4.44Å; I18-G86 VanDerWaalsContact CG1-CA 3.47Å; I18-G88 PolarHBondContact N-O 3.15Å; I18-F89 HydrophobicContact CB-CD1 3.85Å; I18-F89 HydrophobicContact CB-CE1 4.07Å; I18-F89 HydrophobicContact CG1-CD1 4.21Å; I18-F89 HydrophobicContact CG1-CE1 3.97Å; I18-F89 WeakPolarHBondContact O-CA 3.32Å; I18-L90 PolarHBondContact O-N 3.47Å
19	M	96.8	Very high	90.6	Very high	0 Å²	0	37 Å²	37	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	125	170.6	-54.1	-59	-74.1	0	0	108.8	V17 K27 L30 I66 L67 T69 L90 V92 F169	V17-M19 HydrophobicContact CG1-SD 4.4Å; M19-K27 HydrophobicContact CB-CB 3.99Å; M19-K27 HydrophobicContact CB-CD 3.95Å; M19-K27 HydrophobicContact CB-CG 4.17Å; M19-L30 HydrophobicContact CE-CB 4.09Å; M19-L30 HydrophobicContact CE-CD1 4.37Å; M19-I66 HydrophobicContact CG-CG2 3.74Å; M19-I66 HydrophobicContact SD-CG2 4.05Å; M19-L67 PolarHBondContact N-O 3.48Å; M19-T69 WeakPolarHBondContact O-CG2 3.47Å; M19-T69 PolarHBondContact O-OG1 2.99Å; M19-T69 VanDerWaalsContact O-OG1 3.11Å; M19-L90 HydrophobicContact CE-CB 4.33Å; M19-L90 HydrophobicContact CE-CD1 4.07Å; M19-L90 HydrophobicContact SD-CB 3.99Å; M19-L90 HydrophobicContact SD-CD1 3.78Å; M19-L90 HydrophobicContact SD-CG 4.3Å; M19-V92 HydrophobicContact CE-CG2 3.97Å; M19-F169 HydrophobicContact CE-CE1 4.43Å; M19-F169 HydrophobicContact CE-CZ 3.97Å; M19-F169 HydrophobicContact SD-CE1 3.78Å; M19-F169 HydrophobicContact SD-CZ 3.9Å
20	V	95.2	Very high	93.1	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	140.7	-176.7	-170.3	0	0	0	0	109.7	I18 F83 F89 L90 L91 V92 F107 I111	I18-V20 HydrophobicContact CB-CG2 4.35Å; I18-V20 HydrophobicContact CG2-CG2 3.9Å; V20-F83 HydrophobicContact CG1-CE1 4.02Å; V20-F83 HydrophobicContact CG1-CZ 3.92Å; V20-F83 HydrophobicContact CG2-CD1 4.43Å; V20-F83 HydrophobicContact CG2-CE1 3.66Å; V20-F83 HydrophobicContact CG2-CZ 4.37Å; V20-F89 HydrophobicContact CG2-CD1 3.94Å; V20-L90 PolarHBondContact N-O 3.26Å; V20-L91 HydrophobicContact CB-CD1 4.24Å; V20-L91 HydrophobicContact CG1-CD1 4.1Å; V20-L91 CarbonylContact O-C 3.59Å; V20-L91 WeakPolarHBondContact O-CA 3.35Å; V20-V92 PolarHBondContact O-N 2.8Å; V20-F107 HydrophobicContact CG1-CB 3.72Å; V20-F107 HydrophobicContact CG1-CD1 3.49Å; V20-F107 VanDerWaalsContact CG1-CD1 3.49Å; V20-F107 HydrophobicContact CG1-CD2 4.5Å; V20-F107 HydrophobicContact CG1-CE1 4.23Å; V20-F107 HydrophobicContact CG1-CG 3.66Å; V20-I111 HydrophobicContact CG1-CD1 4.38Å; V20-I111 HydrophobicContact CG2-CD1 4.25Å
21	G	95.2	Very high	94.8	Very high	2 Å²	2	22.4 Å²	22.4	2%	0.021	15%	0.151	C	C	.	.			trans	147.6	166.1	-179.1	0	0	0	0	0	112	K27 G71 V92	G21-K27 PolarHBondContact O-NZ 2.92Å; G21-G71 WeakPolarHBondContact O-CA 3.32Å; G21-V92 WeakPolarHBondContact CA-O 3.46Å
22	S	92.9	Very high	95.5	Very high	23 Å²	23	18.8 Å²	18.8	16%	0.161	12%	0.123	C	C	.	.			trans	-58	167.8	-178	-55.4	0	0	0	0	113.5	V25 K27 G71 A103	S22-V25 VanDerWaalsContact O-CG2 3.28Å; S22-V25 WeakPolarHBondContact O-CG2 3.35Å; S22-K27 PolarHBondContact O-NZ 3.48Å; S22-G71 CarbonylContact C-O 3.46Å; S22-A103 WeakPolarHBondContact OG-CB 3.19Å
23	G	91.4	Very high	95.8	Very high	22 Å²	22	17 Å²	17	23%	0.227	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	149.7	169.4	0	0	0	0	0	111.6	V25 G71	G23-V25 PolarHBondContact O-N 3.3Å; G23-G71 PolarHBondContact N-O 3.5Å; G23-G71 VanDerWaalsContact N-O 3.08Å
24	G	91.8	Very high	95.9	Very high	25 Å²	25	15.1 Å²	15.1	26%	0.258	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	-2.7	172.6	0	0	0	0	0	117.3	G26 Y43 K129	G24-G26 PolarHBondContact O-N 3.06Å; G24-Y43 PolarHBondContact N-OH 3.26Å; G24-Y43 VanDerWaalsContact N-OH 3.17Å; G24-K129 WeakPolarHBondContact O-CE 3.38Å; G24-K129 PolarHBondContact O-NZ 3.03Å
25	V	95.3	Very high	95.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-71.7	-17.1	179.8	-55.6	0	0	0	0	113.7	S22 G23 K27 V92 N128	S22-V25 VanDerWaalsContact O-CG2 3.28Å; S22-V25 WeakPolarHBondContact O-CG2 3.35Å; G23-V25 PolarHBondContact O-N 3.3Å; V25-K27 HydrophobicContact CG2-CG 3.77Å; V25-V92 HydrophobicContact CB-CG1 4.39Å; V25-V92 HydrophobicContact CG2-CB 4.07Å; V25-V92 HydrophobicContact CG2-CG1 3.93Å; V25-N128 PolarHBondContact O-ND2 3.41Å
26	G	95.6	Very high	95.7	Very high	15 Å²	15	19.5 Å²	19.5	16%	0.155	11%	0.112	C	C	.	.	S	Bend	trans	99.3	27.2	177.4	0	0	0	0	0	115.6	G24 A29 L30	G24-G26 PolarHBondContact O-N 3.06Å; G26-A29 PolarHBondContact O-N 3.28Å; G26-L30 WeakPolarHBondContact O-CG 3.5Å; G26-L30 PolarHBondContact O-N 2.79Å
27	K	95.8	Very high	95.5	Very high	10 Å²	10	20.9 Å²	20.9	4%	0.043	12%	0.123	C	C	.	.	H	α-helix	trans	-52.5	-53.9	172.9	-63.5	-172.9	-60.4	-70.9	0	111.9	M19 G21 S22 V25 A29 L30 T31 D68 T69 V92	M19-K27 HydrophobicContact CB-CB 3.99Å; M19-K27 HydrophobicContact CB-CD 3.95Å; M19-K27 HydrophobicContact CB-CG 4.17Å; G21-K27 PolarHBondContact O-NZ 2.92Å; S22-K27 PolarHBondContact O-NZ 3.48Å; V25-K27 HydrophobicContact CG2-CG 3.77Å; K27-A29 PolarHBondContact O-N 3.13Å; K27-L30 PolarHBondContact O-N 3.13Å; K27-T31 PolarHBondContact O-N 3.26Å; K27-T31 PolarHBondContact O-OG1 3.3Å; K27-D68 VanDerWaalsContact CB-OD1 3.31Å; K27-D68 WeakPolarHBondContact CB-OD1 3.17Å; K27-T69 WeakPolarHBondContact CE-O 3.21Å; K27-V92 HydrophobicContact CG-CB 4.27Å; K27-V92 HydrophobicContact CG-CG2 4.38Å
28	S	94.6	Very high	95.2	Very high	23 Å²	23	26.2 Å²	26.2	16%	0.161	15%	0.148	C	C	.	.	H	α-helix	trans	-64	-40.9	178.5	-46.7	0	0	0	0	112.6	L30 T31 L32 T46 D68	S28-L30 VanDerWaalsContact C-N 3.33Å; S28-L30 PolarHBondContact O-N 3.12Å; S28-T31 PolarHBondContact O-N 3.07Å; S28-L32 WeakPolarHBondContact O-CB 3.37Å; S28-L32 VanDerWaalsContact O-CG 3.29Å; S28-L32 WeakPolarHBondContact O-CG 3.42Å; S28-L32 PolarHBondContact O-N 3.09Å; S28-T46 PolarHBondContact OG-OG1 2.71Å; S28-D68 WeakPolarHBondContact CA-OD2 3.02Å; S28-D68 WeakPolarHBondContact CB-OD2 3.5Å; S28-D68 PolarHBondContact N-OD1 3.17Å; S28-D68 PolarHBondContact OG-OD2 3.32Å
29	A	95.7	Very high	94.8	Very high	20 Å²	20	29.7 Å²	29.7	17%	0.165	16%	0.163	C	C	.	.	H	α-helix	trans	-61.5	-41.2	176.6	0	0	0	0	0	111.9	G26 K27 Q33 F39 A159	G26-A29 PolarHBondContact O-N 3.28Å; K27-A29 PolarHBondContact O-N 3.13Å; A29-Q33 WeakPolarHBondContact O-CB 3.42Å; A29-Q33 PolarHBondContact O-N 3.27Å; A29-F39 HydrophobicContact CB-CD2 4.42Å; A29-F39 HydrophobicContact CB-CE2 4.26Å; A29-A159 HydrophobicContact CB-CB 3.64Å
30	L	97.7	Very high	94.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.7	-44.1	173.9	-72	171.8	0	0	0	111.9	M19 G26 K27 S28 F34 V92 V126 N128 A159 V165 F169	M19-L30 HydrophobicContact CE-CB 4.09Å; M19-L30 HydrophobicContact CE-CD1 4.37Å; G26-L30 WeakPolarHBondContact O-CG 3.5Å; G26-L30 PolarHBondContact O-N 2.79Å; K27-L30 PolarHBondContact O-N 3.13Å; S28-L30 VanDerWaalsContact C-N 3.33Å; S28-L30 PolarHBondContact O-N 3.12Å; L30-F34 WeakPolarHBondContact O-CB 3.37Å; L30-F34 PolarHBondContact O-N 2.81Å; L30-V92 HydrophobicContact CD1-CG1 3.83Å; L30-V92 HydrophobicContact CD1-CG2 4.19Å; L30-V126 HydrophobicContact CD1-CG1 4.25Å; L30-N128 HydrophobicContact CD1-CB 4.3Å; L30-A159 HydrophobicContact CD2-CB 3.94Å; L30-A159 HydrophobicContact CG-CB 4.22Å; L30-V165 HydrophobicContact CD2-CG1 4.46Å; L30-V165 HydrophobicContact CD2-CG2 3.76Å; L30-F169 HydrophobicContact CB-CE2 4.49Å
31	T	96.6	Very high	93.5	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.5	-51.9	178.1	-59.6	0	0	0	0	111.2	K27 S28 Q33 F34 M35 Y51 I66 D68	K27-T31 PolarHBondContact O-N 3.26Å; K27-T31 PolarHBondContact O-OG1 3.3Å; S28-T31 PolarHBondContact O-N 3.07Å; T31-Q33 PolarHBondContact O-N 3.22Å; T31-F34 PolarHBondContact O-N 3.02Å; T31-M35 HydrophobicContact CG2-CG 4.2Å; T31-M35 VanDerWaalsContact O-CB 3.3Å; T31-M35 WeakPolarHBondContact O-CB 3.46Å; T31-M35 WeakPolarHBondContact O-CG 3.46Å; T31-M35 PolarHBondContact O-N 3.44Å; T31-Y51 HydrophobicContact CG2-CD2 3.4Å; T31-Y51 VanDerWaalsContact CG2-CD2 3.4Å; T31-Y51 HydrophobicContact CG2-CE2 3.82Å; T31-Y51 HydrophobicContact CG2-CG 3.91Å; T31-I66 HydrophobicContact CG2-CB 4.32Å; T31-I66 HydrophobicContact CG2-CD1 4.37Å; T31-I66 HydrophobicContact CG2-CG2 3.85Å; T31-D68 HydrophobicContact CG2-CB 4.43Å
32	L	95.3	Very high	92.7	Very high	37 Å²	37	46.5 Å²	46.5	19%	0.194	25%	0.251	C	S	.	.	H	α-helix	trans	-64.3	-41.6	-179.9	-66.7	176	0	0	0	111.9	S28 F34 M35 Y36 V40 Y51	S28-L32 WeakPolarHBondContact O-CB 3.37Å; S28-L32 VanDerWaalsContact O-CG 3.29Å; S28-L32 WeakPolarHBondContact O-CG 3.42Å; S28-L32 PolarHBondContact O-N 3.09Å; L32-F34 VanDerWaalsContact C-N 3.34Å; L32-F34 PolarHBondContact O-N 2.69Å; L32-M35 PolarHBondContact O-N 3.24Å; L32-Y36 HydrophobicContact CD2-CD2 3.88Å; L32-Y36 HydrophobicContact CD2-CE2 3.93Å; L32-Y36 PolarHBondContact O-N 3.23Å; L32-V40 HydrophobicContact CD1-CG2 4.46Å; L32-Y51 HydrophobicContact CD2-CE1 4.07Å
33	Q	97.2	Very high	91.7	Very high	14 Å²	14	51.5 Å²	51.5	7%	0.065	27%	0.267	C	S	.	.	H	α-helix	trans	-59.8	-45.5	175.6	-178.3	64.2	-91.6	0	0	110.7	A29 T31 D37 E38 A159 R162 V165	A29-Q33 WeakPolarHBondContact O-CB 3.42Å; A29-Q33 PolarHBondContact O-N 3.27Å; T31-Q33 PolarHBondContact O-N 3.22Å; Q33-D37 VanDerWaalsContact O-CA 3.26Å; Q33-D37 WeakPolarHBondContact O-CA 3.44Å; Q33-D37 PolarHBondContact O-N 2.84Å; Q33-D37 VanDerWaalsContact OE1-C 3.27Å; Q33-E38 VanDerWaalsContact CA-O 3.23Å; Q33-E38 WeakPolarHBondContact CA-O 3.31Å; Q33-E38 PolarHBondContact N-O 3.28Å; Q33-A159 PolarHBondContact NE2-O 3.27Å; Q33-R162 HydrophobicContact CG-CB 4.28Å; Q33-R162 HydrophobicContact CG-CG 3.85Å; Q33-R162 PolarHBondContact O-NH1 2.87Å; Q33-V165 HydrophobicContact CB-CG1 4.23Å; Q33-V165 HydrophobicContact CG-CB 4.34Å; Q33-V165 HydrophobicContact CG-CG1 4Å; Q33-V165 HydrophobicContact CG-CG2 4.04Å
34	F	97.9	Very high	90.9	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.009	29%	0.292	C	S	.	.	H	α-helix	trans	-67.6	-37	176.2	179	-103.3	0	0	0	113.6	L30 T31 L32 K53 V55 I64 I66 V165 D166 F169 F170	L30-F34 WeakPolarHBondContact O-CB 3.37Å; L30-F34 PolarHBondContact O-N 2.81Å; T31-F34 PolarHBondContact O-N 3.02Å; L32-F34 VanDerWaalsContact C-N 3.34Å; L32-F34 PolarHBondContact O-N 2.69Å; F34-K53 PolarHBondContact O-NZ 3.47Å; F34-V55 HydrophobicContact CZ-CG1 4.25Å; F34-I64 HydrophobicContact CE1-CD1 4.07Å; F34-I64 HydrophobicContact CE1-CG2 3.94Å; F34-I64 HydrophobicContact CZ-CD1 4.47Å; F34-I66 HydrophobicContact CD1-CD1 3.62Å; F34-I66 HydrophobicContact CE1-CD1 3.98Å; F34-V165 HydrophobicContact CB-CG1 3.91Å; F34-D166 WeakPolarHBondContact CD2-OD1 3.39Å; F34-F169 HydrophobicContact CB-CD2 3.57Å; F34-F169 HydrophobicContact CB-CE2 3.44Å; F34-F169 VanDerWaalsContact CB-CE2 3.44Å; F34-F169 HydrophobicContact CB-CG 4.44Å; F34-F169 HydrophobicContact CB-CZ 4.21Å; F34-F169 HydrophobicContact CD1-CB 4.47Å; F34-F169 HydrophobicContact CD1-CD1 4.33Å; F34-F169 AromaticContact CD1-CD2 3.98Å; F34-F169 HydrophobicContact CD1-CD2 3.98Å; F34-F169 HydrophobicContact CD1-CE2 4.3Å; F34-F169 HydrophobicContact CD1-CG 4.01Å; F34-F169 HydrophobicContact CD2-CB 3.94Å; F34-F169 AromaticContact CD2-CD2 3.54Å; F34-F169 HydrophobicContact CD2-CD2 3.54Å; F34-F169 HydrophobicContact CD2-CE2 4.32Å; F34-F169 AromaticContact CD2-CG 3.93Å; F34-F169 HydrophobicContact CD2-CG 3.93Å; F34-F169 HydrophobicContact CE1-CB 4.25Å; F34-F169 HydrophobicContact CE1-CG 4.22Å; F34-F169 HydrophobicContact CE2-CB 3.68Å; F34-F169 HydrophobicContact CE2-CD2 4.2Å; F34-F169 HydrophobicContact CE2-CG 4.14Å; F34-F169 HydrophobicContact CG-CB 4.31Å; F34-F169 AromaticContact CG-CD2 3.39Å; F34-F169 HydrophobicContact CG-CD2 3.39Å; F34-F169 AromaticContact CG-CE2 3.77Å; F34-F169 HydrophobicContact CG-CE2 3.77Å; F34-F169 AromaticContact CG-CG 3.85Å; F34-F169 HydrophobicContact CG-CG 3.85Å; F34-F169 HydrophobicContact CG-CZ 4.48Å; F34-F169 HydrophobicContact CZ-CB 3.84Å; F34-F169 HydrophobicContact CZ-CG 4.27Å; F34-F170 HydrophobicContact CE2-CD2 4.25Å; F34-F170 AromaticContact CE2-CE2 3.96Å; F34-F170 HydrophobicContact CE2-CE2 3.96Å; F34-F170 HydrophobicContact CZ-CE2 4.44Å
35	M	96	Very high	90.3	Very high	13 Å²	13	61.1 Å²	61.1	6%	0.064	31%	0.307	C	S	.	.	H	α-helix	trans	-75	-48.8	-176	-74	-63.2	-56.8	0	0	112.4	T31 L32 Y51 K53 I66	T31-M35 HydrophobicContact CG2-CG 4.2Å; T31-M35 VanDerWaalsContact O-CB 3.3Å; T31-M35 WeakPolarHBondContact O-CB 3.46Å; T31-M35 WeakPolarHBondContact O-CG 3.46Å; T31-M35 PolarHBondContact O-N 3.44Å; L32-M35 PolarHBondContact O-N 3.24Å; M35-Y51 HydrophobicContact CG-CD1 4.42Å; M35-Y51 HydrophobicContact CG-CG 4.27Å; M35-K53 HydrophobicContact CE-CB 3.74Å; M35-K53 HydrophobicContact CE-CD 4.45Å; M35-K53 PolarHBondContact O-NZ 3.01Å; M35-K53 HydrophobicContact SD-CB 3.68Å; M35-K53 HydrophobicContact SD-CD 4.16Å; M35-I66 HydrophobicContact CG-CD1 4.41Å; M35-I66 HydrophobicContact SD-CD1 4.14Å
36	Y	95.1	Very high	89.2	Confident	126 Å²	126	62.7 Å²	62.7	49%	0.494	32%	0.316	S	S	.	.	H	α-helix	trans	-125.1	-0.8	-165	-54	-59.2	0	0	0	114.5	L32 E38 Y51	L32-Y36 HydrophobicContact CD2-CD2 3.88Å; L32-Y36 HydrophobicContact CD2-CE2 3.93Å; L32-Y36 PolarHBondContact O-N 3.23Å; Y36-E38 PolarHBondContact O-N 3.09Å; Y36-Y51 HydrophobicContact CE2-CD1 4.08Å; Y36-Y51 HydrophobicContact CE2-CE1 4.14Å
37	D	94.9	Very high	88.3	Confident	102 Å²	102	71 Å²	71	55%	0.545	35%	0.348	S	S	.	.	S	Bend	trans	60.7	33.5	-175.7	-48.3	-28.9	0	0	0	112.7	Q33 R162	Q33-D37 VanDerWaalsContact O-CA 3.26Å; Q33-D37 WeakPolarHBondContact O-CA 3.44Å; Q33-D37 PolarHBondContact O-N 2.84Å; Q33-D37 VanDerWaalsContact OE1-C 3.27Å; D37-R162 IonicContact OD1-CZ 3.11Å; D37-R162 IonicContact OD1-NH1 2.68Å; D37-R162 PolarHBondContact OD1-NH1 3.23Å; D37-R162 IonicContact OD1-NH2 3.99Å; D37-R162 PolarHBondContact OD1-NH2 2.67Å
38	E	90.8	Very high	87.6	Confident	112 Å²	112	71.9 Å²	71.9	52%	0.523	36%	0.358	S	S	.	.			trans	-116.9	144	-177.6	-70	-178	177.3	0	0	112.1	Q33 Y36	Q33-E38 VanDerWaalsContact CA-O 3.23Å; Q33-E38 WeakPolarHBondContact CA-O 3.31Å; Q33-E38 PolarHBondContact N-O 3.28Å; Y36-E38 PolarHBondContact O-N 3.09Å
39	F	90.1	Very high	87.4	Confident	76 Å²	76	74.7 Å²	74.7	33%	0.333	37%	0.371	S	S	.	.			trans	-123.5	113.5	170.4	178.6	-111.2	0	0	0	109.6	A29 E41 A159 K160	A29-F39 HydrophobicContact CB-CD2 4.42Å; A29-F39 HydrophobicContact CB-CE2 4.26Å; F39-E41 HydrophobicContact CD1-CG 3.93Å; F39-E41 HydrophobicContact CE1-CG 3.41Å; F39-E41 VanDerWaalsContact CE1-CG 3.41Å; F39-E41 HydrophobicContact CZ-CG 4.24Å; F39-A159 HydrophobicContact CD2-CB 4.12Å; F39-A159 WeakPolarHBondContact CD2-O 3.46Å; F39-A159 HydrophobicContact CE2-CB 4.08Å; F39-K160 HydrophobicContact CD1-CB 4.2Å; F39-K160 HydrophobicContact CD1-CG 3.98Å; F39-K160 HydrophobicContact CD2-CB 4.37Å; F39-K160 HydrophobicContact CE1-CB 3.78Å; F39-K160 HydrophobicContact CE1-CD 3.99Å; F39-K160 HydrophobicContact CE1-CG 3.62Å; F39-K160 HydrophobicContact CE2-CB 4Å; F39-K160 HydrophobicContact CG-CB 4.46Å; F39-K160 HydrophobicContact CZ-CB 3.7Å; F39-K160 HydrophobicContact CZ-CD 4.38Å; F39-K160 HydrophobicContact CZ-CG 4.06Å
40	V	83.7	Confident	87.2	Confident	79 Å²	79	76.4 Å²	76.4	48%	0.479	38%	0.381	S	S	.	.			trans	-97.3	117.2	176.5	-176.5	0	0	0	0	108.2	L32	L32-V40 HydrophobicContact CD1-CG2 4.46Å
