A0A3Q7UA70_VULVU Loading...

Proteasome subunit alpha type

Component of the 20S core proteasome complex involved in the proteolytic degradation of most intracellular proteins. This complex plays numerous essential roles within the cell by associating with different regulatory particles. Associated with two 19S regulatory particles, forms the 26S proteasome and thus participates in the ATP-dependent degradation of ubiquitinated proteins. The 26S proteasome plays a key role in the maintenance of protein homeostasis by removing misfolded or damaged proteins that could impair cellular functions, and by removing proteins whose functions are no longer required. Associated with the PA200 or PA28, the 20S proteasome mediates ubiquitin-independent protein degradation. This type of proteolysis is required in several pathways including spermatogenesis (20S-PA200 complex) or generation of a subset of MHC class I-presented antigenic peptides (20S-PA28 complex).

AlphaFold DB , UniProt , Accession A0A3Q7UA70, Species VULVU (Vulpes vulpes, Red fox), Gene PSMA6, Length 246 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	51.3	Low	82.2	Confident	204 Å²	204	88.1 Å²	88.1	100%	1.005	50%	0.497	S	S	*	.				0	118.7	0	-75	-150.1	-78.1	0	0	108.4	R3	M1-R3 HydrophobicContact CB-CG 4.48Å; M1-R3 PolarHBondContact O-N 3.31Å
2	S	59.9	Low	83.3	Confident	63 Å²	63	91.9 Å²	91.9	44%	0.441	51%	0.507	S	S	.	.			trans	-75.9	45.7	-172.5	47.4	0	0	0	0	113.7	G4 S5 E19	S2-G4 PolarHBondContact O-N 3.47Å; S2-S5 WeakPolarHBondContact CB-OG 3.35Å; S2-S5 PolarHBondContact O-N 3.11Å; S2-S5 PolarHBondContact O-OG 3.21Å; S2-E19 WeakPolarHBondContact O-CG 3.36Å
3	R	75	Confident	84.3	Confident	204 Å²	204	89.6 Å²	89.6	77%	0.77	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	107.8	-173	-72.6	-175	174.4	180	-1.9	111.9	M1 S5	M1-R3 HydrophobicContact CB-CG 4.48Å; M1-R3 PolarHBondContact O-N 3.31Å; R3-S5 VanDerWaalsContact C-N 3.29Å; R3-S5 PolarHBondContact O-N 2.8Å
4	G	74.3	Confident	85.1	Confident	37 Å²	37	84.2 Å²	84.2	38%	0.381	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	16.7	175.5	0	0	0	0	0	115.1	S2 R11 E19	S2-G4 PolarHBondContact O-N 3.47Å; G4-R11 PolarHBondContact O-NH2 3.46Å; G4-E19 WeakPolarHBondContact CA-OE1 3.41Å; G4-E19 VanDerWaalsContact N-CD 3.33Å; G4-E19 PolarHBondContact N-OE1 2.88Å; G4-E19 PolarHBondContact N-OE2 3.38Å
5	S	84.3	Confident	85.9	Confident	40 Å²	40	83.3 Å²	83.3	28%	0.28	46%	0.456	S	S	.	.			trans	-66.9	144.1	179.4	58.2	0	0	0	0	111.4	S2 R3 Y23	S2-S5 WeakPolarHBondContact CB-OG 3.35Å; S2-S5 PolarHBondContact O-N 3.11Å; S2-S5 PolarHBondContact O-OG 3.21Å; R3-S5 VanDerWaalsContact C-N 3.29Å; R3-S5 PolarHBondContact O-N 2.8Å; S5-Y23 PolarHBondContact O-OH 2.69Å
6	S	90.8	Very high	86.6	Confident	61 Å²	61	87.2 Å²	87.2	43%	0.427	47%	0.468	S	S	.	.			trans	-124.5	141.6	178	177.9	0	0	0	0	109	D10 R11	S6-D10 VanDerWaalsContact CA-OD2 3.29Å; S6-D10 WeakPolarHBondContact CA-OD2 3.29Å; S6-D10 PolarHBondContact OG-OD1 2.85Å; S6-R11 PolarHBondContact OG-NE 3.37Å
7	A	90.9	Very high	87.2	Confident	54 Å²	54	82.5 Å²	82.5	45%	0.446	44%	0.444	S	S	.	.			trans	-137	133.9	177.4	0	0	0	0	0	110.7	F9 D10 P18	A7-F9 PolarHBondContact O-N 2.67Å; A7-D10 PolarHBondContact N-OD2 3.45Å; A7-D10 VanDerWaalsContact O-CG 3.24Å; A7-D10 PolarHBondContact O-N 2.87Å; A7-P18 HydrophobicContact CB-CG 3.79Å
8	G	93.9	Very high	87.7	Confident	72 Å²	72	82.1 Å²	82.1	74%	0.742	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	-122.7	178.2	0	0	0	0	0	112.8
9	F	95.1	Very high	88	Confident	142 Å²	142	81.4 Å²	81.4	62%	0.623	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	18.5	-174.7	-61.4	-73.4	0	0	0	114	A7 R11 H12 I13 I15	A7-F9 PolarHBondContact O-N 2.67Å; F9-R11 PolarHBondContact O-N 3.19Å; F9-H12 PolarHBondContact O-N 3.47Å; F9-I13 HydrophobicContact CB-CD1 4.33Å; F9-I13 HydrophobicContact CB-CG1 4.12Å; F9-I13 PolarHBondContact O-N 3Å; F9-I13 VanDerWaalsContact O-N 3.16Å; F9-I15 HydrophobicContact CB-CD1 4.46Å
10	D	94.3	Very high	88.3	Confident	1 Å²	1	79.9 Å²	79.9	1%	0.005	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.9	-175.4	67	1.6	0	0	0	115.6	S6 A7 I15 S17 P18	S6-D10 VanDerWaalsContact CA-OD2 3.29Å; S6-D10 WeakPolarHBondContact CA-OD2 3.29Å; S6-D10 PolarHBondContact OG-OD1 2.85Å; A7-D10 PolarHBondContact N-OD2 3.45Å; A7-D10 VanDerWaalsContact O-CG 3.24Å; A7-D10 PolarHBondContact O-N 2.87Å; D10-I15 HydrophobicContact CB-CD1 4.41Å; D10-I15 HydrophobicContact CB-CG1 4.06Å; D10-S17 WeakPolarHBondContact OD2-CA 3.36Å; D10-S17 WeakPolarHBondContact OD2-CB 3.43Å; D10-P18 WeakPolarHBondContact OD2-CD 3.38Å
11	R	94.8	Very high	88.7	Confident	91 Å²	91	80.5 Å²	80.5	34%	0.343	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-12.6	172.2	-69.5	179.6	-177.1	-93	-3.1	114.4	G4 S6 F9 Y23 Q24 Y27	G4-R11 PolarHBondContact O-NH2 3.46Å; S6-R11 PolarHBondContact OG-NE 3.37Å; F9-R11 PolarHBondContact O-N 3.19Å; R11-Y23 HydrophobicContact CG-CD2 3.77Å; R11-Y23 HydrophobicContact CG-CE2 4.27Å; R11-Y23 HydrophobicContact CG-CG 4.31Å; R11-Q24 PolarHBondContact O-NE2 3.03Å; R11-Y27 PolarHBondContact NH1-OH 3.43Å
12	H	95	Very high	90.8	Very high	134 Å²	134	72.7 Å²	72.7	62%	0.62	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-36.2	-172.7	-63.8	87.8	0	0	0	112.7	F9	F9-H12 PolarHBondContact O-N 3.47Å
13	I	96.3	Very high	92.6	Very high	62 Å²	62	70 Å²	70	32%	0.318	38%	0.382	S	S	.	.	S	Bend	trans	-126.4	169	179.9	58.9	171.5	0	0	0	110.6	F9 I15 A129	F9-I13 HydrophobicContact CB-CD1 4.33Å; F9-I13 HydrophobicContact CB-CG1 4.12Å; F9-I13 PolarHBondContact O-N 3Å; F9-I13 VanDerWaalsContact O-N 3.16Å; I13-I15 HydrophobicContact CD1-CD1 4.3Å; I13-I15 HydrophobicContact CD1-CG2 3.88Å; I13-I15 HydrophobicContact CG1-CD1 4.23Å; I13-I15 HydrophobicContact CG1-CG1 4.1Å; I13-I15 HydrophobicContact CG1-CG2 4.06Å; I13-I15 PolarHBondContact O-N 3.08Å; I13-A129 HydrophobicContact CB-CB 4.34Å; I13-A129 HydrophobicContact CD1-CB 4.42Å
14	T	96	Very high	93.7	Very high	14 Å²	14	62.4 Å²	62.4	9%	0.086	36%	0.355	C	S	.	.	S	Bend	trans	-78.6	52.7	-175.1	44.4	0	0	0	0	113.1	Q24 T126 N128 A129	T14-Q24 HydrophobicContact CG2-CB 4Å; T14-T126 WeakPolarHBondContact CB-O 3.36Å; T14-N128 PolarHBondContact OG1-O 3.24Å; T14-A129 WeakPolarHBondContact OG1-CA 3.35Å
15	I	96.9	Very high	94.8	Very high	70 Å²	70	61.3 Å²	61.3	36%	0.359	34%	0.341	S	S	.	.			trans	-107.6	157.7	172.2	66.3	177.4	0	0	0	110.9	F9 D10 I13 L22	F9-I15 HydrophobicContact CB-CD1 4.46Å; D10-I15 HydrophobicContact CB-CD1 4.41Å; D10-I15 HydrophobicContact CB-CG1 4.06Å; I13-I15 HydrophobicContact CD1-CD1 4.3Å; I13-I15 HydrophobicContact CD1-CG2 3.88Å; I13-I15 HydrophobicContact CG1-CD1 4.23Å; I13-I15 HydrophobicContact CG1-CG1 4.1Å; I13-I15 HydrophobicContact CG1-CG2 4.06Å; I13-I15 PolarHBondContact O-N 3.08Å; I15-L22 WeakPolarHBondContact O-CD2 3.21Å
16	F	97.4	Very high	95.4	Very high	146 Å²	146	62.2 Å²	62.2	64%	0.64	34%	0.341	S	S	*	.			trans	-67.1	136.5	178.1	-70.5	-71.1	0	0	0	112.2	L22	F16-L22 HydrophobicContact CD1-CD2 3.9Å; F16-L22 HydrophobicContact CD1-CG 4.31Å; F16-L22 HydrophobicContact CE1-CD2 4.12Å; F16-L22 HydrophobicContact CE1-CG 4.23Å; F16-L22 HydrophobicContact CG-CD2 4.3Å
17	S	96.2	Very high	95.8	Very high	8 Å²	8	62.7 Å²	62.7	6%	0.056	33%	0.334	C	S	.	.			trans	-74.1	167.1	163.5	80.8	0	0	0	0	111.2	D10 E19 G20 R21	D10-S17 WeakPolarHBondContact OD2-CA 3.36Å; D10-S17 WeakPolarHBondContact OD2-CB 3.43Å; S17-E19 PolarHBondContact O-N 3.21Å; S17-E19 PolarHBondContact OG-N 3.15Å; S17-G20 PolarHBondContact O-N 3.49Å; S17-R21 PolarHBondContact N-O 3.17Å; S17-R21 PolarHBondContact OG-N 3.42Å
18	P	95.6	Very high	96.1	Very high	75 Å²	75	60.5 Å²	60.5	49%	0.487	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-17.4	172.7	-25.7	34.8	0	0	0	114.7	A7 D10	A7-P18 HydrophobicContact CB-CG 3.79Å; D10-P18 WeakPolarHBondContact OD2-CD 3.38Å
19	E	93.9	Very high	96.2	Very high	68 Å²	68	61 Å²	61	32%	0.318	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	2.6	176	-62.7	-176.6	-79.9	0	0	113.2	S2 G4 S17 R21	S2-E19 WeakPolarHBondContact O-CG 3.36Å; G4-E19 WeakPolarHBondContact CA-OE1 3.41Å; G4-E19 VanDerWaalsContact N-CD 3.33Å; G4-E19 PolarHBondContact N-OE1 2.88Å; G4-E19 PolarHBondContact N-OE2 3.38Å; S17-E19 PolarHBondContact O-N 3.21Å; S17-E19 PolarHBondContact OG-N 3.15Å; E19-R21 HydrophobicContact CB-CG 4.23Å; E19-R21 IonicContact OE1-NH1 3.79Å
20	G	94.4	Very high	96.3	Very high	51 Å²	51	60.5 Å²	60.5	53%	0.526	30%	0.295	S	S	.	.	S	Bend	trans	75.3	21.7	-176.1	0	0	0	0	0	114	S17	S17-G20 PolarHBondContact O-N 3.49Å
21	R	95.8	Very high	96.5	Very high	93 Å²	93	61 Å²	61	35%	0.351	30%	0.299	S	S	.	.			trans	-99.5	155.4	-179.5	-62.2	169.2	62.4	-178.3	5	111.3	S17 E19 E26	S17-R21 PolarHBondContact N-O 3.17Å; S17-R21 PolarHBondContact OG-N 3.42Å; E19-R21 HydrophobicContact CB-CG 4.23Å; E19-R21 IonicContact OE1-NH1 3.79Å; R21-E26 IonicContact CZ-OE1 3.19Å; R21-E26 IonicContact CZ-OE2 3.67Å; R21-E26 IonicContact NE-OE1 2.74Å; R21-E26 PolarHBondContact NE-OE1 3.45Å; R21-E26 IonicContact NE-OE2 3.95Å; R21-E26 IonicContact NH2-OE1 2.83Å; R21-E26 PolarHBondContact NH2-OE1 2.82Å; R21-E26 IonicContact NH2-OE2 2.69Å; R21-E26 PolarHBondContact NH2-OE2 3.3Å
22	L	97.1	Very high	96.6	Very high	41 Å²	41	57 Å²	57	22%	0.215	29%	0.285	C	S	.	.			trans	-112.3	94.4	172.4	-64.8	178	0	0	0	109.7	I15 F16 Q24 V25 E26	I15-L22 WeakPolarHBondContact O-CD2 3.21Å; F16-L22 HydrophobicContact CD1-CD2 3.9Å; F16-L22 HydrophobicContact CD1-CG 4.31Å; F16-L22 HydrophobicContact CE1-CD2 4.12Å; F16-L22 HydrophobicContact CE1-CG 4.23Å; F16-L22 HydrophobicContact CG-CD2 4.3Å; L22-Q24 VanDerWaalsContact C-N 3.33Å; L22-Q24 PolarHBondContact O-N 3.35Å; L22-V25 HydrophobicContact CB-CB 4.19Å; L22-V25 HydrophobicContact CB-CG2 3.92Å; L22-V25 HydrophobicContact CD1-CG2 4.2Å; L22-V25 PolarHBondContact O-N 3.49Å; L22-V25 VanDerWaalsContact O-N 3.17Å; L22-E26 PolarHBondContact O-N 2.85Å
23	Y	97.2	Very high	96.6	Very high	7 Å²	7	54.1 Å²	54.1	3%	0.027	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-36.1	-174.1	-72	-57.8	0	0	0	113.3	S5 R11 V25 E26 Y27	S5-Y23 PolarHBondContact O-OH 2.69Å; R11-Y23 HydrophobicContact CG-CD2 3.77Å; R11-Y23 HydrophobicContact CG-CE2 4.27Å; R11-Y23 HydrophobicContact CG-CG 4.31Å; Y23-V25 VanDerWaalsContact C-N 3.28Å; Y23-V25 PolarHBondContact O-N 3.44Å; Y23-E26 WeakPolarHBondContact O-CB 3.49Å; Y23-E26 PolarHBondContact O-N 2.64Å; Y23-Y27 WeakPolarHBondContact O-CD1 2.95Å; Y23-Y27 PolarHBondContact O-N 2.93Å
24	Q	97.6	Very high	96.5	Very high	44 Å²	44	58.4 Å²	58.4	21%	0.206	29%	0.292	C	S	.	.	H	α-helix	trans	-61.7	-34.4	177.1	-78.7	-64.7	-43	0	0	112.8	R11 T14 L22 Y27 A28	R11-Q24 PolarHBondContact O-NE2 3.03Å; T14-Q24 HydrophobicContact CG2-CB 4Å; L22-Q24 VanDerWaalsContact C-N 3.33Å; L22-Q24 PolarHBondContact O-N 3.35Å; Q24-Y27 PolarHBondContact O-N 3.23Å; Q24-A28 PolarHBondContact O-N 2.97Å
25	V	97.6	Very high	96.1	Very high	14 Å²	14	59.5 Å²	59.5	9%	0.085	31%	0.306	C	S	.	.	H	α-helix	trans	-70.1	-43.5	174.6	179.1	0	0	0	0	110.6	L22 Y23 Y27 A28 F29 T126 P133 A157	L22-V25 HydrophobicContact CB-CB 4.19Å; L22-V25 HydrophobicContact CB-CG2 3.92Å; L22-V25 HydrophobicContact CD1-CG2 4.2Å; L22-V25 PolarHBondContact O-N 3.49Å; L22-V25 VanDerWaalsContact O-N 3.17Å; Y23-V25 VanDerWaalsContact C-N 3.28Å; Y23-V25 PolarHBondContact O-N 3.44Å; V25-Y27 PolarHBondContact O-N 3.41Å; V25-A28 WeakPolarHBondContact O-CB 3.21Å; V25-A28 PolarHBondContact O-N 2.81Å; V25-A28 VanDerWaalsContact O-N 3.1Å; V25-F29 HydrophobicContact CG1-CD2 4.29Å; V25-F29 HydrophobicContact CG1-CE2 4.02Å; V25-F29 WeakPolarHBondContact O-CD2 3.45Å; V25-F29 PolarHBondContact O-N 3.29Å; V25-F29 VanDerWaalsContact O-N 3.1Å; V25-T126 HydrophobicContact CG2-CG2 3.88Å; V25-P133 HydrophobicContact CG2-CG 4.17Å; V25-A157 HydrophobicContact CG1-CB 3.66Å
26	E	97.3	Very high	96	Very high	58 Å²	58	57.6 Å²	57.6	27%	0.271	31%	0.305	S	S	.	.	H	α-helix	trans	-61	-34.5	174.7	-63.2	-179.7	-170.1	0	0	112.5	R21 L22 Y23 F29 K30	R21-E26 IonicContact CZ-OE1 3.19Å; R21-E26 IonicContact CZ-OE2 3.67Å; R21-E26 IonicContact NE-OE1 2.74Å; R21-E26 PolarHBondContact NE-OE1 3.45Å; R21-E26 IonicContact NE-OE2 3.95Å; R21-E26 IonicContact NH2-OE1 2.83Å; R21-E26 PolarHBondContact NH2-OE1 2.82Å; R21-E26 IonicContact NH2-OE2 2.69Å; R21-E26 PolarHBondContact NH2-OE2 3.3Å; L22-E26 PolarHBondContact O-N 2.85Å; Y23-E26 WeakPolarHBondContact O-CB 3.49Å; Y23-E26 PolarHBondContact O-N 2.64Å; E26-F29 PolarHBondContact O-N 2.99Å; E26-K30 PolarHBondContact O-N 2.87Å
27	Y	97.8	Very high	96	Very high	72 Å²	72	51.3 Å²	51.3	28%	0.282	28%	0.277	S	S	.	.	H	α-helix	trans	-70.1	-36.6	175.3	-60.8	-10.7	0	0	0	111.3	R11 Y23 Q24 V25 F29 K30 A31	R11-Y27 PolarHBondContact NH1-OH 3.43Å; Y23-Y27 WeakPolarHBondContact O-CD1 2.95Å; Y23-Y27 PolarHBondContact O-N 2.93Å; Q24-Y27 PolarHBondContact O-N 3.23Å; V25-Y27 PolarHBondContact O-N 3.41Å; Y27-F29 VanDerWaalsContact C-N 3.31Å; Y27-F29 PolarHBondContact O-N 3.13Å; Y27-K30 WeakPolarHBondContact O-CB 3.4Å; Y27-K30 PolarHBondContact O-N 3.08Å; Y27-K30 VanDerWaalsContact O-N 3.08Å; Y27-A31 PolarHBondContact O-N 3.05Å
28	A	97.6	Very high	96.1	Very high	8 Å²	8	51 Å²	51	7%	0.066	28%	0.275	C	S	.	.	H	α-helix	trans	-62	-37.3	173	0	0	0	0	0	112.3	Q24 V25 K30 A31 I32 P133 P156	Q24-A28 PolarHBondContact O-N 2.97Å; V25-A28 WeakPolarHBondContact O-CB 3.21Å; V25-A28 PolarHBondContact O-N 2.81Å; V25-A28 VanDerWaalsContact O-N 3.1Å; A28-K30 VanDerWaalsContact C-N 3.31Å; A28-K30 PolarHBondContact O-N 2.98Å; A28-A31 WeakPolarHBondContact O-CB 3.47Å; A28-A31 PolarHBondContact O-N 2.87Å; A28-A31 VanDerWaalsContact O-N 3.12Å; A28-I32 PolarHBondContact O-N 2.76Å; A28-P133 HydrophobicContact CB-CB 4.02Å; A28-P156 HydrophobicContact CB-CB 3.79Å; A28-P156 HydrophobicContact CB-CG 4.26Å
29	F	97.1	Very high	96.3	Very high	81 Å²	81	47.4 Å²	47.4	36%	0.355	25%	0.252	S	S	.	.	H	α-helix	trans	-61.5	-38.9	171.3	-82.8	-78.1	0	0	0	112.7	V25 E26 Y27 A31 I32 D155 A157	V25-F29 HydrophobicContact CG1-CD2 4.29Å; V25-F29 HydrophobicContact CG1-CE2 4.02Å; V25-F29 WeakPolarHBondContact O-CD2 3.45Å; V25-F29 PolarHBondContact O-N 3.29Å; V25-F29 VanDerWaalsContact O-N 3.1Å; E26-F29 PolarHBondContact O-N 2.99Å; Y27-F29 VanDerWaalsContact C-N 3.31Å; Y27-F29 PolarHBondContact O-N 3.13Å; F29-A31 VanDerWaalsContact C-N 3.3Å; F29-I32 HydrophobicContact CD1-CD1 4.12Å; F29-I32 WeakPolarHBondContact O-CB 3.36Å; F29-I32 PolarHBondContact O-N 3.1Å; F29-D155 HydrophobicContact CE1-CB 3.76Å; F29-D155 HydrophobicContact CZ-CB 3.81Å; F29-A157 HydrophobicContact CE2-CB 4.07Å; F29-A157 HydrophobicContact CZ-CB 4.3Å
30	K	96.9	Very high	96.5	Very high	132 Å²	132	44.2 Å²	44.2	57%	0.574	24%	0.237	S	C	*	.	H	α-helix	trans	-67.8	-32.2	174	-65	177.9	-177.4	179.4	0	112	E26 Y27 A28 I32 N33	E26-K30 PolarHBondContact O-N 2.87Å; Y27-K30 WeakPolarHBondContact O-CB 3.4Å; Y27-K30 PolarHBondContact O-N 3.08Å; Y27-K30 VanDerWaalsContact O-N 3.08Å; A28-K30 VanDerWaalsContact C-N 3.31Å; A28-K30 PolarHBondContact O-N 2.98Å; K30-I32 VanDerWaalsContact C-N 3.27Å; K30-I32 PolarHBondContact O-N 3.29Å; K30-N33 PolarHBondContact O-N 3.1Å; K30-N33 VanDerWaalsContact O-N 3.12Å
31	A	97.3	Very high	96.7	Very high	12 Å²	12	41.8 Å²	41.8	10%	0.099	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-31.5	176.9	0	0	0	0	0	112.5	Y27 A28 F29 N33 Q34 M83	Y27-A31 PolarHBondContact O-N 3.05Å; A28-A31 WeakPolarHBondContact O-CB 3.47Å; A28-A31 PolarHBondContact O-N 2.87Å; A28-A31 VanDerWaalsContact O-N 3.12Å; F29-A31 VanDerWaalsContact C-N 3.3Å; A31-N33 PolarHBondContact O-N 3.5Å; A31-Q34 WeakPolarHBondContact O-CB 3.39Å; A31-Q34 PolarHBondContact O-N 3.31Å; A31-Q34 VanDerWaalsContact O-N 3.07Å; A31-M83 HydrophobicContact CB-CG 4.47Å; A31-M83 HydrophobicContact CB-SD 4.1Å
32	I	97.5	Very high	96.8	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.041	20%	0.195	C	C	.	.	H	α-helix	trans	-55.6	-38.3	172.9	-64.9	165.1	0	0	0	110.9	A28 F29 K30 Q34 T81 G82 C137 P156	A28-I32 PolarHBondContact O-N 2.76Å; F29-I32 HydrophobicContact CD1-CD1 4.12Å; F29-I32 WeakPolarHBondContact O-CB 3.36Å; F29-I32 PolarHBondContact O-N 3.1Å; K30-I32 VanDerWaalsContact C-N 3.27Å; K30-I32 PolarHBondContact O-N 3.29Å; I32-Q34 VanDerWaalsContact C-N 3.31Å; I32-Q34 PolarHBondContact O-N 3.31Å; I32-T81 HydrophobicContact CG2-CG2 4.12Å; I32-G82 WeakPolarHBondContact O-CA 3.4Å; I32-C137 HydrophobicContact CD1-CB 3.77Å; I32-C137 HydrophobicContact CG1-CB 4.3Å; I32-C137 HydrophobicContact CG2-CB 4.43Å; I32-P156 HydrophobicContact CD1-CG 3.81Å; I32-P156 HydrophobicContact CG1-CG 4.38Å
33	N	96.3	Very high	96.9	Very high	72 Å²	72	39.1 Å²	39.1	39%	0.385	20%	0.199	S	C	.	.	H	α-helix	trans	-77.2	-15.6	-177.2	-63.8	-23.6	0	0	0	113.4	K30 A31 G35 G36 G169 V170	K30-N33 PolarHBondContact O-N 3.1Å; K30-N33 VanDerWaalsContact O-N 3.12Å; A31-N33 PolarHBondContact O-N 3.5Å; N33-G35 PolarHBondContact O-N 3.29Å; N33-G36 PolarHBondContact O-N 2.81Å; N33-G36 VanDerWaalsContact O-N 3.12Å; N33-G169 PolarHBondContact OD1-O 3.09Å; N33-V170 HydrophobicContact CB-CG2 4.21Å; N33-V170 WeakPolarHBondContact O-CG2 3.34Å; N33-V170 PolarHBondContact OD1-N 3.1Å
34	Q	92.9	Very high	96.8	Very high	152 Å²	152	39.3 Å²	39.3	71%	0.71	20%	0.203	S	C	*	.	H	α-helix	trans	-64.9	-26.8	178.2	-67.9	178.9	-0.6	0	0	112.5	A31 I32 G36	A31-Q34 WeakPolarHBondContact O-CB 3.39Å; A31-Q34 PolarHBondContact O-N 3.31Å; A31-Q34 VanDerWaalsContact O-N 3.07Å; I32-Q34 VanDerWaalsContact C-N 3.31Å; I32-Q34 PolarHBondContact O-N 3.31Å; Q34-G36 PolarHBondContact O-N 3.41Å
35	G	88.1	Confident	96.7	Very high	37 Å²	37	42.6 Å²	42.6	38%	0.381	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-18	175.7	0	0	0	0	0	113.5	N33 L37	N33-G35 PolarHBondContact O-N 3.29Å; G35-L37 WeakPolarHBondContact O-CG 3.43Å; G35-L37 PolarHBondContact O-N 3.16Å
36	G	94.5	Very high	96.6	Very high	31 Å²	31	46.8 Å²	46.8	32%	0.32	24%	0.238	S	C	.	.			trans	66.7	19.3	177.7	0	0	0	0	0	114	N33 Q34 K55	N33-G36 PolarHBondContact O-N 2.81Å; N33-G36 VanDerWaalsContact O-N 3.12Å; Q34-G36 PolarHBondContact O-N 3.41Å; G36-K55 PolarHBondContact O-NZ 3.1Å
37	L	97.4	Very high	96.7	Very high	13 Å²	13	44.1 Å²	44.1	7%	0.068	23%	0.226	C	C	.	.			trans	-114.2	154.8	-178.2	-60.5	172.2	0	0	0	110.4	G35 Q53 K55 H68 G169 V170	G35-L37 WeakPolarHBondContact O-CG 3.43Å; G35-L37 PolarHBondContact O-N 3.16Å; L37-Q53 HydrophobicContact CD2-CB 3.89Å; L37-K55 HydrophobicContact CD2-CB 4.45Å; L37-K55 HydrophobicContact CD2-CD 3.83Å; L37-K55 HydrophobicContact CD2-CG 4.03Å; L37-H68 WeakPolarHBondContact CD1-CE1 3.49Å; L37-H68 WeakPolarHBondContact CD1-NE2 3.43Å; L37-G169 VanDerWaalsContact O-CA 3.32Å; L37-G169 WeakPolarHBondContact O-CA 3.39Å; L37-V170 PolarHBondContact O-N 3.42Å; L37-V170 VanDerWaalsContact O-N 3.12Å
38	T	98.6	Very high	96.7	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133.1	167.8	-56	0	0	0	0	108.6	A168 K171 L202	T38-A168 WeakPolarHBondContact CA-O 3.43Å; T38-K171 HydrophobicContact CG2-CB 3.95Å; T38-K171 WeakPolarHBondContact OG1-CB 3.46Å; T38-K171 PolarHBondContact OG1-N 2.85Å; T38-K171 VanDerWaalsContact OG1-N 3.12Å; T38-L202 HydrophobicContact CG2-CD1 3.96Å
39	S	98.7	Very high	96.7	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.007	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	141.3	174.8	-52.8	0	0	0	0	109.1	V51 T52 T81 A167 A168	S39-V51 WeakPolarHBondContact CA-O 3.3Å; S39-T52 PolarHBondContact OG-OG1 3.08Å; S39-T81 WeakPolarHBondContact CB-OG1 3.35Å; S39-T81 PolarHBondContact OG-OG1 2.9Å; S39-A167 CarbonylContact O-C 3.48Å; S39-A167 WeakPolarHBondContact O-CA 3.47Å; S39-A167 WeakPolarHBondContact O-CB 2.95Å; S39-A168 PolarHBondContact N-O 2.97Å; S39-A168 PolarHBondContact O-N 3.05Å
40	V	98.8	Very high	96.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.8	179.7	176.3	0	0	0	0	108.5	V42 I50 V51 A167 L179 A198 C201 L202	V40-V42 HydrophobicContact CG1-CG2 4.05Å; V40-I50 CarbonylContact O-C 3.54Å; V40-I50 WeakPolarHBondContact O-CA 3.36Å; V40-V51 PolarHBondContact N-O 2.85Å; V40-V51 PolarHBondContact O-N 2.91Å; V40-A167 HydrophobicContact CG2-CB 4.2Å; V40-L179 HydrophobicContact CG1-CD1 4.16Å; V40-L179 HydrophobicContact CG1-CD2 4.47Å; V40-A198 HydrophobicContact CG1-CB 4.42Å; V40-C201 HydrophobicContact CG1-CB 4.4Å; V40-L202 HydrophobicContact CG2-CB 4.35Å; V40-L202 HydrophobicContact CG2-CD1 4.2Å
41	A	98.8	Very high	96.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137.8	171.4	0	0	0	0	0	110.5	V49 I50 I139 V151 A165 T166	A41-V49 CarbonylContact C-O 3.6Å; A41-V49 WeakPolarHBondContact CA-O 3.27Å; A41-I50 HydrophobicContact CB-CG1 3.95Å; A41-I139 HydrophobicContact CB-CG2 3.7Å; A41-V151 HydrophobicContact CB-CG1 3.77Å; A41-A165 CarbonylContact O-C 3.58Å; A41-A165 WeakPolarHBondContact O-CA 3.32Å; A41-T166 HydrophobicContact CB-CG2 4.41Å; A41-T166 PolarHBondContact N-O 3.27Å; A41-T166 PolarHBondContact O-N 2.94Å
42	V	98.4	Very high	97	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	134.3	-178	-171.9	0	0	0	0	109	V40 V49 A165 L179 W189 T194 A198	V40-V42 HydrophobicContact CG1-CG2 4.05Å; V42-V49 PolarHBondContact N-O 3.4Å; V42-V49 PolarHBondContact O-N 3.1Å; V42-A165 HydrophobicContact CB-CB 4.44Å; V42-A165 HydrophobicContact CG1-CB 4.24Å; V42-A165 HydrophobicContact CG2-CB 4.21Å; V42-L179 HydrophobicContact CG2-CD2 3.97Å; V42-W189 HydrophobicContact CG1-CE3 4.37Å; V42-W189 HydrophobicContact CG1-CZ3 3.8Å; V42-T194 HydrophobicContact CB-CG2 4.04Å; V42-T194 HydrophobicContact CG1-CG2 3.93Å; V42-A198 HydrophobicContact CB-CB 4.45Å; V42-A198 HydrophobicContact CG2-CB 3.8Å
43	R	97.8	Very high	97	Very high	78 Å²	78	29.6 Å²	29.6	29%	0.294	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.6	174.4	-175.9	175.8	60.5	177.6	9.7	109.9	P149 V151 K164	R43-P149 WeakPolarHBondContact CD-O 3.39Å; R43-P149 HydrophobicContact CG-CB 4.06Å; R43-V151 HydrophobicContact CB-CG2 3.78Å; R43-K164 VanDerWaalsContact CB-O 3.23Å; R43-K164 WeakPolarHBondContact CB-O 3.48Å; R43-K164 PolarHBondContact N-O 3.44Å
44	G	96.5	Very high	97.1	Very high	10 Å²	10	27.4 Å²	27.4	10%	0.103	15%	0.148	C	C	.	.			trans	-90.5	-167.8	169.7	0	0	0	0	0	112.6	C47 T194	G44-C47 WeakPolarHBondContact CA-O 3.41Å; G44-C47 PolarHBondContact N-O 2.99Å; G44-T194 WeakPolarHBondContact CA-OG1 3.32Å
45	K	95.6	Very high	97.1	Very high	114 Å²	114	25.6 Å²	25.6	50%	0.496	14%	0.137	S	C	.	.	S	Bend	trans	-70.8	-49.5	172.6	-75	-178.5	-171.6	156.1	0	111.5	P149 D188 W189	K45-P149 VanDerWaalsContact O-CD 3.29Å; K45-P149 WeakPolarHBondContact O-CD 3.23Å; K45-P149 WeakPolarHBondContact O-CG 3.2Å; K45-D188 WeakPolarHBondContact CD-O 3.5Å; K45-D188 WeakPolarHBondContact CE-O 3.29Å; K45-D188 PolarHBondContact NZ-O 3.13Å; K45-D188 IonicContact NZ-OD1 2.69Å; K45-D188 PolarHBondContact NZ-OD1 2.91Å; K45-W189 HydrophobicContact CG-CB 4.3Å; K45-W189 PolarHBondContact N-O 2.91Å; K45-W189 VanDerWaalsContact N-O 3.13Å
46	D	95.3	Very high	97.5	Very high	101 Å²	101	26.2 Å²	26.2	54%	0.54	13%	0.134	S	C	.	.	S	Bend	trans	-116.8	8.8	-171.2	-48.7	-51.5	0	0	0	112.8	T221 V222	D46-T221 CarbonylContact O-C 3.51Å; D46-T221 VanDerWaalsContact O-CA 3.32Å; D46-T221 WeakPolarHBondContact O-CA 3.4Å; D46-V222 HydrophobicContact CB-CB 4.5Å; D46-V222 HydrophobicContact CB-CG2 4.29Å; D46-V222 PolarHBondContact O-N 3.43Å
47	C	98.1	Very high	97.4	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.014	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	163.1	178.4	68.7	0	0	0	0	113.3	G44 P149 F191 V220 T221	G44-C47 WeakPolarHBondContact CA-O 3.41Å; G44-C47 PolarHBondContact N-O 2.99Å; C47-P149 VanDerWaalsContact N-CG 3.33Å; C47-P149 WeakPolarHBondContact O-CB 3.48Å; C47-F191 HydrophobicContact CB-CD2 3.86Å; C47-V220 CarbonylContact C-O 3.53Å; C47-V220 WeakPolarHBondContact CA-O 3.34Å; C47-V220 VanDerWaalsContact CB-O 3.28Å; C47-V220 WeakPolarHBondContact CB-O 3.38Å; C47-T221 HydrophobicContact CB-CG2 3.92Å
48	A	98.6	Very high	97.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140	163.1	0	0	0	0	0	109.1	I141 P149 V151 V219 V220	A48-I141 HydrophobicContact CB-CB 4.03Å; A48-I141 HydrophobicContact CB-CG2 4.09Å; A48-P149 HydrophobicContact CB-CB 4.04Å; A48-V151 HydrophobicContact CB-CG2 3.97Å; A48-V219 WeakPolarHBondContact O-CA 3.47Å; A48-V220 HydrophobicContact CB-CG2 3.81Å; A48-V220 PolarHBondContact N-O 3.1Å; A48-V220 PolarHBondContact O-N 2.94Å
49	V	98.7	Very high	97.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	140	-172.6	-178.5	0	0	0	0	109.4	A41 V42 V51 T194 V195 A198 V217 G218 V219	A41-V49 CarbonylContact C-O 3.6Å; A41-V49 WeakPolarHBondContact CA-O 3.27Å; V42-V49 PolarHBondContact N-O 3.4Å; V42-V49 PolarHBondContact O-N 3.1Å; V49-V51 HydrophobicContact CG1-CG2 4.12Å; V49-T194 HydrophobicContact CB-CG2 4.23Å; V49-T194 HydrophobicContact CG2-CG2 3.75Å; V49-V195 HydrophobicContact CG1-CG2 4.18Å; V49-V195 HydrophobicContact CG2-CG2 3.7Å; V49-A198 HydrophobicContact CG1-CB 4.39Å; V49-V217 HydrophobicContact CG1-CG1 3.85Å; V49-G218 WeakPolarHBondContact CA-O 3.43Å; V49-V219 HydrophobicContact CG1-CG1 4.15Å; V49-V219 HydrophobicContact CG2-CG1 4.05Å
50	I	98.8	Very high	97	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.5	165.5	-66	160.4	0	0	0	108.8	V40 A41 L69 V79 I141 V217 G218	V40-I50 CarbonylContact O-C 3.54Å; V40-I50 WeakPolarHBondContact O-CA 3.36Å; A41-I50 HydrophobicContact CB-CG1 3.95Å; I50-L69 HydrophobicContact CB-CD2 4.35Å; I50-L69 HydrophobicContact CG2-CD2 3.81Å; I50-V79 HydrophobicContact CB-CG1 4.45Å; I50-V79 HydrophobicContact CD1-CB 4.24Å; I50-V79 HydrophobicContact CD1-CG1 3.99Å; I50-V79 HydrophobicContact CG1-CG1 4.21Å; I50-V79 HydrophobicContact CG2-CB 3.62Å; I50-V79 HydrophobicContact CG2-CG1 3.4Å; I50-V79 VanDerWaalsContact CG2-CG1 3.4Å; I50-V79 HydrophobicContact CG2-CG2 4.15Å; I50-I141 HydrophobicContact CD1-CB 4.25Å; I50-I141 HydrophobicContact CD1-CD1 3.67Å; I50-I141 HydrophobicContact CD1-CG1 3.64Å; I50-I141 HydrophobicContact CD1-CG2 3.74Å; I50-I141 HydrophobicContact CG1-CD1 3.88Å; I50-I141 HydrophobicContact CG1-CG1 4.25Å; I50-I141 HydrophobicContact CG1-CG2 3.71Å; I50-V217 CarbonylContact O-C 3.49Å; I50-V217 WeakPolarHBondContact O-CA 3.26Å; I50-G218 PolarHBondContact N-O 3.46Å; I50-G218 PolarHBondContact O-N 3.03Å
51	V	98.8	Very high	96.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.4	168.2	-174.5	0	0	0	0	109.1	S39 V40 V49 A198 I199 L202 I215 E216 V217	S39-V51 WeakPolarHBondContact CA-O 3.3Å; V40-V51 PolarHBondContact N-O 2.85Å; V40-V51 PolarHBondContact O-N 2.91Å; V49-V51 HydrophobicContact CG1-CG2 4.12Å; V51-A198 HydrophobicContact CB-CB 4.33Å; V51-A198 HydrophobicContact CG2-CB 3.5Å; V51-A198 VanDerWaalsContact CG2-CB 3.5Å; V51-I199 HydrophobicContact CG1-CG1 4.35Å; V51-I199 HydrophobicContact CG2-CG1 4.05Å; V51-L202 HydrophobicContact CB-CD2 4.49Å; V51-L202 HydrophobicContact CG1-CD2 3.71Å; V51-I215 HydrophobicContact CG1-CB 4.3Å; V51-I215 HydrophobicContact CG1-CD1 4.41Å; V51-I215 HydrophobicContact CG1-CG2 4.47Å; V51-E216 WeakPolarHBondContact CA-O 3.38Å; V51-V217 HydrophobicContact CG1-CG2 4.38Å; V51-V217 HydrophobicContact CG2-CG1 4.23Å; V51-V217 HydrophobicContact CG2-CG2 4.14Å
52	T	98.7	Very high	96.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	155.8	176.2	-167.4	0	0	0	0	111.5	S39 H68 L69 V79 I215 E216	S39-T52 PolarHBondContact OG-OG1 3.08Å; T52-H68 HydrophobicContact CG2-CB 4.09Å; T52-L69 HydrophobicContact CG2-CD2 4.22Å; T52-L69 HydrophobicContact CG2-CG 4.3Å; T52-V79 HydrophobicContact CG2-CG2 4.05Å; T52-I215 CarbonylContact O-C 3.54Å; T52-I215 VanDerWaalsContact O-CA 3.27Å; T52-I215 WeakPolarHBondContact O-CA 3.42Å; T52-E216 HydrophobicContact CG2-CB 4.09Å; T52-E216 PolarHBondContact N-O 2.93Å; T52-E216 PolarHBondContact O-N 3.34Å
53	Q	98.1	Very high	96.7	Very high	8 Å²	8	61.7 Å²	61.7	4%	0.037	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	135.5	177.6	-62.3	179.5	-88.8	0	0	111.1	L37 L202 L206	L37-Q53 HydrophobicContact CD2-CB 3.89Å; Q53-L202 HydrophobicContact CG-CD1 4.38Å; Q53-L202 HydrophobicContact CG-CD2 4.14Å; Q53-L206 HydrophobicContact CG-CD1 3.87Å
54	K	97.3	Very high	96.6	Very high	27 Å²	27	61.9 Å²	61.9	12%	0.117	33%	0.329	C	S	.	.			trans	-107.6	101.2	170.2	-166.1	174.6	-177.7	169.7	0	110	V56 S63 V66 E214 E216	K54-V56 HydrophobicContact CG-CG2 4.31Å; K54-S63 WeakPolarHBondContact CE-O 3.32Å; K54-S63 PolarHBondContact NZ-O 3.18Å; K54-V66 WeakPolarHBondContact CE-O 3.42Å; K54-E214 PolarHBondContact N-O 2.84Å; K54-E216 HydrophobicContact CB-CG 4.08Å; K54-E216 HydrophobicContact CD-CG 3.83Å; K54-E216 HydrophobicContact CG-CG 4.28Å