41	E	79.4	Confident	87.2	Confident	138 Å²	138	78 Å²	78	65%	0.645	39%	0.388	S	S	*	.			trans	-74.5	-34	-178.8	-76.8	-168	168.7	0	0	112.8	F39 Y43 K160	F39-E41 HydrophobicContact CD1-CG 3.93Å; F39-E41 HydrophobicContact CE1-CG 3.41Å; F39-E41 VanDerWaalsContact CE1-CG 3.41Å; F39-E41 HydrophobicContact CZ-CG 4.24Å; E41-Y43 PolarHBondContact O-N 3.06Å; E41-K160 IonicContact OE1-NZ 2.78Å
42	D	79.5	Confident	87.2	Confident	139 Å²	139	84.8 Å²	84.8	74%	0.743	41%	0.413	S	S	*	.	S	Bend	trans	-71.6	118.7	-179.2	-68.1	-36.8	0	0	0	110.6	E44	D42-E44 PolarHBondContact O-N 3.48Å
43	Y	70.9	Confident	87.2	Confident	129 Å²	129	85.9 Å²	85.9	51%	0.506	42%	0.416	S	S	.	.			trans	-82	104.9	177.9	179.2	-105.5	0	0	0	110.7	G24 E41 P45	G24-Y43 PolarHBondContact N-OH 3.26Å; G24-Y43 VanDerWaalsContact N-OH 3.17Å; E41-Y43 PolarHBondContact O-N 3.06Å; Y43-P45 HydrophobicContact CD1-CG 4.43Å; Y43-P45 HydrophobicContact CE1-CB 4.45Å; Y43-P45 HydrophobicContact CE1-CG 3.83Å
44	E	75.4	Confident	87.2	Confident	161 Å²	161	91.1 Å²	91.1	75%	0.752	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-97.9	123.3	161.7	-65	-167.9	159.6	0	0	109.3	D42 T46	D42-E44 PolarHBondContact O-N 3.48Å; E44-T46 PolarHBondContact O-N 3.27Å; E44-T46 VanDerWaalsContact O-N 3.1Å
45	P	78.6	Confident	87.2	Confident	88 Å²	88	91.8 Å²	91.8	57%	0.571	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-54.7	118.6	173.9	-26.2	33.8	0	0	0	111.8	Y43 K47	Y43-P45 HydrophobicContact CD1-CG 4.43Å; Y43-P45 HydrophobicContact CE1-CB 4.45Å; Y43-P45 HydrophobicContact CE1-CG 3.83Å; P45-K47 PolarHBondContact O-N 2.96Å
46	T	73.3	Confident	87.3	Confident	32 Å²	32	95.7 Å²	95.7	20%	0.196	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-70.6	130.9	-172.5	-46.5	0	0	0	0	112.3	S28 E44 D68 A70	S28-T46 PolarHBondContact OG-OG1 2.71Å; E44-T46 PolarHBondContact O-N 3.27Å; E44-T46 VanDerWaalsContact O-N 3.1Å; T46-D68 WeakPolarHBondContact CG2-OD2 3.38Å; T46-A70 WeakPolarHBondContact O-CA 3.34Å; T46-A70 VanDerWaalsContact O-CB 3.26Å; T46-A70 WeakPolarHBondContact O-CB 3.34Å
47	K	76.5	Confident	87.4	Confident	190 Å²	190	89.7 Å²	89.7	83%	0.826	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-79.2	134.3	156.1	-175.5	178.7	-179.6	-177.7	0	107.5	P45 D49	P45-K47 PolarHBondContact O-N 2.96Å; K47-D49 PolarHBondContact O-N 3.29Å
48	A	81	Confident	87.5	Confident	29 Å²	29	89 Å²	89	24%	0.24	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-51.3	128	-176	0	0	0	0	0	112.1	D68 Y82	A48-D68 CarbonylContact C-O 3.57Å; A48-D68 WeakPolarHBondContact CA-O 3.19Å; A48-Y82 HydrophobicContact CB-CE2 4.23Å
49	D	89.6	Confident	87.8	Confident	82 Å²	82	87.1 Å²	87.1	44%	0.439	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	153.2	-175.4	-157.6	3.2	0	0	0	111.7	K47 Y51 D68	K47-D49 PolarHBondContact O-N 3.29Å; D49-Y51 HydrophobicContact CB-CE2 3.91Å; D49-Y51 PolarHBondContact OD2-OH 3.34Å; D49-D68 PolarHBondContact N-O 3.16Å; D49-D68 PolarHBondContact O-N 3.4Å
50	S	92.8	Very high	88.1	Confident	55 Å²	55	87.8 Å²	87.8	39%	0.385	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.1	-177.2	167.3	0	0	0	0	110.9	D65 I66	S50-D65 PolarHBondContact OG-OD1 2.73Å; S50-I66 CarbonylContact C-O 3.54Å; S50-I66 WeakPolarHBondContact CA-O 3.36Å
51	Y	96.2	Very high	88.7	Confident	34 Å²	34	88.7 Å²	88.7	13%	0.133	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	132.3	-178.7	-60.9	-88.9	0	0	0	110.4	T31 L32 M35 Y36 D49 D65 I66 D68	T31-Y51 HydrophobicContact CG2-CD2 3.4Å; T31-Y51 VanDerWaalsContact CG2-CD2 3.4Å; T31-Y51 HydrophobicContact CG2-CE2 3.82Å; T31-Y51 HydrophobicContact CG2-CG 3.91Å; L32-Y51 HydrophobicContact CD2-CE1 4.07Å; M35-Y51 HydrophobicContact CG-CD1 4.42Å; M35-Y51 HydrophobicContact CG-CG 4.27Å; Y36-Y51 HydrophobicContact CE2-CD1 4.08Å; Y36-Y51 HydrophobicContact CE2-CE1 4.14Å; D49-Y51 HydrophobicContact CB-CE2 3.91Å; D49-Y51 PolarHBondContact OD2-OH 3.34Å; Y51-D65 CarbonylContact O-C 3.58Å; Y51-D65 WeakPolarHBondContact O-CA 3.33Å; Y51-I66 PolarHBondContact N-O 3.35Å; Y51-I66 PolarHBondContact O-N 2.81Å; Y51-D68 HydrophobicContact CD2-CB 4.43Å; Y51-D68 HydrophobicContact CE2-CB 4.06Å
52	R	97.2	Very high	89.6	Confident	143 Å²	143	82.1 Å²	82.1	54%	0.54	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.5	179.1	-70.5	-176.9	179.1	179.3	1.7	112.3	I64 D65	R52-I64 VanDerWaalsContact CA-O 3.3Å; R52-I64 WeakPolarHBondContact CA-O 3.46Å; R52-D65 HydrophobicContact CG-CB 4Å; R52-D65 IonicContact CZ-OD2 2.67Å; R52-D65 IonicContact NE-OD1 3.5Å; R52-D65 IonicContact NE-OD2 3.98Å; R52-D65 PolarHBondContact NE-OD2 3.11Å; R52-D65 IonicContact NH2-OD2 3.38Å; R52-D65 PolarHBondContact NH2-OD2 2.98Å
53	K	95.9	Very high	90.5	Very high	59 Å²	59	78 Å²	78	26%	0.257	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144.9	177.5	-173.7	168.1	177.5	169.9	0	110.1	F34 M35 V55 Q63 I64	F34-K53 PolarHBondContact O-NZ 3.47Å; M35-K53 HydrophobicContact CE-CB 3.74Å; M35-K53 HydrophobicContact CE-CD 4.45Å; M35-K53 PolarHBondContact O-NZ 3.01Å; M35-K53 HydrophobicContact SD-CB 3.68Å; M35-K53 HydrophobicContact SD-CD 4.16Å; K53-V55 HydrophobicContact CD-CG1 4.32Å; K53-V55 HydrophobicContact CG-CG1 4Å; K53-Q63 WeakPolarHBondContact O-CA 3.35Å; K53-I64 HydrophobicContact CB-CG2 4.1Å; K53-I64 PolarHBondContact N-O 2.85Å; K53-I64 VanDerWaalsContact N-O 3.13Å; K53-I64 WeakPolarHBondContact O-CG2 3.41Å; K53-I64 PolarHBondContact O-N 3.45Å
54	K	97.6	Very high	91.8	Very high	125 Å²	125	71.9 Å²	71.9	54%	0.543	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.7	167.1	-64.7	-172.2	177.2	-169.8	0	108.9	L12 E61 V62	L12-K54 HydrophobicContact CD1-CD 3.8Å; L12-K54 HydrophobicContact CD1-CG 4.21Å; K54-E61 WeakPolarHBondContact CD-OE1 3.46Å; K54-E61 IonicContact NZ-OE1 2.78Å; K54-V62 WeakPolarHBondContact CA-O 3.4Å
55	V	97.7	Very high	92.9	Very high	16 Å²	16	64.9 Å²	64.9	10%	0.097	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	158.8	-177.9	-62.7	0	0	0	0	110	F34 K53 V62 F170 M173	F34-V55 HydrophobicContact CZ-CG1 4.25Å; K53-V55 HydrophobicContact CD-CG1 4.32Å; K53-V55 HydrophobicContact CG-CG1 4Å; V55-V62 HydrophobicContact CG2-CG2 3.67Å; V55-V62 PolarHBondContact N-O 3.17Å; V55-V62 PolarHBondContact O-N 3.31Å; V55-F170 HydrophobicContact CB-CE1 4.35Å; V55-F170 HydrophobicContact CB-CZ 4.12Å; V55-F170 HydrophobicContact CG1-CZ 4.5Å; V55-F170 HydrophobicContact CG2-CE1 4.34Å; V55-M173 HydrophobicContact CG2-CE 3.94Å; V55-M173 HydrophobicContact CG2-SD 4.04Å
56	V	97.9	Very high	93.8	Very high	95 Å²	95	60.7 Å²	60.7	58%	0.576	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	106.2	173	179.7	0	0	0	0	108.5	E60 F170	V56-E60 CarbonylContact C-O 3.57Å; V56-E60 WeakPolarHBondContact CA-O 3.43Å; V56-F170 WeakPolarHBondContact O-CE1 3.49Å
57	L	97.6	Very high	94.9	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	104.9	177.9	178.2	67.1	0	0	0	109.7	G59 E60 V62 F170 M173 R174	L57-G59 PolarHBondContact O-N 3.4Å; L57-E60 PolarHBondContact N-O 3.49Å; L57-E60 PolarHBondContact O-N 2.92Å; L57-E60 VanDerWaalsContact O-N 3.09Å; L57-V62 HydrophobicContact CB-CG1 4.34Å; L57-V62 HydrophobicContact CB-CG2 3.64Å; L57-V62 HydrophobicContact CD2-CG2 4.32Å; L57-F170 HydrophobicContact CD1-CD1 3.64Å; L57-F170 HydrophobicContact CD1-CE1 4.33Å; L57-M173 HydrophobicContact CD1-CB 4.22Å; L57-M173 HydrophobicContact CD2-CB 3.87Å; L57-R174 HydrophobicContact CD1-CG 3.89Å
58	D	96.7	Very high	95.7	Very high	88 Å²	88	51.4 Å²	51.4	47%	0.471	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	41.3	179.8	-47.5	-38.3	0	0	0	113.1	R174 R177	D58-R174 IonicContact OD1-CZ 2.84Å; D58-R174 IonicContact OD1-NE 3.93Å; D58-R174 PolarHBondContact OD1-NE 3.44Å; D58-R174 VanDerWaalsContact OD1-NE 3.11Å; D58-R174 IonicContact OD1-NH2 3.21Å; D58-R174 PolarHBondContact OD1-NH2 3.19Å; D58-R174 IonicContact OD2-NE 2.89Å; D58-R174 PolarHBondContact OD2-NE 3.07Å; D58-R177 IonicContact OD2-CZ 3.44Å; D58-R177 IonicContact OD2-NH1 3.44Å; D58-R177 PolarHBondContact OD2-NH1 2.87Å; D58-R177 IonicContact OD2-NH2 2.69Å; D58-R177 PolarHBondContact OD2-NH2 2.89Å
59	G	96.5	Very high	96.1	Very high	71 Å²	71	50.5 Å²	50.5	73%	0.732	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	-5.5	179	0	0	0	0	0	115.7	L57	L57-G59 PolarHBondContact O-N 3.4Å
60	E	95.8	Very high	95.6	Very high	91 Å²	91	47.6 Å²	47.6	43%	0.425	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.1	177.3	-172.3	-179.7	176.2	0	0	111	V56 L57 V62	V56-E60 CarbonylContact C-O 3.57Å; V56-E60 WeakPolarHBondContact CA-O 3.43Å; L57-E60 PolarHBondContact N-O 3.49Å; L57-E60 PolarHBondContact O-N 2.92Å; L57-E60 VanDerWaalsContact O-N 3.09Å; E60-V62 HydrophobicContact CB-CG1 4.49Å; E60-V62 HydrophobicContact CG-CG1 4.13Å; E60-V62 PolarHBondContact O-N 3.48Å
61	E	97.5	Very high	94.3	Very high	97 Å²	97	45.9 Å²	45.9	45%	0.453	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	120.4	171.7	-168.9	-175.7	-175	0	0	109.4	L12 K54	L12-E61 HydrophobicContact CD1-CG 4.1Å; L12-E61 HydrophobicContact CD2-CB 4.06Å; L12-E61 HydrophobicContact CD2-CG 3.97Å; L12-E61 WeakPolarHBondContact CD2-O 3.18Å; K54-E61 WeakPolarHBondContact CD-OE1 3.46Å; K54-E61 IonicContact NZ-OE1 2.78Å
62	V	97.7	Very high	92.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	164.5	178.1	-57.3	0	0	0	0	109.9	A13 K54 V55 L57 E60 M173	A13-V62 HydrophobicContact CB-CG1 4.13Å; K54-V62 WeakPolarHBondContact CA-O 3.4Å; V55-V62 HydrophobicContact CG2-CG2 3.67Å; V55-V62 PolarHBondContact N-O 3.17Å; V55-V62 PolarHBondContact O-N 3.31Å; L57-V62 HydrophobicContact CB-CG1 4.34Å; L57-V62 HydrophobicContact CB-CG2 3.64Å; L57-V62 HydrophobicContact CD2-CG2 4.32Å; E60-V62 HydrophobicContact CB-CG1 4.49Å; E60-V62 HydrophobicContact CG-CG1 4.13Å; E60-V62 PolarHBondContact O-N 3.48Å; V62-M173 HydrophobicContact CG2-SD 4.37Å
63	Q	97.8	Very high	91	Very high	53 Å²	53	52.7 Å²	52.7	25%	0.248	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.6	172.2	-170.4	170.8	24.4	0	0	109.4	A13 L14 H15 K53	A13-Q63 PolarHBondContact O-N 3.27Å; L14-Q63 CarbonylContact C-O 3.52Å; L14-Q63 VanDerWaalsContact CA-O 3.29Å; L14-Q63 WeakPolarHBondContact CA-O 3.33Å; L14-Q63 HydrophobicContact CD1-CB 3.88Å; L14-Q63 HydrophobicContact CD1-CG 3.75Å; H15-Q63 PolarHBondContact N-O 2.93Å; K53-Q63 WeakPolarHBondContact O-CA 3.35Å
64	I	98.3	Very high	89.3	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	139.3	168.6	-171.4	177.3	0	0	0	109	H15 V17 F34 R52 K53 I66 F169 M173	H15-I64 WeakPolarHBondContact O-CA 3.5Å; V17-I64 HydrophobicContact CB-CD1 4.5Å; V17-I64 HydrophobicContact CG2-CD1 3.96Å; V17-I64 HydrophobicContact CG2-CG1 4.13Å; F34-I64 HydrophobicContact CE1-CD1 4.07Å; F34-I64 HydrophobicContact CE1-CG2 3.94Å; F34-I64 HydrophobicContact CZ-CD1 4.47Å; R52-I64 VanDerWaalsContact CA-O 3.3Å; R52-I64 WeakPolarHBondContact CA-O 3.46Å; K53-I64 HydrophobicContact CB-CG2 4.1Å; K53-I64 PolarHBondContact N-O 2.85Å; K53-I64 VanDerWaalsContact N-O 3.13Å; K53-I64 WeakPolarHBondContact O-CG2 3.41Å; K53-I64 PolarHBondContact O-N 3.45Å; I64-I66 HydrophobicContact CD1-CD1 4.01Å; I64-I66 HydrophobicContact CD1-CG1 3.75Å; I64-I66 HydrophobicContact CG1-CD1 4.5Å; I64-I66 HydrophobicContact CG1-CG1 3.86Å; I64-F169 HydrophobicContact CD1-CB 4.42Å; I64-F169 HydrophobicContact CD1-CD1 3.96Å; I64-M173 HydrophobicContact CB-SD 3.8Å; I64-M173 HydrophobicContact CD1-CE 4.3Å; I64-M173 HydrophobicContact CD1-CG 4.09Å; I64-M173 HydrophobicContact CD1-SD 3.83Å; I64-M173 HydrophobicContact CG1-CG 4.45Å; I64-M173 HydrophobicContact CG1-SD 4.04Å
65	D	98	Very high	87.8	Confident	15 Å²	15	54.5 Å²	54.5	8%	0.08	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	109	171.8	-173.7	-15.3	0	0	0	107.4	L14 H15 K16 V17 S50 Y51 R52	L14-D65 HydrophobicContact CD1-CB 3.93Å; H15-D65 PolarHBondContact O-N 3.44Å; K16-D65 CarbonylContact C-O 3.38Å; K16-D65 WeakPolarHBondContact CA-O 3.49Å; K16-D65 HydrophobicContact CG-CB 4.39Å; V17-D65 PolarHBondContact N-O 3.12Å; S50-D65 PolarHBondContact OG-OD1 2.73Å; Y51-D65 CarbonylContact O-C 3.58Å; Y51-D65 WeakPolarHBondContact O-CA 3.33Å; R52-D65 HydrophobicContact CG-CB 4Å; R52-D65 IonicContact CZ-OD2 2.67Å; R52-D65 IonicContact NE-OD1 3.5Å; R52-D65 IonicContact NE-OD2 3.98Å; R52-D65 PolarHBondContact NE-OD2 3.11Å; R52-D65 IonicContact NH2-OD2 3.38Å; R52-D65 PolarHBondContact NH2-OD2 2.98Å
66	I	97.9	Very high	86.6	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116.1	-178.3	-54.9	168.5	0	0	0	107.5	V17 M19 T31 F34 M35 S50 Y51 I64 F169	V17-I66 HydrophobicContact CB-CG1 4.5Å; V17-I66 CarbonylContact O-C 3.47Å; V17-I66 WeakPolarHBondContact O-CA 3.45Å; M19-I66 HydrophobicContact CG-CG2 3.74Å; M19-I66 HydrophobicContact SD-CG2 4.05Å; T31-I66 HydrophobicContact CG2-CB 4.32Å; T31-I66 HydrophobicContact CG2-CD1 4.37Å; T31-I66 HydrophobicContact CG2-CG2 3.85Å; F34-I66 HydrophobicContact CD1-CD1 3.62Å; F34-I66 HydrophobicContact CE1-CD1 3.98Å; M35-I66 HydrophobicContact CG-CD1 4.41Å; M35-I66 HydrophobicContact SD-CD1 4.14Å; S50-I66 CarbonylContact C-O 3.54Å; S50-I66 WeakPolarHBondContact CA-O 3.36Å; Y51-I66 PolarHBondContact N-O 3.35Å; Y51-I66 PolarHBondContact O-N 2.81Å; I64-I66 HydrophobicContact CD1-CD1 4.01Å; I64-I66 HydrophobicContact CD1-CG1 3.75Å; I64-I66 HydrophobicContact CG1-CD1 4.5Å; I64-I66 HydrophobicContact CG1-CG1 3.86Å; I66-F169 HydrophobicContact CD1-CD1 3.89Å; I66-F169 HydrophobicContact CD1-CE1 3.5Å; I66-F169 VanDerWaalsContact CD1-CE1 3.5Å; I66-F169 HydrophobicContact CD1-CZ 4.08Å; I66-F169 HydrophobicContact CG1-CD1 4.37Å; I66-F169 HydrophobicContact CG1-CE1 4.02Å; I66-F169 HydrophobicContact CG2-CE1 4.19Å
67	L	96	Very high	85.5	Confident	26 Å²	26	55.1 Å²	55.1	14%	0.136	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	108.9	165.4	-173.8	72.1	0	0	0	108.8	V17 I18 M19 T69 Y82	V17-L67 PolarHBondContact O-N 2.89Å; I18-L67 HydrophobicContact CD1-CB 3.62Å; I18-L67 HydrophobicContact CD1-CD2 3.86Å; I18-L67 HydrophobicContact CD1-CG 4.39Å; I18-L67 HydrophobicContact CG2-CD2 4.45Å; M19-L67 PolarHBondContact N-O 3.48Å; L67-T69 HydrophobicContact CD2-CG2 4.22Å; L67-T69 HydrophobicContact CG-CG2 4.29Å; L67-Y82 HydrophobicContact CD2-CD1 3.4Å; L67-Y82 VanDerWaalsContact CD2-CD1 3.4Å; L67-Y82 HydrophobicContact CD2-CD2 4.18Å; L67-Y82 HydrophobicContact CD2-CE1 4.03Å; L67-Y82 HydrophobicContact CD2-CG 3.49Å; L67-Y82 VanDerWaalsContact CD2-CG 3.49Å
68	D	93.3	Very high	84.7	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	117.2	170	-174.1	27.3	0	0	0	109	K27 S28 T31 T46 A48 D49 Y51	K27-D68 VanDerWaalsContact CB-OD1 3.31Å; K27-D68 WeakPolarHBondContact CB-OD1 3.17Å; S28-D68 WeakPolarHBondContact CA-OD2 3.02Å; S28-D68 WeakPolarHBondContact CB-OD2 3.5Å; S28-D68 PolarHBondContact N-OD1 3.17Å; S28-D68 PolarHBondContact OG-OD2 3.32Å; T31-D68 HydrophobicContact CG2-CB 4.43Å; T46-D68 WeakPolarHBondContact CG2-OD2 3.38Å; A48-D68 CarbonylContact C-O 3.57Å; A48-D68 WeakPolarHBondContact CA-O 3.19Å; D49-D68 PolarHBondContact N-O 3.16Å; D49-D68 PolarHBondContact O-N 3.4Å; Y51-D68 HydrophobicContact CD2-CB 4.43Å; Y51-D68 HydrophobicContact CE2-CB 4.06Å