55	K	94.6	Very high	96.6	Very high	113 Å²	113	65.5 Å²	65.5	49%	0.491	35%	0.349	S	S	.	.			trans	-103.3	113	177.9	-67.2	-176.4	179.3	176.2	0	110.1	G36 L37 P57	G36-K55 PolarHBondContact O-NZ 3.1Å; L37-K55 HydrophobicContact CD2-CB 4.45Å; L37-K55 HydrophobicContact CD2-CD 3.83Å; L37-K55 HydrophobicContact CD2-CG 4.03Å; K55-P57 WeakPolarHBondContact O-CD 3.45Å
56	V	95.8	Very high	96.6	Very high	51 Å²	51	61.7 Å²	61.7	31%	0.309	34%	0.335	S	S	.	.			trans	-115.4	90.8	174.7	-173.1	0	0	0	0	107.9	K54 D58 L61 V66	K54-V56 HydrophobicContact CG-CG2 4.31Å; V56-D58 VanDerWaalsContact C-N 3.34Å; V56-D58 WeakPolarHBondContact CG1-O 3.29Å; V56-D58 PolarHBondContact O-N 2.98Å; V56-L61 HydrophobicContact CG1-CB 3.93Å; V56-L61 HydrophobicContact CG1-CD1 4.48Å; V56-V66 HydrophobicContact CG2-CB 4.44Å
57	P	91.8	Very high	96.7	Very high	122 Å²	122	58.6 Å²	58.6	79%	0.792	32%	0.32	S	S	*	.			trans	-72.2	-28.6	-171.8	27.7	-34.8	0	0	0	113.2	K55 L61	K55-P57 WeakPolarHBondContact O-CD 3.45Å; P57-L61 HydrophobicContact CG-CD1 4.3Å
58	D	95.1	Very high	96.8	Very high	77 Å²	77	59.4 Å²	59.4	41%	0.412	32%	0.324	S	S	.	.			trans	-114.5	131.6	-177.8	-174.9	-3.7	0	0	0	110.2	V56 L60 L61	V56-D58 VanDerWaalsContact C-N 3.34Å; V56-D58 WeakPolarHBondContact CG1-O 3.29Å; V56-D58 PolarHBondContact O-N 2.98Å; D58-L60 PolarHBondContact O-N 3.39Å; D58-L60 WeakPolarHBondContact OD1-CB 3.41Å; D58-L60 PolarHBondContact OD1-N 2.98Å; D58-L61 HydrophobicContact CB-CD1 4.09Å; D58-L61 HydrophobicContact CB-CG 4.09Å; D58-L61 WeakPolarHBondContact O-CB 3.39Å; D58-L61 PolarHBondContact O-N 3.44Å; D58-L61 VanDerWaalsContact O-N 3.13Å
59	K	94.3	Very high	96.8	Very high	208 Å²	208	59.6 Å²	59.6	90%	0.904	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.3	177.1	-63.4	-178.1	-179.4	179.6	0	112.9	L61	K59-L61 VanDerWaalsContact C-N 3.29Å
60	L	97.4	Very high	96.8	Very high	156 Å²	156	61.1 Å²	61.1	82%	0.817	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-12.2	175.4	-59.1	179.1	0	0	0	112.8	D58	D58-L60 PolarHBondContact O-N 3.39Å; D58-L60 WeakPolarHBondContact OD1-CB 3.41Å; D58-L60 PolarHBondContact OD1-N 2.98Å
61	L	96.8	Very high	96.8	Very high	82 Å²	82	65 Å²	65	43%	0.429	35%	0.348	S	S	.	.	S	Bend	trans	-77	131.7	173	-69	170.6	0	0	0	110.1	V56 P57 D58 K59 S63	V56-L61 HydrophobicContact CG1-CB 3.93Å; V56-L61 HydrophobicContact CG1-CD1 4.48Å; P57-L61 HydrophobicContact CG-CD1 4.3Å; D58-L61 HydrophobicContact CB-CD1 4.09Å; D58-L61 HydrophobicContact CB-CG 4.09Å; D58-L61 WeakPolarHBondContact O-CB 3.39Å; D58-L61 PolarHBondContact O-N 3.44Å; D58-L61 VanDerWaalsContact O-N 3.13Å; K59-L61 VanDerWaalsContact C-N 3.29Å; L61-S63 PolarHBondContact O-N 3.32Å
62	D	96.9	Very high	96.8	Very high	91 Å²	91	65.6 Å²	65.6	49%	0.487	35%	0.352	S	S	.	.			trans	-69.2	104.6	167.5	-176.4	-10.4	0	0	0	109.4	S64 T65	D62-S64 PolarHBondContact O-N 2.84Å; D62-S64 VanDerWaalsContact O-N 3.16Å; D62-S64 VanDerWaalsContact OD1-CB 3.29Å; D62-S64 WeakPolarHBondContact OD1-CB 3.11Å; D62-S64 PolarHBondContact OD1-N 3.32Å; D62-S64 PolarHBondContact OD1-OG 2.91Å; D62-S64 PolarHBondContact OD2-OG 3.47Å; D62-T65 HydrophobicContact CB-CG2 4.17Å; D62-T65 PolarHBondContact O-N 3.46Å; D62-T65 VanDerWaalsContact O-N 3.1Å; D62-T65 PolarHBondContact O-OG1 3.39Å
63	S	95.9	Very high	96.8	Very high	55 Å²	55	66.6 Å²	66.6	39%	0.385	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.5	-178.5	65.6	0	0	0	0	112.9	K54 L61 T65 V66	K54-S63 WeakPolarHBondContact CE-O 3.32Å; K54-S63 PolarHBondContact NZ-O 3.18Å; L61-S63 PolarHBondContact O-N 3.32Å; S63-T65 VanDerWaalsContact C-N 3.26Å; S63-T65 PolarHBondContact O-N 2.97Å; S63-V66 PolarHBondContact O-N 2.92Å
64	S	95	Very high	96.8	Very high	82 Å²	82	70.9 Å²	70.9	57%	0.573	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-26.3	178.3	73.3	0	0	0	0	112.7	D62	D62-S64 PolarHBondContact O-N 2.84Å; D62-S64 VanDerWaalsContact O-N 3.16Å; D62-S64 VanDerWaalsContact OD1-CB 3.29Å; D62-S64 WeakPolarHBondContact OD1-CB 3.11Å; D62-S64 PolarHBondContact OD1-N 3.32Å; D62-S64 PolarHBondContact OD1-OG 2.91Å; D62-S64 PolarHBondContact OD2-OG 3.47Å
65	T	96.3	Very high	96.8	Very high	86 Å²	86	72 Å²	72	53%	0.528	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-15.1	-179.3	70.3	0	0	0	0	113.3	D62 S63 T67	D62-T65 HydrophobicContact CB-CG2 4.17Å; D62-T65 PolarHBondContact O-N 3.46Å; D62-T65 VanDerWaalsContact O-N 3.1Å; D62-T65 PolarHBondContact O-OG1 3.39Å; S63-T65 VanDerWaalsContact C-N 3.26Å; S63-T65 PolarHBondContact O-N 2.97Å; T65-T67 PolarHBondContact O-N 3.21Å
66	V	97.1	Very high	97.1	Very high	34 Å²	34	66.8 Å²	66.8	21%	0.206	36%	0.362	C	S	.	.			trans	-90.9	87.1	178.5	-175	0	0	0	0	108.4	K54 V56 S63	K54-V66 WeakPolarHBondContact CE-O 3.42Å; V56-V66 HydrophobicContact CG2-CB 4.44Å; S63-V66 PolarHBondContact O-N 2.92Å
67	T	97.9	Very high	97.2	Very high	37 Å²	37	64.4 Å²	64.4	23%	0.227	35%	0.348	C	S	.	.			trans	-131.8	148.1	176.3	-170.6	0	0	0	0	111.7	T65 L69 F70 E216	T65-T67 PolarHBondContact O-N 3.21Å; T67-L69 PolarHBondContact OG1-N 3.48Å; T67-F70 HydrophobicContact CG2-CE1 4.33Å; T67-F70 WeakPolarHBondContact O-CZ 3.46Å; T67-E216 WeakPolarHBondContact CA-OE2 3.47Å; T67-E216 WeakPolarHBondContact CB-OE1 3.28Å; T67-E216 VanDerWaalsContact OG1-CD 3.25Å; T67-E216 PolarHBondContact OG1-OE1 3.2Å; T67-E216 PolarHBondContact OG1-OE2 3.48Å
68	H	98.4	Very high	97.5	Very high	19 Å²	19	58.6 Å²	58.6	9%	0.088	31%	0.31	C	S	.	.			trans	-108.4	-3.4	170.3	-63.4	83.4	0	0	0	112.5	L37 T52 F70 V79 M80 E216	L37-H68 WeakPolarHBondContact CD1-CE1 3.49Å; L37-H68 WeakPolarHBondContact CD1-NE2 3.43Å; T52-H68 HydrophobicContact CG2-CB 4.09Å; H68-F70 VanDerWaalsContact O-CD2 3.31Å; H68-F70 WeakPolarHBondContact O-CD2 3.36Å; H68-F70 VanDerWaalsContact O-CE2 3.31Å; H68-F70 WeakPolarHBondContact O-CE2 3.38Å; H68-V79 HydrophobicContact CB-CG2 4.07Å; H68-V79 VanDerWaalsContact O-CA 3.28Å; H68-V79 WeakPolarHBondContact O-CA 3.19Å; H68-M80 PolarHBondContact CD2-O 3.13Å; H68-M80 PolarHBondContact O-N 2.91Å; H68-E216 PolarHBondContact N-OE2 2.82Å; H68-E216 VanDerWaalsContact N-OE2 3.17Å
69	L	98.8	Very high	97.7	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	126.8	175.9	-61.3	-177.3	0	0	0	109.9	I50 T52 T67 C78 V79 E216 F227 I229	I50-L69 HydrophobicContact CB-CD2 4.35Å; I50-L69 HydrophobicContact CG2-CD2 3.81Å; T52-L69 HydrophobicContact CG2-CD2 4.22Å; T52-L69 HydrophobicContact CG2-CG 4.3Å; T67-L69 PolarHBondContact OG1-N 3.48Å; L69-C78 WeakPolarHBondContact CA-O 3.24Å; L69-V79 HydrophobicContact CD2-CB 3.84Å; L69-V79 HydrophobicContact CD2-CG2 4.03Å; L69-E216 HydrophobicContact CD1-CB 3.63Å; L69-E216 HydrophobicContact CG-CB 4.13Å; L69-F227 HydrophobicContact CB-CZ 4.39Å; L69-I229 HydrophobicContact CB-CD1 3.82Å; L69-I229 HydrophobicContact CB-CG1 4.26Å; L69-I229 HydrophobicContact CD1-CD1 4.34Å; L69-I229 HydrophobicContact CD1-CG1 4.05Å; L69-I229 HydrophobicContact CD1-CG2 4.07Å
70	F	98.8	Very high	97.9	Very high	31 Å²	31	45 Å²	45	14%	0.136	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	129.3	178.9	-54.9	-84.7	0	0	0	110.5	T67 H68 I72 C78 M80 V91	T67-F70 HydrophobicContact CG2-CE1 4.33Å; T67-F70 WeakPolarHBondContact O-CZ 3.46Å; H68-F70 VanDerWaalsContact O-CD2 3.31Å; H68-F70 WeakPolarHBondContact O-CD2 3.36Å; H68-F70 VanDerWaalsContact O-CE2 3.31Å; H68-F70 WeakPolarHBondContact O-CE2 3.38Å; F70-I72 PolarHBondContact O-N 2.87Å; F70-C78 PolarHBondContact N-O 3.43Å; F70-C78 PolarHBondContact O-N 3.27Å; F70-M80 HydrophobicContact CD2-CB 4.45Å; F70-M80 HydrophobicContact CD2-CG 3.74Å; F70-M80 HydrophobicContact CE2-CB 4.07Å; F70-M80 HydrophobicContact CE2-CG 3.75Å; F70-V91 HydrophobicContact CB-CG1 3.87Å; F70-V91 HydrophobicContact CB-CG2 4.19Å; F70-V91 HydrophobicContact CD1-CG1 4.3Å; F70-V91 HydrophobicContact CD2-CG2 3.77Å; F70-V91 HydrophobicContact CE2-CG2 4.35Å; F70-V91 HydrophobicContact CG-CG1 4.02Å; F70-V91 HydrophobicContact CG-CG2 3.97Å
71	K	98.8	Very high	98	Very high	81 Å²	81	37.7 Å²	37.7	35%	0.352	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	123.1	164.3	-172.6	-177.6	-75.7	-167.4	0	108.9	T73 E74 R95 F227	K71-T73 WeakPolarHBondContact CG-O 3.43Å; K71-E74 IonicContact NZ-OE1 3.68Å; K71-E74 IonicContact NZ-OE2 2.93Å; K71-E74 PolarHBondContact NZ-OE2 3.04Å; K71-R95 PolarHBondContact O-NE 3.5Å; K71-R95 PolarHBondContact O-NH2 2.9Å; K71-F227 HydrophobicContact CB-CD1 4.03Å; K71-F227 HydrophobicContact CG-CD1 4.32Å
72	I	98.8	Very high	98	Very high	14 Å²	14	33.9 Å²	33.9	7%	0.072	19%	0.19	C	C	.	.	S	Bend	trans	-92.7	-52.4	174.7	-55.5	-56.1	0	0	0	110.1	F70 I76 C78 V91 A94 R95 A98 L114 L140	F70-I72 PolarHBondContact O-N 2.87Å; I72-I76 HydrophobicContact CB-CB 4.37Å; I72-I76 HydrophobicContact CB-CG2 4.15Å; I72-I76 HydrophobicContact CG1-CG2 4.39Å; I72-I76 PolarHBondContact N-O 2.73Å; I72-C78 HydrophobicContact CD1-CB 4.3Å; I72-C78 HydrophobicContact CG1-CB 4.02Å; I72-V91 HydrophobicContact CD1-CG1 3.93Å; I72-A94 HydrophobicContact CD1-CB 4.08Å; I72-A94 HydrophobicContact CG2-CB 4.09Å; I72-R95 HydrophobicContact CD1-CG 4.29Å; I72-R95 HydrophobicContact CG2-CG 4.13Å; I72-A98 HydrophobicContact CG2-CB 4.19Å; I72-L114 HydrophobicContact CG2-CD2 3.87Å; I72-L140 HydrophobicContact CG1-CD2 4.1Å
73	T	98.6	Very high	98.1	Very high	20 Å²	20	32.6 Å²	32.6	12%	0.123	18%	0.182	C	C	.	.	S	Bend	trans	-128.9	179.9	167.6	71.3	0	0	0	0	108.4	K71 N75 I76 A98	K71-T73 WeakPolarHBondContact CG-O 3.43Å; T73-N75 PolarHBondContact O-N 2.97Å; T73-N75 PolarHBondContact OG1-N 2.8Å; T73-I76 PolarHBondContact N-O 2.98Å; T73-I76 PolarHBondContact O-N 3.46Å; T73-I76 PolarHBondContact OG1-N 3.03Å; T73-A98 HydrophobicContact CG2-CB 3.55Å
74	E	98.4	Very high	98.2	Very high	99 Å²	99	33.4 Å²	33.4	46%	0.463	18%	0.184	S	C	.	.	S	Bend	trans	-58.2	-33	175.3	-67.5	-55.4	146.1	0	0	112.9	K71 K226 F227	K71-E74 IonicContact NZ-OE1 3.68Å; K71-E74 IonicContact NZ-OE2 2.93Å; K71-E74 PolarHBondContact NZ-OE2 3.04Å; E74-K226 CarbonylContact O-C 3.58Å; E74-K226 WeakPolarHBondContact O-CA 3.43Å; E74-F227 PolarHBondContact O-N 3.28Å
75	N	98.4	Very high	98.3	Very high	50 Å²	50	33 Å²	33	27%	0.267	19%	0.186	S	C	.	.	S	Bend	trans	-104.5	-5.4	-174.3	-59.3	-15.8	0	0	0	113.8	T73 G142 P225	T73-N75 PolarHBondContact O-N 2.97Å; T73-N75 PolarHBondContact OG1-N 2.8Å; N75-G142 WeakPolarHBondContact O-CA 3.2Å; N75-P225 WeakPolarHBondContact CA-O 3.5Å
76	I	98.9	Very high	98.5	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	118.1	-178.3	-57.7	-179.7	0	0	0	110.2	I72 T73 I109 V111 L114 L140 I141	I72-I76 HydrophobicContact CB-CB 4.37Å; I72-I76 HydrophobicContact CB-CG2 4.15Å; I72-I76 HydrophobicContact CG1-CG2 4.39Å; I72-I76 PolarHBondContact N-O 2.73Å; T73-I76 PolarHBondContact N-O 2.98Å; T73-I76 PolarHBondContact O-N 3.46Å; T73-I76 PolarHBondContact OG1-N 3.03Å; I76-I109 HydrophobicContact CD1-CG2 3.81Å; I76-I109 WeakPolarHBondContact CD1-O 3.31Å; I76-V111 HydrophobicContact CD1-CG2 4.25Å; I76-V111 HydrophobicContact CG1-CG2 4.21Å; I76-L114 HydrophobicContact CD1-CD2 3.98Å; I76-L114 HydrophobicContact CG2-CD2 3.98Å; I76-L140 HydrophobicContact CG2-CD2 3.77Å; I76-I141 WeakPolarHBondContact CA-O 3.39Å
77	G	98.8	Very high	98.5	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	155.1	169.1	0	0	0	0	0	111.6	L140 I141 F227	G77-L140 WeakPolarHBondContact O-CA 3.32Å; G77-I141 PolarHBondContact N-O 2.91Å; G77-I141 PolarHBondContact O-N 3.43Å; G77-F227 VanDerWaalsContact CA-CG 3.42Å
78	C	98.8	Very high	98.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	160.3	170.8	87.9	0	0	0	0	112	L69 F70 I72 M138 I139 L140	L69-C78 WeakPolarHBondContact CA-O 3.24Å; F70-C78 PolarHBondContact N-O 3.43Å; F70-C78 PolarHBondContact O-N 3.27Å; I72-C78 HydrophobicContact CD1-CB 4.3Å; I72-C78 HydrophobicContact CG1-CB 4.02Å; C78-M138 HydrophobicContact CB-CG 4.22Å; C78-I139 CarbonylContact C-O 3.49Å; C78-I139 WeakPolarHBondContact CA-O 3.39Å; C78-I139 VanDerWaalsContact CB-O 3.31Å; C78-I139 WeakPolarHBondContact CB-O 3.2Å; C78-L140 HydrophobicContact CB-CD2 3.53Å; C78-L140 HydrophobicContact CB-CG 4.32Å
79	V	98.9	Very high	98.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.8	161	62.4	0	0	0	0	110.8	I50 T52 H68 L69 I139	I50-V79 HydrophobicContact CB-CG1 4.45Å; I50-V79 HydrophobicContact CD1-CB 4.24Å; I50-V79 HydrophobicContact CD1-CG1 3.99Å; I50-V79 HydrophobicContact CG1-CG1 4.21Å; I50-V79 HydrophobicContact CG2-CB 3.62Å; I50-V79 HydrophobicContact CG2-CG1 3.4Å; I50-V79 VanDerWaalsContact CG2-CG1 3.4Å; I50-V79 HydrophobicContact CG2-CG2 4.15Å; T52-V79 HydrophobicContact CG2-CG2 4.05Å; H68-V79 HydrophobicContact CB-CG2 4.07Å; H68-V79 VanDerWaalsContact O-CA 3.28Å; H68-V79 WeakPolarHBondContact O-CA 3.19Å; L69-V79 HydrophobicContact CD2-CB 3.84Å; L69-V79 HydrophobicContact CD2-CG2 4.03Å; V79-I139 HydrophobicContact CG1-CB 3.72Å; V79-I139 HydrophobicContact CG1-CD1 4.22Å; V79-I139 HydrophobicContact CG1-CG1 4.41Å; V79-I139 HydrophobicContact CG1-CG2 4.38Å; V79-I139 PolarHBondContact N-O 2.93Å; V79-I139 PolarHBondContact O-N 3.41Å
80	M	98.8	Very high	98.6	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.9	177.8	-61.5	-52.6	-67.3	0	0	111.1	H68 F70 Q90 V91 C136 M138	H68-M80 PolarHBondContact CD2-O 3.13Å; H68-M80 PolarHBondContact O-N 2.91Å; F70-M80 HydrophobicContact CD2-CB 4.45Å; F70-M80 HydrophobicContact CD2-CG 3.74Å; F70-M80 HydrophobicContact CE2-CB 4.07Å; F70-M80 HydrophobicContact CE2-CG 3.75Å; M80-Q90 HydrophobicContact CE-CB 4.15Å; M80-Q90 VanDerWaalsContact CE-OE1 3.31Å; M80-V91 HydrophobicContact CG-CG2 3.5Å; M80-V91 HydrophobicContact SD-CG2 3.79Å; M80-C136 HydrophobicContact CE-CB 4.15Å; M80-M138 HydrophobicContact CE-CB 3.92Å; M80-M138 HydrophobicContact CE-CE 3.85Å; M80-M138 HydrophobicContact CE-CG 4.47Å; M80-M138 HydrophobicContact SD-CB 3.63Å; M80-M138 HydrophobicContact SD-CE 3.39Å; M80-M138 WeakPolarHBondContact SD-CE 3.45Å; M80-M138 HydrophobicContact SD-CG 3.62Å; M80-M138 HydrophobicContact SD-SD 4.36Å
81	T	98.5	Very high	98.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.7	175	-48.1	0	0	0	0	110.1	I32 S39 C136 C137 A168	I32-T81 HydrophobicContact CG2-CG2 4.12Å; S39-T81 WeakPolarHBondContact CB-OG1 3.35Å; S39-T81 PolarHBondContact OG-OG1 2.9Å; T81-C136 CarbonylContact O-C 3.58Å; T81-C136 WeakPolarHBondContact O-CA 3.4Å; T81-C137 PolarHBondContact N-O 3.34Å; T81-C137 PolarHBondContact O-N 3.39Å; T81-A168 HydrophobicContact CG2-CB 4.32Å
82	G	97.9	Very high	98.6	Very high	3 Å²	3	36.2 Å²	36.2	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	120.6	-148.8	-179.4	0	0	0	0	0	113.2	I32 T84	I32-G82 WeakPolarHBondContact O-CA 3.4Å; G82-T84 PolarHBondContact O-N 2.85Å
83	M	98.1	Very high	98.6	Very high	63 Å²	63	40.1 Å²	40.1	31%	0.31	21%	0.208	S	C	.	.			trans	-62.7	117.7	-178.1	-66.8	178.5	68.2	0	0	111.3	A31 A85 D86 S87 G135	A31-M83 HydrophobicContact CB-CG 4.47Å; A31-M83 HydrophobicContact CB-SD 4.1Å; M83-A85 VanDerWaalsContact C-N 3.34Å; M83-A85 PolarHBondContact O-N 2.82Å; M83-D86 HydrophobicContact CB-CB 4.16Å; M83-D86 PolarHBondContact O-N 3.25Å; M83-S87 WeakPolarHBondContact O-CB 3.48Å; M83-S87 PolarHBondContact O-N 3.19Å; M83-S87 PolarHBondContact O-OG 2.69Å; M83-G135 PolarHBondContact N-O 2.96Å
84	T	98.1	Very high	98.6	Very high	72 Å²	72	39.2 Å²	39.2	44%	0.442	20%	0.202	S	C	.	.	H	α-helix	trans	-60.4	-37.4	-172	-48.8	0	0	0	0	113.9	G82 S87 R88	G82-T84 PolarHBondContact O-N 2.85Å; T84-S87 WeakPolarHBondContact O-CB 3.46Å; T84-S87 PolarHBondContact O-N 2.94Å; T84-R88 WeakPolarHBondContact O-CG 3.14Å; T84-R88 PolarHBondContact O-N 2.83Å
85	A	98.3	Very high	98.6	Very high	74 Å²	74	38.6 Å²	38.6	61%	0.612	20%	0.196	S	C	*	.	H	α-helix	trans	-66.1	-48	179.2	0	0	0	0	0	111.7	M83 S87 R88 S89	M83-A85 VanDerWaalsContact C-N 3.34Å; M83-A85 PolarHBondContact O-N 2.82Å; A85-S87 VanDerWaalsContact C-N 3.3Å; A85-S87 PolarHBondContact O-N 2.91Å; A85-R88 PolarHBondContact O-N 3.49Å; A85-S89 PolarHBondContact O-N 3.18Å; A85-S89 VanDerWaalsContact O-N 3.09Å
86	D	98.5	Very high	98.6	Very high	13 Å²	13	42.8 Å²	42.8	7%	0.07	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-42.9	175.6	-69.7	11.8	0	0	0	110.8	M83 R88 S89 Q90 R132 L134 G135 C136	M83-D86 HydrophobicContact CB-CB 4.16Å; M83-D86 PolarHBondContact O-N 3.25Å; D86-R88 PolarHBondContact O-N 3.36Å; D86-S89 WeakPolarHBondContact O-CB 3.34Å; D86-S89 PolarHBondContact O-N 2.9Å; D86-S89 VanDerWaalsContact O-N 3.15Å; D86-Q90 PolarHBondContact O-N 3.42Å; D86-R132 IonicContact OD1-CZ 2.85Å; D86-R132 IonicContact OD1-NH1 3.73Å; D86-R132 IonicContact OD1-NH2 3.39Å; D86-R132 PolarHBondContact OD1-NH2 3.02Å; D86-R132 IonicContact OD2-CZ 3.14Å; D86-R132 IonicContact OD2-NH1 3.62Å; D86-R132 PolarHBondContact OD2-NH1 3.43Å; D86-R132 IonicContact OD2-NH2 2.85Å; D86-R132 PolarHBondContact OD2-NH2 3.22Å; D86-R132 VanDerWaalsContact OD2-NH2 3.14Å; D86-L134 HydrophobicContact CB-CB 4.2Å; D86-L134 HydrophobicContact CB-CD2 4.24Å; D86-L134 WeakPolarHBondContact OD2-CA 3.43Å; D86-G135 PolarHBondContact OD2-N 2.85Å; D86-C136 HydrophobicContact CB-CB 4.26Å
87	S	98.6	Very high	98.6	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-55.6	-49.1	176.6	-69.9	0	0	0	0	112.4	M83 T84 A85 S89 Q90 V91 C136	M83-S87 WeakPolarHBondContact O-CB 3.48Å; M83-S87 PolarHBondContact O-N 3.19Å; M83-S87 PolarHBondContact O-OG 2.69Å; T84-S87 WeakPolarHBondContact O-CB 3.46Å; T84-S87 PolarHBondContact O-N 2.94Å; A85-S87 VanDerWaalsContact C-N 3.3Å; A85-S87 PolarHBondContact O-N 2.91Å; S87-S89 VanDerWaalsContact C-N 3.33Å; S87-S89 PolarHBondContact O-N 3.05Å; S87-Q90 PolarHBondContact O-N 2.6Å; S87-V91 VanDerWaalsContact O-CG2 3.3Å; S87-V91 WeakPolarHBondContact O-CG2 3.33Å; S87-V91 PolarHBondContact O-N 3.29Å; S87-C136 WeakPolarHBondContact OG-CB 3.39Å
88	R	98.6	Very high	98.6	Very high	146 Å²	146	43.4 Å²	43.4	55%	0.551	21%	0.212	S	C	*	.	H	α-helix	trans	-63.3	-39.9	177.7	-72.1	177.7	179	176.9	-0.8	111.7	T84 A85 D86 V91 Q92	T84-R88 WeakPolarHBondContact O-CG 3.14Å; T84-R88 PolarHBondContact O-N 2.83Å; A85-R88 PolarHBondContact O-N 3.49Å; D86-R88 PolarHBondContact O-N 3.36Å; R88-V91 PolarHBondContact O-N 3.21Å; R88-Q92 WeakPolarHBondContact O-CG 3.27Å; R88-Q92 PolarHBondContact O-N 2.63Å
89	S	98.7	Very high	98.6	Very high	70 Å²	70	46.5 Å²	46.5	49%	0.49	24%	0.238	S	C	.	.	H	α-helix	trans	-60.5	-47.4	176.1	-174.4	0	0	0	0	111.7	A85 D86 S87 V91 Q92 R93	A85-S89 PolarHBondContact O-N 3.18Å; A85-S89 VanDerWaalsContact O-N 3.09Å; D86-S89 WeakPolarHBondContact O-CB 3.34Å; D86-S89 PolarHBondContact O-N 2.9Å; D86-S89 VanDerWaalsContact O-N 3.15Å; S87-S89 VanDerWaalsContact C-N 3.33Å; S87-S89 PolarHBondContact O-N 3.05Å; S89-V91 PolarHBondContact O-N 3Å; S89-Q92 PolarHBondContact O-N 3.15Å; S89-R93 PolarHBondContact O-N 3.41Å
90	Q	98.8	Very high	98.6	Very high	8 Å²	8	48.3 Å²	48.3	4%	0.037	25%	0.247	C	C	.	.	H	α-helix	trans	-66.3	-37.5	179.4	-162.9	175.2	62.8	0	0	112.2	M80 D86 S87 R93 A94 I118 S122 L134 C136 M138	M80-Q90 HydrophobicContact CE-CB 4.15Å; M80-Q90 VanDerWaalsContact CE-OE1 3.31Å; D86-Q90 PolarHBondContact O-N 3.42Å; S87-Q90 PolarHBondContact O-N 2.6Å; Q90-R93 PolarHBondContact O-N 3.1Å; Q90-A94 WeakPolarHBondContact O-CB 3.46Å; Q90-A94 PolarHBondContact O-N 2.95Å; Q90-I118 HydrophobicContact CG-CG2 3.79Å; Q90-S122 PolarHBondContact NE2-OG 2.87Å; Q90-L134 HydrophobicContact CB-CD1 4.22Å; Q90-C136 PolarHBondContact OE1-SG 3.17Å; Q90-C136 VanDerWaalsContact OE1-SG 3.39Å; Q90-M138 HydrophobicContact CB-CE 4.22Å; Q90-M138 HydrophobicContact CG-CE 3.84Å
91	V	98.9	Very high	98.6	Very high	2 Å²	2	50 Å²	50	1%	0.012	25%	0.253	C	S	.	.	H	α-helix	trans	-60.2	-44.2	172.7	166.8	0	0	0	0	111.6	F70 I72 M80 S87 R88 S89 R93 A94 R95 M138	F70-V91 HydrophobicContact CB-CG1 3.87Å; F70-V91 HydrophobicContact CB-CG2 4.19Å; F70-V91 HydrophobicContact CD1-CG1 4.3Å; F70-V91 HydrophobicContact CD2-CG2 3.77Å; F70-V91 HydrophobicContact CE2-CG2 4.35Å; F70-V91 HydrophobicContact CG-CG1 4.02Å; F70-V91 HydrophobicContact CG-CG2 3.97Å; I72-V91 HydrophobicContact CD1-CG1 3.93Å; M80-V91 HydrophobicContact CG-CG2 3.5Å; M80-V91 HydrophobicContact SD-CG2 3.79Å; S87-V91 VanDerWaalsContact O-CG2 3.3Å; S87-V91 WeakPolarHBondContact O-CG2 3.33Å; S87-V91 PolarHBondContact O-N 3.29Å; R88-V91 PolarHBondContact O-N 3.21Å; S89-V91 PolarHBondContact O-N 3Å; V91-R93 VanDerWaalsContact C-N 3.31Å; V91-R93 PolarHBondContact O-N 2.79Å; V91-A94 PolarHBondContact O-N 2.89Å; V91-R95 WeakPolarHBondContact O-CG 3.47Å; V91-R95 PolarHBondContact O-N 3.28Å; V91-M138 HydrophobicContact CG2-CE 4.1Å
92	Q	98.8	Very high	98.6	Very high	117 Å²	117	54.9 Å²	54.9	55%	0.547	28%	0.275	S	S	.	.	H	α-helix	trans	-64.9	-38	177.2	-65.2	-65	51.5	0	0	111.7	R88 S89 R95 Y96	R88-Q92 WeakPolarHBondContact O-CG 3.27Å; R88-Q92 PolarHBondContact O-N 2.63Å; S89-Q92 PolarHBondContact O-N 3.15Å; Q92-R95 PolarHBondContact O-N 2.93Å; Q92-R95 VanDerWaalsContact OE1-NH1 3.12Å; Q92-Y96 WeakPolarHBondContact O-CB 3.4Å; Q92-Y96 PolarHBondContact O-N 3.36Å
93	R	98.8	Very high	98.6	Very high	97 Å²	97	64.3 Å²	64.3	37%	0.366	31%	0.311	S	S	.	.	H	α-helix	trans	-65.1	-40.5	173.8	-171.8	56.5	179.7	-113.8	2.5	112.2	S89 Q90 V91 Y96 E97 I118 I121	S89-R93 PolarHBondContact O-N 3.41Å; Q90-R93 PolarHBondContact O-N 3.1Å; V91-R93 VanDerWaalsContact C-N 3.31Å; V91-R93 PolarHBondContact O-N 2.79Å; R93-Y96 PolarHBondContact O-N 2.83Å; R93-E97 HydrophobicContact CG-CG 4.38Å; R93-E97 IonicContact CZ-OE1 2.7Å; R93-E97 VanDerWaalsContact CZ-OE1 3.24Å; R93-E97 IonicContact NE-OE1 3.81Å; R93-E97 PolarHBondContact NE-OE1 3.01Å; R93-E97 IonicContact NH2-OE1 3.83Å; R93-E97 PolarHBondContact NH2-OE1 3.33Å; R93-E97 WeakPolarHBondContact O-CG 3.43Å; R93-E97 PolarHBondContact O-N 3.46Å; R93-I118 HydrophobicContact CB-CD1 4.49Å; R93-I118 HydrophobicContact CG-CD1 4.23Å; R93-I121 HydrophobicContact CG-CD1 3.87Å
94	A	98.9	Very high	98.7	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62	-45.4	176.2	0	0	0	0	0	112.3	I72 Q90 V91 Y96 E97 A98 L114 I118 M138	I72-A94 HydrophobicContact CD1-CB 4.08Å; I72-A94 HydrophobicContact CG2-CB 4.09Å; Q90-A94 WeakPolarHBondContact O-CB 3.46Å; Q90-A94 PolarHBondContact O-N 2.95Å; V91-A94 PolarHBondContact O-N 2.89Å; A94-Y96 VanDerWaalsContact C-N 3.33Å; A94-Y96 PolarHBondContact O-N 3.37Å; A94-E97 PolarHBondContact O-N 2.94Å; A94-A98 VanDerWaalsContact O-CB 3.3Å; A94-A98 WeakPolarHBondContact O-CB 3.34Å; A94-A98 PolarHBondContact O-N 3.02Å; A94-L114 HydrophobicContact CB-CD1 4.31Å; A94-I118 HydrophobicContact CB-CD1 3.94Å; A94-I118 HydrophobicContact CB-CG1 4.1Å; A94-M138 HydrophobicContact CB-CE 4.12Å; A94-M138 HydrophobicContact CB-SD 4.38Å
95	R	98.9	Very high	98.7	Very high	87 Å²	87	70.6 Å²	70.6	33%	0.328	33%	0.327	S	S	.	.	H	α-helix	trans	-58.8	-44.5	174.3	-73.6	169.6	172.2	166.2	-2.8	112.1	K71 I72 V91 Q92 A99	K71-R95 PolarHBondContact O-NE 3.5Å; K71-R95 PolarHBondContact O-NH2 2.9Å; I72-R95 HydrophobicContact CD1-CG 4.29Å; I72-R95 HydrophobicContact CG2-CG 4.13Å; V91-R95 WeakPolarHBondContact O-CG 3.47Å; V91-R95 PolarHBondContact O-N 3.28Å; Q92-R95 PolarHBondContact O-N 2.93Å; Q92-R95 VanDerWaalsContact OE1-NH1 3.12Å; R95-A99 WeakPolarHBondContact O-CB 3.44Å; R95-A99 PolarHBondContact O-N 3.43Å
96	Y	98.9	Very high	98.7	Very high	138 Å²	138	70.1 Å²	70.1	54%	0.541	33%	0.33	S	S	.	.	H	α-helix	trans	-61.5	-50.2	177.5	172.7	-94.3	0	0	0	112.2	Q92 R93 A94 A98 A99 N100	Q92-Y96 WeakPolarHBondContact O-CB 3.4Å; Q92-Y96 PolarHBondContact O-N 3.36Å; R93-Y96 PolarHBondContact O-N 2.83Å; A94-Y96 VanDerWaalsContact C-N 3.33Å; A94-Y96 PolarHBondContact O-N 3.37Å; Y96-A98 VanDerWaalsContact C-N 3.34Å; Y96-A98 PolarHBondContact O-N 2.94Å; Y96-A99 PolarHBondContact O-N 3.31Å; Y96-N100 WeakPolarHBondContact O-CB 3.3Å; Y96-N100 PolarHBondContact O-N 3.24Å
97	E	98.8	Very high	98.6	Very high	16 Å²	16	75.6 Å²	75.6	8%	0.075	35%	0.35	C	S	.	.	H	α-helix	trans	-65.2	-38.7	-178.7	-64.7	-72	162.6	0	0	111.4	R93 A94 N100 W101 R117 I121	R93-E97 HydrophobicContact CG-CG 4.38Å; R93-E97 IonicContact CZ-OE1 2.7Å; R93-E97 VanDerWaalsContact CZ-OE1 3.24Å; R93-E97 IonicContact NE-OE1 3.81Å; R93-E97 PolarHBondContact NE-OE1 3.01Å; R93-E97 IonicContact NH2-OE1 3.83Å; R93-E97 PolarHBondContact NH2-OE1 3.33Å; R93-E97 WeakPolarHBondContact O-CG 3.43Å; R93-E97 PolarHBondContact O-N 3.46Å; A94-E97 PolarHBondContact O-N 2.94Å; E97-N100 PolarHBondContact O-N 2.88Å; E97-W101 WeakPolarHBondContact O-CB 3.36Å; E97-W101 PolarHBondContact O-N 2.89Å; E97-R117 HydrophobicContact CB-CG 4.1Å; E97-R117 HydrophobicContact CG-CG 3.9Å; E97-R117 IonicContact OE1-NE 2.6Å; E97-R117 IonicContact OE1-NH2 3.59Å; E97-R117 IonicContact OE2-CZ 3.22Å; E97-R117 IonicContact OE2-NE 3.48Å; E97-R117 PolarHBondContact OE2-NE 3.31Å; E97-R117 IonicContact OE2-NH2 3.29Å; E97-I121 HydrophobicContact CG-CD1 4.1Å
98	A	98.8	Very high	98.6	Very high	1 Å²	1	78.2 Å²	78.2	1%	0.008	36%	0.362	C	S	.	.	H	α-helix	trans	-64.9	-44.9	176	0	0	0	0	0	112.6	I72 T73 A94 Y96 W101 K102 I109 L114	I72-A98 HydrophobicContact CG2-CB 4.19Å; T73-A98 HydrophobicContact CG2-CB 3.55Å; A94-A98 VanDerWaalsContact O-CB 3.3Å; A94-A98 WeakPolarHBondContact O-CB 3.34Å; A94-A98 PolarHBondContact O-N 3.02Å; Y96-A98 VanDerWaalsContact C-N 3.34Å; Y96-A98 PolarHBondContact O-N 2.94Å; A98-W101 WeakPolarHBondContact O-CB 3.29Å; A98-W101 PolarHBondContact O-N 2.91Å; A98-K102 PolarHBondContact O-N 2.79Å; A98-I109 HydrophobicContact CB-CG2 3.71Å; A98-L114 HydrophobicContact CB-CD1 4.2Å
99	A	98.7	Very high	98.6	Very high	65 Å²	65	71.6 Å²	71.6	54%	0.537	34%	0.338	S	S	.	.	H	α-helix	trans	-65.2	-41.5	176.3	0	0	0	0	0	111.9	R95 Y96 W101 K102 Y103	R95-A99 WeakPolarHBondContact O-CB 3.44Å; R95-A99 PolarHBondContact O-N 3.43Å; Y96-A99 PolarHBondContact O-N 3.31Å; A99-W101 VanDerWaalsContact C-N 3.32Å; A99-W101 PolarHBondContact O-N 3.48Å; A99-K102 PolarHBondContact O-N 2.95Å; A99-Y103 PolarHBondContact O-N 2.81Å
100	N	98.8	Very high	98.6	Very high	37 Å²	37	69.6 Å²	69.6	20%	0.198	32%	0.323	C	S	.	.	H	α-helix	trans	-64.5	-36.5	176.8	-175.4	43.5	0	0	0	112.1	Y96 E97 Y103 K104	Y96-N100 WeakPolarHBondContact O-CB 3.3Å; Y96-N100 PolarHBondContact O-N 3.24Å; E97-N100 PolarHBondContact O-N 2.88Å; N100-Y103 PolarHBondContact O-N 2.94Å; N100-K104 WeakPolarHBondContact O-CB 2.98Å; N100-K104 WeakPolarHBondContact O-CG 3.22Å; N100-K104 PolarHBondContact O-N 3.46Å; N100-K104 VanDerWaalsContact OD1-CE 3.29Å; N100-K104 WeakPolarHBondContact OD1-CE 2.88Å
101	W	98.8	Very high	98.6	Very high	37 Å²	37	69.4 Å²	69.4	14%	0.14	32%	0.323	C	S	.	.	H	α-helix	trans	-58.7	-53.1	172.6	179.8	-76.8	0	0	0	111.2	E97 A98 A99 Y103 K104 Y105 Y107 I109 M113	E97-W101 WeakPolarHBondContact O-CB 3.36Å; E97-W101 PolarHBondContact O-N 2.89Å; A98-W101 WeakPolarHBondContact O-CB 3.29Å; A98-W101 PolarHBondContact O-N 2.91Å; A99-W101 VanDerWaalsContact C-N 3.32Å; A99-W101 PolarHBondContact O-N 3.48Å; W101-Y103 VanDerWaalsContact C-N 3.28Å; W101-Y103 PolarHBondContact O-N 3.03Å; W101-K104 PolarHBondContact O-N 3.25Å; W101-K104 VanDerWaalsContact O-N 3.1Å; W101-Y105 HydrophobicContact CB-CD2 4.34Å; W101-Y105 AromaticContact CD1-CD2 3.95Å; W101-Y105 AromaticContact CD2-CD2 3.45Å; W101-Y105 HydrophobicContact CD2-CD2 3.45Å; W101-Y105 VanDerWaalsContact CD2-CD2 3.45Å; W101-Y105 AromaticContact CD2-CE2 3.73Å; W101-Y105 HydrophobicContact CD2-CE2 3.73Å; W101-Y105 AromaticContact CE2-CD2 3.64Å; W101-Y105 AromaticContact CE3-CD2 3.86Å; W101-Y105 HydrophobicContact CE3-CD2 3.86Å; W101-Y105 AromaticContact CE3-CE2 3.61Å; W101-Y105 HydrophobicContact CE3-CE2 3.61Å; W101-Y105 AromaticContact CG-CD2 3.68Å; W101-Y105 HydrophobicContact CG-CD2 3.68Å; W101-Y105 HydrophobicContact CG-CE2 4.24Å; W101-Y105 HydrophobicContact CH2-CE2 4.4Å; W101-Y105 HydrophobicContact CZ2-CD2 4.21Å; W101-Y105 HydrophobicContact CZ3-CD2 4.38Å; W101-Y105 AromaticContact CZ3-CE2 3.96Å; W101-Y105 HydrophobicContact CZ3-CE2 3.96Å; W101-Y105 AromaticContact NE1-CD2 3.91Å; W101-Y105 VanDerWaalsContact O-CD2 3.3Å; W101-Y105 WeakPolarHBondContact O-CD2 3.46Å; W101-Y105 PolarHBondContact O-N 3.25Å; W101-Y107 HydrophobicContact CZ2-CE2 4.26Å; W101-Y107 AromaticContact CZ2-CZ 3.84Å; W101-Y107 WeakPolarHBondContact CZ2-OH 3.4Å; W101-Y107 AromaticContact NE1-CE2 3.73Å; W101-Y107 AromaticContact NE1-CZ 3.71Å; W101-I109 HydrophobicContact CB-CB 3.97Å; W101-I109 HydrophobicContact CB-CD1 3.9Å; W101-I109 HydrophobicContact CB-CG1 4.19Å; W101-I109 HydrophobicContact CD2-CB 4Å; W101-I109 HydrophobicContact CD2-CD1 3.76Å; W101-I109 HydrophobicContact CD2-CG1 3.58Å; W101-I109 HydrophobicContact CE3-CD1 3.67Å; W101-I109 HydrophobicContact CE3-CG1 3.9Å; W101-I109 HydrophobicContact CG-CB 3.6Å; W101-I109 HydrophobicContact CG-CD1 3.88Å; W101-I109 HydrophobicContact CG-CG1 3.71Å; W101-I109 HydrophobicContact CZ3-CD1 4.43Å; W101-M113 HydrophobicContact CH2-CB 4.12Å; W101-M113 HydrophobicContact CH2-CE 3.77Å; W101-M113 HydrophobicContact CH2-CG 4.05Å; W101-M113 HydrophobicContact CZ3-CB 4.24Å; W101-M113 HydrophobicContact CZ3-CE 3.85Å