69	T	89.8	Confident	84	Confident	11 Å²	11	55.9 Å²	55.9	7%	0.067	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-95.8	155.4	-176.4	75.8	0	0	0	0	111.3	I18 M19 K27 L67 G71 Y82	I18-T69 HydrophobicContact CG2-CG2 3.91Å; M19-T69 WeakPolarHBondContact O-CG2 3.47Å; M19-T69 PolarHBondContact O-OG1 2.99Å; M19-T69 VanDerWaalsContact O-OG1 3.11Å; K27-T69 WeakPolarHBondContact CE-O 3.21Å; L67-T69 HydrophobicContact CD2-CG2 4.22Å; L67-T69 HydrophobicContact CG-CG2 4.29Å; T69-G71 PolarHBondContact O-N 2.89Å; T69-Y82 HydrophobicContact CG2-CD2 4.05Å
70	A	80.4	Confident	83.7	Confident	21 Å²	21	54.2 Å²	54.2	17%	0.174	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-58.3	137.8	161.6	0	0	0	0	0	108.7	T46 Q72	T46-A70 WeakPolarHBondContact O-CA 3.34Å; T46-A70 VanDerWaalsContact O-CB 3.26Å; T46-A70 WeakPolarHBondContact O-CB 3.34Å; A70-Q72 VanDerWaalsContact C-N 3.25Å
71	G	64.5	Low	83.4	Confident	18 Å²	18	54.3 Å²	54.3	19%	0.186	28%	0.283	C	S	.	.	S	Bend	trans	-83.4	-3.4	173	0	0	0	0	0	113.9	G21 S22 G23 T69	G21-G71 WeakPolarHBondContact O-CA 3.32Å; S22-G71 CarbonylContact C-O 3.46Å; G23-G71 PolarHBondContact N-O 3.5Å; G23-G71 VanDerWaalsContact N-O 3.08Å; T69-G71 PolarHBondContact O-N 2.89Å
72	Q	62.7	Low	83.1	Confident	138 Å²	138	52.3 Å²	52.3	65%	0.645	27%	0.272	S	S	*	.	S	Bend	trans	-97.3	161.6	173.9	-68.1	-171.3	-6.7	0	0	109.5	A70 D74	A70-Q72 VanDerWaalsContact C-N 3.25Å; Q72-D74 VanDerWaalsContact C-N 3.28Å; Q72-D74 PolarHBondContact O-N 2.89Å
73	E	60.4	Low	82.9	Confident	182 Å²	182	52.5 Å²	52.5	85%	0.85	27%	0.273	S	S	*	.			trans	-56.3	79.6	-169.9	-60.7	176.4	-171.8	0	0	113.8	Y75	E73-Y75 PolarHBondContact O-N 3Å
74	D	61.1	Low	82.7	Confident	33 Å²	33	56.1 Å²	56.1	18%	0.176	28%	0.284	C	S	.	.			trans	-51.5	131.4	155.6	-77.6	-37.1	0	0	0	106.7	Q72 A76 I78 R79 Y82	Q72-D74 VanDerWaalsContact C-N 3.28Å; Q72-D74 PolarHBondContact O-N 2.89Å; D74-A76 PolarHBondContact O-N 3.49Å; D74-I78 HydrophobicContact CB-CB 4.49Å; D74-I78 HydrophobicContact CB-CG2 4.45Å; D74-R79 HydrophobicContact CB-CB 4.38Å; D74-R79 PolarHBondContact O-NH1 3.2Å; D74-R79 PolarHBondContact O-NH2 3.15Å; D74-Y82 WeakPolarHBondContact OD2-CE2 3.41Å
75	Y	66.9	Low	82.5	Confident	190 Å²	190	58.9 Å²	58.9	75%	0.745	30%	0.304	S	S	*	.			trans	-43	130.7	173.5	-78	-88.2	0	0	0	108.5	E73 A77 I78 R79	E73-Y75 PolarHBondContact O-N 3Å; Y75-A77 PolarHBondContact O-N 2.92Å; Y75-I78 HydrophobicContact CD2-CD1 4.24Å; Y75-I78 WeakPolarHBondContact O-CA 3.23Å; Y75-I78 WeakPolarHBondContact O-CB 3.41Å; Y75-I78 PolarHBondContact O-N 3.41Å; Y75-R79 PolarHBondContact O-N 3.3Å
76	A	71.8	Confident	82.3	Confident	55 Å²	55	58.2 Å²	58.2	46%	0.455	30%	0.3	S	S	.	.	H	α-helix	trans	-48.8	-35.6	-171.5	0	0	0	0	0	113.1	D74 R79 D80	D74-A76 PolarHBondContact O-N 3.49Å; A76-R79 PolarHBondContact O-N 2.95Å; A76-D80 WeakPolarHBondContact O-CB 3.38Å; A76-D80 PolarHBondContact O-N 3.08Å
77	A	74.6	Confident	82.3	Confident	68 Å²	68	60.5 Å²	60.5	56%	0.562	31%	0.311	S	S	*	.	H	α-helix	trans	-64.3	-37	175.5	0	0	0	0	0	114.7	Y75 N81	Y75-A77 PolarHBondContact O-N 2.92Å; A77-N81 PolarHBondContact O-N 2.79Å; A77-N81 PolarHBondContact O-ND2 2.81Å
78	I	80.5	Confident	82.4	Confident	66 Å²	66	59.3 Å²	59.3	34%	0.338	31%	0.305	S	S	.	.	H	α-helix	trans	-68.2	-46.4	176.3	-62.6	176.9	0	0	0	109.4	D74 Y75 D80 N81 Y82	D74-I78 HydrophobicContact CB-CB 4.49Å; D74-I78 HydrophobicContact CB-CG2 4.45Å; Y75-I78 HydrophobicContact CD2-CD1 4.24Å; Y75-I78 WeakPolarHBondContact O-CA 3.23Å; Y75-I78 WeakPolarHBondContact O-CB 3.41Å; Y75-I78 PolarHBondContact O-N 3.41Å; I78-D80 VanDerWaalsContact C-N 3.35Å; I78-D80 PolarHBondContact O-N 2.55Å; I78-N81 WeakPolarHBondContact O-CB 3.28Å; I78-N81 PolarHBondContact O-N 3.12Å; I78-N81 VanDerWaalsContact O-N 3.08Å; I78-Y82 HydrophobicContact CG2-CD2 4.21Å; I78-Y82 HydrophobicContact CG2-CE1 4.07Å; I78-Y82 HydrophobicContact CG2-CE2 3.48Å; I78-Y82 VanDerWaalsContact CG2-CE2 3.48Å; I78-Y82 WeakPolarHBondContact CG2-OH 3.25Å; I78-Y82 PolarHBondContact O-N 3.16Å
79	R	83.2	Confident	82.7	Confident	39 Å²	39	59.3 Å²	59.3	15%	0.147	31%	0.305	C	S	.	.	H	α-helix	trans	-60.7	-42.6	177.3	177.9	161.6	50.1	-125.9	-6.6	112.2	D74 Y75 A76 N81 Y82 F83	D74-R79 HydrophobicContact CB-CB 4.38Å; D74-R79 PolarHBondContact O-NH1 3.2Å; D74-R79 PolarHBondContact O-NH2 3.15Å; Y75-R79 PolarHBondContact O-N 3.3Å; A76-R79 PolarHBondContact O-N 2.95Å; R79-N81 VanDerWaalsContact C-N 3.25Å; R79-N81 PolarHBondContact O-N 3Å; R79-Y82 WeakPolarHBondContact O-CB 3.02Å; R79-Y82 PolarHBondContact O-N 3.02Å; R79-F83 HydrophobicContact CG-CD1 4.46Å; R79-F83 HydrophobicContact CG-CD2 3.96Å; R79-F83 HydrophobicContact CG-CE1 3.93Å; R79-F83 HydrophobicContact CG-CE2 3.36Å; R79-F83 HydrophobicContact CG-CG 4.49Å; R79-F83 HydrophobicContact CG-CZ 3.36Å; R79-F83 WeakPolarHBondContact O-CG 3.35Å; R79-F83 PolarHBondContact O-N 3.23Å
80	D	89.1	Confident	83.1	Confident	35 Å²	35	58.8 Å²	58.8	19%	0.187	30%	0.301	C	S	.	.	H	α-helix	trans	-60.2	-35.2	174.6	-79.4	3.8	0	0	0	112.1	A76 I78 R84 R113 V114	A76-D80 WeakPolarHBondContact O-CB 3.38Å; A76-D80 PolarHBondContact O-N 3.08Å; I78-D80 VanDerWaalsContact C-N 3.35Å; I78-D80 PolarHBondContact O-N 2.55Å; D80-R84 VanDerWaalsContact O-CB 3.28Å; D80-R84 WeakPolarHBondContact O-CB 3.29Å; D80-R84 PolarHBondContact O-N 3.36Å; D80-R113 IonicContact OD1-NH2 3.58Å; D80-R113 PolarHBondContact OD1-NH2 2.87Å; D80-V114 HydrophobicContact CB-CG2 3.98Å; D80-V114 WeakPolarHBondContact O-CG1 3.35Å; D80-V114 VanDerWaalsContact OD1-CG2 3.29Å; D80-V114 WeakPolarHBondContact OD1-CG2 3.38Å
81	N	90	Very high	83.9	Confident	94 Å²	94	57.8 Å²	57.8	50%	0.503	29%	0.293	S	S	.	.	H	α-helix	trans	-68.9	-43.2	175.9	-71.5	-23.9	0	0	0	112.1	A77 I78 R79 F83 R84 S85	A77-N81 PolarHBondContact O-N 2.79Å; A77-N81 PolarHBondContact O-ND2 2.81Å; I78-N81 WeakPolarHBondContact O-CB 3.28Å; I78-N81 PolarHBondContact O-N 3.12Å; I78-N81 VanDerWaalsContact O-N 3.08Å; R79-N81 VanDerWaalsContact C-N 3.25Å; R79-N81 PolarHBondContact O-N 3Å; N81-F83 VanDerWaalsContact C-N 3.33Å; N81-F83 PolarHBondContact O-N 3.12Å; N81-R84 PolarHBondContact O-N 2.8Å; N81-R84 PolarHBondContact OD1-NH1 2.67Å; N81-S85 WeakPolarHBondContact O-CB 3.24Å; N81-S85 PolarHBondContact O-N 2.96Å; N81-S85 PolarHBondContact O-OG 2.68Å
82	Y	91.3	Very high	85.5	Confident	55 Å²	55	56.9 Å²	56.9	22%	0.216	28%	0.284	C	S	.	.	H	α-helix	trans	-57.1	-50	173	-61.9	-27.6	0	0	0	110.6	A48 L67 T69 D74 I78 R79 R84 S85 G86	A48-Y82 HydrophobicContact CB-CE2 4.23Å; L67-Y82 HydrophobicContact CD2-CD1 3.4Å; L67-Y82 VanDerWaalsContact CD2-CD1 3.4Å; L67-Y82 HydrophobicContact CD2-CD2 4.18Å; L67-Y82 HydrophobicContact CD2-CE1 4.03Å; L67-Y82 HydrophobicContact CD2-CG 3.49Å; L67-Y82 VanDerWaalsContact CD2-CG 3.49Å; T69-Y82 HydrophobicContact CG2-CD2 4.05Å; D74-Y82 WeakPolarHBondContact OD2-CE2 3.41Å; I78-Y82 HydrophobicContact CG2-CD2 4.21Å; I78-Y82 HydrophobicContact CG2-CE1 4.07Å; I78-Y82 HydrophobicContact CG2-CE2 3.48Å; I78-Y82 VanDerWaalsContact CG2-CE2 3.48Å; I78-Y82 WeakPolarHBondContact CG2-OH 3.25Å; I78-Y82 PolarHBondContact O-N 3.16Å; R79-Y82 WeakPolarHBondContact O-CB 3.02Å; R79-Y82 PolarHBondContact O-N 3.02Å; Y82-R84 PolarHBondContact O-N 2.68Å; Y82-S85 PolarHBondContact O-N 2.99Å; Y82-S85 PolarHBondContact O-OG 2.9Å; Y82-G86 PolarHBondContact O-N 2.85Å
83	F	93	Very high	87.2	Confident	3 Å²	3	50.3 Å²	50.3	1%	0.013	25%	0.254	C	S	.	.	H	α-helix	trans	-60.7	-48.4	179.6	-64.9	-13.8	0	0	0	111.7	I18 V20 R79 N81 S85 G86 F89 Q110 I111 V114 K115	I18-F83 HydrophobicContact CG2-CD1 4.44Å; V20-F83 HydrophobicContact CG1-CE1 4.02Å; V20-F83 HydrophobicContact CG1-CZ 3.92Å; V20-F83 HydrophobicContact CG2-CD1 4.43Å; V20-F83 HydrophobicContact CG2-CE1 3.66Å; V20-F83 HydrophobicContact CG2-CZ 4.37Å; R79-F83 HydrophobicContact CG-CD1 4.46Å; R79-F83 HydrophobicContact CG-CD2 3.96Å; R79-F83 HydrophobicContact CG-CE1 3.93Å; R79-F83 HydrophobicContact CG-CE2 3.36Å; R79-F83 HydrophobicContact CG-CG 4.49Å; R79-F83 HydrophobicContact CG-CZ 3.36Å; R79-F83 WeakPolarHBondContact O-CG 3.35Å; R79-F83 PolarHBondContact O-N 3.23Å; N81-F83 VanDerWaalsContact C-N 3.33Å; N81-F83 PolarHBondContact O-N 3.12Å; F83-S85 PolarHBondContact O-N 3.49Å; F83-G86 PolarHBondContact O-N 3.44Å; F83-G86 VanDerWaalsContact O-N 3.1Å; F83-F89 HydrophobicContact CB-CE1 4.12Å; F83-F89 HydrophobicContact CB-CZ 4.35Å; F83-F89 HydrophobicContact CD1-CD1 4.39Å; F83-F89 AromaticContact CD1-CE1 3.78Å; F83-F89 HydrophobicContact CD1-CE1 3.78Å; F83-F89 HydrophobicContact CG-CE1 4.18Å; F83-F89 WeakPolarHBondContact O-CZ 3.44Å; F83-Q110 HydrophobicContact CD2-CB 4.38Å; F83-Q110 HydrophobicContact CE2-CB 3.82Å; F83-I111 HydrophobicContact CD1-CG1 4.28Å; F83-I111 HydrophobicContact CD2-CG1 4.05Å; F83-I111 HydrophobicContact CE1-CG1 4.26Å; F83-I111 HydrophobicContact CE2-CG1 4.02Å; F83-I111 HydrophobicContact CG-CG1 4.17Å; F83-I111 HydrophobicContact CZ-CG1 4.12Å; F83-V114 HydrophobicContact CB-CB 4.14Å; F83-V114 HydrophobicContact CB-CG1 3.86Å; F83-V114 HydrophobicContact CB-CG2 4.39Å; F83-V114 HydrophobicContact CD2-CG2 4.37Å; F83-K115 WeakPolarHBondContact O-CE 3.29Å
84	R	94	Very high	89.1	Confident	130 Å²	130	41.7 Å²	41.7	49%	0.491	21%	0.213	S	C	.	.	H	α-helix	trans	-56.9	-38.6	178.5	-168	174.6	-61.5	99.7	5.4	112.6	D80 N81 Y82 V114 K115	D80-R84 VanDerWaalsContact O-CB 3.28Å; D80-R84 WeakPolarHBondContact O-CB 3.29Å; D80-R84 PolarHBondContact O-N 3.36Å; N81-R84 PolarHBondContact O-N 2.8Å; N81-R84 PolarHBondContact OD1-NH1 2.67Å; Y82-R84 PolarHBondContact O-N 2.68Å; R84-V114 HydrophobicContact CB-CG1 3.81Å; R84-K115 PolarHBondContact O-NZ 3.03Å
85	S	93	Very high	90.8	Very high	58 Å²	58	40.1 Å²	40.1	41%	0.406	21%	0.205	S	C	.	.	H	α-helix	trans	-76.1	-23	-179.5	77	0	0	0	0	114.7	K16 N81 Y82 F83	K16-S85 VanDerWaalsContact CD-O 3.29Å; K16-S85 WeakPolarHBondContact CD-O 3.47Å; N81-S85 WeakPolarHBondContact O-CB 3.24Å; N81-S85 PolarHBondContact O-N 2.96Å; N81-S85 PolarHBondContact O-OG 2.68Å; Y82-S85 PolarHBondContact O-N 2.99Å; Y82-S85 PolarHBondContact O-OG 2.9Å; F83-S85 PolarHBondContact O-N 3.49Å
86	G	95.5	Very high	92.3	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.01	18%	0.176	C	C	.	.			trans	-71	143.9	179.3	0	0	0	0	0	113.2	I18 Y82 F83 K115	I18-G86 VanDerWaalsContact CG1-CA 3.47Å; Y82-G86 PolarHBondContact O-N 2.85Å; F83-G86 PolarHBondContact O-N 3.44Å; F83-G86 VanDerWaalsContact O-N 3.1Å; G86-K115 WeakPolarHBondContact O-CE 3.33Å; G86-K115 PolarHBondContact O-NZ 3.25Å
87	E	97.4	Very high	93.6	Very high	48 Å²	48	32.9 Å²	32.9	22%	0.224	17%	0.17	C	C	.	.	S	Bend	trans	-102.2	-24.7	174.3	-65.1	175.2	148.3	0	0	112	H15 K16 P122 I176 K180	H15-E87 WeakPolarHBondContact CA-OE2 3.4Å; K16-E87 HydrophobicContact CB-CB 4.32Å; K16-E87 HydrophobicContact CB-CG 4.03Å; K16-E87 PolarHBondContact N-OE2 3.45Å; K16-E87 WeakPolarHBondContact O-CA 3.44Å; K16-E87 PolarHBondContact O-N 2.91Å; E87-P122 WeakPolarHBondContact O-CD 3.28Å; E87-P122 WeakPolarHBondContact O-CG 3.33Å; E87-I176 HydrophobicContact CB-CD1 4.26Å; E87-I176 HydrophobicContact CB-CG1 4.36Å; E87-I176 HydrophobicContact CB-CG2 3.85Å; E87-K180 WeakPolarHBondContact OE1-CE 3.48Å; E87-K180 IonicContact OE1-NZ 2.73Å; E87-K180 PolarHBondContact OE1-NZ 3.49Å; E87-K180 VanDerWaalsContact OE2-CE 3.23Å; E87-K180 WeakPolarHBondContact OE2-CE 3.29Å; E87-K180 IonicContact OE2-NZ 3.44Å; E87-K180 PolarHBondContact OE2-NZ 2.52Å
88	G	98.2	Very high	94.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	163.1	169.6	0	0	0	0	0	112.4	K16 V17 I18 P122	K16-G88 PolarHBondContact O-N 3.33Å; K16-G88 VanDerWaalsContact O-N 3.1Å; V17-G88 WeakPolarHBondContact CA-O 3.46Å; I18-G88 PolarHBondContact N-O 3.15Å; G88-P122 CarbonylContact C-O 3.53Å; G88-P122 WeakPolarHBondContact CA-O 3.48Å
89	F	98.4	Very high	95.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.9	-169	-58.9	-89.8	0	0	0	111.2	I18 V20 F83 I111 K115 I121 P122 L123 L124	I18-F89 HydrophobicContact CB-CD1 3.85Å; I18-F89 HydrophobicContact CB-CE1 4.07Å; I18-F89 HydrophobicContact CG1-CD1 4.21Å; I18-F89 HydrophobicContact CG1-CE1 3.97Å; I18-F89 WeakPolarHBondContact O-CA 3.32Å; V20-F89 HydrophobicContact CG2-CD1 3.94Å; F83-F89 HydrophobicContact CB-CE1 4.12Å; F83-F89 HydrophobicContact CB-CZ 4.35Å; F83-F89 HydrophobicContact CD1-CD1 4.39Å; F83-F89 AromaticContact CD1-CE1 3.78Å; F83-F89 HydrophobicContact CD1-CE1 3.78Å; F83-F89 HydrophobicContact CG-CE1 4.18Å; F83-F89 WeakPolarHBondContact O-CZ 3.44Å; F89-I111 HydrophobicContact CB-CD1 4.08Å; F89-I111 HydrophobicContact CD1-CD1 3.74Å; F89-I111 HydrophobicContact CD1-CG1 3.97Å; F89-I111 HydrophobicContact CD1-CG2 4.32Å; F89-I111 HydrophobicContact CD2-CG2 3.79Å; F89-I111 HydrophobicContact CE1-CD1 4.34Å; F89-I111 HydrophobicContact CE1-CG1 4.04Å; F89-I111 HydrophobicContact CE1-CG2 4.16Å; F89-I111 HydrophobicContact CE2-CG2 3.64Å; F89-I111 HydrophobicContact CG-CD1 3.89Å; F89-I111 HydrophobicContact CG-CG1 4.38Å; F89-I111 HydrophobicContact CG-CG2 4.14Å; F89-I111 HydrophobicContact CZ-CG2 3.83Å; F89-K115 HydrophobicContact CE2-CG 4.3Å; F89-K115 HydrophobicContact CZ-CG 4.29Å; F89-I121 HydrophobicContact CD2-CG2 3.7Å; F89-I121 HydrophobicContact CE2-CG2 3.72Å; F89-P122 PolarHBondContact N-O 2.78Å; F89-L123 HydrophobicContact CB-CD1 3.6Å; F89-L123 WeakPolarHBondContact O-CA 3.48Å; F89-L124 PolarHBondContact O-N 2.8Å
90	L	98.6	Very high	96.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	111	163.3	-68.2	-175.6	0	0	0	108.1	V17 I18 M19 V20 V92 L124 V126 V168 F169 L172	V17-L90 HydrophobicContact CG1-CD1 4.43Å; V17-L90 HydrophobicContact CG1-CG 4.21Å; I18-L90 PolarHBondContact O-N 3.47Å; M19-L90 HydrophobicContact CE-CB 4.33Å; M19-L90 HydrophobicContact CE-CD1 4.07Å; M19-L90 HydrophobicContact SD-CB 3.99Å; M19-L90 HydrophobicContact SD-CD1 3.78Å; M19-L90 HydrophobicContact SD-CG 4.3Å; V20-L90 PolarHBondContact N-O 3.26Å; L90-V92 HydrophobicContact CB-CG2 4.19Å; L90-V92 PolarHBondContact O-N 3.29Å; L90-L124 HydrophobicContact CD2-CB 3.65Å; L90-L124 HydrophobicContact CD2-CD2 4.02Å; L90-L124 HydrophobicContact CD2-CG 4.49Å; L90-V126 HydrophobicContact CB-CG2 4.45Å; L90-V126 HydrophobicContact CD2-CG2 4.02Å; L90-V168 HydrophobicContact CD1-CB 4.39Å; L90-V168 HydrophobicContact CD1-CG2 4.09Å; L90-V168 HydrophobicContact CD2-CB 4.19Å; L90-F169 HydrophobicContact CD1-CD1 3.8Å; L90-F169 HydrophobicContact CD1-CE1 3.63Å; L90-F169 HydrophobicContact CD1-CE2 4.43Å; L90-F169 HydrophobicContact CD1-CG 4.29Å; L90-F169 HydrophobicContact CD1-CZ 3.97Å; L90-L172 HydrophobicContact CD2-CB 4.06Å; L90-L172 HydrophobicContact CD2-CD2 3.68Å; L90-L172 HydrophobicContact CD2-CG 4.39Å; L90-L172 HydrophobicContact CG-CD2 3.67Å
91	L	97.9	Very high	96.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	94	178.5	-176.2	57.8	0	0	0	109	V20 T104 F107 R108 L123 L124 V125 V126 W150	V20-L91 HydrophobicContact CB-CD1 4.24Å; V20-L91 HydrophobicContact CG1-CD1 4.1Å; V20-L91 CarbonylContact O-C 3.59Å; V20-L91 WeakPolarHBondContact O-CA 3.35Å; L91-T104 HydrophobicContact CD1-CG2 4.26Å; L91-T104 HydrophobicContact CG-CG2 4.04Å; L91-F107 HydrophobicContact CD1-CB 3.61Å; L91-F107 HydrophobicContact CD1-CD2 4.36Å; L91-F107 HydrophobicContact CD1-CG 4.28Å; L91-R108 HydrophobicContact CD2-CB 4.15Å; L91-L123 HydrophobicContact CB-CD1 3.86Å; L91-L123 HydrophobicContact CD2-CD1 4.39Å; L91-L124 PolarHBondContact N-O 2.93Å; L91-V125 HydrophobicContact CD2-CG2 4.46Å; L91-V126 PolarHBondContact O-N 3.02Å; L91-W150 HydrophobicContact CD2-CZ3 4.05Å
92	V	98.4	Very high	96.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	131.9	-169.9	-168.5	0	0	0	0	110.6	M19 V20 G21 V25 K27 L30 L90 V126 N128	M19-V92 HydrophobicContact CE-CG2 3.97Å; V20-V92 PolarHBondContact O-N 2.8Å; G21-V92 WeakPolarHBondContact CA-O 3.46Å; V25-V92 HydrophobicContact CB-CG1 4.39Å; V25-V92 HydrophobicContact CG2-CB 4.07Å; V25-V92 HydrophobicContact CG2-CG1 3.93Å; K27-V92 HydrophobicContact CG-CB 4.27Å; K27-V92 HydrophobicContact CG-CG2 4.38Å; L30-V92 HydrophobicContact CD1-CG1 3.83Å; L30-V92 HydrophobicContact CD1-CG2 4.19Å; L90-V92 HydrophobicContact CB-CG2 4.19Å; L90-V92 PolarHBondContact O-N 3.29Å; V92-V126 WeakPolarHBondContact CA-O 3.21Å; V92-V126 HydrophobicContact CG1-CG1 4.48Å; V92-V126 HydrophobicContact CG2-CB 4.24Å; V92-N128 HydrophobicContact CG1-CB 3.91Å
93	F	98.5	Very high	97.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	169.8	166.5	71.8	-85.4	0	0	0	110.1	I95 F101 T104 V125 V126 N128 V138 A143 Y154	F93-I95 HydrophobicContact CE2-CG2 4.12Å; F93-F101 HydrophobicContact CB-CB 4.43Å; F93-F101 AromaticContact CD1-CD2 3.97Å; F93-F101 HydrophobicContact CD1-CD2 3.97Å; F93-F101 HydrophobicContact CD2-CB 3.7Å; F93-F101 AromaticContact CD2-CD2 3.99Å; F93-F101 HydrophobicContact CD2-CD2 3.99Å; F93-F101 HydrophobicContact CD2-CG 4.29Å; F93-F101 AromaticContact CE1-CD2 3.81Å; F93-F101 HydrophobicContact CE1-CD2 3.81Å; F93-F101 HydrophobicContact CE1-CE2 4.3Å; F93-F101 HydrophobicContact CE2-CB 4.12Å; F93-F101 AromaticContact CE2-CD2 3.84Å; F93-F101 HydrophobicContact CE2-CD2 3.84Å; F93-F101 HydrophobicContact CE2-CG 4.3Å; F93-F101 HydrophobicContact CG-CB 4.09Å; F93-F101 HydrophobicContact CG-CD2 4.05Å; F93-F101 AromaticContact CZ-CD2 3.75Å; F93-F101 HydrophobicContact CZ-CD2 3.75Å; F93-F101 HydrophobicContact CZ-CE2 4.29Å; F93-T104 HydrophobicContact CB-CG2 3.84Å; F93-T104 HydrophobicContact CD1-CG2 4.2Å; F93-T104 HydrophobicContact CG-CG2 4.35Å; F93-V125 HydrophobicContact CD1-CG1 4.19Å; F93-V125 HydrophobicContact CE1-CG1 3.79Å; F93-V126 VanDerWaalsContact CD1-O 3.29Å; F93-V126 WeakPolarHBondContact CD1-O 3.41Å; F93-V126 PolarHBondContact N-O 3.23Å; F93-N128 WeakPolarHBondContact O-CB 3.42Å; F93-N128 PolarHBondContact O-N 3.38Å; F93-V138 HydrophobicContact CD2-CG2 4.4Å; F93-V138 HydrophobicContact CE2-CB 4.04Å; F93-V138 HydrophobicContact CE2-CG1 3.87Å; F93-V138 HydrophobicContact CE2-CG2 4.12Å; F93-V138 HydrophobicContact CZ-CG1 4.33Å; F93-A143 HydrophobicContact CE1-CB 4.42Å; F93-A143 HydrophobicContact CZ-CB 3.79Å; F93-Y154 HydrophobicContact CE1-CD2 4.48Å; F93-Y154 AromaticContact CE1-CE2 3.82Å; F93-Y154 HydrophobicContact CE1-CE2 3.82Å; F93-Y154 AromaticContact CZ-CE2 3.78Å; F93-Y154 HydrophobicContact CZ-CE2 3.78Å
94	S	98.4	Very high	97.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.4	175.1	179.7	0	0	0	0	109.4	T96 E97 S100 K129	S94-T96 PolarHBondContact O-N 2.94Å; S94-T96 PolarHBondContact OG-OG1 2.82Å; S94-E97 PolarHBondContact O-N 2.78Å; S94-E97 VanDerWaalsContact O-N 3.09Å; S94-S100 PolarHBondContact N-OG 3.39Å; S94-S100 PolarHBondContact O-OG 3.37Å; S94-K129 VanDerWaalsContact OG-CD 3.26Å; S94-K129 WeakPolarHBondContact OG-CD 3.4Å; S94-K129 VanDerWaalsContact OG-CE 3.32Å; S94-K129 WeakPolarHBondContact OG-CE 3.27Å; S94-K129 PolarHBondContact OG-NZ 3.33Å
95	I	98.8	Very high	97.4	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18	177.5	66.2	159.4	0	0	0	112.7	F93 N128 K129 R136 Q137 V138	F93-I95 HydrophobicContact CE2-CG2 4.12Å; I95-N128 PolarHBondContact N-O 3.18Å; I95-K129 WeakPolarHBondContact CD1-O 3.08Å; I95-K129 WeakPolarHBondContact CG1-O 3.2Å; I95-R136 HydrophobicContact CD1-CB 4.39Å; I95-R136 HydrophobicContact CD1-CG 4.5Å; I95-Q137 PolarHBondContact O-N 3.41Å; I95-V138 PolarHBondContact O-N 2.85Å
96	T	98.5	Very high	97.5	Very high	25 Å²	25	28.8 Å²	28.8	15%	0.153	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	6.3	179.9	73.8	0	0	0	0	114	S94 K129 L132 R135 Q137	S94-T96 PolarHBondContact O-N 2.94Å; S94-T96 PolarHBondContact OG-OG1 2.82Å; T96-K129 HydrophobicContact CG2-CB 4.48Å; T96-L132 HydrophobicContact CG2-CB 3.65Å; T96-L132 HydrophobicContact CG2-CD1 4Å; T96-L132 HydrophobicContact CG2-CG 4.47Å; T96-R135 WeakPolarHBondContact CA-O 3.34Å; T96-R135 WeakPolarHBondContact CB-O 3.42Å; T96-R135 HydrophobicContact CG2-CB 3.89Å; T96-Q137 PolarHBondContact O-NE2 2.97Å; T96-Q137 PolarHBondContact O-OE1 3.03Å
97	E	97.6	Very high	97.4	Very high	68 Å²	68	30 Å²	30	32%	0.318	16%	0.157	S	C	.	.			trans	-144.3	98.7	-175.8	-174.3	-178.9	178.6	0	0	109.4	S94 E99 S100	S94-E97 PolarHBondContact O-N 2.78Å; S94-E97 VanDerWaalsContact O-N 3.09Å; E97-E99 VanDerWaalsContact C-N 3.29Å; E97-E99 PolarHBondContact O-N 3.04Å; E97-S100 WeakPolarHBondContact O-CB 3.45Å; E97-S100 PolarHBondContact O-N 2.91Å; E97-S100 VanDerWaalsContact O-N 3.12Å; E97-S100 PolarHBondContact O-OG 3.17Å
98	H	98.2	Very high	97.3	Very high	60 Å²	60	30.2 Å²	30.2	28%	0.278	16%	0.156	S	C	.	.	H	α-helix	trans	-62.8	-34.9	-174.7	-169.6	-77.9	0	0	0	112.6	S100 F101 T102 Q137 V138 E142	H98-S100 PolarHBondContact O-N 2.89Å; H98-F101 WeakPolarHBondContact O-CB 3.39Å; H98-F101 PolarHBondContact O-N 3.36Å; H98-T102 PolarHBondContact CE1-OG1 3.37Å; H98-T102 PolarHBondContact ND1-OG1 2.92Å; H98-T102 PolarHBondContact O-N 3.22Å; H98-T102 PolarHBondContact O-OG1 3.02Å; H98-Q137 HydrophobicContact CB-CB 4.3Å; H98-Q137 VanDerWaalsContact N-OE1 3.12Å; H98-V138 HydrophobicContact CB-CG2 4.41Å; H98-E142 IonicContact CE1-OE1 2.77Å; H98-E142 IonicContact NE2-OE1 3.2Å; H98-E142 PolarHBondContact NE2-OE1 2.73Å; H98-E142 IonicContact NE2-OE2 2.81Å
99	E	97.2	Very high	97.2	Very high	128 Å²	128	36.4 Å²	36.4	60%	0.598	19%	0.185	S	C	*	.	H	α-helix	trans	-58.8	-38.1	175.9	-65.2	77.3	-170.8	0	0	111.5	E97 F101 T102 A103	E97-E99 VanDerWaalsContact C-N 3.29Å; E97-E99 PolarHBondContact O-N 3.04Å; E99-F101 VanDerWaalsContact C-N 3.3Å; E99-F101 PolarHBondContact O-N 3.37Å; E99-T102 PolarHBondContact O-N 3.04Å; E99-A103 WeakPolarHBondContact O-CB 3.31Å; E99-A103 PolarHBondContact O-N 3.43Å
100	S	97	Very high	96.9	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.007	19%	0.189	C	C	.	.	H	α-helix	trans	-66.1	-33.4	177.4	80.3	0	0	0	0	112.5	S94 E97 H98 T104	S94-S100 PolarHBondContact N-OG 3.39Å; S94-S100 PolarHBondContact O-OG 3.37Å; E97-S100 WeakPolarHBondContact O-CB 3.45Å; E97-S100 PolarHBondContact O-N 2.91Å; E97-S100 VanDerWaalsContact O-N 3.12Å; E97-S100 PolarHBondContact O-OG 3.17Å; H98-S100 PolarHBondContact O-N 2.89Å; S100-T104 WeakPolarHBondContact O-CG2 3.3Å
101	F	98.5	Very high	96.8	Very high	12 Å²	12	37.3 Å²	37.3	5%	0.053	19%	0.189	C	C	.	.	H	α-helix	trans	-71.6	-45.4	173.6	174.1	-109.8	0	0	0	111.1	F93 H98 E99 A103 T104 V138 E142 A143 K146	F93-F101 HydrophobicContact CB-CB 4.43Å; F93-F101 AromaticContact CD1-CD2 3.97Å; F93-F101 HydrophobicContact CD1-CD2 3.97Å; F93-F101 HydrophobicContact CD2-CB 3.7Å; F93-F101 AromaticContact CD2-CD2 3.99Å; F93-F101 HydrophobicContact CD2-CD2 3.99Å; F93-F101 HydrophobicContact CD2-CG 4.29Å; F93-F101 AromaticContact CE1-CD2 3.81Å; F93-F101 HydrophobicContact CE1-CD2 3.81Å; F93-F101 HydrophobicContact CE1-CE2 4.3Å; F93-F101 HydrophobicContact CE2-CB 4.12Å; F93-F101 AromaticContact CE2-CD2 3.84Å; F93-F101 HydrophobicContact CE2-CD2 3.84Å; F93-F101 HydrophobicContact CE2-CG 4.3Å; F93-F101 HydrophobicContact CG-CB 4.09Å; F93-F101 HydrophobicContact CG-CD2 4.05Å; F93-F101 AromaticContact CZ-CD2 3.75Å; F93-F101 HydrophobicContact CZ-CD2 3.75Å; F93-F101 HydrophobicContact CZ-CE2 4.29Å; H98-F101 WeakPolarHBondContact O-CB 3.39Å; H98-F101 PolarHBondContact O-N 3.36Å; E99-F101 VanDerWaalsContact C-N 3.3Å; E99-F101 PolarHBondContact O-N 3.37Å; F101-A103 VanDerWaalsContact C-N 3.28Å; F101-A103 PolarHBondContact O-N 2.9Å; F101-T104 VanDerWaalsContact O-CB 3.3Å; F101-T104 WeakPolarHBondContact O-CB 3.38Å; F101-T104 WeakPolarHBondContact O-CG2 3.29Å; F101-T104 PolarHBondContact O-N 3.03Å; F101-T104 PolarHBondContact O-OG1 2.95Å; F101-V138 HydrophobicContact CB-CG1 4.23Å; F101-V138 HydrophobicContact CB-CG2 3.68Å; F101-V138 HydrophobicContact CD1-CG1 3.96Å; F101-V138 HydrophobicContact CD2-CG1 4.11Å; F101-V138 HydrophobicContact CE1-CG1 4.35Å; F101-V138 HydrophobicContact CE2-CG1 4.48Å; F101-V138 HydrophobicContact CG-CG1 3.83Å; F101-V138 HydrophobicContact CG-CG2 4.19Å; F101-E142 HydrophobicContact CE1-CG 3.8Å; F101-E142 WeakPolarHBondContact CE1-OE1 3.49Å; F101-E142 HydrophobicContact CZ-CG 4.23Å; F101-A143 HydrophobicContact CE2-CB 3.86Å; F101-A143 HydrophobicContact CZ-CB 4.31Å; F101-K146 HydrophobicContact CE2-CB 4.42Å; F101-K146 HydrophobicContact CZ-CB 3.84Å; F101-K146 HydrophobicContact CZ-CG 4.14Å
102	T	97.4	Very high	96.6	Very high	84 Å²	84	40.4 Å²	40.4	52%	0.515	21%	0.206	S	C	.	.	H	α-helix	trans	-58.5	-40.8	177.5	-60.5	0	0	0	0	111.7	H98 E99 T104 A105	H98-T102 PolarHBondContact CE1-OG1 3.37Å; H98-T102 PolarHBondContact ND1-OG1 2.92Å; H98-T102 PolarHBondContact O-N 3.22Å; H98-T102 PolarHBondContact O-OG1 3.02Å; E99-T102 PolarHBondContact O-N 3.04Å; T102-T104 PolarHBondContact O-N 2.73Å; T102-A105 PolarHBondContact O-N 3.43Å
103	A	95.6	Very high	96.5	Very high	25 Å²	25	47.3 Å²	47.3	21%	0.207	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.1	177.5	0	0	0	0	0	114	S22 E99 F101 A105 E106 F107	S22-A103 WeakPolarHBondContact OG-CB 3.19Å; E99-A103 WeakPolarHBondContact O-CB 3.31Å; E99-A103 PolarHBondContact O-N 3.43Å; F101-A103 VanDerWaalsContact C-N 3.28Å; F101-A103 PolarHBondContact O-N 2.9Å; A103-A105 PolarHBondContact O-N 3.24Å; A103-E106 PolarHBondContact O-N 3.22Å; A103-F107 HydrophobicContact CB-CD2 4.47Å; A103-F107 HydrophobicContact CB-CE2 4.17Å; A103-F107 WeakPolarHBondContact O-CD2 3.39Å; A103-F107 PolarHBondContact O-N 3.1Å
104	T	96.5	Very high	96.3	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.012	24%	0.238	C	C	.	.	H	α-helix	trans	-60	-31.1	179.5	64.5	0	0	0	0	112.7	L91 F93 S100 F101 T102 F107 R108 W150	L91-T104 HydrophobicContact CD1-CG2 4.26Å; L91-T104 HydrophobicContact CG-CG2 4.04Å; F93-T104 HydrophobicContact CB-CG2 3.84Å; F93-T104 HydrophobicContact CD1-CG2 4.2Å; F93-T104 HydrophobicContact CG-CG2 4.35Å; S100-T104 WeakPolarHBondContact O-CG2 3.3Å; F101-T104 VanDerWaalsContact O-CB 3.3Å; F101-T104 WeakPolarHBondContact O-CB 3.38Å; F101-T104 WeakPolarHBondContact O-CG2 3.29Å; F101-T104 PolarHBondContact O-N 3.03Å; F101-T104 PolarHBondContact O-OG1 2.95Å; T102-T104 PolarHBondContact O-N 2.73Å; T104-F107 PolarHBondContact O-N 2.83Å; T104-R108 WeakPolarHBondContact O-CB 3.2Å; T104-R108 PolarHBondContact O-N 3.1Å; T104-W150 WeakPolarHBondContact OG1-CH2 3.4Å
105	A	96.8	Very high	96.1	Very high	34 Å²	34	49 Å²	49	28%	0.281	24%	0.241	S	C	.	.	H	α-helix	trans	-62.2	-45.3	177.2	0	0	0	0	0	111.8	T102 A103 R108 E109 W150	T102-A105 PolarHBondContact O-N 3.43Å; A103-A105 PolarHBondContact O-N 3.24Å; A105-R108 PolarHBondContact O-N 3.08Å; A105-E109 WeakPolarHBondContact O-CG 3.4Å; A105-E109 PolarHBondContact O-N 2.93Å; A105-W150 HydrophobicContact CB-CH2 4.31Å; A105-W150 HydrophobicContact CB-CZ2 3.94Å
106	E	93.9	Very high	95.9	Very high	116 Å²	116	52.9 Å²	52.9	54%	0.542	27%	0.273	S	S	.	.	H	α-helix	trans	-64.2	-45.8	178.7	-168.5	-167.2	155.1	0	0	111.2	A103 R108 E109 Q110	A103-E106 PolarHBondContact O-N 3.22Å; E106-R108 VanDerWaalsContact C-N 3.3Å; E106-R108 PolarHBondContact O-N 2.89Å; E106-E109 PolarHBondContact O-N 2.66Å; E106-Q110 WeakPolarHBondContact O-CG 3.28Å; E106-Q110 PolarHBondContact O-N 2.85Å; E106-Q110 PolarHBondContact OE1-NE2 3Å
107	F	94.2	Very high	95.5	Very high	27 Å²	27	61.2 Å²	61.2	12%	0.118	31%	0.31	C	S	.	.	H	α-helix	trans	-58.6	-43	175.9	-74.6	-61.4	0	0	0	111.9	V20 L91 A103 T104 Q110 I111	V20-F107 HydrophobicContact CG1-CB 3.72Å; V20-F107 HydrophobicContact CG1-CD1 3.49Å; V20-F107 VanDerWaalsContact CG1-CD1 3.49Å; V20-F107 HydrophobicContact CG1-CD2 4.5Å; V20-F107 HydrophobicContact CG1-CE1 4.23Å; V20-F107 HydrophobicContact CG1-CG 3.66Å; L91-F107 HydrophobicContact CD1-CB 3.61Å; L91-F107 HydrophobicContact CD1-CD2 4.36Å; L91-F107 HydrophobicContact CD1-CG 4.28Å; A103-F107 HydrophobicContact CB-CD2 4.47Å; A103-F107 HydrophobicContact CB-CE2 4.17Å; A103-F107 WeakPolarHBondContact O-CD2 3.39Å; A103-F107 PolarHBondContact O-N 3.1Å; T104-F107 PolarHBondContact O-N 2.83Å; F107-Q110 PolarHBondContact O-N 2.83Å; F107-I111 VanDerWaalsContact O-CG1 3.31Å; F107-I111 WeakPolarHBondContact O-CG1 3.49Å; F107-I111 PolarHBondContact O-N 2.96Å
108	R	95.6	Very high	95.2	Very high	52 Å²	52	60.5 Å²	60.5	20%	0.196	31%	0.307	C	S	.	.	H	α-helix	trans	-60.5	-48.5	176.1	179.1	179.6	177.4	-88.5	5.2	111.2	L91 T104 A105 E106 Q110 I111 L112 L123 W150	L91-R108 HydrophobicContact CD2-CB 4.15Å; T104-R108 WeakPolarHBondContact O-CB 3.2Å; T104-R108 PolarHBondContact O-N 3.1Å; A105-R108 PolarHBondContact O-N 3.08Å; E106-R108 VanDerWaalsContact C-N 3.3Å; E106-R108 PolarHBondContact O-N 2.89Å; R108-Q110 VanDerWaalsContact C-N 3.29Å; R108-Q110 PolarHBondContact O-N 3.06Å; R108-I111 PolarHBondContact O-N 3.21Å; R108-I111 VanDerWaalsContact O-N 3.17Å; R108-L112 HydrophobicContact CG-CD1 4.31Å; R108-L112 HydrophobicContact CG-CG 4.33Å; R108-L112 WeakPolarHBondContact O-CG 3.3Å; R108-L112 PolarHBondContact O-N 3.03Å; R108-L123 HydrophobicContact CG-CD2 4.11Å; R108-W150 VanDerWaalsContact CD-CE2 3.43Å; R108-W150 VanDerWaalsContact CZ-CD1 3.41Å
109	E	94.8	Very high	94.6	Very high	131 Å²	131	66 Å²	66	61%	0.612	34%	0.338	S	S	*	.	H	α-helix	trans	-58.6	-41.1	178.6	-74.1	-179.3	178.4	0	0	112.1	A105 E106 L112 R113	A105-E109 WeakPolarHBondContact O-CG 3.4Å; A105-E109 PolarHBondContact O-N 2.93Å; E106-E109 PolarHBondContact O-N 2.66Å; E109-L112 PolarHBondContact O-N 2.99Å; E109-R113 WeakPolarHBondContact O-CB 3.44Å; E109-R113 PolarHBondContact O-N 2.82Å
110	Q	93	Very high	94.3	Very high	17 Å²	17	65 Å²	65	8%	0.079	33%	0.332	C	S	.	.	H	α-helix	trans	-63.4	-43.7	175.5	-66.8	178.5	22	0	0	112	F83 E106 F107 R108 R113 V114	F83-Q110 HydrophobicContact CD2-CB 4.38Å; F83-Q110 HydrophobicContact CE2-CB 3.82Å; E106-Q110 WeakPolarHBondContact O-CG 3.28Å; E106-Q110 PolarHBondContact O-N 2.85Å; E106-Q110 PolarHBondContact OE1-NE2 3Å; F107-Q110 PolarHBondContact O-N 2.83Å; R108-Q110 VanDerWaalsContact C-N 3.29Å; R108-Q110 PolarHBondContact O-N 3.06Å; Q110-R113 PolarHBondContact O-N 3.27Å; Q110-V114 WeakPolarHBondContact O-CG2 3.46Å; Q110-V114 PolarHBondContact O-N 3.42Å