102	K	98.4	Very high	98.6	Very high	104 Å²	104	71.5 Å²	71.5	45%	0.452	33%	0.334	S	S	.	.	H	α-helix	trans	-58.8	-41.1	179.1	-173.7	173.2	-169.6	163.6	0	112.1	A98 A99 G106 Y107 E108	A98-K102 PolarHBondContact O-N 2.79Å; A99-K102 PolarHBondContact O-N 2.95Å; K102-G106 VanDerWaalsContact O-CA 3.29Å; K102-G106 WeakPolarHBondContact O-CA 3.49Å; K102-G106 PolarHBondContact O-N 3.47Å; K102-Y107 WeakPolarHBondContact CA-O 3.42Å; K102-E108 WeakPolarHBondContact CD-OE1 3.42Å; K102-E108 WeakPolarHBondContact CE-OE1 3.43Å; K102-E108 IonicContact NZ-OE1 2.67Å; K102-E108 PolarHBondContact NZ-OE1 3.31Å
103	Y	98.4	Very high	98.6	Very high	200 Å²	200	68.9 Å²	68.9	78%	0.784	32%	0.322	S	S	*	.	H	α-helix	trans	-61.2	-42.7	175.6	175.2	-104.7	0	0	0	112.7	A99 N100 W101	A99-Y103 PolarHBondContact O-N 2.81Å; N100-Y103 PolarHBondContact O-N 2.94Å; W101-Y103 VanDerWaalsContact C-N 3.28Å; W101-Y103 PolarHBondContact O-N 3.03Å
104	K	98.5	Very high	98.6	Very high	130 Å²	130	64.3 Å²	64.3	57%	0.565	31%	0.305	S	S	*	.	H	α-helix	trans	-80	-38	-176.2	-73.5	-179.5	174.9	-172.8	0	114.1	N100 W101	N100-K104 WeakPolarHBondContact O-CB 2.98Å; N100-K104 WeakPolarHBondContact O-CG 3.22Å; N100-K104 PolarHBondContact O-N 3.46Å; N100-K104 VanDerWaalsContact OD1-CE 3.29Å; N100-K104 WeakPolarHBondContact OD1-CE 2.88Å; W101-K104 PolarHBondContact O-N 3.25Å; W101-K104 VanDerWaalsContact O-N 3.1Å
105	Y	98.4	Very high	98.5	Very high	137 Å²	137	64.3 Å²	64.3	54%	0.537	31%	0.305	S	S	.	.	H	α-helix	trans	-111.4	-12.3	-169	-54.7	-63.7	0	0	0	113.5	W101 Y107	W101-Y105 HydrophobicContact CB-CD2 4.34Å; W101-Y105 AromaticContact CD1-CD2 3.95Å; W101-Y105 AromaticContact CD2-CD2 3.45Å; W101-Y105 HydrophobicContact CD2-CD2 3.45Å; W101-Y105 VanDerWaalsContact CD2-CD2 3.45Å; W101-Y105 AromaticContact CD2-CE2 3.73Å; W101-Y105 HydrophobicContact CD2-CE2 3.73Å; W101-Y105 AromaticContact CE2-CD2 3.64Å; W101-Y105 AromaticContact CE3-CD2 3.86Å; W101-Y105 HydrophobicContact CE3-CD2 3.86Å; W101-Y105 AromaticContact CE3-CE2 3.61Å; W101-Y105 HydrophobicContact CE3-CE2 3.61Å; W101-Y105 AromaticContact CG-CD2 3.68Å; W101-Y105 HydrophobicContact CG-CD2 3.68Å; W101-Y105 HydrophobicContact CG-CE2 4.24Å; W101-Y105 HydrophobicContact CH2-CE2 4.4Å; W101-Y105 HydrophobicContact CZ2-CD2 4.21Å; W101-Y105 HydrophobicContact CZ3-CD2 4.38Å; W101-Y105 AromaticContact CZ3-CE2 3.96Å; W101-Y105 HydrophobicContact CZ3-CE2 3.96Å; W101-Y105 AromaticContact NE1-CD2 3.91Å; W101-Y105 VanDerWaalsContact O-CD2 3.3Å; W101-Y105 WeakPolarHBondContact O-CD2 3.46Å; W101-Y105 PolarHBondContact O-N 3.25Å; Y105-Y107 VanDerWaalsContact C-N 3.32Å; Y105-Y107 WeakPolarHBondContact O-CD1 2.95Å; Y105-Y107 PolarHBondContact O-N 3.05Å
106	G	98.3	Very high	98.5	Very high	65 Å²	65	64 Å²	64	67%	0.67	31%	0.306	S	S	*	.	S	Bend	trans	81.1	0.5	173.1	0	0	0	0	0	115.9	K102	K102-G106 VanDerWaalsContact O-CA 3.29Å; K102-G106 WeakPolarHBondContact O-CA 3.49Å; K102-G106 PolarHBondContact O-N 3.47Å
107	Y	98	Very high	98.5	Very high	127 Å²	127	62.2 Å²	62.2	50%	0.498	30%	0.299	S	S	.	.	S	Bend	trans	-132.4	165.4	176.6	70.4	-82	0	0	0	111.8	W101 K102 Y105 P110	W101-Y107 HydrophobicContact CZ2-CE2 4.26Å; W101-Y107 AromaticContact CZ2-CZ 3.84Å; W101-Y107 WeakPolarHBondContact CZ2-OH 3.4Å; W101-Y107 AromaticContact NE1-CE2 3.73Å; W101-Y107 AromaticContact NE1-CZ 3.71Å; K102-Y107 WeakPolarHBondContact CA-O 3.42Å; Y105-Y107 VanDerWaalsContact C-N 3.32Å; Y105-Y107 WeakPolarHBondContact O-CD1 2.95Å; Y105-Y107 PolarHBondContact O-N 3.05Å; Y107-P110 HydrophobicContact CE2-CG 4.31Å
108	E	98	Very high	98.5	Very high	58 Å²	58	61.6 Å²	61.6	27%	0.271	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-64.9	144.4	178.4	-78.4	-65.1	148.5	0	0	111.7	K102 P110	K102-E108 WeakPolarHBondContact CD-OE1 3.42Å; K102-E108 WeakPolarHBondContact CE-OE1 3.43Å; K102-E108 IonicContact NZ-OE1 2.67Å; K102-E108 PolarHBondContact NZ-OE1 3.31Å; E108-P110 WeakPolarHBondContact O-CD 3.49Å
109	I	98.6	Very high	98.5	Very high	8 Å²	8	61.6 Å²	61.6	4%	0.041	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-70.1	132.9	179.4	-169.1	167.4	0	0	0	110.6	I76 A98 W101 M113 L114	I76-I109 HydrophobicContact CD1-CG2 3.81Å; I76-I109 WeakPolarHBondContact CD1-O 3.31Å; A98-I109 HydrophobicContact CB-CG2 3.71Å; W101-I109 HydrophobicContact CB-CB 3.97Å; W101-I109 HydrophobicContact CB-CD1 3.9Å; W101-I109 HydrophobicContact CB-CG1 4.19Å; W101-I109 HydrophobicContact CD2-CB 4Å; W101-I109 HydrophobicContact CD2-CD1 3.76Å; W101-I109 HydrophobicContact CD2-CG1 3.58Å; W101-I109 HydrophobicContact CE3-CD1 3.67Å; W101-I109 HydrophobicContact CE3-CG1 3.9Å; W101-I109 HydrophobicContact CG-CB 3.6Å; W101-I109 HydrophobicContact CG-CD1 3.88Å; W101-I109 HydrophobicContact CG-CG1 3.71Å; W101-I109 HydrophobicContact CZ3-CD1 4.43Å; I109-M113 HydrophobicContact CD1-CB 4.47Å; I109-M113 HydrophobicContact CG1-CB 4.11Å; I109-L114 HydrophobicContact CD1-CB 3.86Å; I109-L114 HydrophobicContact CD1-CD1 4.22Å; I109-L114 HydrophobicContact CG1-CB 4.2Å; I109-L114 HydrophobicContact CG2-CB 4.25Å
110	P	98.5	Very high	98.5	Very high	28 Å²	28	61.8 Å²	61.8	18%	0.182	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-63.1	145.8	168.8	-26.7	37.9	0	0	0	112.2	Y107 E108 D112 M113 L114	Y107-P110 HydrophobicContact CE2-CG 4.31Å; E108-P110 WeakPolarHBondContact O-CD 3.49Å; P110-D112 VanDerWaalsContact C-N 3.29Å; P110-D112 WeakPolarHBondContact CB-OD1 3.23Å; P110-D112 PolarHBondContact O-N 3.42Å; P110-M113 HydrophobicContact CB-CB 4.26Å; P110-M113 HydrophobicContact CB-CG 4.15Å; P110-M113 HydrophobicContact CG-CG 4.33Å; P110-M113 PolarHBondContact O-N 2.87Å; P110-L114 PolarHBondContact O-N 2.97Å
111	V	98.4	Very high	98.5	Very high	4 Å²	4	61 Å²	61	2%	0.024	28%	0.283	C	S	.	.	H	α-helix	trans	-61	-39.3	-175.7	-175.4	0	0	0	0	111.7	I76 C115 L140 Q150 Y152	I76-V111 HydrophobicContact CD1-CG2 4.25Å; I76-V111 HydrophobicContact CG1-CG2 4.21Å; V111-C115 WeakPolarHBondContact O-CB 3.11Å; V111-C115 PolarHBondContact O-N 3.01Å; V111-L140 HydrophobicContact CG1-CB 3.84Å; V111-Q150 HydrophobicContact CB-CB 4.35Å; V111-Q150 HydrophobicContact CG2-CB 4.47Å; V111-Y152 HydrophobicContact CB-CD2 4.39Å; V111-Y152 HydrophobicContact CG1-CD2 3.95Å
112	D	98.3	Very high	98.5	Very high	46 Å²	46	59.4 Å²	59.4	25%	0.246	28%	0.278	C	S	.	.	H	α-helix	trans	-64	-42.9	177.5	66.6	-52.4	0	0	0	111.5	P110 C115 K116 Y152	P110-D112 VanDerWaalsContact C-N 3.29Å; P110-D112 WeakPolarHBondContact CB-OD1 3.23Å; P110-D112 PolarHBondContact O-N 3.42Å; D112-C115 PolarHBondContact O-N 2.89Å; D112-K116 WeakPolarHBondContact O-CB 3.3Å; D112-K116 PolarHBondContact O-N 3.15Å; D112-Y152 HydrophobicContact CB-CD2 4.44Å; D112-Y152 HydrophobicContact CB-CE1 3.84Å; D112-Y152 HydrophobicContact CB-CE2 3.73Å; D112-Y152 WeakPolarHBondContact CB-OH 3.35Å
113	M	98.6	Very high	98.5	Very high	62 Å²	62	58 Å²	58	31%	0.305	27%	0.272	S	S	.	.	H	α-helix	trans	-68.2	-39.4	178.8	-70.9	-57.2	-65.6	0	0	112.1	W101 I109 P110 K116 R117	W101-M113 HydrophobicContact CH2-CB 4.12Å; W101-M113 HydrophobicContact CH2-CE 3.77Å; W101-M113 HydrophobicContact CH2-CG 4.05Å; W101-M113 HydrophobicContact CZ3-CB 4.24Å; W101-M113 HydrophobicContact CZ3-CE 3.85Å; I109-M113 HydrophobicContact CD1-CB 4.47Å; I109-M113 HydrophobicContact CG1-CB 4.11Å; P110-M113 HydrophobicContact CB-CB 4.26Å; P110-M113 HydrophobicContact CB-CG 4.15Å; P110-M113 HydrophobicContact CG-CG 4.33Å; P110-M113 PolarHBondContact O-N 2.87Å; M113-K116 HydrophobicContact SD-CD 4.45Å; M113-R117 WeakPolarHBondContact O-CB 3.46Å; M113-R117 PolarHBondContact O-N 3.15Å
114	L	98.8	Very high	98.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.9	-46.7	173	179	62.1	0	0	0	111.1	I72 I76 A94 A98 I109 P110 K116 R117 I118 L140	I72-L114 HydrophobicContact CG2-CD2 3.87Å; I76-L114 HydrophobicContact CD1-CD2 3.98Å; I76-L114 HydrophobicContact CG2-CD2 3.98Å; A94-L114 HydrophobicContact CB-CD1 4.31Å; A98-L114 HydrophobicContact CB-CD1 4.2Å; I109-L114 HydrophobicContact CD1-CB 3.86Å; I109-L114 HydrophobicContact CD1-CD1 4.22Å; I109-L114 HydrophobicContact CG1-CB 4.2Å; I109-L114 HydrophobicContact CG2-CB 4.25Å; P110-L114 PolarHBondContact O-N 2.97Å; L114-K116 PolarHBondContact O-N 3.48Å; L114-R117 PolarHBondContact O-N 3.45Å; L114-I118 HydrophobicContact CD1-CG1 4.47Å; L114-I118 WeakPolarHBondContact O-CG1 3.31Å; L114-I118 PolarHBondContact O-N 3.06Å; L114-L140 HydrophobicContact CD2-CD1 4.21Å; L114-L140 HydrophobicContact CD2-CD2 4.04Å; L114-L140 HydrophobicContact CG-CD1 4.19Å
115	C	98.7	Very high	98.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-44.5	179.5	-164.6	0	0	0	0	111.5	V111 D112 R117 I118 A119 L140 Y152 Y160	V111-C115 WeakPolarHBondContact O-CB 3.11Å; V111-C115 PolarHBondContact O-N 3.01Å; D112-C115 PolarHBondContact O-N 2.89Å; C115-R117 VanDerWaalsContact C-N 3.34Å; C115-R117 PolarHBondContact O-N 3.42Å; C115-I118 PolarHBondContact O-N 3.48Å; C115-A119 WeakPolarHBondContact O-CB 3.39Å; C115-A119 PolarHBondContact O-N 2.9Å; C115-L140 HydrophobicContact CB-CD1 3.72Å; C115-Y152 HydrophobicContact CB-CD1 4.3Å; C115-Y152 HydrophobicContact CB-CG 4.26Å; C115-Y160 HydrophobicContact CB-CD2 4.11Å
116	K	98.8	Very high	98.4	Very high	82 Å²	82	42.1 Å²	42.1	36%	0.357	22%	0.216	S	C	.	.	H	α-helix	trans	-54.4	-49.7	172.7	-177.2	178.7	-178.1	175.5	0	111.5	D112 M113 L114 I118 A119 D120 Y160	D112-K116 WeakPolarHBondContact O-CB 3.3Å; D112-K116 PolarHBondContact O-N 3.15Å; M113-K116 HydrophobicContact SD-CD 4.45Å; L114-K116 PolarHBondContact O-N 3.48Å; K116-I118 VanDerWaalsContact C-N 3.31Å; K116-I118 PolarHBondContact O-N 2.86Å; K116-A119 WeakPolarHBondContact O-CB 3.39Å; K116-A119 PolarHBondContact O-N 3.09Å; K116-A119 VanDerWaalsContact O-N 3.12Å; K116-D120 VanDerWaalsContact O-CG 3.28Å; K116-D120 PolarHBondContact O-N 3.16Å; K116-Y160 HydrophobicContact CB-CD1 4.43Å; K116-Y160 HydrophobicContact CB-CE1 3.78Å; K116-Y160 HydrophobicContact CB-CE2 3.86Å; K116-Y160 VanDerWaalsContact CB-CZ 3.46Å; K116-Y160 HydrophobicContact CD-CE1 4.49Å; K116-Y160 WeakPolarHBondContact CD-OH 3.19Å; K116-Y160 HydrophobicContact CG-CE1 3.7Å; K116-Y160 WeakPolarHBondContact CG-OH 3.4Å
117	R	98.8	Very high	98.3	Very high	100 Å²	100	45.5 Å²	45.5	38%	0.377	21%	0.214	S	C	.	.	H	α-helix	trans	-61.6	-39.8	-177.9	-177.2	56.4	176.4	159.4	5.2	112.3	E97 M113 L114 C115 I121	E97-R117 HydrophobicContact CB-CG 4.1Å; E97-R117 HydrophobicContact CG-CG 3.9Å; E97-R117 IonicContact OE1-NE 2.6Å; E97-R117 IonicContact OE1-NH2 3.59Å; E97-R117 IonicContact OE2-CZ 3.22Å; E97-R117 IonicContact OE2-NE 3.48Å; E97-R117 PolarHBondContact OE2-NE 3.31Å; E97-R117 IonicContact OE2-NH2 3.29Å; M113-R117 WeakPolarHBondContact O-CB 3.46Å; M113-R117 PolarHBondContact O-N 3.15Å; L114-R117 PolarHBondContact O-N 3.45Å; C115-R117 VanDerWaalsContact C-N 3.34Å; C115-R117 PolarHBondContact O-N 3.42Å; R117-I121 HydrophobicContact CG-CD1 4.27Å; R117-I121 WeakPolarHBondContact O-CD1 3.31Å; R117-I121 VanDerWaalsContact O-CG1 3.28Å; R117-I121 WeakPolarHBondContact O-CG1 3.31Å; R117-I121 PolarHBondContact O-N 3.06Å; R117-I121 VanDerWaalsContact O-N 3.13Å
118	I	98.8	Very high	98.2	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.015	21%	0.206	C	C	.	.	H	α-helix	trans	-69.1	-36.3	175.6	-66	-53.6	0	0	0	112.1	Q90 R93 A94 L114 C115 K116 I121 S122 M138	Q90-I118 HydrophobicContact CG-CG2 3.79Å; R93-I118 HydrophobicContact CB-CD1 4.49Å; R93-I118 HydrophobicContact CG-CD1 4.23Å; A94-I118 HydrophobicContact CB-CD1 3.94Å; A94-I118 HydrophobicContact CB-CG1 4.1Å; L114-I118 HydrophobicContact CD1-CG1 4.47Å; L114-I118 WeakPolarHBondContact O-CG1 3.31Å; L114-I118 PolarHBondContact O-N 3.06Å; C115-I118 PolarHBondContact O-N 3.48Å; K116-I118 VanDerWaalsContact C-N 3.31Å; K116-I118 PolarHBondContact O-N 2.86Å; I118-I121 HydrophobicContact CD1-CD1 4.43Å; I118-I121 PolarHBondContact O-N 2.99Å; I118-S122 WeakPolarHBondContact O-CB 3.23Å; I118-S122 PolarHBondContact O-N 2.83Å; I118-S122 PolarHBondContact O-OG 2.72Å; I118-M138 HydrophobicContact CG2-SD 4.42Å
119	A	98.7	Very high	98.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.4	-45.6	175	0	0	0	0	0	111.4	C115 K116 I121 S122 Q123 C154 G158 Y160	C115-A119 WeakPolarHBondContact O-CB 3.39Å; C115-A119 PolarHBondContact O-N 2.9Å; K116-A119 WeakPolarHBondContact O-CB 3.39Å; K116-A119 PolarHBondContact O-N 3.09Å; K116-A119 VanDerWaalsContact O-N 3.12Å; A119-I121 VanDerWaalsContact C-N 3.32Å; A119-I121 PolarHBondContact O-N 2.8Å; A119-S122 CarbonylContact O-C 3.52Å; A119-S122 WeakPolarHBondContact O-CA 3.39Å; A119-S122 WeakPolarHBondContact O-CB 3.28Å; A119-S122 PolarHBondContact O-N 3.34Å; A119-S122 VanDerWaalsContact O-N 3.08Å; A119-Q123 PolarHBondContact O-N 2.83Å; A119-C154 HydrophobicContact CB-CB 4.16Å; A119-G158 WeakPolarHBondContact CB-O 3.28Å; A119-G158 VanDerWaalsContact O-CA 3.28Å; A119-G158 WeakPolarHBondContact O-CA 3.44Å; A119-Y160 HydrophobicContact CB-CD1 3.71Å; A119-Y160 HydrophobicContact CB-CG 4.09Å
120	D	98.8	Very high	98	Very high	70 Å²	70	48 Å²	48	37%	0.374	24%	0.24	S	C	.	.	H	α-helix	trans	-58.8	-42.1	175.7	-67.6	-19.6	0	0	0	111.6	K116 Q123 V124	K116-D120 VanDerWaalsContact O-CG 3.28Å; K116-D120 PolarHBondContact O-N 3.16Å; D120-Q123 WeakPolarHBondContact O-CB 3.17Å; D120-Q123 PolarHBondContact O-N 3.22Å; D120-V124 PolarHBondContact O-N 3.28Å
121	I	98.5	Very high	97.9	Very high	20 Å²	20	50.2 Å²	50.2	10%	0.103	25%	0.249	C	C	.	.	H	α-helix	trans	-66.2	-40.2	175.9	-67.6	162.2	0	0	0	110.8	R93 E97 R117 I118 A119 Q123 V124 Y125	R93-I121 HydrophobicContact CG-CD1 3.87Å; E97-I121 HydrophobicContact CG-CD1 4.1Å; R117-I121 HydrophobicContact CG-CD1 4.27Å; R117-I121 WeakPolarHBondContact O-CD1 3.31Å; R117-I121 VanDerWaalsContact O-CG1 3.28Å; R117-I121 WeakPolarHBondContact O-CG1 3.31Å; R117-I121 PolarHBondContact O-N 3.06Å; R117-I121 VanDerWaalsContact O-N 3.13Å; I118-I121 HydrophobicContact CD1-CD1 4.43Å; I118-I121 PolarHBondContact O-N 2.99Å; A119-I121 VanDerWaalsContact C-N 3.32Å; A119-I121 PolarHBondContact O-N 2.8Å; I121-Q123 VanDerWaalsContact C-N 3.29Å; I121-Q123 PolarHBondContact O-N 2.93Å; I121-V124 PolarHBondContact O-N 3.49Å; I121-Y125 HydrophobicContact CG2-CE2 4.3Å