111	I	95.2	Very high	94.2	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-59.1	-50.3	175.2	-68.3	162.6	0	0	0	110.1	V20 F83 F89 F107 R108 R113 V114 K115 I121 L123	V20-I111 HydrophobicContact CG1-CD1 4.38Å; V20-I111 HydrophobicContact CG2-CD1 4.25Å; F83-I111 HydrophobicContact CD1-CG1 4.28Å; F83-I111 HydrophobicContact CD2-CG1 4.05Å; F83-I111 HydrophobicContact CE1-CG1 4.26Å; F83-I111 HydrophobicContact CE2-CG1 4.02Å; F83-I111 HydrophobicContact CG-CG1 4.17Å; F83-I111 HydrophobicContact CZ-CG1 4.12Å; F89-I111 HydrophobicContact CB-CD1 4.08Å; F89-I111 HydrophobicContact CD1-CD1 3.74Å; F89-I111 HydrophobicContact CD1-CG1 3.97Å; F89-I111 HydrophobicContact CD1-CG2 4.32Å; F89-I111 HydrophobicContact CD2-CG2 3.79Å; F89-I111 HydrophobicContact CE1-CD1 4.34Å; F89-I111 HydrophobicContact CE1-CG1 4.04Å; F89-I111 HydrophobicContact CE1-CG2 4.16Å; F89-I111 HydrophobicContact CE2-CG2 3.64Å; F89-I111 HydrophobicContact CG-CD1 3.89Å; F89-I111 HydrophobicContact CG-CG1 4.38Å; F89-I111 HydrophobicContact CG-CG2 4.14Å; F89-I111 HydrophobicContact CZ-CG2 3.83Å; F107-I111 VanDerWaalsContact O-CG1 3.31Å; F107-I111 WeakPolarHBondContact O-CG1 3.49Å; F107-I111 PolarHBondContact O-N 2.96Å; R108-I111 PolarHBondContact O-N 3.21Å; R108-I111 VanDerWaalsContact O-N 3.17Å; I111-R113 VanDerWaalsContact C-N 3.31Å; I111-R113 PolarHBondContact O-N 3.28Å; I111-V114 PolarHBondContact O-N 3.22Å; I111-K115 HydrophobicContact CG2-CG 4.34Å; I111-K115 VanDerWaalsContact O-CB 3.27Å; I111-K115 WeakPolarHBondContact O-CB 3.42Å; I111-K115 WeakPolarHBondContact O-CG 3.38Å; I111-K115 PolarHBondContact O-N 3.23Å; I111-I121 HydrophobicContact CG2-CG2 3.91Å; I111-L123 HydrophobicContact CD1-CD1 4.33Å
112	L	95.6	Very high	94.2	Very high	65 Å²	65	65.7 Å²	65.7	34%	0.34	34%	0.336	S	S	.	.	H	α-helix	trans	-59.1	-41.9	179.8	-67.1	-175.5	0	0	0	111.8	R108 E109 K115 A116 I121	R108-L112 HydrophobicContact CG-CD1 4.31Å; R108-L112 HydrophobicContact CG-CG 4.33Å; R108-L112 WeakPolarHBondContact O-CG 3.3Å; R108-L112 PolarHBondContact O-N 3.03Å; E109-L112 PolarHBondContact O-N 2.99Å; L112-K115 CarbonylContact O-C 3.4Å; L112-K115 PolarHBondContact O-N 2.93Å; L112-A116 WeakPolarHBondContact O-CA 3.37Å; L112-A116 PolarHBondContact O-N 2.79Å; L112-I121 HydrophobicContact CD2-CD1 3.49Å; L112-I121 VanDerWaalsContact CD2-CD1 3.49Å
113	R	94.9	Very high	94.3	Very high	145 Å²	145	62.3 Å²	62.3	55%	0.547	32%	0.315	S	S	.	.	H	α-helix	trans	-61.6	-45.8	177	-176.3	-175.8	69.6	-146.8	0.3	111.9	D80 E109 Q110 I111 K115	D80-R113 IonicContact OD1-NH2 3.58Å; D80-R113 PolarHBondContact OD1-NH2 2.87Å; E109-R113 WeakPolarHBondContact O-CB 3.44Å; E109-R113 PolarHBondContact O-N 2.82Å; Q110-R113 PolarHBondContact O-N 3.27Å; I111-R113 VanDerWaalsContact C-N 3.31Å; I111-R113 PolarHBondContact O-N 3.28Å; R113-K115 VanDerWaalsContact C-N 3.31Å
114	V	94.4	Very high	94.4	Very high	23 Å²	23	61.2 Å²	61.2	14%	0.139	31%	0.305	C	S	.	.	H	α-helix	trans	-71.3	-29.8	-179.2	173.7	0	0	0	0	111.8	D80 F83 R84 Q110 I111	D80-V114 HydrophobicContact CB-CG2 3.98Å; D80-V114 WeakPolarHBondContact O-CG1 3.35Å; D80-V114 VanDerWaalsContact OD1-CG2 3.29Å; D80-V114 WeakPolarHBondContact OD1-CG2 3.38Å; F83-V114 HydrophobicContact CB-CB 4.14Å; F83-V114 HydrophobicContact CB-CG1 3.86Å; F83-V114 HydrophobicContact CB-CG2 4.39Å; F83-V114 HydrophobicContact CD2-CG2 4.37Å; R84-V114 HydrophobicContact CB-CG1 3.81Å; Q110-V114 WeakPolarHBondContact O-CG2 3.46Å; Q110-V114 PolarHBondContact O-N 3.42Å; I111-V114 PolarHBondContact O-N 3.22Å
115	K	95.3	Very high	94.5	Very high	13 Å²	13	61.2 Å²	61.2	6%	0.057	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	22.2	-178.1	-64.3	-57.4	-150.7	164.1	0	113.8	F83 R84 G86 F89 I111 L112 R113 E117 E118 I121	F83-K115 WeakPolarHBondContact O-CE 3.29Å; R84-K115 PolarHBondContact O-NZ 3.03Å; G86-K115 WeakPolarHBondContact O-CE 3.33Å; G86-K115 PolarHBondContact O-NZ 3.25Å; F89-K115 HydrophobicContact CE2-CG 4.3Å; F89-K115 HydrophobicContact CZ-CG 4.29Å; I111-K115 HydrophobicContact CG2-CG 4.34Å; I111-K115 VanDerWaalsContact O-CB 3.27Å; I111-K115 WeakPolarHBondContact O-CB 3.42Å; I111-K115 WeakPolarHBondContact O-CG 3.38Å; I111-K115 PolarHBondContact O-N 3.23Å; L112-K115 CarbonylContact O-C 3.4Å; L112-K115 PolarHBondContact O-N 2.93Å; R113-K115 VanDerWaalsContact C-N 3.31Å; K115-E117 PolarHBondContact O-N 3.12Å; K115-E118 HydrophobicContact CD-CG 4.49Å; K115-E118 WeakPolarHBondContact CD-OE1 3.44Å; K115-E118 WeakPolarHBondContact CE-OE1 3.3Å; K115-E118 IonicContact NZ-OE1 3.33Å; K115-E118 PolarHBondContact NZ-OE1 2.94Å; K115-E118 IonicContact NZ-OE2 2.66Å; K115-E118 WeakPolarHBondContact O-CB 3.36Å; K115-E118 PolarHBondContact O-N 3.02Å; K115-I121 HydrophobicContact CB-CD1 3.41Å; K115-I121 VanDerWaalsContact CB-CD1 3.41Å; K115-I121 HydrophobicContact CB-CG1 3.76Å; K115-I121 HydrophobicContact CG-CD1 4.35Å; K115-I121 HydrophobicContact CG-CG1 4.42Å
116	A	93.5	Very high	94.6	Very high	82 Å²	82	59.6 Å²	59.6	68%	0.678	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-19.2	-173.7	0	0	0	0	0	115.1	L112 E118	L112-A116 WeakPolarHBondContact O-CA 3.37Å; L112-A116 PolarHBondContact O-N 2.79Å; A116-E118 VanDerWaalsContact C-N 3.34Å
117	E	91	Very high	94.8	Very high	199 Å²	199	54 Å²	54	93%	0.93	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-6.6	175.7	-61.4	-177.2	-176.8	0	0	113.7	K115	K115-E117 PolarHBondContact O-N 3.12Å
118	E	90	Very high	95.1	Very high	54 Å²	54	52.9 Å²	52.9	25%	0.252	26%	0.261	S	S	.	.			trans	-100.7	123.6	-177.2	-58.2	-178	177.7	0	0	111.3	K115 A116 K120 I121 K179	K115-E118 HydrophobicContact CD-CG 4.49Å; K115-E118 WeakPolarHBondContact CD-OE1 3.44Å; K115-E118 WeakPolarHBondContact CE-OE1 3.3Å; K115-E118 IonicContact NZ-OE1 3.33Å; K115-E118 PolarHBondContact NZ-OE1 2.94Å; K115-E118 IonicContact NZ-OE2 2.66Å; K115-E118 WeakPolarHBondContact O-CB 3.36Å; K115-E118 PolarHBondContact O-N 3.02Å; A116-E118 VanDerWaalsContact C-N 3.34Å; E118-K120 VanDerWaalsContact C-N 3.27Å; E118-K120 PolarHBondContact O-N 3.13Å; E118-I121 HydrophobicContact CB-CG1 4.18Å; E118-K179 IonicContact OE1-NZ 2.95Å; E118-K179 IonicContact OE2-NZ 3.55Å; E118-K179 PolarHBondContact OE2-NZ 3.33Å
119	D	86.3	Confident	95.2	Very high	174 Å²	174	52.9 Å²	52.9	93%	0.93	26%	0.262	S	S	*	.	S	Bend	trans	-65.1	-30.3	-179.9	-64.8	-37.1	0	0	0	113.2
120	K	90.8	Very high	95.4	Very high	107 Å²	107	48 Å²	48	47%	0.465	24%	0.242	S	C	.	.			trans	-138.3	130.1	178	-174.2	176.4	176.7	-173.4	0	109.8	E118 E175 K179	E118-K120 VanDerWaalsContact C-N 3.27Å; E118-K120 PolarHBondContact O-N 3.13Å; K120-E175 WeakPolarHBondContact CE-OE2 3.17Å; K120-E175 IonicContact NZ-OE2 2.93Å; K120-E175 PolarHBondContact NZ-OE2 3.24Å; K120-K179 WeakPolarHBondContact O-CD 3.38Å; K120-K179 WeakPolarHBondContact O-CE 3.31Å; K120-K179 PolarHBondContact O-NZ 2.95Å
121	I	96	Very high	95.6	Very high	28 Å²	28	50 Å²	50	14%	0.144	25%	0.254	C	S	.	.			trans	-112.4	112.5	177.9	-62.6	156.4	0	0	0	108.2	F89 I111 L112 K115 E118 L123	F89-I121 HydrophobicContact CD2-CG2 3.7Å; F89-I121 HydrophobicContact CE2-CG2 3.72Å; I111-I121 HydrophobicContact CG2-CG2 3.91Å; L112-I121 HydrophobicContact CD2-CD1 3.49Å; L112-I121 VanDerWaalsContact CD2-CD1 3.49Å; K115-I121 HydrophobicContact CB-CD1 3.41Å; K115-I121 VanDerWaalsContact CB-CD1 3.41Å; K115-I121 HydrophobicContact CB-CG1 3.76Å; K115-I121 HydrophobicContact CG-CD1 4.35Å; K115-I121 HydrophobicContact CG-CG1 4.42Å; E118-I121 HydrophobicContact CB-CG1 4.18Å; I121-L123 PolarHBondContact O-N 2.95Å; I121-L123 VanDerWaalsContact O-N 3.08Å
122	P	97.9	Very high	95.7	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.006	27%	0.266	C	S	.	.			trans	-59.7	111.7	174.1	-25.2	36.6	0	0	0	110	E87 G88 F89 L172 E175 I176 K179	E87-P122 WeakPolarHBondContact O-CD 3.28Å; E87-P122 WeakPolarHBondContact O-CG 3.33Å; G88-P122 CarbonylContact C-O 3.53Å; G88-P122 WeakPolarHBondContact CA-O 3.48Å; F89-P122 PolarHBondContact N-O 2.78Å; P122-L172 HydrophobicContact CB-CD1 3.87Å; P122-E175 HydrophobicContact CB-CB 3.87Å; P122-I176 HydrophobicContact CB-CG1 3.82Å; P122-I176 HydrophobicContact CG-CG1 4.02Å; P122-K179 HydrophobicContact CG-CB 4.3Å; P122-K179 HydrophobicContact CG-CD 3.76Å
123	L	98.3	Very high	95.9	Very high	13 Å²	13	54.2 Å²	54.2	7%	0.068	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	133.5	-174.6	176.5	68.9	0	0	0	108.4	F89 L91 R108 I111 I121 V152	F89-L123 HydrophobicContact CB-CD1 3.6Å; F89-L123 WeakPolarHBondContact O-CA 3.48Å; L91-L123 HydrophobicContact CB-CD1 3.86Å; L91-L123 HydrophobicContact CD2-CD1 4.39Å; R108-L123 HydrophobicContact CG-CD2 4.11Å; I111-L123 HydrophobicContact CD1-CD1 4.33Å; I121-L123 PolarHBondContact O-N 2.95Å; I121-L123 VanDerWaalsContact O-N 3.08Å; L123-V152 HydrophobicContact CB-CG1 3.99Å; L123-V152 HydrophobicContact CD2-CG1 4.03Å; L123-V152 HydrophobicContact CG-CG1 4.11Å
124	L	98.5	Very high	96	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134.5	173.7	-147.4	74.7	0	0	0	109.3	F89 L90 L91 V126 Q153 V155 V168	F89-L124 PolarHBondContact O-N 2.8Å; L90-L124 HydrophobicContact CD2-CB 3.65Å; L90-L124 HydrophobicContact CD2-CD2 4.02Å; L90-L124 HydrophobicContact CD2-CG 4.49Å; L91-L124 PolarHBondContact N-O 2.93Å; L124-V126 HydrophobicContact CD2-CG2 4.43Å; L124-Q153 HydrophobicContact CD1-CB 3.61Å; L124-Q153 HydrophobicContact CD1-CG 4.06Å; L124-V155 HydrophobicContact CD2-CG2 4.18Å; L124-V168 HydrophobicContact CD2-CB 3.82Å; L124-V168 HydrophobicContact CD2-CG1 3.85Å
125	V	98.7	Very high	96.2	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.006	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	127.5	172.7	177.7	0	0	0	0	108.4	L91 F93 A147 W150 V152 Q153 Y154 V155	L91-V125 HydrophobicContact CD2-CG2 4.46Å; F93-V125 HydrophobicContact CD1-CG1 4.19Å; F93-V125 HydrophobicContact CE1-CG1 3.79Å; V125-A147 HydrophobicContact CB-CB 4.36Å; V125-A147 HydrophobicContact CG2-CB 4.34Å; V125-W150 HydrophobicContact CG2-CE3 3.93Å; V125-W150 HydrophobicContact CG2-CZ3 3.99Å; V125-V152 HydrophobicContact CG2-CG2 3.61Å; V125-Q153 PolarHBondContact N-O 2.86Å; V125-Y154 HydrophobicContact CB-CD2 4.38Å; V125-Y154 HydrophobicContact CG1-CD2 3.96Å; V125-Y154 WeakPolarHBondContact O-CA 3.25Å; V125-V155 PolarHBondContact O-N 2.82Å
126	V	98.9	Very high	96.3	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	113.7	-173.4	-176.4	0	0	0	0	110.6	L30 L90 L91 V92 F93 L124 N128 V155 T157 V168	L30-V126 HydrophobicContact CD1-CG1 4.25Å; L90-V126 HydrophobicContact CB-CG2 4.45Å; L90-V126 HydrophobicContact CD2-CG2 4.02Å; L91-V126 PolarHBondContact O-N 3.02Å; V92-V126 WeakPolarHBondContact CA-O 3.21Å; V92-V126 HydrophobicContact CG1-CG1 4.48Å; V92-V126 HydrophobicContact CG2-CB 4.24Å; F93-V126 VanDerWaalsContact CD1-O 3.29Å; F93-V126 WeakPolarHBondContact CD1-O 3.41Å; F93-V126 PolarHBondContact N-O 3.23Å; L124-V126 HydrophobicContact CD2-CG2 4.43Å; V126-N128 PolarHBondContact O-N 2.99Å; V126-V155 VanDerWaalsContact CA-O 3.31Å; V126-V155 WeakPolarHBondContact CA-O 3.41Å; V126-T157 HydrophobicContact CG1-CG2 3.63Å; V126-T157 WeakPolarHBondContact CG1-OG1 3.34Å; V126-V168 HydrophobicContact CG1-CG1 4.3Å; V126-V168 HydrophobicContact CG2-CB 4.2Å; V126-V168 HydrophobicContact CG2-CG1 3.93Å
127	G	98.9	Very high	96.6	Very high	0 Å²	0	67 Å²	67	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	97.2	172.8	0	0	0	0	0	110.3	V155 E156 T157	G127-V155 PolarHBondContact N-O 2.81Å; G127-E156 CarbonylContact O-C 3.52Å; G127-E156 WeakPolarHBondContact O-CA 3.48Å; G127-T157 PolarHBondContact O-N 2.97Å
128	N	98.8	Very high	96.9	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.016	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	165.5	-177.5	-168.3	36.3	0	0	0	112.4	V25 L30 V92 F93 I95 V126 T157 A159	V25-N128 PolarHBondContact O-ND2 3.41Å; L30-N128 HydrophobicContact CD1-CB 4.3Å; V92-N128 HydrophobicContact CG1-CB 3.91Å; F93-N128 WeakPolarHBondContact O-CB 3.42Å; F93-N128 PolarHBondContact O-N 3.38Å; I95-N128 PolarHBondContact N-O 3.18Å; V126-N128 PolarHBondContact O-N 2.99Å; N128-T157 CarbonylContact C-O 3.43Å; N128-T157 VanDerWaalsContact CA-O 3.32Å; N128-T157 WeakPolarHBondContact CA-O 3.3Å; N128-T157 WeakPolarHBondContact CA-OG1 3.29Å; N128-T157 PolarHBondContact OD1-O 2.58Å; N128-T157 PolarHBondContact OD1-OG1 3.3Å; N128-A159 PolarHBondContact OD1-N 3.3Å
129	K	98.3	Very high	97.3	Very high	51 Å²	51	58 Å²	58	22%	0.222	28%	0.278	C	S	.	.			trans	70.4	35.8	-177.2	-44.7	-172.8	-164.8	164.3	0	113.4	G24 S94 I95 T96 D131 L132 T157	G24-K129 WeakPolarHBondContact O-CE 3.38Å; G24-K129 PolarHBondContact O-NZ 3.03Å; S94-K129 VanDerWaalsContact OG-CD 3.26Å; S94-K129 WeakPolarHBondContact OG-CD 3.4Å; S94-K129 VanDerWaalsContact OG-CE 3.32Å; S94-K129 WeakPolarHBondContact OG-CE 3.27Å; S94-K129 PolarHBondContact OG-NZ 3.33Å; I95-K129 WeakPolarHBondContact CD1-O 3.08Å; I95-K129 WeakPolarHBondContact CG1-O 3.2Å; T96-K129 HydrophobicContact CG2-CB 4.48Å; K129-D131 PolarHBondContact O-N 3.36Å; K129-D131 VanDerWaalsContact O-N 3.08Å; K129-L132 HydrophobicContact CB-CD1 4.09Å; K129-L132 HydrophobicContact CB-CG 4.32Å; K129-L132 HydrophobicContact CD-CD1 4.11Å; K129-L132 WeakPolarHBondContact O-CB 3.48Å; K129-L132 PolarHBondContact O-N 3.21Å; K129-T157 PolarHBondContact N-O 3.02Å
130	S	98.6	Very high	97.9	Very high	28 Å²	28	51.7 Å²	51.7	20%	0.196	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-12.6	175.6	72.5	0	0	0	0	114	L132 T157	S130-L132 VanDerWaalsContact C-N 3.26Å; S130-T157 WeakPolarHBondContact CB-O 3.26Å; S130-T157 PolarHBondContact N-O 3.26Å; S130-T157 VanDerWaalsContact OG-C 3.29Å; S130-T157 PolarHBondContact OG-O 2.8Å
131	D	98.3	Very high	98.3	Very high	59 Å²	59	52.2 Å²	52.2	32%	0.316	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-15.1	170	57.3	-73.1	0	0	0	113.6	K129 S158 T161	K129-D131 PolarHBondContact O-N 3.36Å; K129-D131 VanDerWaalsContact O-N 3.08Å; D131-S158 WeakPolarHBondContact CB-OG 3.43Å; D131-S158 VanDerWaalsContact OD1-CB 3.27Å; D131-S158 WeakPolarHBondContact OD1-CB 3.41Å; D131-S158 PolarHBondContact OD1-OG 3.44Å; D131-T161 HydrophobicContact CB-CG2 4.06Å
132	L	97.7	Very high	98.4	Very high	52 Å²	52	54.5 Å²	54.5	27%	0.272	26%	0.26	S	S	.	.			trans	-101.7	44.4	-178.9	-57.2	-177.6	0	0	0	112.2	T96 K129 S130 E134 R135 R136	T96-L132 HydrophobicContact CG2-CB 3.65Å; T96-L132 HydrophobicContact CG2-CD1 4Å; T96-L132 HydrophobicContact CG2-CG 4.47Å; K129-L132 HydrophobicContact CB-CD1 4.09Å; K129-L132 HydrophobicContact CB-CG 4.32Å; K129-L132 HydrophobicContact CD-CD1 4.11Å; K129-L132 WeakPolarHBondContact O-CB 3.48Å; K129-L132 PolarHBondContact O-N 3.21Å; S130-L132 VanDerWaalsContact C-N 3.26Å; L132-E134 VanDerWaalsContact C-N 3.26Å; L132-E134 PolarHBondContact O-N 3.36Å; L132-R135 HydrophobicContact CB-CB 4.45Å; L132-R135 WeakPolarHBondContact O-CA 3.44Å; L132-R135 PolarHBondContact O-N 2.59Å; L132-R136 PolarHBondContact O-N 3.32Å
133	E	98	Very high	98.4	Very high	104 Å²	104	54.5 Å²	54.5	49%	0.486	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-55.2	-38.4	-174.9	-170	59.7	-150	0	0	113	R135 R136	E133-R135 PolarHBondContact O-N 3.03Å; E133-R135 VanDerWaalsContact O-N 3.1Å; E133-R136 VanDerWaalsContact CD-NE 3.27Å; E133-R136 VanDerWaalsContact O-CB 3.25Å; E133-R136 WeakPolarHBondContact O-CB 3.2Å; E133-R136 PolarHBondContact O-N 2.94Å; E133-R136 VanDerWaalsContact O-N 3.08Å; E133-R136 IonicContact OE1-CZ 3.64Å; E133-R136 IonicContact OE1-NE 2.68Å; E133-R136 PolarHBondContact OE1-NE 3.45Å; E133-R136 IonicContact OE1-NH2 2.81Å; E133-R136 IonicContact OE2-CZ 2.55Å; E133-R136 IonicContact OE2-NE 2.8Å; E133-R136 PolarHBondContact OE2-NE 3.27Å; E133-R136 VanDerWaalsContact OE2-NE 3.1Å; E133-R136 IonicContact OE2-NH2 3.12Å; E133-R136 PolarHBondContact OE2-NH2 3Å