122	S	98.3	Very high	97.9	Very high	4 Å²	4	55.5 Å²	55.5	3%	0.028	27%	0.268	C	S	.	.	H	α-helix	trans	-65.1	-35.2	176.8	-56.2	0	0	0	0	111.8	Q90 I118 A119 V124 Y125	Q90-S122 PolarHBondContact NE2-OG 2.87Å; I118-S122 WeakPolarHBondContact O-CB 3.23Å; I118-S122 PolarHBondContact O-N 2.83Å; I118-S122 PolarHBondContact O-OG 2.72Å; A119-S122 CarbonylContact O-C 3.52Å; A119-S122 WeakPolarHBondContact O-CA 3.39Å; A119-S122 WeakPolarHBondContact O-CB 3.28Å; A119-S122 PolarHBondContact O-N 3.34Å; A119-S122 VanDerWaalsContact O-N 3.08Å; S122-V124 VanDerWaalsContact C-N 3.29Å; S122-V124 PolarHBondContact O-N 3.18Å; S122-Y125 WeakPolarHBondContact O-CB 3.26Å; S122-Y125 PolarHBondContact O-N 3.29Å; S122-Y125 VanDerWaalsContact O-N 3.11Å
123	Q	98.3	Very high	97.9	Very high	73 Å²	73	53.5 Å²	53.5	34%	0.341	26%	0.258	S	S	.	.	H	α-helix	trans	-62.1	-34.9	177.2	-173.2	-80	-26.2	0	0	112.1	A119 D120 I121 Y125 T126 Q127	A119-Q123 PolarHBondContact O-N 2.83Å; D120-Q123 WeakPolarHBondContact O-CB 3.17Å; D120-Q123 PolarHBondContact O-N 3.22Å; I121-Q123 VanDerWaalsContact C-N 3.29Å; I121-Q123 PolarHBondContact O-N 2.93Å; Q123-Y125 PolarHBondContact O-N 3.06Å; Q123-T126 PolarHBondContact O-N 3.12Å; Q123-T126 PolarHBondContact O-OG1 2.73Å; Q123-Q127 PolarHBondContact O-N 3.17Å
124	V	98.4	Very high	97.9	Very high	64 Å²	64	51.7 Å²	51.7	39%	0.388	25%	0.25	S	C	.	.	H	α-helix	trans	-57.1	-40.2	174.8	178.1	0	0	0	0	110.9	D120 I121 S122 T126 Q127 N128	D120-V124 PolarHBondContact O-N 3.28Å; I121-V124 PolarHBondContact O-N 3.49Å; S122-V124 VanDerWaalsContact C-N 3.29Å; S122-V124 PolarHBondContact O-N 3.18Å; V124-T126 PolarHBondContact O-N 2.93Å; V124-Q127 PolarHBondContact O-N 2.79Å; V124-N128 WeakPolarHBondContact O-CB 3.4Å; V124-N128 PolarHBondContact O-N 2.82Å; V124-N128 PolarHBondContact O-OD1 3.36Å
125	Y	97.3	Very high	97.8	Very high	57 Å²	57	51.8 Å²	51.8	22%	0.224	25%	0.25	C	S	.	.	H	α-helix	trans	-69.6	-14.1	177.5	-51.6	-40.8	0	0	0	114.1	I121 S122 Q123 M131 L134	I121-Y125 HydrophobicContact CG2-CE2 4.3Å; S122-Y125 WeakPolarHBondContact O-CB 3.26Å; S122-Y125 PolarHBondContact O-N 3.29Å; S122-Y125 VanDerWaalsContact O-N 3.11Å; Q123-Y125 PolarHBondContact O-N 3.06Å; Y125-M131 HydrophobicContact CD1-CG 3.56Å; Y125-M131 HydrophobicContact CD1-SD 4.22Å; Y125-M131 HydrophobicContact CE1-CG 4.32Å; Y125-M131 HydrophobicContact CG-CG 4.3Å; Y125-L134 HydrophobicContact CD2-CG 4.14Å; Y125-L134 HydrophobicContact CE2-CD1 4Å; Y125-L134 HydrophobicContact CE2-CG 3.93Å
126	T	97.4	Very high	97.8	Very high	14 Å²	14	51.8 Å²	51.8	9%	0.086	25%	0.25	C	S	.	.	H	α-helix	trans	-91.9	-13.1	175.9	75.1	0	0	0	0	112.7	T14 V25 Q123 V124 P133 P156	T14-T126 WeakPolarHBondContact CB-O 3.36Å; V25-T126 HydrophobicContact CG2-CG2 3.88Å; Q123-T126 PolarHBondContact O-N 3.12Å; Q123-T126 PolarHBondContact O-OG1 2.73Å; V124-T126 PolarHBondContact O-N 2.93Å; T126-P133 HydrophobicContact CG2-CG 4.23Å; T126-P156 WeakPolarHBondContact CG2-O 3.34Å
127	Q	97.1	Very high	97.8	Very high	136 Å²	136	48 Å²	48	64%	0.636	23%	0.234	S	C	*	.	H	α-helix	trans	-110.4	-28.8	-177	-165.5	169.6	12.1	0	0	112.9	Q123 V124	Q123-Q127 PolarHBondContact O-N 3.17Å; V124-Q127 PolarHBondContact O-N 2.79Å
128	N	96.3	Very high	97.8	Very high	60 Å²	60	43.2 Å²	43.2	32%	0.321	22%	0.216	S	C	.	.			trans	-85.9	135.9	173.1	-77.6	56	0	0	0	110.5	T14 V124 E130 M131	T14-N128 PolarHBondContact OG1-O 3.24Å; V124-N128 WeakPolarHBondContact O-CB 3.4Å; V124-N128 PolarHBondContact O-N 2.82Å; V124-N128 PolarHBondContact O-OD1 3.36Å; N128-E130 WeakPolarHBondContact CB-OE2 3.45Å; N128-E130 PolarHBondContact ND2-OE1 2.96Å; N128-M131 HydrophobicContact CB-SD 3.42Å; N128-M131 WeakPolarHBondContact CB-SD 3.22Å
129	A	95.9	Very high	97.8	Very high	48 Å²	48	43.1 Å²	43.1	40%	0.397	22%	0.215	S	C	.	.	S	Bend	trans	-92.5	-14.2	-171.2	0	0	0	0	0	114	I13 T14 M131	I13-A129 HydrophobicContact CB-CB 4.34Å; I13-A129 HydrophobicContact CD1-CB 4.42Å; T14-A129 WeakPolarHBondContact OG1-CA 3.35Å; A129-M131 VanDerWaalsContact C-N 3.35Å
130	E	96.3	Very high	97.8	Very high	136 Å²	136	43.1 Å²	43.1	64%	0.636	22%	0.215	S	C	*	.	S	Bend	trans	-81.1	-14	-176.8	69.6	-82.6	-165.6	0	0	113.7	N128	N128-E130 WeakPolarHBondContact CB-OE2 3.45Å; N128-E130 PolarHBondContact ND2-OE1 2.96Å
131	M	95.9	Very high	97.8	Very high	75 Å²	75	39.8 Å²	39.8	37%	0.369	20%	0.198	S	C	.	.	S	Bend	trans	-131.6	159.4	176.5	67.9	-87.7	-71.7	0	0	112.2	Y125 N128 A129	Y125-M131 HydrophobicContact CD1-CG 3.56Å; Y125-M131 HydrophobicContact CD1-SD 4.22Å; Y125-M131 HydrophobicContact CE1-CG 4.32Å; Y125-M131 HydrophobicContact CG-CG 4.3Å; N128-M131 HydrophobicContact CB-SD 3.42Å; N128-M131 WeakPolarHBondContact CB-SD 3.22Å; A129-M131 VanDerWaalsContact C-N 3.35Å
132	R	97.9	Very high	97.8	Very high	115 Å²	115	38.8 Å²	38.8	43%	0.434	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-91.7	152.1	173.8	62.9	172.2	-175.3	78.1	-1	111.2	D86	D86-R132 IonicContact OD1-CZ 2.85Å; D86-R132 IonicContact OD1-NH1 3.73Å; D86-R132 IonicContact OD1-NH2 3.39Å; D86-R132 PolarHBondContact OD1-NH2 3.02Å; D86-R132 IonicContact OD2-CZ 3.14Å; D86-R132 IonicContact OD2-NH1 3.62Å; D86-R132 PolarHBondContact OD2-NH1 3.43Å; D86-R132 IonicContact OD2-NH2 2.85Å; D86-R132 PolarHBondContact OD2-NH2 3.22Å; D86-R132 VanDerWaalsContact OD2-NH2 3.14Å
133	P	98.2	Very high	97.9	Very high	4 Å²	4	40.1 Å²	40.1	3%	0.026	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-56.1	149.8	162.4	-22.9	33.4	0	0	0	111.6	V25 A28 T126 P156	V25-P133 HydrophobicContact CG2-CG 4.17Å; A28-P133 HydrophobicContact CB-CB 4.02Å; T126-P133 HydrophobicContact CG2-CG 4.23Å; P133-P156 HydrophobicContact CB-CB 4.33Å
134	L	98.4	Very high	97.8	Very high	25 Å²	25	38.2 Å²	38.2	13%	0.131	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-71.9	130.9	174.2	-62.4	-175.8	0	0	0	109.8	D86 Q90 Y125 C136 P156	D86-L134 HydrophobicContact CB-CB 4.2Å; D86-L134 HydrophobicContact CB-CD2 4.24Å; D86-L134 WeakPolarHBondContact OD2-CA 3.43Å; Q90-L134 HydrophobicContact CB-CD1 4.22Å; Y125-L134 HydrophobicContact CD2-CG 4.14Å; Y125-L134 HydrophobicContact CE2-CD1 4Å; Y125-L134 HydrophobicContact CE2-CG 3.93Å; L134-C136 PolarHBondContact O-N 3.5Å; L134-P156 WeakPolarHBondContact O-CB 3.43Å; L134-P156 WeakPolarHBondContact O-CG 3.35Å
135	G	98.1	Very high	97.6	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.01	22%	0.218	C	C	.	.	S	Bend	trans	-82.1	40.3	-178	0	0	0	0	0	113.1	M83 D86	M83-G135 PolarHBondContact N-O 2.96Å; D86-G135 PolarHBondContact OD2-N 2.85Å
136	C	98.4	Very high	97.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	156.4	-177.7	64.2	0	0	0	0	111.7	M80 T81 D86 S87 Q90 L134 P156	M80-C136 HydrophobicContact CE-CB 4.15Å; T81-C136 CarbonylContact O-C 3.58Å; T81-C136 WeakPolarHBondContact O-CA 3.4Å; D86-C136 HydrophobicContact CB-CB 4.26Å; S87-C136 WeakPolarHBondContact OG-CB 3.39Å; Q90-C136 PolarHBondContact OE1-SG 3.17Å; Q90-C136 VanDerWaalsContact OE1-SG 3.39Å; L134-C136 PolarHBondContact O-N 3.5Å; C136-P156 WeakPolarHBondContact O-CG 3.46Å
137	C	98.4	Very high	97.4	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.02	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.2	174.8	180	0	0	0	0	108.5	I32 T81 C154 A168	I32-C137 HydrophobicContact CD1-CB 3.77Å; I32-C137 HydrophobicContact CG1-CB 4.3Å; I32-C137 HydrophobicContact CG2-CB 4.43Å; T81-C137 PolarHBondContact N-O 3.34Å; T81-C137 PolarHBondContact O-N 3.39Å; C137-C154 PolarHBondContact SG-O 3.44Å; C137-A168 HydrophobicContact CB-CB 4.35Å
138	M	98.9	Very high	97.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.4	-178.8	179.5	178.4	-75	0	0	109.1	C78 M80 Q90 V91 A94 I118 L140 K153 C154	C78-M138 HydrophobicContact CB-CG 4.22Å; M80-M138 HydrophobicContact CE-CB 3.92Å; M80-M138 HydrophobicContact CE-CE 3.85Å; M80-M138 HydrophobicContact CE-CG 4.47Å; M80-M138 HydrophobicContact SD-CB 3.63Å; M80-M138 HydrophobicContact SD-CE 3.39Å; M80-M138 WeakPolarHBondContact SD-CE 3.45Å; M80-M138 HydrophobicContact SD-CG 3.62Å; M80-M138 HydrophobicContact SD-SD 4.36Å; Q90-M138 HydrophobicContact CB-CE 4.22Å; Q90-M138 HydrophobicContact CG-CE 3.84Å; V91-M138 HydrophobicContact CG2-CE 4.1Å; A94-M138 HydrophobicContact CB-CE 4.12Å; A94-M138 HydrophobicContact CB-SD 4.38Å; I118-M138 HydrophobicContact CG2-SD 4.42Å; M138-L140 HydrophobicContact CG-CD2 4.39Å; M138-L140 HydrophobicContact CG-CG 4.06Å; M138-L140 HydrophobicContact SD-CD1 4.14Å; M138-L140 HydrophobicContact SD-CD2 4.04Å; M138-L140 HydrophobicContact SD-CG 4.06Å; M138-K153 WeakPolarHBondContact O-CA 3.45Å; M138-C154 PolarHBondContact N-O 2.99Å; M138-C154 PolarHBondContact O-N 3.1Å
139	I	98.9	Very high	97.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.6	167.6	-61.7	166.2	0	0	0	107.6	A41 C78 V79 V151 Y152 K153 T166 A168	A41-I139 HydrophobicContact CB-CG2 3.7Å; C78-I139 CarbonylContact C-O 3.49Å; C78-I139 WeakPolarHBondContact CA-O 3.39Å; C78-I139 VanDerWaalsContact CB-O 3.31Å; C78-I139 WeakPolarHBondContact CB-O 3.2Å; V79-I139 HydrophobicContact CG1-CB 3.72Å; V79-I139 HydrophobicContact CG1-CD1 4.22Å; V79-I139 HydrophobicContact CG1-CG1 4.41Å; V79-I139 HydrophobicContact CG1-CG2 4.38Å; V79-I139 PolarHBondContact N-O 2.93Å; V79-I139 PolarHBondContact O-N 3.41Å; I139-V151 HydrophobicContact CG2-CG1 4.05Å; I139-Y152 CarbonylContact C-O 3.57Å; I139-Y152 VanDerWaalsContact CA-O 3.3Å; I139-Y152 WeakPolarHBondContact CA-O 3.41Å; I139-K153 HydrophobicContact CD1-CD 4.26Å; I139-K153 HydrophobicContact CG1-CB 4.08Å; I139-K153 HydrophobicContact CG1-CD 3.89Å; I139-K153 HydrophobicContact CG1-CG 3.76Å; I139-T166 HydrophobicContact CD1-CG2 4.05Å; I139-T166 HydrophobicContact CG1-CG2 4.32Å; I139-T166 HydrophobicContact CG2-CG2 4.4Å; I139-A168 HydrophobicContact CD1-CB 3.93Å
140	L	98.9	Very high	97.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	140.6	179.6	-70.7	160.8	0	0	0	110	I72 I76 G77 C78 V111 L114 C115 M138 V151 Y152	I72-L140 HydrophobicContact CG1-CD2 4.1Å; I76-L140 HydrophobicContact CG2-CD2 3.77Å; G77-L140 WeakPolarHBondContact O-CA 3.32Å; C78-L140 HydrophobicContact CB-CD2 3.53Å; C78-L140 HydrophobicContact CB-CG 4.32Å; V111-L140 HydrophobicContact CG1-CB 3.84Å; L114-L140 HydrophobicContact CD2-CD1 4.21Å; L114-L140 HydrophobicContact CD2-CD2 4.04Å; L114-L140 HydrophobicContact CG-CD1 4.19Å; C115-L140 HydrophobicContact CB-CD1 3.72Å; M138-L140 HydrophobicContact CG-CD2 4.39Å; M138-L140 HydrophobicContact CG-CG 4.06Å; M138-L140 HydrophobicContact SD-CD1 4.14Å; M138-L140 HydrophobicContact SD-CD2 4.04Å; M138-L140 HydrophobicContact SD-CG 4.06Å; L140-V151 WeakPolarHBondContact O-CA 3.38Å; L140-Y152 PolarHBondContact N-O 3.07Å; L140-Y152 PolarHBondContact O-N 2.83Å
141	I	98.9	Very high	97.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148	167.9	65.6	173.6	0	0	0	110.7	A48 I50 I76 G77 Q150 V151 V220 F227	A48-I141 HydrophobicContact CB-CB 4.03Å; A48-I141 HydrophobicContact CB-CG2 4.09Å; I50-I141 HydrophobicContact CD1-CB 4.25Å; I50-I141 HydrophobicContact CD1-CD1 3.67Å; I50-I141 HydrophobicContact CD1-CG1 3.64Å; I50-I141 HydrophobicContact CD1-CG2 3.74Å; I50-I141 HydrophobicContact CG1-CD1 3.88Å; I50-I141 HydrophobicContact CG1-CG1 4.25Å; I50-I141 HydrophobicContact CG1-CG2 3.71Å; I76-I141 WeakPolarHBondContact CA-O 3.39Å; G77-I141 PolarHBondContact N-O 2.91Å; G77-I141 PolarHBondContact O-N 3.43Å; I141-Q150 VanDerWaalsContact CA-O 3.31Å; I141-Q150 WeakPolarHBondContact CA-O 3.42Å; I141-V151 HydrophobicContact CG2-CB 4.44Å; I141-V151 HydrophobicContact CG2-CG1 4.43Å; I141-V151 HydrophobicContact CG2-CG2 3.88Å; I141-V220 HydrophobicContact CB-CG2 4.25Å; I141-V220 HydrophobicContact CD1-CG1 4.44Å; I141-V220 HydrophobicContact CD1-CG2 4.08Å; I141-V220 HydrophobicContact CG1-CG1 4.43Å; I141-V220 HydrophobicContact CG1-CG2 4.19Å; I141-F227 HydrophobicContact CD1-CD2 4.22Å; I141-F227 HydrophobicContact CD1-CE2 4.02Å; I141-F227 HydrophobicContact CG1-CD2 4.43Å; I141-F227 HydrophobicContact CG1-CE2 4.42Å
142	G	98.7	Very high	98	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	173.3	174.1	0	0	0	0	0	110.3	N75 Q150	N75-G142 WeakPolarHBondContact O-CA 3.2Å; G142-Q150 PolarHBondContact N-O 3.33Å; G142-Q150 PolarHBondContact O-N 3.33Å
143	I	98.6	Very high	98	Very high	32 Å²	32	33.5 Å²	33.5	16%	0.164	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	124	172.8	-53	-56.8	0	0	0	108	P149 V220 T221 V222 P225	I143-P149 HydrophobicContact CD1-CB 3.78Å; I143-P149 HydrophobicContact CD1-CG 3.84Å; I143-V220 HydrophobicContact CD1-CB 4.06Å; I143-V220 HydrophobicContact CD1-CG2 3.75Å; I143-V220 HydrophobicContact CG1-CB 4.07Å; I143-V220 HydrophobicContact CG1-CG2 4.19Å; I143-T221 WeakPolarHBondContact CG1-O 3.35Å; I143-V222 HydrophobicContact CD1-CG2 4.43Å; I143-V222 HydrophobicContact CG2-CG2 4.23Å; I143-P225 HydrophobicContact CB-CB 4.16Å; I143-P225 HydrophobicContact CG1-CB 4.12Å
144	D	97.4	Very high	98	Very high	32 Å²	32	33.4 Å²	33.4	17%	0.171	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	138.1	167.3	-175.1	-92.6	0	0	0	109.3	E146 Q147 G148 Q150	D144-E146 VanDerWaalsContact C-N 3.29Å; D144-E146 PolarHBondContact O-N 2.86Å; D144-E146 PolarHBondContact OD1-N 2.81Å; D144-Q147 HydrophobicContact CB-CB 4.15Å; D144-Q147 PolarHBondContact OD1-N 2.84Å; D144-G148 PolarHBondContact N-O 3.25Å; D144-G148 VanDerWaalsContact O-CA 3.27Å; D144-G148 WeakPolarHBondContact O-CA 3.3Å; D144-G148 PolarHBondContact O-N 3.39Å; D144-Q150 HydrophobicContact CB-CG 3.86Å
145	E	93.7	Very high	98	Very high	203 Å²	203	33.4 Å²	33.4	95%	0.949	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-29.6	-174.9	-65.1	178.8	-174.8	0	0	112.6
146	E	95.4	Very high	97.9	Very high	182 Å²	182	33.5 Å²	33.5	85%	0.85	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-35.2	-177.9	-62.5	-176.8	179.3	0	0	112.3	D144	D144-E146 VanDerWaalsContact C-N 3.29Å; D144-E146 PolarHBondContact O-N 2.86Å; D144-E146 PolarHBondContact OD1-N 2.81Å
147	Q	96.2	Very high	97.9	Very high	129 Å²	129	35.2 Å²	35.2	60%	0.603	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-7.1	-172.4	-57.1	-168.4	-2.1	0	0	114	D144	D144-Q147 HydrophobicContact CB-CB 4.15Å; D144-Q147 PolarHBondContact OD1-N 2.84Å