134	E	98	Very high	98.4	Very high	200 Å²	200	58.6 Å²	58.6	94%	0.935	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-63.2	-17.3	177.1	-61.4	-178.4	174.1	0	0	113.8	L132	L132-E134 VanDerWaalsContact C-N 3.26Å; L132-E134 PolarHBondContact O-N 3.36Å
135	R	98.1	Very high	98.4	Very high	176 Å²	176	62 Å²	62	66%	0.664	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-109.6	10.9	179.4	-57.9	-177.1	-175.5	178.4	1.4	112.4	T96 L132 E133 Q137	T96-R135 WeakPolarHBondContact CA-O 3.34Å; T96-R135 WeakPolarHBondContact CB-O 3.42Å; T96-R135 HydrophobicContact CG2-CB 3.89Å; L132-R135 HydrophobicContact CB-CB 4.45Å; L132-R135 WeakPolarHBondContact O-CA 3.44Å; L132-R135 PolarHBondContact O-N 2.59Å; E133-R135 PolarHBondContact O-N 3.03Å; E133-R135 VanDerWaalsContact O-N 3.1Å; R135-Q137 PolarHBondContact O-N 2.89Å
136	R	98.6	Very high	98.4	Very high	49 Å²	49	64.8 Å²	64.8	19%	0.185	31%	0.31	C	S	.	.			trans	-59.4	126.6	180	179.1	-179.6	-69.3	-82.7	3.5	110.6	I95 L132 E133 V138 E156	I95-R136 HydrophobicContact CD1-CB 4.39Å; I95-R136 HydrophobicContact CD1-CG 4.5Å; L132-R136 PolarHBondContact O-N 3.32Å; E133-R136 VanDerWaalsContact CD-NE 3.27Å; E133-R136 VanDerWaalsContact O-CB 3.25Å; E133-R136 WeakPolarHBondContact O-CB 3.2Å; E133-R136 PolarHBondContact O-N 2.94Å; E133-R136 VanDerWaalsContact O-N 3.08Å; E133-R136 IonicContact OE1-CZ 3.64Å; E133-R136 IonicContact OE1-NE 2.68Å; E133-R136 PolarHBondContact OE1-NE 3.45Å; E133-R136 IonicContact OE1-NH2 2.81Å; E133-R136 IonicContact OE2-CZ 2.55Å; E133-R136 IonicContact OE2-NE 2.8Å; E133-R136 PolarHBondContact OE2-NE 3.27Å; E133-R136 VanDerWaalsContact OE2-NE 3.1Å; E133-R136 IonicContact OE2-NH2 3.12Å; E133-R136 PolarHBondContact OE2-NH2 3Å; R136-V138 WeakPolarHBondContact CD-O 3.37Å; R136-V138 WeakPolarHBondContact CG-O 3.36Å; R136-V138 PolarHBondContact NH1-O 2.76Å; R136-E156 IonicContact CZ-OE1 3.77Å; R136-E156 IonicContact CZ-OE2 2.79Å; R136-E156 IonicContact NH1-OE1 3.89Å; R136-E156 PolarHBondContact NH1-OE1 2.77Å; R136-E156 VanDerWaalsContact NH2-CD 3.29Å; R136-E156 IonicContact NH2-OE1 3.33Å; R136-E156 PolarHBondContact NH2-OE1 2.72Å; R136-E156 IonicContact NH2-OE2 3.82Å; R136-E156 PolarHBondContact NH2-OE2 3.46Å
137	Q	98.7	Very high	98.4	Very high	105 Å²	105	64.9 Å²	64.9	49%	0.491	31%	0.311	S	S	.	.			trans	-110.7	-21.2	172.2	-62.8	-175.9	0.8	0	0	112.2	I95 T96 H98 R135 P139	I95-Q137 PolarHBondContact O-N 3.41Å; T96-Q137 PolarHBondContact O-NE2 2.97Å; T96-Q137 PolarHBondContact O-OE1 3.03Å; H98-Q137 HydrophobicContact CB-CB 4.3Å; H98-Q137 VanDerWaalsContact N-OE1 3.12Å; R135-Q137 PolarHBondContact O-N 2.89Å; Q137-P139 WeakPolarHBondContact O-CD 3.47Å
138	V	98.6	Very high	98.3	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	34%	0.341	C	S	.	.	S	Bend	trans	-106.2	109.4	178.4	-174.4	0	0	0	0	109.4	F93 I95 H98 F101 R136 A143	F93-V138 HydrophobicContact CD2-CG2 4.4Å; F93-V138 HydrophobicContact CE2-CB 4.04Å; F93-V138 HydrophobicContact CE2-CG1 3.87Å; F93-V138 HydrophobicContact CE2-CG2 4.12Å; F93-V138 HydrophobicContact CZ-CG1 4.33Å; I95-V138 PolarHBondContact O-N 2.85Å; H98-V138 HydrophobicContact CB-CG2 4.41Å; F101-V138 HydrophobicContact CB-CG1 4.23Å; F101-V138 HydrophobicContact CB-CG2 3.68Å; F101-V138 HydrophobicContact CD1-CG1 3.96Å; F101-V138 HydrophobicContact CD2-CG1 4.11Å; F101-V138 HydrophobicContact CE1-CG1 4.35Å; F101-V138 HydrophobicContact CE2-CG1 4.48Å; F101-V138 HydrophobicContact CG-CG1 3.83Å; F101-V138 HydrophobicContact CG-CG2 4.19Å; R136-V138 WeakPolarHBondContact CD-O 3.37Å; R136-V138 WeakPolarHBondContact CG-O 3.36Å; R136-V138 PolarHBondContact NH1-O 2.76Å; V138-A143 HydrophobicContact CG1-CB 4.19Å
139	P	98.3	Very high	98.3	Very high	66 Å²	66	77.2 Å²	77.2	43%	0.429	37%	0.368	S	S	.	.			trans	-58.8	139.4	172.9	-23.2	34	0	0	0	112	Q137 E141 E142 A143	Q137-P139 WeakPolarHBondContact O-CD 3.47Å; P139-E141 PolarHBondContact O-N 3.5Å; P139-E142 HydrophobicContact CB-CB 4.27Å; P139-E142 WeakPolarHBondContact CD-OE2 3.32Å; P139-E142 WeakPolarHBondContact O-CB 3.46Å; P139-E142 PolarHBondContact O-N 3.39Å; P139-E142 VanDerWaalsContact O-N 3.08Å; P139-A143 PolarHBondContact O-N 2.88Å
140	V	98.4	Very high	98.2	Very high	40 Å²	40	76 Å²	76	24%	0.242	36%	0.363	C	S	.	.	H	α-helix	trans	-54.8	-40.8	179.1	178.6	0	0	0	0	111.7	A143 R144 Y154	V140-A143 PolarHBondContact O-N 3.1Å; V140-R144 WeakPolarHBondContact O-CB 3.28Å; V140-R144 PolarHBondContact O-N 3.44Å; V140-Y154 HydrophobicContact CG1-CE1 4.16Å
141	E	98.1	Very high	98.1	Very high	119 Å²	119	78 Å²	78	56%	0.556	39%	0.388	S	S	*	.	H	α-helix	trans	-69.5	-32.1	-178.8	-59.3	-51.7	139.3	0	0	112.8	P139 R144 S145	P139-E141 PolarHBondContact O-N 3.5Å; E141-R144 VanDerWaalsContact CD-NH1 3.35Å; E141-R144 IonicContact OE1-CZ 2.95Å; E141-R144 IonicContact OE1-NH1 3.92Å; E141-R144 PolarHBondContact OE1-NH1 2.8Å; E141-R144 IonicContact OE2-NH1 3.77Å; E141-R144 PolarHBondContact OE2-NH1 3.2Å; E141-R144 VanDerWaalsContact OE2-NH1 3.12Å; E141-S145 WeakPolarHBondContact O-CB 3.49Å; E141-S145 PolarHBondContact O-N 3.49Å
142	E	98.3	Very high	98.1	Very high	76 Å²	76	76.5 Å²	76.5	36%	0.355	38%	0.38	S	S	.	.	H	α-helix	trans	-64.7	-49	174.4	-175.2	-178.5	164.2	0	0	110.2	H98 F101 P139 S145 K146	H98-E142 IonicContact CE1-OE1 2.77Å; H98-E142 IonicContact NE2-OE1 3.2Å; H98-E142 PolarHBondContact NE2-OE1 2.73Å; H98-E142 IonicContact NE2-OE2 2.81Å; F101-E142 HydrophobicContact CE1-CG 3.8Å; F101-E142 WeakPolarHBondContact CE1-OE1 3.49Å; F101-E142 HydrophobicContact CZ-CG 4.23Å; P139-E142 HydrophobicContact CB-CB 4.27Å; P139-E142 WeakPolarHBondContact CD-OE2 3.32Å; P139-E142 WeakPolarHBondContact O-CB 3.46Å; P139-E142 PolarHBondContact O-N 3.39Å; P139-E142 VanDerWaalsContact O-N 3.08Å; E142-S145 PolarHBondContact O-N 2.8Å; E142-K146 WeakPolarHBondContact O-CB 3.38Å; E142-K146 PolarHBondContact O-N 3.05Å
143	A	98.5	Very high	98.1	Very high	0 Å²	0	78.1 Å²	78.1	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-65.7	-40.9	178.6	0	0	0	0	0	112.7	F93 F101 V138 P139 V140 K146 A147 Y154	F93-A143 HydrophobicContact CE1-CB 4.42Å; F93-A143 HydrophobicContact CZ-CB 3.79Å; F101-A143 HydrophobicContact CE2-CB 3.86Å; F101-A143 HydrophobicContact CZ-CB 4.31Å; V138-A143 HydrophobicContact CG1-CB 4.19Å; P139-A143 PolarHBondContact O-N 2.88Å; V140-A143 PolarHBondContact O-N 3.1Å; A143-K146 PolarHBondContact O-N 2.88Å; A143-A147 WeakPolarHBondContact O-CB 3.38Å; A143-A147 PolarHBondContact O-N 2.91Å; A143-Y154 HydrophobicContact CB-CD1 4.25Å; A143-Y154 HydrophobicContact CB-CD2 4.3Å; A143-Y154 HydrophobicContact CB-CE1 3.69Å; A143-Y154 HydrophobicContact CB-CE2 3.77Å; A143-Y154 VanDerWaalsContact CB-CZ 3.41Å
144	R	98.5	Very high	98.1	Very high	100 Å²	100	74.8 Å²	74.8	38%	0.377	37%	0.37	S	S	.	.	H	α-helix	trans	-64.6	-48.5	176.3	-173.2	-178.1	-67	138.1	2	111.5	V140 E141 K146 A147 E148 Y154	V140-R144 WeakPolarHBondContact O-CB 3.28Å; V140-R144 PolarHBondContact O-N 3.44Å; E141-R144 VanDerWaalsContact CD-NH1 3.35Å; E141-R144 IonicContact OE1-CZ 2.95Å; E141-R144 IonicContact OE1-NH1 3.92Å; E141-R144 PolarHBondContact OE1-NH1 2.8Å; E141-R144 IonicContact OE2-NH1 3.77Å; E141-R144 PolarHBondContact OE2-NH1 3.2Å; E141-R144 VanDerWaalsContact OE2-NH1 3.12Å; R144-K146 PolarHBondContact O-N 2.79Å; R144-A147 PolarHBondContact O-N 2.95Å; R144-A147 VanDerWaalsContact O-N 3.16Å; R144-E148 WeakPolarHBondContact O-CG 3.19Å; R144-E148 PolarHBondContact O-N 2.85Å; R144-Y154 HydrophobicContact CB-CD1 4.03Å
145	S	98.5	Very high	98.1	Very high	73 Å²	73	65.7 Å²	65.7	51%	0.51	33%	0.328	S	S	.	.	H	α-helix	trans	-59.1	-38	178.3	-177.8	0	0	0	0	111.5	E141 E142 E148 E149	E141-S145 WeakPolarHBondContact O-CB 3.49Å; E141-S145 PolarHBondContact O-N 3.49Å; E142-S145 PolarHBondContact O-N 2.8Å; S145-E148 PolarHBondContact O-N 2.95Å; S145-E149 PolarHBondContact O-N 2.85Å
146	K	98.2	Very high	98.2	Very high	59 Å²	59	59.1 Å²	59.1	26%	0.257	31%	0.305	S	S	.	.	H	α-helix	trans	-69.1	-40.1	177.1	-164.1	69.1	-173.9	165.8	0	112.8	F101 E142 A143 R144 E149 W150	F101-K146 HydrophobicContact CE2-CB 4.42Å; F101-K146 HydrophobicContact CZ-CB 3.84Å; F101-K146 HydrophobicContact CZ-CG 4.14Å; E142-K146 WeakPolarHBondContact O-CB 3.38Å; E142-K146 PolarHBondContact O-N 3.05Å; A143-K146 PolarHBondContact O-N 2.88Å; R144-K146 PolarHBondContact O-N 2.79Å; K146-E149 WeakPolarHBondContact CD-OE2 3.27Å; K146-E149 IonicContact NZ-OE1 3.03Å; K146-E149 PolarHBondContact NZ-OE1 2.97Å; K146-E149 IonicContact NZ-OE2 3.7Å; K146-E149 PolarHBondContact NZ-OE2 2.93Å; K146-E149 WeakPolarHBondContact O-CB 3.48Å; K146-E149 PolarHBondContact O-N 3.23Å; K146-W150 HydrophobicContact CD-CZ2 4.15Å; K146-W150 HydrophobicContact CG-CD2 4.29Å; K146-W150 HydrophobicContact CG-CE3 4.4Å; K146-W150 HydrophobicContact CG-CH2 3.93Å; K146-W150 HydrophobicContact CG-CZ2 3.8Å; K146-W150 HydrophobicContact CG-CZ3 4.23Å; K146-W150 PolarHBondContact O-N 3.19Å; K146-W150 VanDerWaalsContact O-N 3.15Å
147	A	98.3	Very high	98.2	Very high	2 Å²	2	56.8 Å²	56.8	2%	0.017	30%	0.296	C	S	.	.	H	α-helix	trans	-65.2	-39.1	175.3	0	0	0	0	0	112.1	V125 A143 R144 W150 G151 V152	V125-A147 HydrophobicContact CB-CB 4.36Å; V125-A147 HydrophobicContact CG2-CB 4.34Å; A143-A147 WeakPolarHBondContact O-CB 3.38Å; A143-A147 PolarHBondContact O-N 2.91Å; R144-A147 PolarHBondContact O-N 2.95Å; R144-A147 VanDerWaalsContact O-N 3.16Å; A147-W150 CarbonylContact O-C 3.52Å; A147-W150 PolarHBondContact O-N 3.04Å; A147-G151 PolarHBondContact O-N 2.95Å; A147-V152 CarbonylContact C-O 3.58Å; A147-V152 HydrophobicContact CB-CG2 4.07Å; A147-V152 WeakPolarHBondContact CB-O 3.33Å; A147-V152 PolarHBondContact O-N 3.03Å; A147-V152 VanDerWaalsContact O-O 3.1Å
148	E	97.9	Very high	98.2	Very high	135 Å²	135	51.8 Å²	51.8	63%	0.631	27%	0.272	S	S	*	.	H	α-helix	trans	-62.5	-45.1	173.3	-74.3	176.8	-168.7	0	0	112.2	R144 S145 W150 G151	R144-E148 WeakPolarHBondContact O-CG 3.19Å; R144-E148 PolarHBondContact O-N 2.85Å; S145-E148 PolarHBondContact O-N 2.95Å; E148-W150 PolarHBondContact O-N 3.3Å; E148-G151 PolarHBondContact O-N 3.22Å
149	E	97.8	Very high	98.2	Very high	128 Å²	128	52 Å²	52	60%	0.598	27%	0.274	S	S	*	.	H	α-helix	trans	-54.1	-38.2	173.1	-176.1	-161.8	131.8	0	0	111.5	S145 K146	S145-E149 PolarHBondContact O-N 2.85Å; K146-E149 WeakPolarHBondContact CD-OE2 3.27Å; K146-E149 IonicContact NZ-OE1 3.03Å; K146-E149 PolarHBondContact NZ-OE1 2.97Å; K146-E149 IonicContact NZ-OE2 3.7Å; K146-E149 PolarHBondContact NZ-OE2 2.93Å; K146-E149 WeakPolarHBondContact O-CB 3.48Å; K146-E149 PolarHBondContact O-N 3.23Å
150	W	97.1	Very high	98.1	Very high	26 Å²	26	53.7 Å²	53.7	10%	0.098	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-7.2	179.7	-68	-13	0	0	0	114.8	L91 T104 A105 R108 V125 K146 A147 E148 V152	L91-W150 HydrophobicContact CD2-CZ3 4.05Å; T104-W150 WeakPolarHBondContact OG1-CH2 3.4Å; A105-W150 HydrophobicContact CB-CH2 4.31Å; A105-W150 HydrophobicContact CB-CZ2 3.94Å; R108-W150 VanDerWaalsContact CD-CE2 3.43Å; R108-W150 VanDerWaalsContact CZ-CD1 3.41Å; V125-W150 HydrophobicContact CG2-CE3 3.93Å; V125-W150 HydrophobicContact CG2-CZ3 3.99Å; K146-W150 HydrophobicContact CD-CZ2 4.15Å; K146-W150 HydrophobicContact CG-CD2 4.29Å; K146-W150 HydrophobicContact CG-CE3 4.4Å; K146-W150 HydrophobicContact CG-CH2 3.93Å; K146-W150 HydrophobicContact CG-CZ2 3.8Å; K146-W150 HydrophobicContact CG-CZ3 4.23Å; K146-W150 PolarHBondContact O-N 3.19Å; K146-W150 VanDerWaalsContact O-N 3.15Å; A147-W150 CarbonylContact O-C 3.52Å; A147-W150 PolarHBondContact O-N 3.04Å; E148-W150 PolarHBondContact O-N 3.3Å; W150-V152 HydrophobicContact CB-CG2 3.93Å; W150-V152 HydrophobicContact CE3-CG2 4.47Å
151	G	97	Very high	98.1	Very high	70 Å²	70	56 Å²	56	72%	0.722	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	30.7	-176.7	0	0	0	0	0	113.9	A147 E148	A147-G151 PolarHBondContact O-N 2.95Å; E148-G151 PolarHBondContact O-N 3.22Å
152	V	97.7	Very high	98.1	Very high	26 Å²	26	53.3 Å²	53.3	16%	0.158	27%	0.273	C	S	.	.			trans	-124.4	158.5	-178.8	-61.5	0	0	0	0	111.3	L123 V125 A147 W150	L123-V152 HydrophobicContact CB-CG1 3.99Å; L123-V152 HydrophobicContact CD2-CG1 4.03Å; L123-V152 HydrophobicContact CG-CG1 4.11Å; V125-V152 HydrophobicContact CG2-CG2 3.61Å; A147-V152 CarbonylContact C-O 3.58Å; A147-V152 HydrophobicContact CB-CG2 4.07Å; A147-V152 WeakPolarHBondContact CB-O 3.33Å; A147-V152 PolarHBondContact O-N 3.03Å; A147-V152 VanDerWaalsContact O-O 3.1Å; W150-V152 HydrophobicContact CB-CG2 3.93Å; W150-V152 HydrophobicContact CE3-CG2 4.47Å
153	Q	97.3	Very high	98.1	Very high	86 Å²	86	51.4 Å²	51.4	40%	0.402	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	148.5	176.6	-40	176.9	12.3	0	0	110.6	L124 V125	L124-Q153 HydrophobicContact CD1-CB 3.61Å; L124-Q153 HydrophobicContact CD1-CG 4.06Å; V125-Q153 PolarHBondContact N-O 2.86Å
154	Y	98.7	Very high	98.1	Very high	35 Å²	35	55 Å²	55	14%	0.137	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.8	171.3	171.1	-127.8	0	0	0	110.5	F93 V125 V140 A143 R144 E156	F93-Y154 HydrophobicContact CE1-CD2 4.48Å; F93-Y154 AromaticContact CE1-CE2 3.82Å; F93-Y154 HydrophobicContact CE1-CE2 3.82Å; F93-Y154 AromaticContact CZ-CE2 3.78Å; F93-Y154 HydrophobicContact CZ-CE2 3.78Å; V125-Y154 HydrophobicContact CB-CD2 4.38Å; V125-Y154 HydrophobicContact CG1-CD2 3.96Å; V125-Y154 WeakPolarHBondContact O-CA 3.25Å; V140-Y154 HydrophobicContact CG1-CE1 4.16Å; A143-Y154 HydrophobicContact CB-CD1 4.25Å; A143-Y154 HydrophobicContact CB-CD2 4.3Å; A143-Y154 HydrophobicContact CB-CE1 3.69Å; A143-Y154 HydrophobicContact CB-CE2 3.77Å; A143-Y154 VanDerWaalsContact CB-CZ 3.41Å; R144-Y154 HydrophobicContact CB-CD1 4.03Å; Y154-E156 HydrophobicContact CE1-CG 4.07Å; Y154-E156 HydrophobicContact CE2-CG 4.19Å; Y154-E156 WeakPolarHBondContact OH-CG 3.23Å; Y154-E156 PolarHBondContact OH-OE1 3.2Å
155	V	98.8	Very high	98.1	Very high	9 Å²	9	50.3 Å²	50.3	6%	0.055	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	132.7	176.3	-176.4	0	0	0	0	109.4	L124 V125 V126 G127 T157 N164 K167 V168	L124-V155 HydrophobicContact CD2-CG2 4.18Å; V125-V155 PolarHBondContact O-N 2.82Å; V126-V155 VanDerWaalsContact CA-O 3.31Å; V126-V155 WeakPolarHBondContact CA-O 3.41Å; G127-V155 PolarHBondContact N-O 2.81Å; V155-T157 HydrophobicContact CG1-CG2 4.4Å; V155-N164 HydrophobicContact CG1-CB 3.79Å; V155-K167 HydrophobicContact CG1-CD 4.14Å; V155-V168 HydrophobicContact CB-CG1 3.71Å; V155-V168 HydrophobicContact CG1-CG1 3.64Å; V155-V168 HydrophobicContact CG2-CG1 4.25Å
156	E	98.9	Very high	98.1	Very high	38 Å²	38	49.5 Å²	49.5	18%	0.178	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	138.8	168.5	-66.4	-161.8	149.2	0	0	111.5	G127 R136 Y154 N164	G127-E156 CarbonylContact O-C 3.52Å; G127-E156 WeakPolarHBondContact O-CA 3.48Å; R136-E156 IonicContact CZ-OE1 3.77Å; R136-E156 IonicContact CZ-OE2 2.79Å; R136-E156 IonicContact NH1-OE1 3.89Å; R136-E156 PolarHBondContact NH1-OE1 2.77Å; R136-E156 VanDerWaalsContact NH2-CD 3.29Å; R136-E156 IonicContact NH2-OE1 3.33Å; R136-E156 PolarHBondContact NH2-OE1 2.72Å; R136-E156 IonicContact NH2-OE2 3.82Å; R136-E156 PolarHBondContact NH2-OE2 3.46Å; Y154-E156 HydrophobicContact CE1-CG 4.07Å; Y154-E156 HydrophobicContact CE2-CG 4.19Å; Y154-E156 WeakPolarHBondContact OH-CG 3.23Å; Y154-E156 PolarHBondContact OH-OE1 3.2Å; E156-N164 VanDerWaalsContact O-CB 3.3Å; E156-N164 WeakPolarHBondContact O-CB 3.1Å; E156-N164 PolarHBondContact O-ND2 3.37Å