148	G	97.8	Very high	97.8	Very high	19 Å²	19	35.9 Å²	35.9	20%	0.196	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	75.9	-151.5	-176.9	0	0	0	0	0	112.5	D144	D144-G148 PolarHBondContact N-O 3.25Å; D144-G148 VanDerWaalsContact O-CA 3.27Å; D144-G148 WeakPolarHBondContact O-CA 3.3Å; D144-G148 PolarHBondContact O-N 3.39Å
149	P	98.4	Very high	97.8	Very high	7 Å²	7	42.8 Å²	42.8	5%	0.045	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	143.3	-178.8	-18.9	29.3	0	0	0	112.5	R43 K45 C47 A48 I143 V222	R43-P149 WeakPolarHBondContact CD-O 3.39Å; R43-P149 HydrophobicContact CG-CB 4.06Å; K45-P149 VanDerWaalsContact O-CD 3.29Å; K45-P149 WeakPolarHBondContact O-CD 3.23Å; K45-P149 WeakPolarHBondContact O-CG 3.2Å; C47-P149 VanDerWaalsContact N-CG 3.33Å; C47-P149 WeakPolarHBondContact O-CB 3.48Å; A48-P149 HydrophobicContact CB-CB 4.04Å; I143-P149 HydrophobicContact CD1-CB 3.78Å; I143-P149 HydrophobicContact CD1-CG 3.84Å; P149-V222 HydrophobicContact CG-CG2 4.15Å
150	Q	98.6	Very high	97.7	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.037	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	142	-179.2	-61.9	-72.4	55.8	0	0	111	V111 I141 G142 D144 Y152	V111-Q150 HydrophobicContact CB-CB 4.35Å; V111-Q150 HydrophobicContact CG2-CB 4.47Å; I141-Q150 VanDerWaalsContact CA-O 3.31Å; I141-Q150 WeakPolarHBondContact CA-O 3.42Å; G142-Q150 PolarHBondContact N-O 3.33Å; G142-Q150 PolarHBondContact O-N 3.33Å; D144-Q150 HydrophobicContact CB-CG 3.86Å; Q150-Y152 HydrophobicContact CB-CD2 4.18Å; Q150-Y152 HydrophobicContact CB-CE2 4.09Å; Q150-Y152 HydrophobicContact CG-CE2 4.48Å
151	V	98.8	Very high	97.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	118.7	171.1	178.2	0	0	0	0	107.6	A41 R43 A48 I139 L140 I141 G162 F163 T166	A41-V151 HydrophobicContact CB-CG1 3.77Å; R43-V151 HydrophobicContact CB-CG2 3.78Å; A48-V151 HydrophobicContact CB-CG2 3.97Å; I139-V151 HydrophobicContact CG2-CG1 4.05Å; L140-V151 WeakPolarHBondContact O-CA 3.38Å; I141-V151 HydrophobicContact CG2-CB 4.44Å; I141-V151 HydrophobicContact CG2-CG1 4.43Å; I141-V151 HydrophobicContact CG2-CG2 3.88Å; V151-G162 CarbonylContact O-C 3.6Å; V151-G162 WeakPolarHBondContact O-CA 3.48Å; V151-F163 PolarHBondContact O-N 2.93Å; V151-T166 HydrophobicContact CG1-CG2 4.16Å
152	Y	98.9	Very high	97.7	Very high	35 Å²	35	50 Å²	50	14%	0.137	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	147.2	177.1	-83.8	-93	0	0	0	110.5	V111 D112 C115 I139 L140 Q150 Y160 C161	V111-Y152 HydrophobicContact CB-CD2 4.39Å; V111-Y152 HydrophobicContact CG1-CD2 3.95Å; D112-Y152 HydrophobicContact CB-CD2 4.44Å; D112-Y152 HydrophobicContact CB-CE1 3.84Å; D112-Y152 HydrophobicContact CB-CE2 3.73Å; D112-Y152 WeakPolarHBondContact CB-OH 3.35Å; C115-Y152 HydrophobicContact CB-CD1 4.3Å; C115-Y152 HydrophobicContact CB-CG 4.26Å; I139-Y152 CarbonylContact C-O 3.57Å; I139-Y152 VanDerWaalsContact CA-O 3.3Å; I139-Y152 WeakPolarHBondContact CA-O 3.41Å; L140-Y152 PolarHBondContact N-O 3.07Å; L140-Y152 PolarHBondContact O-N 2.83Å; Q150-Y152 HydrophobicContact CB-CD2 4.18Å; Q150-Y152 HydrophobicContact CB-CE2 4.09Å; Q150-Y152 HydrophobicContact CG-CE2 4.48Å; Y152-Y160 HydrophobicContact CD1-CD2 4.03Å; Y152-Y160 HydrophobicContact CD1-CE2 4.44Å; Y152-Y160 HydrophobicContact CE1-CD2 4.33Å; Y152-Y160 HydrophobicContact CE1-CE2 4.31Å; Y152-C161 WeakPolarHBondContact CA-O 3.43Å; Y152-C161 WeakPolarHBondContact CD1-O 3.38Å
153	K	98.8	Very high	97.7	Very high	24 Å²	24	52.7 Å²	52.7	10%	0.104	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	133.5	174.7	-176.6	174.7	75.8	-176.3	0	109.6	M138 I139 Y160 C161 F163 T166 A167	M138-K153 WeakPolarHBondContact O-CA 3.45Å; I139-K153 HydrophobicContact CD1-CD 4.26Å; I139-K153 HydrophobicContact CG1-CB 4.08Å; I139-K153 HydrophobicContact CG1-CD 3.89Å; I139-K153 HydrophobicContact CG1-CG 3.76Å; K153-Y160 VanDerWaalsContact O-CA 3.23Å; K153-Y160 WeakPolarHBondContact O-CA 3.17Å; K153-C161 PolarHBondContact N-O 3.05Å; K153-C161 VanDerWaalsContact N-O 3.07Å; K153-C161 PolarHBondContact O-N 2.81Å; K153-C161 VanDerWaalsContact O-N 3.12Å; K153-F163 HydrophobicContact CB-CD2 4.07Å; K153-F163 HydrophobicContact CB-CE2 3.8Å; K153-T166 HydrophobicContact CB-CG2 4.29Å; K153-T166 HydrophobicContact CD-CG2 4.16Å; K153-T166 PolarHBondContact NZ-OG1 3.22Å; K153-A167 PolarHBondContact NZ-O 3.15Å
154	C	98.1	Very high	97.6	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.007	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	145.3	168.5	62.2	0	0	0	0	111.5	A119 C137 M138 Y159	A119-C154 HydrophobicContact CB-CB 4.16Å; C137-C154 PolarHBondContact SG-O 3.44Å; M138-C154 PolarHBondContact N-O 2.99Å; M138-C154 PolarHBondContact O-N 3.1Å; C154-Y159 VanDerWaalsContact CA-O 3.23Å; C154-Y159 WeakPolarHBondContact CA-O 3.38Å
155	D	97.6	Very high	97.6	Very high	26 Å²	26	57.2 Å²	57.2	14%	0.139	29%	0.29	C	S	.	.			trans	-116.9	170.9	-174.6	68.7	33.3	0	0	0	112.9	F29 A157 G158 Y159	F29-D155 HydrophobicContact CE1-CB 3.76Å; F29-D155 HydrophobicContact CZ-CB 3.81Å; D155-A157 PolarHBondContact O-N 2.94Å; D155-A157 VanDerWaalsContact O-N 3.1Å; D155-A157 WeakPolarHBondContact OD1-CA 3.37Å; D155-A157 VanDerWaalsContact OD1-CB 3.26Å; D155-A157 WeakPolarHBondContact OD1-CB 3.44Å; D155-A157 PolarHBondContact OD1-N 3.45Å; D155-G158 PolarHBondContact O-N 3.28Å; D155-G158 PolarHBondContact OD1-N 2.94Å; D155-Y159 PolarHBondContact N-O 2.91Å; D155-Y159 PolarHBondContact OD1-N 2.8Å
156	P	97.8	Very high	97.8	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.013	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.6	-179.7	-26.9	36	0	0	0	115.3	A28 I32 T126 P133 L134 C136 G158	A28-P156 HydrophobicContact CB-CB 3.79Å; A28-P156 HydrophobicContact CB-CG 4.26Å; I32-P156 HydrophobicContact CD1-CG 3.81Å; I32-P156 HydrophobicContact CG1-CG 4.38Å; T126-P156 WeakPolarHBondContact CG2-O 3.34Å; P133-P156 HydrophobicContact CB-CB 4.33Å; L134-P156 WeakPolarHBondContact O-CB 3.43Å; L134-P156 WeakPolarHBondContact O-CG 3.35Å; C136-P156 WeakPolarHBondContact O-CG 3.46Å; P156-G158 PolarHBondContact O-N 3.03Å
157	A	97.4	Very high	98	Very high	36 Å²	36	39.2 Å²	39.2	30%	0.298	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-7.8	177.2	0	0	0	0	0	112.3	V25 F29 D155 Y159	V25-A157 HydrophobicContact CG1-CB 3.66Å; F29-A157 HydrophobicContact CE2-CB 4.07Å; F29-A157 HydrophobicContact CZ-CB 4.3Å; D155-A157 PolarHBondContact O-N 2.94Å; D155-A157 VanDerWaalsContact O-N 3.1Å; D155-A157 WeakPolarHBondContact OD1-CA 3.37Å; D155-A157 VanDerWaalsContact OD1-CB 3.26Å; D155-A157 WeakPolarHBondContact OD1-CB 3.44Å; D155-A157 PolarHBondContact OD1-N 3.45Å; A157-Y159 VanDerWaalsContact C-N 3.3Å
158	G	96.9	Very high	98.1	Very high	17 Å²	17	33 Å²	33	18%	0.175	18%	0.177	C	C	.	.	S	Bend	trans	78	18.2	-171.1	0	0	0	0	0	112.6	A119 D155 P156	A119-G158 WeakPolarHBondContact CB-O 3.28Å; A119-G158 VanDerWaalsContact O-CA 3.28Å; A119-G158 WeakPolarHBondContact O-CA 3.44Å; D155-G158 PolarHBondContact O-N 3.28Å; D155-G158 PolarHBondContact OD1-N 2.94Å; P156-G158 PolarHBondContact O-N 3.03Å
159	Y	97.6	Very high	98.1	Very high	145 Å²	145	32.3 Å²	32.3	57%	0.569	17%	0.169	S	C	*	.			trans	-87.9	141.7	169.5	-178.3	-104.3	0	0	0	109.8	C154 D155 A157 C161	C154-Y159 VanDerWaalsContact CA-O 3.23Å; C154-Y159 WeakPolarHBondContact CA-O 3.38Å; D155-Y159 PolarHBondContact N-O 2.91Å; D155-Y159 PolarHBondContact OD1-N 2.8Å; A157-Y159 VanDerWaalsContact C-N 3.3Å; Y159-C161 HydrophobicContact CE1-CB 3.87Å
160	Y	98.3	Very high	98.1	Very high	73 Å²	73	35 Å²	35	29%	0.286	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	150.6	171.7	79.8	-74	0	0	0	111.3	C115 K116 A119 Y152 K153	C115-Y160 HydrophobicContact CB-CD2 4.11Å; K116-Y160 HydrophobicContact CB-CD1 4.43Å; K116-Y160 HydrophobicContact CB-CE1 3.78Å; K116-Y160 HydrophobicContact CB-CE2 3.86Å; K116-Y160 VanDerWaalsContact CB-CZ 3.46Å; K116-Y160 HydrophobicContact CD-CE1 4.49Å; K116-Y160 WeakPolarHBondContact CD-OH 3.19Å; K116-Y160 HydrophobicContact CG-CE1 3.7Å; K116-Y160 WeakPolarHBondContact CG-OH 3.4Å; A119-Y160 HydrophobicContact CB-CD1 3.71Å; A119-Y160 HydrophobicContact CB-CG 4.09Å; Y152-Y160 HydrophobicContact CD1-CD2 4.03Å; Y152-Y160 HydrophobicContact CD1-CE2 4.44Å; Y152-Y160 HydrophobicContact CE1-CD2 4.33Å; Y152-Y160 HydrophobicContact CE1-CE2 4.31Å; K153-Y160 VanDerWaalsContact O-CA 3.23Å; K153-Y160 WeakPolarHBondContact O-CA 3.17Å
161	C	98.1	Very high	98	Very high	43 Å²	43	37.9 Å²	37.9	29%	0.291	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	156.6	176	-164.2	0	0	0	0	111.1	Y152 K153 Y159 F163	Y152-C161 WeakPolarHBondContact CA-O 3.43Å; Y152-C161 WeakPolarHBondContact CD1-O 3.38Å; K153-C161 PolarHBondContact N-O 3.05Å; K153-C161 VanDerWaalsContact N-O 3.07Å; K153-C161 PolarHBondContact O-N 2.81Å; K153-C161 VanDerWaalsContact O-N 3.12Å; Y159-C161 HydrophobicContact CE1-CB 3.87Å; C161-F163 HydrophobicContact CB-CE2 3.75Å; C161-F163 HydrophobicContact CB-CZ 3.96Å; C161-F163 WeakPolarHBondContact O-CD2 3.21Å; C161-F163 WeakPolarHBondContact O-CE2 3.39Å
162	G	98.1	Very high	98	Very high	35 Å²	35	41.3 Å²	41.3	36%	0.361	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	142.3	172.3	0	0	0	0	0	111.4	V151	V151-G162 CarbonylContact O-C 3.6Å; V151-G162 WeakPolarHBondContact O-CA 3.48Å
163	F	98.3	Very high	97.9	Very high	58 Å²	58	44.6 Å²	44.6	25%	0.254	24%	0.238	S	C	.	.			trans	-130.8	149.2	-173.8	-67.9	-90.3	0	0	0	112.4	V151 K153 C161 T166	V151-F163 PolarHBondContact O-N 2.93Å; K153-F163 HydrophobicContact CB-CD2 4.07Å; K153-F163 HydrophobicContact CB-CE2 3.8Å; C161-F163 HydrophobicContact CB-CE2 3.75Å; C161-F163 HydrophobicContact CB-CZ 3.96Å; C161-F163 WeakPolarHBondContact O-CD2 3.21Å; C161-F163 WeakPolarHBondContact O-CE2 3.39Å; F163-T166 HydrophobicContact CB-CG2 4.31Å; F163-T166 HydrophobicContact CD2-CG2 4.31Å; F163-T166 HydrophobicContact CG-CG2 4.25Å
164	K	96.9	Very high	97.9	Very high	140 Å²	140	47.1 Å²	47.1	61%	0.609	25%	0.25	S	C	*	.	S	Bend	trans	-76.4	-39	163.4	-62.5	-176.3	-176.4	-178.4	0	111.1	R43 V183	R43-K164 VanDerWaalsContact CB-O 3.23Å; R43-K164 WeakPolarHBondContact CB-O 3.48Å; R43-K164 PolarHBondContact N-O 3.44Å; K164-V183 HydrophobicContact CD-CG1 4.26Å
165	A	97.9	Very high	97.9	Very high	19 Å²	19	47 Å²	47	16%	0.157	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	147.9	170.6	0	0	0	0	0	107.9	A41 V42 L179 V183	A41-A165 CarbonylContact O-C 3.58Å; A41-A165 WeakPolarHBondContact O-CA 3.32Å; V42-A165 HydrophobicContact CB-CB 4.44Å; V42-A165 HydrophobicContact CG1-CB 4.24Å; V42-A165 HydrophobicContact CG2-CB 4.21Å; A165-L179 HydrophobicContact CB-CB 4.27Å; A165-L179 HydrophobicContact CB-CD1 3.99Å; A165-L179 HydrophobicContact CB-CD2 4.05Å; A165-L179 HydrophobicContact CB-CG 4.32Å; A165-V183 HydrophobicContact CB-CG2 4.5Å
166	T	98.6	Very high	97.9	Very high	6 Å²	6	48 Å²	48	4%	0.037	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	165.6	179.4	-157.7	0	0	0	0	110.4	A41 I139 V151 K153 F163	A41-T166 HydrophobicContact CB-CG2 4.41Å; A41-T166 PolarHBondContact N-O 3.27Å; A41-T166 PolarHBondContact O-N 2.94Å; I139-T166 HydrophobicContact CD1-CG2 4.05Å; I139-T166 HydrophobicContact CG1-CG2 4.32Å; I139-T166 HydrophobicContact CG2-CG2 4.4Å; V151-T166 HydrophobicContact CG1-CG2 4.16Å; K153-T166 HydrophobicContact CB-CG2 4.29Å; K153-T166 HydrophobicContact CD-CG2 4.16Å; K153-T166 PolarHBondContact NZ-OG1 3.22Å; F163-T166 HydrophobicContact CB-CG2 4.31Å; F163-T166 HydrophobicContact CD2-CG2 4.31Å; F163-T166 HydrophobicContact CG-CG2 4.25Å
167	A	98.6	Very high	98	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	162.9	172.5	0	0	0	0	0	110.5	S39 V40 K153 Q172 S175	S39-A167 CarbonylContact O-C 3.48Å; S39-A167 WeakPolarHBondContact O-CA 3.47Å; S39-A167 WeakPolarHBondContact O-CB 2.95Å; V40-A167 HydrophobicContact CG2-CB 4.2Å; K153-A167 PolarHBondContact NZ-O 3.15Å; A167-Q172 HydrophobicContact CB-CG 4.48Å; A167-Q172 WeakPolarHBondContact O-CG 3.4Å; A167-Q172 PolarHBondContact O-OE1 3.22Å; A167-S175 VanDerWaalsContact CB-CB 3.45Å
168	A	98.4	Very high	98	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	152.1	171.5	0	0	0	0	0	110.3	T38 S39 T81 C137 I139	T38-A168 WeakPolarHBondContact CA-O 3.43Å; S39-A168 PolarHBondContact N-O 2.97Å; S39-A168 PolarHBondContact O-N 3.05Å; T81-A168 HydrophobicContact CG2-CB 4.32Å; C137-A168 HydrophobicContact CB-CB 4.35Å; I139-A168 HydrophobicContact CD1-CB 3.93Å
169	G	97.5	Very high	98	Very high	3 Å²	3	50.1 Å²	50.1	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	102.2	-161	177.5	0	0	0	0	0	114.1	N33 L37 K171 Q172	N33-G169 PolarHBondContact OD1-O 3.09Å; L37-G169 VanDerWaalsContact O-CA 3.32Å; L37-G169 WeakPolarHBondContact O-CA 3.39Å; G169-K171 VanDerWaalsContact C-N 3.29Å; G169-K171 PolarHBondContact O-N 3.12Å; G169-Q172 WeakPolarHBondContact O-CB 3.38Å; G169-Q172 PolarHBondContact O-N 3.15Å; G169-Q172 VanDerWaalsContact O-N 3.15Å
170	V	97.9	Very high	97.9	Very high	65 Å²	65	48.5 Å²	48.5	39%	0.394	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-39.9	-165.8	-179.1	0	0	0	0	112.7	N33 L37	N33-V170 HydrophobicContact CB-CG2 4.21Å; N33-V170 WeakPolarHBondContact O-CG2 3.34Å; N33-V170 PolarHBondContact OD1-N 3.1Å; L37-V170 PolarHBondContact O-N 3.42Å; L37-V170 VanDerWaalsContact O-N 3.12Å
171	K	98.3	Very high	97.7	Very high	67 Å²	67	52.4 Å²	52.4	29%	0.291	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	28.2	-176.8	-62.8	-65.2	-174.1	170.9	0	113.5	T38 G169 T173 E174 S175 V205 L206	T38-K171 HydrophobicContact CG2-CB 3.95Å; T38-K171 WeakPolarHBondContact OG1-CB 3.46Å; T38-K171 PolarHBondContact OG1-N 2.85Å; T38-K171 VanDerWaalsContact OG1-N 3.12Å; G169-K171 VanDerWaalsContact C-N 3.29Å; G169-K171 PolarHBondContact O-N 3.12Å; K171-T173 VanDerWaalsContact C-N 3.33Å; K171-T173 PolarHBondContact O-N 3.12Å; K171-E174 WeakPolarHBondContact CA-OE2 3.45Å; K171-E174 HydrophobicContact CD-CG 4.49Å; K171-E174 WeakPolarHBondContact CD-OE1 3.38Å; K171-E174 IonicContact NZ-OE1 3.54Å; K171-E174 PolarHBondContact NZ-OE1 3.23Å; K171-S175 VanDerWaalsContact O-CB 3.28Å; K171-S175 WeakPolarHBondContact O-CB 3.5Å; K171-S175 PolarHBondContact O-N 3.12Å; K171-S175 PolarHBondContact O-OG 3.21Å; K171-V205 HydrophobicContact CB-CB 4.36Å; K171-V205 HydrophobicContact CB-CG2 4.04Å; K171-L206 HydrophobicContact CG-CD2 3.94Å