157	T	98.9	Very high	98.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	156.5	-178.8	60.7	0	0	0	0	111.7	V126 G127 N128 K129 S130 V155 A163 N164 V168	V126-T157 HydrophobicContact CG1-CG2 3.63Å; V126-T157 WeakPolarHBondContact CG1-OG1 3.34Å; G127-T157 PolarHBondContact O-N 2.97Å; N128-T157 CarbonylContact C-O 3.43Å; N128-T157 VanDerWaalsContact CA-O 3.32Å; N128-T157 WeakPolarHBondContact CA-O 3.3Å; N128-T157 WeakPolarHBondContact CA-OG1 3.29Å; N128-T157 PolarHBondContact OD1-O 2.58Å; N128-T157 PolarHBondContact OD1-OG1 3.3Å; K129-T157 PolarHBondContact N-O 3.02Å; S130-T157 WeakPolarHBondContact CB-O 3.26Å; S130-T157 PolarHBondContact N-O 3.26Å; S130-T157 VanDerWaalsContact OG-C 3.29Å; S130-T157 PolarHBondContact OG-O 2.8Å; V155-T157 HydrophobicContact CG1-CG2 4.4Å; T157-A163 VanDerWaalsContact CA-O 3.28Å; T157-A163 WeakPolarHBondContact CA-O 3.15Å; T157-N164 HydrophobicContact CG2-CB 3.95Å; T157-V168 HydrophobicContact CG2-CG1 3.61Å; T157-V168 HydrophobicContact CG2-CG2 4.12Å
158	S	98.6	Very high	98.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.265	C	S	.	.			trans	-127.3	111.8	162.2	172.4	0	0	0	0	108.8	D131 K160 T161 R162 A163	D131-S158 WeakPolarHBondContact CB-OG 3.43Å; D131-S158 VanDerWaalsContact OD1-CB 3.27Å; D131-S158 WeakPolarHBondContact OD1-CB 3.41Å; D131-S158 PolarHBondContact OD1-OG 3.44Å; S158-K160 PolarHBondContact O-N 2.93Å; S158-K160 PolarHBondContact OG-N 3.29Å; S158-T161 WeakPolarHBondContact CB-OG1 3.47Å; S158-T161 PolarHBondContact OG-N 2.99Å; S158-T161 PolarHBondContact OG-OG1 3.5Å; S158-R162 CarbonylContact O-C 3.54Å; S158-R162 VanDerWaalsContact O-CA 3.25Å; S158-R162 WeakPolarHBondContact O-CA 3.2Å; S158-R162 PolarHBondContact O-N 2.97Å; S158-A163 PolarHBondContact N-O 2.93Å; S158-A163 PolarHBondContact O-N 2.77Å
159	A	97.9	Very high	98.2	Very high	3 Å²	3	44 Å²	44	3%	0.025	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.9	169.3	0	0	0	0	0	111.7	A29 L30 Q33 F39 N128	A29-A159 HydrophobicContact CB-CB 3.64Å; L30-A159 HydrophobicContact CD2-CB 3.94Å; L30-A159 HydrophobicContact CG-CB 4.22Å; Q33-A159 PolarHBondContact NE2-O 3.27Å; F39-A159 HydrophobicContact CD2-CB 4.12Å; F39-A159 WeakPolarHBondContact CD2-O 3.46Å; F39-A159 HydrophobicContact CE2-CB 4.08Å; N128-A159 PolarHBondContact OD1-N 3.3Å
160	K	97.3	Very high	98.2	Very high	103 Å²	103	39.8 Å²	39.8	45%	0.448	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-48	179.8	-176.5	170	-173.3	161.8	0	112.9	F39 E41 S158	F39-K160 HydrophobicContact CD1-CB 4.2Å; F39-K160 HydrophobicContact CD1-CG 3.98Å; F39-K160 HydrophobicContact CD2-CB 4.37Å; F39-K160 HydrophobicContact CE1-CB 3.78Å; F39-K160 HydrophobicContact CE1-CD 3.99Å; F39-K160 HydrophobicContact CE1-CG 3.62Å; F39-K160 HydrophobicContact CE2-CB 4Å; F39-K160 HydrophobicContact CG-CB 4.46Å; F39-K160 HydrophobicContact CZ-CB 3.7Å; F39-K160 HydrophobicContact CZ-CD 4.38Å; F39-K160 HydrophobicContact CZ-CG 4.06Å; E41-K160 IonicContact OE1-NZ 2.78Å; S158-K160 PolarHBondContact O-N 2.93Å; S158-K160 PolarHBondContact OG-N 3.29Å
161	T	97.4	Very high	98.3	Very high	87 Å²	87	39.7 Å²	39.7	53%	0.534	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	0.2	-176.6	67.8	0	0	0	0	113.4	D131 S158 A163	D131-T161 HydrophobicContact CB-CG2 4.06Å; S158-T161 WeakPolarHBondContact CB-OG1 3.47Å; S158-T161 PolarHBondContact OG-N 2.99Å; S158-T161 PolarHBondContact OG-OG1 3.5Å; T161-A163 PolarHBondContact O-N 3.02Å; T161-A163 WeakPolarHBondContact OG1-CB 3.47Å; T161-A163 PolarHBondContact OG1-N 2.83Å
162	R	97.9	Very high	98.4	Very high	64 Å²	64	36.4 Å²	36.4	24%	0.242	18%	0.183	C	C	.	.			trans	63.5	9.5	-170.6	-154.8	-167	178.3	85.4	-3.8	114.3	Q33 D37 S158 N164 V165 D166	Q33-R162 HydrophobicContact CG-CB 4.28Å; Q33-R162 HydrophobicContact CG-CG 3.85Å; Q33-R162 PolarHBondContact O-NH1 2.87Å; D37-R162 IonicContact OD1-CZ 3.11Å; D37-R162 IonicContact OD1-NH1 2.68Å; D37-R162 PolarHBondContact OD1-NH1 3.23Å; D37-R162 IonicContact OD1-NH2 3.99Å; D37-R162 PolarHBondContact OD1-NH2 2.67Å; S158-R162 CarbonylContact O-C 3.54Å; S158-R162 VanDerWaalsContact O-CA 3.25Å; S158-R162 WeakPolarHBondContact O-CA 3.2Å; S158-R162 PolarHBondContact O-N 2.97Å; R162-N164 PolarHBondContact O-N 3.38Å; R162-N164 VanDerWaalsContact O-N 3.12Å; R162-V165 HydrophobicContact CG-CB 4.11Å; R162-V165 HydrophobicContact CG-CG2 4.3Å; R162-V165 PolarHBondContact O-N 3.3Å; R162-D166 IonicContact CZ-OD1 3.69Å; R162-D166 IonicContact CZ-OD2 3.66Å; R162-D166 IonicContact NE-OD1 2.79Å; R162-D166 IonicContact NE-OD2 2.88Å; R162-D166 PolarHBondContact NE-OD2 3.04Å; R162-D166 IonicContact NH2-OD1 3.1Å; R162-D166 PolarHBondContact NH2-OD1 3.33Å; R162-D166 IonicContact NH2-OD2 2.73Å; R162-D166 PolarHBondContact NH2-OD2 3.28Å
163	A	98.7	Very high	98.4	Very high	35 Å²	35	35.2 Å²	35.2	29%	0.289	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	122.9	179.6	0	0	0	0	0	110.6	T157 S158 T161 V165	T157-A163 VanDerWaalsContact CA-O 3.28Å; T157-A163 WeakPolarHBondContact CA-O 3.15Å; S158-A163 PolarHBondContact N-O 2.93Å; S158-A163 PolarHBondContact O-N 2.77Å; T161-A163 PolarHBondContact O-N 3.02Å; T161-A163 WeakPolarHBondContact OG1-CB 3.47Å; T161-A163 PolarHBondContact OG1-N 2.83Å; A163-V165 PolarHBondContact O-N 2.95Å
164	N	98.7	Very high	98.4	Very high	77 Å²	77	35 Å²	35	41%	0.412	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	12.2	179.2	-63.2	-38.7	0	0	0	116.5	V155 E156 T157 R162 K167 V168	V155-N164 HydrophobicContact CG1-CB 3.79Å; E156-N164 VanDerWaalsContact O-CB 3.3Å; E156-N164 WeakPolarHBondContact O-CB 3.1Å; E156-N164 PolarHBondContact O-ND2 3.37Å; T157-N164 HydrophobicContact CG2-CB 3.95Å; R162-N164 PolarHBondContact O-N 3.38Å; R162-N164 VanDerWaalsContact O-N 3.12Å; N164-K167 HydrophobicContact CB-CB 4.19Å; N164-K167 HydrophobicContact CB-CD 4.41Å; N164-K167 WeakPolarHBondContact O-CB 3.39Å; N164-K167 PolarHBondContact O-N 3.43Å; N164-V168 PolarHBondContact O-N 3.44Å; N164-V168 VanDerWaalsContact O-N 3.15Å
165	V	98.7	Very high	98.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.8	-52.7	-180	175.8	0	0	0	0	110.6	L30 Q33 F34 R162 A163 K167 V168 F169	L30-V165 HydrophobicContact CD2-CG1 4.46Å; L30-V165 HydrophobicContact CD2-CG2 3.76Å; Q33-V165 HydrophobicContact CB-CG1 4.23Å; Q33-V165 HydrophobicContact CG-CB 4.34Å; Q33-V165 HydrophobicContact CG-CG1 4Å; Q33-V165 HydrophobicContact CG-CG2 4.04Å; F34-V165 HydrophobicContact CB-CG1 3.91Å; R162-V165 HydrophobicContact CG-CB 4.11Å; R162-V165 HydrophobicContact CG-CG2 4.3Å; R162-V165 PolarHBondContact O-N 3.3Å; A163-V165 PolarHBondContact O-N 2.95Å; V165-K167 VanDerWaalsContact C-N 3.27Å; V165-K167 PolarHBondContact O-N 3.18Å; V165-V168 WeakPolarHBondContact O-CG2 3.46Å; V165-V168 PolarHBondContact O-N 2.92Å; V165-F169 HydrophobicContact CG1-CD2 4.38Å; V165-F169 HydrophobicContact CG1-CE2 4.23Å; V165-F169 VanDerWaalsContact O-CD2 3.28Å; V165-F169 WeakPolarHBondContact O-CD2 3.42Å
166	D	98.4	Very high	98.3	Very high	56 Å²	56	35.1 Å²	35.1	30%	0.299	17%	0.172	S	C	.	.	H	α-helix	trans	-60.7	-40.5	176.3	-62.6	-54.1	0	0	0	110.9	F34 R162 V168 F169 F170	F34-D166 WeakPolarHBondContact CD2-OD1 3.39Å; R162-D166 IonicContact CZ-OD1 3.69Å; R162-D166 IonicContact CZ-OD2 3.66Å; R162-D166 IonicContact NE-OD1 2.79Å; R162-D166 IonicContact NE-OD2 2.88Å; R162-D166 PolarHBondContact NE-OD2 3.04Å; R162-D166 IonicContact NH2-OD1 3.1Å; R162-D166 PolarHBondContact NH2-OD1 3.33Å; R162-D166 IonicContact NH2-OD2 2.73Å; R162-D166 PolarHBondContact NH2-OD2 3.28Å; D166-V168 PolarHBondContact O-N 3.45Å; D166-F169 PolarHBondContact O-N 2.91Å; D166-F170 HydrophobicContact CB-CD2 4.12Å; D166-F170 HydrophobicContact CB-CE2 4.35Å; D166-F170 WeakPolarHBondContact O-CB 3.37Å; D166-F170 VanDerWaalsContact O-CD2 3.24Å; D166-F170 WeakPolarHBondContact O-CD2 3.49Å; D166-F170 PolarHBondContact O-N 3.2Å
167	K	98.6	Very high	98.2	Very high	80 Å²	80	35.7 Å²	35.7	35%	0.348	17%	0.173	S	C	.	.	H	α-helix	trans	-53.5	-50.6	-178.4	-176.4	-176.1	-175.4	-57.1	0	111.9	V155 N164 V165 F169 F170 D171	V155-K167 HydrophobicContact CG1-CD 4.14Å; N164-K167 HydrophobicContact CB-CB 4.19Å; N164-K167 HydrophobicContact CB-CD 4.41Å; N164-K167 WeakPolarHBondContact O-CB 3.39Å; N164-K167 PolarHBondContact O-N 3.43Å; V165-K167 VanDerWaalsContact C-N 3.27Å; V165-K167 PolarHBondContact O-N 3.18Å; K167-F169 PolarHBondContact O-N 2.97Å; K167-F170 PolarHBondContact O-N 3.31Å; K167-D171 VanDerWaalsContact CG-OD2 3.28Å; K167-D171 WeakPolarHBondContact CG-OD2 3.44Å; K167-D171 IonicContact NZ-OD2 3.06Å; K167-D171 PolarHBondContact NZ-OD2 3.23Å; K167-D171 VanDerWaalsContact O-CB 3.25Å; K167-D171 WeakPolarHBondContact O-CB 3.25Å; K167-D171 PolarHBondContact O-N 3.42Å
168	V	98.8	Very high	98	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.8	-39.2	-175.9	-64.6	0	0	0	0	112.7	L90 L124 V126 V155 T157 N164 V165 D166 L172	L90-V168 HydrophobicContact CD1-CB 4.39Å; L90-V168 HydrophobicContact CD1-CG2 4.09Å; L90-V168 HydrophobicContact CD2-CB 4.19Å; L124-V168 HydrophobicContact CD2-CB 3.82Å; L124-V168 HydrophobicContact CD2-CG1 3.85Å; V126-V168 HydrophobicContact CG1-CG1 4.3Å; V126-V168 HydrophobicContact CG2-CB 4.2Å; V126-V168 HydrophobicContact CG2-CG1 3.93Å; V155-V168 HydrophobicContact CB-CG1 3.71Å; V155-V168 HydrophobicContact CG1-CG1 3.64Å; V155-V168 HydrophobicContact CG2-CG1 4.25Å; T157-V168 HydrophobicContact CG2-CG1 3.61Å; T157-V168 HydrophobicContact CG2-CG2 4.12Å; N164-V168 PolarHBondContact O-N 3.44Å; N164-V168 VanDerWaalsContact O-N 3.15Å; V165-V168 WeakPolarHBondContact O-CG2 3.46Å; V165-V168 PolarHBondContact O-N 2.92Å; D166-V168 PolarHBondContact O-N 3.45Å; V168-L172 WeakPolarHBondContact O-CB 3.36Å; V168-L172 PolarHBondContact O-N 3.06Å; V168-L172 VanDerWaalsContact O-N 3.12Å
169	F	98.7	Very high	97.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-69.5	-45	177.1	-74	-74	0	0	0	111.8	V17 M19 L30 F34 I64 I66 L90 V165 D166 K167 M173	V17-F169 HydrophobicContact CG1-CD1 4.46Å; V17-F169 HydrophobicContact CG1-CE1 4.38Å; M19-F169 HydrophobicContact CE-CE1 4.43Å; M19-F169 HydrophobicContact CE-CZ 3.97Å; M19-F169 HydrophobicContact SD-CE1 3.78Å; M19-F169 HydrophobicContact SD-CZ 3.9Å; L30-F169 HydrophobicContact CB-CE2 4.49Å; F34-F169 HydrophobicContact CB-CD2 3.57Å; F34-F169 HydrophobicContact CB-CE2 3.44Å; F34-F169 VanDerWaalsContact CB-CE2 3.44Å; F34-F169 HydrophobicContact CB-CG 4.44Å; F34-F169 HydrophobicContact CB-CZ 4.21Å; F34-F169 HydrophobicContact CD1-CB 4.47Å; F34-F169 HydrophobicContact CD1-CD1 4.33Å; F34-F169 AromaticContact CD1-CD2 3.98Å; F34-F169 HydrophobicContact CD1-CD2 3.98Å; F34-F169 HydrophobicContact CD1-CE2 4.3Å; F34-F169 HydrophobicContact CD1-CG 4.01Å; F34-F169 HydrophobicContact CD2-CB 3.94Å; F34-F169 AromaticContact CD2-CD2 3.54Å; F34-F169 HydrophobicContact CD2-CD2 3.54Å; F34-F169 HydrophobicContact CD2-CE2 4.32Å; F34-F169 AromaticContact CD2-CG 3.93Å; F34-F169 HydrophobicContact CD2-CG 3.93Å; F34-F169 HydrophobicContact CE1-CB 4.25Å; F34-F169 HydrophobicContact CE1-CG 4.22Å; F34-F169 HydrophobicContact CE2-CB 3.68Å; F34-F169 HydrophobicContact CE2-CD2 4.2Å; F34-F169 HydrophobicContact CE2-CG 4.14Å; F34-F169 HydrophobicContact CG-CB 4.31Å; F34-F169 AromaticContact CG-CD2 3.39Å; F34-F169 HydrophobicContact CG-CD2 3.39Å; F34-F169 AromaticContact CG-CE2 3.77Å; F34-F169 HydrophobicContact CG-CE2 3.77Å; F34-F169 AromaticContact CG-CG 3.85Å; F34-F169 HydrophobicContact CG-CG 3.85Å; F34-F169 HydrophobicContact CG-CZ 4.48Å; F34-F169 HydrophobicContact CZ-CB 3.84Å; F34-F169 HydrophobicContact CZ-CG 4.27Å; I64-F169 HydrophobicContact CD1-CB 4.42Å; I64-F169 HydrophobicContact CD1-CD1 3.96Å; I66-F169 HydrophobicContact CD1-CD1 3.89Å; I66-F169 HydrophobicContact CD1-CE1 3.5Å; I66-F169 VanDerWaalsContact CD1-CE1 3.5Å; I66-F169 HydrophobicContact CD1-CZ 4.08Å; I66-F169 HydrophobicContact CG1-CD1 4.37Å; I66-F169 HydrophobicContact CG1-CE1 4.02Å; I66-F169 HydrophobicContact CG2-CE1 4.19Å; L90-F169 HydrophobicContact CD1-CD1 3.8Å; L90-F169 HydrophobicContact CD1-CE1 3.63Å; L90-F169 HydrophobicContact CD1-CE2 4.43Å; L90-F169 HydrophobicContact CD1-CG 4.29Å; L90-F169 HydrophobicContact CD1-CZ 3.97Å; V165-F169 HydrophobicContact CG1-CD2 4.38Å; V165-F169 HydrophobicContact CG1-CE2 4.23Å; V165-F169 VanDerWaalsContact O-CD2 3.28Å; V165-F169 WeakPolarHBondContact O-CD2 3.42Å; D166-F169 PolarHBondContact O-N 2.91Å; K167-F169 PolarHBondContact O-N 2.97Å; F169-M173 WeakPolarHBondContact O-CG 3.28Å; F169-M173 PolarHBondContact O-N 3.3Å
170	F	98.6	Very high	97.7	Very high	40 Å²	40	42.6 Å²	42.6	18%	0.175	21%	0.209	C	C	.	.	H	α-helix	trans	-66.7	-43.3	178.4	-82.7	-81	0	0	0	112.5	F34 V55 V56 L57 D166 K167 L172 M173 R174	F34-F170 HydrophobicContact CE2-CD2 4.25Å; F34-F170 AromaticContact CE2-CE2 3.96Å; F34-F170 HydrophobicContact CE2-CE2 3.96Å; F34-F170 HydrophobicContact CZ-CE2 4.44Å; V55-F170 HydrophobicContact CB-CE1 4.35Å; V55-F170 HydrophobicContact CB-CZ 4.12Å; V55-F170 HydrophobicContact CG1-CZ 4.5Å; V55-F170 HydrophobicContact CG2-CE1 4.34Å; V56-F170 WeakPolarHBondContact O-CE1 3.49Å; L57-F170 HydrophobicContact CD1-CD1 3.64Å; L57-F170 HydrophobicContact CD1-CE1 4.33Å; D166-F170 HydrophobicContact CB-CD2 4.12Å; D166-F170 HydrophobicContact CB-CE2 4.35Å; D166-F170 WeakPolarHBondContact O-CB 3.37Å; D166-F170 VanDerWaalsContact O-CD2 3.24Å; D166-F170 WeakPolarHBondContact O-CD2 3.49Å; D166-F170 PolarHBondContact O-N 3.2Å; K167-F170 PolarHBondContact O-N 3.31Å; F170-L172 PolarHBondContact O-N 3.06Å; F170-M173 HydrophobicContact CB-CE 4.4Å; F170-M173 HydrophobicContact CD1-CE 3.62Å; F170-M173 HydrophobicContact CD2-CE 4.48Å; F170-M173 HydrophobicContact CE1-CE 3.92Å; F170-M173 HydrophobicContact CG-CE 3.92Å; F170-M173 HydrophobicContact CZ-CE 4.48Å; F170-M173 PolarHBondContact O-N 2.96Å; F170-R174 WeakPolarHBondContact O-CG 3.01Å; F170-R174 PolarHBondContact O-N 2.84Å
171	D	98.5	Very high	97.4	Very high	25 Å²	25	42.5 Å²	42.5	13%	0.134	21%	0.211	C	C	.	.	H	α-helix	trans	-63.2	-42.3	177.9	-72.7	-14.2	0	0	0	111.7	K167 M173 R174 E175	K167-D171 VanDerWaalsContact CG-OD2 3.28Å; K167-D171 WeakPolarHBondContact CG-OD2 3.44Å; K167-D171 IonicContact NZ-OD2 3.06Å; K167-D171 PolarHBondContact NZ-OD2 3.23Å; K167-D171 VanDerWaalsContact O-CB 3.25Å; K167-D171 WeakPolarHBondContact O-CB 3.25Å; K167-D171 PolarHBondContact O-N 3.42Å; D171-M173 PolarHBondContact O-N 3.23Å; D171-R174 WeakPolarHBondContact O-CB 3.48Å; D171-R174 PolarHBondContact O-N 3.34Å; D171-R174 IonicContact OD1-CZ 3.24Å; D171-R174 IonicContact OD1-NH1 2.71Å; D171-R174 PolarHBondContact OD1-NH1 3.32Å; D171-E175 PolarHBondContact O-N 3.08Å; D171-E175 VanDerWaalsContact O-N 3.07Å
172	L	98.6	Very high	97	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-64.1	-41.5	175	-176.9	64.2	0	0	0	111.9	V17 L90 P122 V168 F170 R174 E175 I176	V17-L172 HydrophobicContact CB-CD2 4.24Å; V17-L172 HydrophobicContact CG1-CD2 3.58Å; V17-L172 HydrophobicContact CG2-CD2 3.77Å; V17-L172 HydrophobicContact CG2-CG 4.39Å; L90-L172 HydrophobicContact CD2-CB 4.06Å; L90-L172 HydrophobicContact CD2-CD2 3.68Å; L90-L172 HydrophobicContact CD2-CG 4.39Å; L90-L172 HydrophobicContact CG-CD2 3.67Å; P122-L172 HydrophobicContact CB-CD1 3.87Å; V168-L172 WeakPolarHBondContact O-CB 3.36Å; V168-L172 PolarHBondContact O-N 3.06Å; V168-L172 VanDerWaalsContact O-N 3.12Å; F170-L172 PolarHBondContact O-N 3.06Å; L172-R174 VanDerWaalsContact C-N 3.27Å; L172-R174 PolarHBondContact O-N 2.67Å; L172-E175 WeakPolarHBondContact O-CB 3.31Å; L172-E175 PolarHBondContact O-N 2.79Å; L172-I176 HydrophobicContact CG-CD1 4.18Å; L172-I176 WeakPolarHBondContact O-CG1 3.32Å; L172-I176 PolarHBondContact O-N 2.96Å
173	M	98.4	Very high	96.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.3	-36.7	174.3	-75.5	-171.9	-70.5	0	0	112.2	H15 V55 L57 V62 I64 F169 F170 D171 I176 R177	H15-M173 HydrophobicContact CB-CG 4.04Å; H15-M173 HydrophobicContact CB-SD 4.49Å; V55-M173 HydrophobicContact CG2-CE 3.94Å; V55-M173 HydrophobicContact CG2-SD 4.04Å; L57-M173 HydrophobicContact CD1-CB 4.22Å; L57-M173 HydrophobicContact CD2-CB 3.87Å; V62-M173 HydrophobicContact CG2-SD 4.37Å; I64-M173 HydrophobicContact CB-SD 3.8Å; I64-M173 HydrophobicContact CD1-CE 4.3Å; I64-M173 HydrophobicContact CD1-CG 4.09Å; I64-M173 HydrophobicContact CD1-SD 3.83Å; I64-M173 HydrophobicContact CG1-CG 4.45Å; I64-M173 HydrophobicContact CG1-SD 4.04Å; F169-M173 WeakPolarHBondContact O-CG 3.28Å; F169-M173 PolarHBondContact O-N 3.3Å; F170-M173 HydrophobicContact CB-CE 4.4Å; F170-M173 HydrophobicContact CD1-CE 3.62Å; F170-M173 HydrophobicContact CD2-CE 4.48Å; F170-M173 HydrophobicContact CE1-CE 3.92Å; F170-M173 HydrophobicContact CG-CE 3.92Å; F170-M173 HydrophobicContact CZ-CE 4.48Å; F170-M173 PolarHBondContact O-N 2.96Å; D171-M173 PolarHBondContact O-N 3.23Å; M173-I176 PolarHBondContact O-N 3.32Å; M173-R177 VanDerWaalsContact O-CB 3.31Å; M173-R177 WeakPolarHBondContact O-CB 3.26Å; M173-R177 PolarHBondContact O-N 3.12Å
174	R	98.2	Very high	95.9	Very high	81 Å²	81	44.1 Å²	44.1	31%	0.306	22%	0.219	S	C	.	.	H	α-helix	trans	-63.8	-41.3	174.1	-67.9	175.7	-175.7	111.4	5	112.1	L57 D58 F170 D171 L172 R177 T178	L57-R174 HydrophobicContact CD1-CG 3.89Å; D58-R174 IonicContact OD1-CZ 2.84Å; D58-R174 IonicContact OD1-NE 3.93Å; D58-R174 PolarHBondContact OD1-NE 3.44Å; D58-R174 VanDerWaalsContact OD1-NE 3.11Å; D58-R174 IonicContact OD1-NH2 3.21Å; D58-R174 PolarHBondContact OD1-NH2 3.19Å; D58-R174 IonicContact OD2-NE 2.89Å; D58-R174 PolarHBondContact OD2-NE 3.07Å; F170-R174 WeakPolarHBondContact O-CG 3.01Å; F170-R174 PolarHBondContact O-N 2.84Å; D171-R174 WeakPolarHBondContact O-CB 3.48Å; D171-R174 PolarHBondContact O-N 3.34Å; D171-R174 IonicContact OD1-CZ 3.24Å; D171-R174 IonicContact OD1-NH1 2.71Å; D171-R174 PolarHBondContact OD1-NH1 3.32Å; L172-R174 VanDerWaalsContact C-N 3.27Å; L172-R174 PolarHBondContact O-N 2.67Å; R174-R177 PolarHBondContact O-N 3.11Å; R174-T178 WeakPolarHBondContact O-CB 3.09Å; R174-T178 PolarHBondContact O-N 3.08Å; R174-T178 PolarHBondContact O-OG1 3.1Å
175	E	97.5	Very high	95	Very high	45 Å²	45	48 Å²	48	21%	0.21	23%	0.232	C	C	.	.	H	α-helix	trans	-63.7	-45.7	174.7	-71.6	-68.4	160.1	0	0	111.5	K120 P122 D171 L172 R177 T178 K179	K120-E175 WeakPolarHBondContact CE-OE2 3.17Å; K120-E175 IonicContact NZ-OE2 2.93Å; K120-E175 PolarHBondContact NZ-OE2 3.24Å; P122-E175 HydrophobicContact CB-CB 3.87Å; D171-E175 PolarHBondContact O-N 3.08Å; D171-E175 VanDerWaalsContact O-N 3.07Å; L172-E175 WeakPolarHBondContact O-CB 3.31Å; L172-E175 PolarHBondContact O-N 2.79Å; E175-R177 PolarHBondContact O-N 3.04Å; E175-T178 PolarHBondContact O-N 3.09Å; E175-K179 PolarHBondContact O-N 2.9Å
176	I	97.6	Very high	94	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-58.8	-48.5	175.1	-64.8	168.1	0	0	0	110.5	H15 V17 E87 P122 L172 M173 T178 K179 K180	H15-I176 HydrophobicContact CB-CD1 4.31Å; H15-I176 HydrophobicContact CB-CG2 4.49Å; H15-I176 WeakPolarHBondContact ND1-CG2 3.13Å; V17-I176 HydrophobicContact CG2-CD1 3.95Å; E87-I176 HydrophobicContact CB-CD1 4.26Å; E87-I176 HydrophobicContact CB-CG1 4.36Å; E87-I176 HydrophobicContact CB-CG2 3.85Å; P122-I176 HydrophobicContact CB-CG1 3.82Å; P122-I176 HydrophobicContact CG-CG1 4.02Å; L172-I176 HydrophobicContact CG-CD1 4.18Å; L172-I176 WeakPolarHBondContact O-CG1 3.32Å; L172-I176 PolarHBondContact O-N 2.96Å; M173-I176 PolarHBondContact O-N 3.32Å; I176-T178 VanDerWaalsContact C-N 3.34Å; I176-T178 PolarHBondContact O-N 3.41Å; I176-K179 PolarHBondContact O-N 3.21Å; I176-K180 HydrophobicContact CG2-CD 4.21Å; I176-K180 HydrophobicContact CG2-CG 4.46Å; I176-K180 WeakPolarHBondContact O-CG 3.49Å; I176-K180 PolarHBondContact O-N 2.93Å
177	R	96.5	Very high	92.9	Very high	50 Å²	50	55.7 Å²	55.7	19%	0.189	27%	0.267	C	S	.	.	H	α-helix	trans	-59	-45.7	178.8	-175.9	179.3	70.1	-171.8	-7.5	111.3	D58 M173 R174 E175 K179 K180 M181	D58-R177 IonicContact OD2-CZ 3.44Å; D58-R177 IonicContact OD2-NH1 3.44Å; D58-R177 PolarHBondContact OD2-NH1 2.87Å; D58-R177 IonicContact OD2-NH2 2.69Å; D58-R177 PolarHBondContact OD2-NH2 2.89Å; M173-R177 VanDerWaalsContact O-CB 3.31Å; M173-R177 WeakPolarHBondContact O-CB 3.26Å; M173-R177 PolarHBondContact O-N 3.12Å; R174-R177 PolarHBondContact O-N 3.11Å; E175-R177 PolarHBondContact O-N 3.04Å; R177-K179 PolarHBondContact O-N 2.92Å; R177-K180 PolarHBondContact O-N 3.42Å; R177-M181 HydrophobicContact CG-CE 3.57Å; R177-M181 HydrophobicContact CG-SD 4.37Å; R177-M181 WeakPolarHBondContact O-CG 3.4Å; R177-M181 PolarHBondContact O-N 2.86Å
178	T	95.6	Very high	91.6	Very high	77 Å²	77	57.2 Å²	57.2	47%	0.472	28%	0.279	S	S	.	.	H	α-helix	trans	-60.3	-45.4	179.3	-61.5	0	0	0	0	111.5	R174 E175 I176 M181 S182	R174-T178 WeakPolarHBondContact O-CB 3.09Å; R174-T178 PolarHBondContact O-N 3.08Å; R174-T178 PolarHBondContact O-OG1 3.1Å; E175-T178 PolarHBondContact O-N 3.09Å; I176-T178 VanDerWaalsContact C-N 3.34Å; I176-T178 PolarHBondContact O-N 3.41Å; T178-M181 PolarHBondContact O-N 2.97Å; T178-S182 PolarHBondContact O-N 3.23Å; T178-S182 VanDerWaalsContact O-N 3.12Å
179	K	94.8	Very high	89.9	Confident	17 Å²	17	59.2 Å²	59.2	7%	0.074	30%	0.3	C	S	.	.	H	α-helix	trans	-61.6	-46.7	174.8	175.2	-177.1	170.2	-168.8	0	112.8	E118 K120 P122 E175 I176 R177 M181 S182 E183	E118-K179 IonicContact OE1-NZ 2.95Å; E118-K179 IonicContact OE2-NZ 3.55Å; E118-K179 PolarHBondContact OE2-NZ 3.33Å; K120-K179 WeakPolarHBondContact O-CD 3.38Å; K120-K179 WeakPolarHBondContact O-CE 3.31Å; K120-K179 PolarHBondContact O-NZ 2.95Å; P122-K179 HydrophobicContact CG-CB 4.3Å; P122-K179 HydrophobicContact CG-CD 3.76Å; E175-K179 PolarHBondContact O-N 2.9Å; I176-K179 PolarHBondContact O-N 3.21Å; R177-K179 PolarHBondContact O-N 2.92Å; K179-M181 PolarHBondContact O-N 3.08Å; K179-S182 PolarHBondContact O-N 2.81Å; K179-S182 VanDerWaalsContact O-N 3.13Å; K179-S182 PolarHBondContact O-OG 3.44Å; K179-E183 WeakPolarHBondContact CE-OE1 3.39Å; K179-E183 PolarHBondContact O-N 3.27Å; K179-E183 VanDerWaalsContact O-N 3.07Å
180	K	93.4	Very high	88.1	Confident	55 Å²	55	67.1 Å²	67.1	24%	0.239	33%	0.334	C	S	.	.	H	α-helix	trans	-59.1	-36.4	177.4	-73.2	-176.6	178.5	-166.2	0	111.9	L14 E87 I176 R177 N184	L14-K180 PolarHBondContact O-NZ 3.32Å; E87-K180 WeakPolarHBondContact OE1-CE 3.48Å; E87-K180 IonicContact OE1-NZ 2.73Å; E87-K180 PolarHBondContact OE1-NZ 3.49Å; E87-K180 VanDerWaalsContact OE2-CE 3.23Å; E87-K180 WeakPolarHBondContact OE2-CE 3.29Å; E87-K180 IonicContact OE2-NZ 3.44Å; E87-K180 PolarHBondContact OE2-NZ 2.52Å; I176-K180 HydrophobicContact CG2-CD 4.21Å; I176-K180 HydrophobicContact CG2-CG 4.46Å; I176-K180 WeakPolarHBondContact O-CG 3.49Å; I176-K180 PolarHBondContact O-N 2.93Å; R177-K180 PolarHBondContact O-N 3.42Å; K180-N184 PolarHBondContact O-N 2.9Å; K180-N184 PolarHBondContact O-ND2 3.48Å
181	M	91.3	Very high	86.2	Confident	100 Å²	100	73 Å²	73	49%	0.493	36%	0.36	S	S	.	.	H	α-helix	trans	-68	-38.3	176.3	-71.3	177.8	-177.7	0	0	112.7	R177 T178 K179 K185	R177-M181 HydrophobicContact CG-CE 3.57Å; R177-M181 HydrophobicContact CG-SD 4.37Å; R177-M181 WeakPolarHBondContact O-CG 3.4Å; R177-M181 PolarHBondContact O-N 2.86Å; T178-M181 PolarHBondContact O-N 2.97Å; K179-M181 PolarHBondContact O-N 3.08Å; M181-K185 WeakPolarHBondContact O-CG 3.26Å; M181-K185 PolarHBondContact O-N 3.33Å
182	S	90.6	Very high	84.2	Confident	58 Å²	58	76 Å²	76	41%	0.406	38%	0.383	S	S	.	.	H	α-helix	trans	-67.1	-45.4	176.2	55.6	0	0	0	0	111.8	T178 K179 N184 K185 D186	T178-S182 PolarHBondContact O-N 3.23Å; T178-S182 VanDerWaalsContact O-N 3.12Å; K179-S182 PolarHBondContact O-N 2.81Å; K179-S182 VanDerWaalsContact O-N 3.13Å; K179-S182 PolarHBondContact O-OG 3.44Å; S182-N184 VanDerWaalsContact C-N 3.28Å; S182-N184 PolarHBondContact O-N 3.36Å; S182-K185 WeakPolarHBondContact O-CB 3.34Å; S182-K185 PolarHBondContact O-N 3.38Å; S182-K185 VanDerWaalsContact O-N 3.09Å; S182-D186 PolarHBondContact O-N 3.28Å; S182-D186 VanDerWaalsContact O-N 3.12Å
183	E	87.8	Confident	82	Confident	70 Å²	70	78.8 Å²	78.8	33%	0.327	41%	0.411	S	S	.	.	H	α-helix	trans	-61.1	-35.6	178.7	-69.3	176.4	-172	0	0	113.2	K179 D186 K187	K179-E183 WeakPolarHBondContact CE-OE1 3.39Å; K179-E183 PolarHBondContact O-N 3.27Å; K179-E183 VanDerWaalsContact O-N 3.07Å; E183-D186 PolarHBondContact O-N 3.33Å; E183-K187 VanDerWaalsContact O-CG 3.32Å; E183-K187 WeakPolarHBondContact O-CG 3.41Å; E183-K187 PolarHBondContact O-N 3.39Å; E183-K187 VanDerWaalsContact O-N 3.13Å
184	N	83.9	Confident	79.9	Confident	93 Å²	93	87.5 Å²	87.5	50%	0.497	45%	0.449	S	S	.	.	H	α-helix	trans	-70.2	-34.4	176.9	-77.2	-23.2	0	0	0	112.4	K180 S182 N188	K180-N184 PolarHBondContact O-N 2.9Å; K180-N184 PolarHBondContact O-ND2 3.48Å; S182-N184 VanDerWaalsContact C-N 3.28Å; S182-N184 PolarHBondContact O-N 3.36Å; N184-N188 PolarHBondContact O-N 3.21Å
185	K	81.7	Confident	77.7	Confident	158 Å²	158	91.1 Å²	91.1	69%	0.687	48%	0.475	S	S	*	.	H	α-helix	trans	-65.8	-42.2	174.2	-73.9	177.6	179.8	178.5	0	111.1	M181 S182 K187 N188 G189	M181-K185 WeakPolarHBondContact O-CG 3.26Å; M181-K185 PolarHBondContact O-N 3.33Å; S182-K185 WeakPolarHBondContact O-CB 3.34Å; S182-K185 PolarHBondContact O-N 3.38Å; S182-K185 VanDerWaalsContact O-N 3.09Å; K185-K187 PolarHBondContact O-N 2.68Å; K185-N188 PolarHBondContact O-N 3.2Å; K185-G189 PolarHBondContact O-N 2.75Å
186	D	77.3	Confident	75.5	Confident	94 Å²	94	98.3 Å²	98.3	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-66.4	-38.3	179.3	-65.6	-30.1	0	0	0	112.7	S182 E183 G189 K190	S182-D186 PolarHBondContact O-N 3.28Å; S182-D186 VanDerWaalsContact O-N 3.12Å; E183-D186 PolarHBondContact O-N 3.33Å; D186-G189 PolarHBondContact O-N 3.08Å; D186-K190 WeakPolarHBondContact O-CG 3.48Å; D186-K190 PolarHBondContact O-N 3.17Å
187	K	75.5	Confident	73.2	Confident	123 Å²	123	107.9 Å²	107.9	54%	0.535	55%	0.547	S	S	.	.	H	α-helix	trans	-64.2	-39.1	174.6	-73.6	170.4	-175.4	165.9	0	112.1	E183 K185 K191	E183-K187 VanDerWaalsContact O-CG 3.32Å; E183-K187 WeakPolarHBondContact O-CG 3.41Å; E183-K187 PolarHBondContact O-N 3.39Å; E183-K187 VanDerWaalsContact O-N 3.13Å; K185-K187 PolarHBondContact O-N 2.68Å; K187-K191 PolarHBondContact O-N 2.62Å
188	N	69.7	Low	70.8	Confident	113 Å²	113	111 Å²	111	60%	0.604	58%	0.576	S	S	*	*	H	α-helix	trans	-74.5	-36.9	177.6	-79.4	-13.2	0	0	0	112.7	N184 K185 K191 S192	N184-N188 PolarHBondContact O-N 3.21Å; K185-N188 PolarHBondContact O-N 3.2Å; N188-K191 PolarHBondContact O-N 3.1Å; N188-S192 PolarHBondContact O-N 3.5Å
189	G	64.5	Low	68.5	Low	42 Å²	42	117.2 Å²	117.2	43%	0.433	60%	0.597	S	S	.	*	H	α-helix	trans	-64.6	-37.6	174.7	0	0	0	0	0	113.4	K185 D186 K191 S192 G193	K185-G189 PolarHBondContact O-N 2.75Å; D186-G189 PolarHBondContact O-N 3.08Å; G189-K191 VanDerWaalsContact C-N 3.34Å; G189-K191 PolarHBondContact O-N 2.86Å; G189-S192 PolarHBondContact O-N 3.02Å; G189-S192 PolarHBondContact O-OG 3.3Å; G189-G193 PolarHBondContact O-N 3.3Å
190	K	61	Low	66.6	Low	165 Å²	165	125.1 Å²	125.1	72%	0.717	63%	0.632	S	S	*	*	H	α-helix	trans	-69.1	-28.8	175.4	-76.1	176.2	-179.5	169.8	0	113.2	D186	D186-K190 WeakPolarHBondContact O-CG 3.48Å; D186-K190 PolarHBondContact O-N 3.17Å
191	K	58.4	Low	64.7	Low	164 Å²	164	130 Å²	130	71%	0.713	66%	0.655	S	S	*	*	H	α-helix	trans	-74.8	-34.3	176.3	-78.1	-177.4	178.6	177.3	0	112.9	K187 N188 G189	K187-K191 PolarHBondContact O-N 2.62Å; N188-K191 PolarHBondContact O-N 3.1Å; G189-K191 VanDerWaalsContact C-N 3.34Å; G189-K191 PolarHBondContact O-N 2.86Å
192	S	56.5	Low	62.5	Low	88 Å²	88	137.3 Å²	137.3	62%	0.615	68%	0.677	S	S	*	*	H	α-helix	trans	-75.5	-24.4	178.5	57.6	0	0	0	0	113.6	N188 G189	N188-S192 PolarHBondContact O-N 3.5Å; G189-S192 PolarHBondContact O-N 3.02Å; G189-S192 PolarHBondContact O-OG 3.3Å
193	G	52.8	Low	60.4	Low	59 Å²	59	140.7 Å²	140.7	61%	0.608	70%	0.699	S	S	*	*	H	α-helix	trans	-76.8	-19.2	178	0	0	0	0	0	116.1	G189	G189-G193 PolarHBondContact O-N 3.3Å
194	K	53.6	Low	58.4	Low	184 Å²	184	143 Å²	143	80%	0.8	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-10.4	-177.3	-85.7	-176.5	175.5	177	0	115.1
195	N	51.3	Low	56.7	Low	156 Å²	156	146.5 Å²	146.5	83%	0.834	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	17	-177.3	-94.2	6.3	0	0	0	115.6
196	K	51.9	Low	55.1	Low	196 Å²	196	150.7 Å²	150.7	85%	0.852	77%	0.768	S	S	*	*	S	Bend	trans	-119.1	17.1	-177.2	-98.2	-176.2	177.7	178.3	0	116.7
197	K	48.8	Very low	54	Low	204 Å²	204	153.6 Å²	153.6	89%	0.887	78%	0.782	S	S	*	*	S	Bend	trans	-128.2	90.6	173.9	-80.1	-174.6	175.8	179	0	111.6
198	S	46.9	Very low	52.9	Low	115 Å²	115	155.2 Å²	155.2	80%	0.804	80%	0.795	S	S	*	*			trans	158.6	78.3	149.9	171.4	0	0	0	0	111.1
199	F	48	Very low	52	Low	207 Å²	207	157.5 Å²	157.5	91%	0.908	81%	0.805	S	S	*	*			trans	-159.3	89.3	149.4	-143.8	-99.1	0	0	0	107.8
200	K	54.6	Low	51.2	Low	184 Å²	184	164.3 Å²	164.3	80%	0.8	83%	0.827	S	S	*	*			trans	-129.9	100.7	167.9	-138.9	-178.2	179.9	-173	0	108.8
201	E	53.7	Low	50.6	Low	156 Å²	156	164.3 Å²	164.3	73%	0.729	83%	0.834	S	S	*	*			trans	59.1	94.1	145.9	-67.7	163.1	160.4	0	0	118.1
202	R	45.3	Very low	50.1	Low	255 Å²	255	164.3 Å²	164.3	96%	0.962	84%	0.842	S	S	*	*			trans	-99.6	116.3	134.7	-75.3	-175.5	-167.1	-172.2	3.2	107.8
203	C	45.6	Very low	49.7	Very low	128 Å²	128	169.7 Å²	169.7	87%	0.865	86%	0.858	S	S	*	*			trans	-134	118.4	157.3	-120.1	0	0	0	0	107.8
204	C	46.1	Very low	49.4	Very low	120 Å²	120	178.2 Å²	178.2	81%	0.811	88%	0.878	S	S	*	*			trans	-60.2	155.6	167.7	-63.9	0	0	0	0	110.9
205	L	48.2	Very low	49.1	Very low	166 Å²	166	177.8 Å²	177.8	87%	0.869	88%	0.884	S	S	*	*				-173.8	122.6	125.6	-96.4	151.3	0	0	0	109.9
206	L	48.6	Very low	48.9	Very low	246 Å²	246	179.7 Å²	179.7	100%	1.288	89%	0.889	S	S	*	*			trans	73	0	171.4	-62.5	168.1	0	0	0	118.5

Retrieved 206 of 206 residues in 406.1 ms (Link to these results)

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