172	Q	97.8	Very high	97.4	Very high	72 Å²	72	53 Å²	53	34%	0.336	28%	0.275	S	S	.	.	H	α-helix	trans	-58.6	-42.6	-179.2	176	176.3	-41.7	0	0	112.5	A167 G169 S175 T176	A167-Q172 HydrophobicContact CB-CG 4.48Å; A167-Q172 WeakPolarHBondContact O-CG 3.4Å; A167-Q172 PolarHBondContact O-OE1 3.22Å; G169-Q172 WeakPolarHBondContact O-CB 3.38Å; G169-Q172 PolarHBondContact O-N 3.15Å; G169-Q172 VanDerWaalsContact O-N 3.15Å; Q172-S175 PolarHBondContact O-N 3.45Å; Q172-T176 WeakPolarHBondContact O-CB 3.3Å; Q172-T176 PolarHBondContact O-N 3.38Å; Q172-T176 PolarHBondContact O-OG1 2.76Å
173	T	97.9	Very high	96.9	Very high	105 Å²	105	53.7 Å²	53.7	64%	0.644	27%	0.272	S	S	*	.	H	α-helix	trans	-67.1	-46.3	-175.9	-54.8	0	0	0	0	111.6	K171 T176 S177	K171-T173 VanDerWaalsContact C-N 3.33Å; K171-T173 PolarHBondContact O-N 3.12Å; T173-T176 PolarHBondContact O-N 3.36Å; T173-S177 PolarHBondContact O-N 3.46Å; T173-S177 PolarHBondContact O-OG 2.78Å
174	E	98.4	Very high	96.3	Very high	76 Å²	76	59.2 Å²	59.2	36%	0.355	30%	0.296	S	S	.	.	H	α-helix	trans	-65.2	-41.9	177.3	-60.3	95.1	138.3	0	0	111	K171 T176 S177 F178 V205	K171-E174 WeakPolarHBondContact CA-OE2 3.45Å; K171-E174 HydrophobicContact CD-CG 4.49Å; K171-E174 WeakPolarHBondContact CD-OE1 3.38Å; K171-E174 IonicContact NZ-OE1 3.54Å; K171-E174 PolarHBondContact NZ-OE1 3.23Å; E174-T176 PolarHBondContact O-N 3.3Å; E174-S177 WeakPolarHBondContact O-CB 3.44Å; E174-S177 PolarHBondContact O-N 2.84Å; E174-F178 PolarHBondContact O-N 3.12Å; E174-V205 HydrophobicContact CB-CB 4.18Å; E174-V205 HydrophobicContact CB-CG1 3.92Å
175	S	98.3	Very high	95.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.2	-44.6	176.7	-57.2	0	0	0	0	111.6	A167 K171 Q172 S177 F178 L179	A167-S175 VanDerWaalsContact CB-CB 3.45Å; K171-S175 VanDerWaalsContact O-CB 3.28Å; K171-S175 WeakPolarHBondContact O-CB 3.5Å; K171-S175 PolarHBondContact O-N 3.12Å; K171-S175 PolarHBondContact O-OG 3.21Å; Q172-S175 PolarHBondContact O-N 3.45Å; S175-S177 VanDerWaalsContact C-N 3.32Å; S175-S177 PolarHBondContact O-N 3.13Å; S175-F178 PolarHBondContact O-N 3.33Å; S175-L179 WeakPolarHBondContact O-CB 3.28Å; S175-L179 WeakPolarHBondContact O-CD1 3.4Å; S175-L179 WeakPolarHBondContact O-CG 3.41Å; S175-L179 PolarHBondContact O-N 2.8Å
176	T	97.9	Very high	94.4	Very high	47 Å²	47	68 Å²	68	29%	0.288	33%	0.331	S	S	.	.	H	α-helix	trans	-60.7	-44.9	177.4	-55	0	0	0	0	110.5	Q172 T173 E174 F178 L179 E180	Q172-T176 WeakPolarHBondContact O-CB 3.3Å; Q172-T176 PolarHBondContact O-N 3.38Å; Q172-T176 PolarHBondContact O-OG1 2.76Å; T173-T176 PolarHBondContact O-N 3.36Å; E174-T176 PolarHBondContact O-N 3.3Å; T176-F178 VanDerWaalsContact C-N 3.32Å; T176-F178 PolarHBondContact O-N 3.47Å; T176-L179 PolarHBondContact O-N 3.36Å; T176-E180 HydrophobicContact CG2-CG 4.4Å; T176-E180 WeakPolarHBondContact O-CB 3.41Å; T176-E180 WeakPolarHBondContact O-CG 3.45Å; T176-E180 PolarHBondContact O-N 2.96Å
177	S	98.1	Very high	93.5	Very high	56 Å²	56	71.5 Å²	71.5	39%	0.392	35%	0.346	S	S	.	.	H	α-helix	trans	-62.2	-36.8	177.8	-58.2	0	0	0	0	113	T173 E174 S175 K181	T173-S177 PolarHBondContact O-N 3.46Å; T173-S177 PolarHBondContact O-OG 2.78Å; E174-S177 WeakPolarHBondContact O-CB 3.44Å; E174-S177 PolarHBondContact O-N 2.84Å; S175-S177 VanDerWaalsContact C-N 3.32Å; S175-S177 PolarHBondContact O-N 3.13Å; S177-K181 WeakPolarHBondContact O-CG 3.47Å
178	F	97.9	Very high	92.9	Very high	37 Å²	37	76.5 Å²	76.5	16%	0.162	37%	0.372	C	S	.	.	H	α-helix	trans	-68	-49.9	174.4	179.1	-84.3	0	0	0	111.4	E174 S175 T176 E180 K181 K182 T200 C201 T204	E174-F178 PolarHBondContact O-N 3.12Å; S175-F178 PolarHBondContact O-N 3.33Å; T176-F178 VanDerWaalsContact C-N 3.32Å; T176-F178 PolarHBondContact O-N 3.47Å; F178-E180 PolarHBondContact O-N 3.37Å; F178-K181 PolarHBondContact O-N 3.46Å; F178-K182 HydrophobicContact CD1-CG 4.14Å; F178-K182 HydrophobicContact CE1-CD 4.4Å; F178-K182 HydrophobicContact CE1-CG 3.68Å; F178-K182 HydrophobicContact CZ-CD 4.46Å; F178-K182 HydrophobicContact CZ-CG 4.11Å; F178-K182 PolarHBondContact O-N 2.84Å; F178-K182 VanDerWaalsContact O-N 3.15Å; F178-T200 HydrophobicContact CZ-CG2 4.01Å; F178-C201 HydrophobicContact CD1-CB 3.53Å; F178-C201 VanDerWaalsContact CD1-SG 3.55Å; F178-C201 VanDerWaalsContact CE1-CA 3.44Å; F178-C201 HydrophobicContact CE1-CB 3.56Å; F178-C201 HydrophobicContact CG-CB 4.44Å; F178-C201 HydrophobicContact CZ-CB 4.48Å; F178-T204 HydrophobicContact CD2-CG2 4Å; F178-T204 HydrophobicContact CE2-CG2 3.96Å
179	L	96.9	Very high	92.7	Very high	6 Å²	6	78.3 Å²	78.3	3%	0.031	38%	0.379	C	S	.	.	H	α-helix	trans	-63	-41.8	-177.2	-68.9	165.8	0	0	0	111.5	V40 V42 A165 S175 T176 K181 K182 V183 T197 C201	V40-L179 HydrophobicContact CG1-CD1 4.16Å; V40-L179 HydrophobicContact CG1-CD2 4.47Å; V42-L179 HydrophobicContact CG2-CD2 3.97Å; A165-L179 HydrophobicContact CB-CB 4.27Å; A165-L179 HydrophobicContact CB-CD1 3.99Å; A165-L179 HydrophobicContact CB-CD2 4.05Å; A165-L179 HydrophobicContact CB-CG 4.32Å; S175-L179 WeakPolarHBondContact O-CB 3.28Å; S175-L179 WeakPolarHBondContact O-CD1 3.4Å; S175-L179 WeakPolarHBondContact O-CG 3.41Å; S175-L179 PolarHBondContact O-N 2.8Å; T176-L179 PolarHBondContact O-N 3.36Å; L179-K181 VanDerWaalsContact C-N 3.26Å; L179-K181 PolarHBondContact O-N 3.08Å; L179-K182 PolarHBondContact O-N 3.12Å; L179-K182 VanDerWaalsContact O-N 3.1Å; L179-V183 WeakPolarHBondContact O-CB 3.5Å; L179-V183 VanDerWaalsContact O-CG2 3.23Å; L179-V183 WeakPolarHBondContact O-CG2 3.28Å; L179-V183 PolarHBondContact O-N 3.1Å; L179-T197 HydrophobicContact CD2-CG2 4.36Å; L179-C201 HydrophobicContact CD2-CB 4.13Å
180	E	95.6	Very high	92.6	Very high	111 Å²	111	80.7 Å²	80.7	52%	0.519	39%	0.393	S	S	.	.	H	α-helix	trans	-57.6	-38.3	176.4	-77	178.5	-179.6	0	0	112.8	T176 F178 K184	T176-E180 HydrophobicContact CG2-CG 4.4Å; T176-E180 WeakPolarHBondContact O-CB 3.41Å; T176-E180 WeakPolarHBondContact O-CG 3.45Å; T176-E180 PolarHBondContact O-N 2.96Å; F178-E180 PolarHBondContact O-N 3.37Å; E180-K184 VanDerWaalsContact O-CG 3.29Å; E180-K184 WeakPolarHBondContact O-CG 3.45Å; E180-K184 PolarHBondContact O-N 2.98Å
181	K	94.6	Very high	92.5	Very high	154 Å²	154	79.9 Å²	79.9	67%	0.67	38%	0.384	S	S	*	.	H	α-helix	trans	-69.7	-39.2	176.6	-67.4	173.5	-175	177.2	0	111.7	S177 F178 L179	S177-K181 WeakPolarHBondContact O-CG 3.47Å; F178-K181 PolarHBondContact O-N 3.46Å; L179-K181 VanDerWaalsContact C-N 3.26Å; L179-K181 PolarHBondContact O-N 3.08Å
182	K	91.6	Very high	92.4	Very high	57 Å²	57	80.9 Å²	80.9	25%	0.248	39%	0.39	C	S	.	.	H	α-helix	trans	-70.3	-43.6	177.9	-75.3	-81.2	-171.9	163.1	0	111.9	F178 L179 K184 K185 T197	F178-K182 HydrophobicContact CD1-CG 4.14Å; F178-K182 HydrophobicContact CE1-CD 4.4Å; F178-K182 HydrophobicContact CE1-CG 3.68Å; F178-K182 HydrophobicContact CZ-CD 4.46Å; F178-K182 HydrophobicContact CZ-CG 4.11Å; F178-K182 PolarHBondContact O-N 2.84Å; F178-K182 VanDerWaalsContact O-N 3.15Å; L179-K182 PolarHBondContact O-N 3.12Å; L179-K182 VanDerWaalsContact O-N 3.1Å; K182-K184 VanDerWaalsContact C-N 3.28Å; K182-K184 PolarHBondContact O-N 3Å; K182-K185 WeakPolarHBondContact O-CB 3.46Å; K182-K185 PolarHBondContact O-N 3.01Å; K182-T197 HydrophobicContact CB-CG2 4.44Å
183	V	87.5	Confident	92.2	Very high	48 Å²	48	79.6 Å²	79.6	29%	0.291	38%	0.384	S	S	.	.	H	α-helix	trans	-66.1	-27.6	-179.2	176.8	0	0	0	0	112.8	K164 A165 L179 K185 W189	K164-V183 HydrophobicContact CD-CG1 4.26Å; A165-V183 HydrophobicContact CB-CG2 4.5Å; L179-V183 WeakPolarHBondContact O-CB 3.5Å; L179-V183 VanDerWaalsContact O-CG2 3.23Å; L179-V183 WeakPolarHBondContact O-CG2 3.28Å; L179-V183 PolarHBondContact O-N 3.1Å; V183-K185 VanDerWaalsContact C-N 3.25Å; V183-K185 PolarHBondContact O-N 3.42Å; V183-W189 HydrophobicContact CG2-CH2 4.27Å; V183-W189 HydrophobicContact CG2-CZ2 4.23Å
184	K	86.3	Confident	92.2	Very high	174 Å²	174	74.6 Å²	74.6	76%	0.757	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-22.8	173.2	-77.2	172.7	178.6	173.6	0	113.3	E180 K182	E180-K184 VanDerWaalsContact O-CG 3.29Å; E180-K184 WeakPolarHBondContact O-CG 3.45Å; E180-K184 PolarHBondContact O-N 2.98Å; K182-K184 VanDerWaalsContact C-N 3.28Å; K182-K184 PolarHBondContact O-N 3Å
185	K	84.4	Confident	92.1	Very high	128 Å²	128	71 Å²	71	56%	0.557	34%	0.336	S	S	*	.	S	Bend	trans	-79.2	134.4	174.5	-61.6	-176.9	177.6	-172.5	0	108.7	K182 V183 F187	K182-K185 WeakPolarHBondContact O-CB 3.46Å; K182-K185 PolarHBondContact O-N 3.01Å; V183-K185 VanDerWaalsContact C-N 3.25Å; V183-K185 PolarHBondContact O-N 3.42Å; K185-F187 VanDerWaalsContact C-N 3.32Å; K185-F187 HydrophobicContact CB-CD2 3.83Å; K185-F187 HydrophobicContact CB-CE2 3.77Å; K185-F187 HydrophobicContact CD-CE2 4.08Å; K185-F187 PolarHBondContact O-N 2.92Å
186	K	70.2	Confident	92	Very high	217 Å²	217	71.8 Å²	71.8	94%	0.943	34%	0.34	S	S	*	.			trans	-74.9	85.9	175.6	-72.2	-162.4	175.6	-174.4	0	109.8
187	F	80.6	Confident	91.9	Very high	79 Å²	79	70 Å²	70	35%	0.346	33%	0.329	S	S	.	.			trans	-86.9	157	165.7	-83.8	-89.8	0	0	0	110.7	K185 W189	K185-F187 VanDerWaalsContact C-N 3.32Å; K185-F187 HydrophobicContact CB-CD2 3.83Å; K185-F187 HydrophobicContact CB-CE2 3.77Å; K185-F187 HydrophobicContact CD-CE2 4.08Å; K185-F187 PolarHBondContact O-N 2.92Å; F187-W189 HydrophobicContact CB-CD2 4.2Å; F187-W189 HydrophobicContact CB-CG 4.23Å; F187-W189 HydrophobicContact CB-CZ2 4.35Å
188	D	85.5	Confident	91.9	Very high	104 Å²	104	67.3 Å²	67.3	56%	0.556	31%	0.311	S	S	*	.			trans	-75.8	-14.8	172	-72.8	-48.4	0	0	0	112.9	K45 T190	K45-D188 WeakPolarHBondContact CD-O 3.5Å; K45-D188 WeakPolarHBondContact CE-O 3.29Å; K45-D188 PolarHBondContact NZ-O 3.13Å; K45-D188 IonicContact NZ-OD1 2.69Å; K45-D188 PolarHBondContact NZ-OD1 2.91Å; D188-T190 VanDerWaalsContact C-N 3.3Å; D188-T190 HydrophobicContact CB-CG2 4.3Å; D188-T190 PolarHBondContact O-N 3.46Å
189	W	93.3	Very high	91.9	Very high	38 Å²	38	65.7 Å²	65.7	14%	0.144	30%	0.304	C	S	.	.			trans	53.1	47.8	175.5	-64.9	103.6	0	0	0	112.3	V42 K45 V183 F187 T197	V42-W189 HydrophobicContact CG1-CE3 4.37Å; V42-W189 HydrophobicContact CG1-CZ3 3.8Å; K45-W189 HydrophobicContact CG-CB 4.3Å; K45-W189 PolarHBondContact N-O 2.91Å; K45-W189 VanDerWaalsContact N-O 3.13Å; V183-W189 HydrophobicContact CG2-CH2 4.27Å; V183-W189 HydrophobicContact CG2-CZ2 4.23Å; F187-W189 HydrophobicContact CB-CD2 4.2Å; F187-W189 HydrophobicContact CB-CG 4.23Å; F187-W189 HydrophobicContact CB-CZ2 4.35Å; W189-T197 HydrophobicContact CH2-CG2 4.09Å; W189-T197 HydrophobicContact CZ3-CG2 3.98Å
190	T	95.8	Very high	91.9	Very high	53 Å²	53	67 Å²	67	33%	0.325	31%	0.312	S	S	.	.			trans	-64.3	170.1	169.5	76.8	0	0	0	0	110.5	D188 E192 Q193 T194	D188-T190 VanDerWaalsContact C-N 3.3Å; D188-T190 HydrophobicContact CB-CG2 4.3Å; D188-T190 PolarHBondContact O-N 3.46Å; T190-E192 VanDerWaalsContact C-N 3.35Å; T190-E192 PolarHBondContact O-N 3.27Å; T190-E192 PolarHBondContact OG1-OE2 2.81Å; T190-Q193 PolarHBondContact O-N 3.3Å; T190-Q193 PolarHBondContact OG1-N 3.01Å; T190-T194 WeakPolarHBondContact O-CB 3.23Å; T190-T194 PolarHBondContact O-N 3.2Å; T190-T194 PolarHBondContact O-OG1 3.47Å
191	F	96.1	Very high	92.1	Very high	49 Å²	49	61.8 Å²	61.8	22%	0.215	29%	0.287	C	S	.	.	H	α-helix	trans	-53.7	-51.6	176.5	176.4	-100.5	0	0	0	111.9	C47 Q193 T194 V195 V219 T221 H238	C47-F191 HydrophobicContact CB-CD2 3.86Å; F191-Q193 PolarHBondContact O-N 2.7Å; F191-T194 PolarHBondContact O-N 2.74Å; F191-V195 HydrophobicContact CE1-CG2 4.1Å; F191-V195 HydrophobicContact CE2-CG2 4.11Å; F191-V195 HydrophobicContact CZ-CG2 3.87Å; F191-V195 WeakPolarHBondContact O-CG2 3.34Å; F191-V195 PolarHBondContact O-N 3.28Å; F191-V219 HydrophobicContact CE2-CB 4.19Å; F191-V219 HydrophobicContact CE2-CG1 4.13Å; F191-V219 HydrophobicContact CE2-CG2 4.4Å; F191-V219 HydrophobicContact CZ-CG1 4.29Å; F191-T221 HydrophobicContact CD2-CG2 3.79Å; F191-T221 HydrophobicContact CE2-CG2 3.82Å; F191-H238 AromaticContact CE1-NE2 3.98Å
192	E	95.2	Very high	92.2	Very high	88 Å²	88	54.4 Å²	54.4	41%	0.411	26%	0.255	S	S	.	.	H	α-helix	trans	-61.6	-49.2	-178.6	-57.9	71.2	-154.2	0	0	110.7	T190 T194 V195 E196	T190-E192 VanDerWaalsContact C-N 3.35Å; T190-E192 PolarHBondContact O-N 3.27Å; T190-E192 PolarHBondContact OG1-OE2 2.81Å; E192-T194 PolarHBondContact O-N 2.92Å; E192-V195 PolarHBondContact O-N 2.9Å; E192-E196 VanDerWaalsContact O-CB 3.24Å; E192-E196 WeakPolarHBondContact O-CB 3.23Å; E192-E196 WeakPolarHBondContact O-CG 3.17Å; E192-E196 PolarHBondContact O-N 2.85Å
193	Q	94.6	Very high	92.5	Very high	44 Å²	44	52.8 Å²	52.8	21%	0.206	25%	0.251	C	S	.	.	H	α-helix	trans	-60.9	-32.8	179.4	-69.3	178.6	-7.7	0	0	112.6	T190 F191 T197	T190-Q193 PolarHBondContact O-N 3.3Å; T190-Q193 PolarHBondContact OG1-N 3.01Å; F191-Q193 PolarHBondContact O-N 2.7Å; Q193-T197 WeakPolarHBondContact O-CB 3.17Å; Q193-T197 PolarHBondContact O-N 3.14Å; Q193-T197 PolarHBondContact O-OG1 3.35Å
194	T	97.1	Very high	93	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-72.5	-46.7	178.9	-55.5	0	0	0	0	110.9	V42 G44 V49 T190 F191 E192 T197 A198	V42-T194 HydrophobicContact CB-CG2 4.04Å; V42-T194 HydrophobicContact CG1-CG2 3.93Å; G44-T194 WeakPolarHBondContact CA-OG1 3.32Å; V49-T194 HydrophobicContact CB-CG2 4.23Å; V49-T194 HydrophobicContact CG2-CG2 3.75Å; T190-T194 WeakPolarHBondContact O-CB 3.23Å; T190-T194 PolarHBondContact O-N 3.2Å; T190-T194 PolarHBondContact O-OG1 3.47Å; F191-T194 PolarHBondContact O-N 2.74Å; E192-T194 PolarHBondContact O-N 2.92Å; T194-T197 PolarHBondContact O-N 3.43Å; T194-A198 PolarHBondContact O-N 3.5Å; T194-A198 VanDerWaalsContact O-N 3.15Å
195	V	97.4	Very high	93.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.9	-50.9	175.2	175.3	0	0	0	0	110.5	V49 F191 E192 T197 A198 I199 V217 H238	V49-V195 HydrophobicContact CG1-CG2 4.18Å; V49-V195 HydrophobicContact CG2-CG2 3.7Å; F191-V195 HydrophobicContact CE1-CG2 4.1Å; F191-V195 HydrophobicContact CE2-CG2 4.11Å; F191-V195 HydrophobicContact CZ-CG2 3.87Å; F191-V195 WeakPolarHBondContact O-CG2 3.34Å; F191-V195 PolarHBondContact O-N 3.28Å; E192-V195 PolarHBondContact O-N 2.9Å; V195-T197 PolarHBondContact O-N 3.37Å; V195-A198 WeakPolarHBondContact O-CB 3.48Å; V195-A198 PolarHBondContact O-N 3.23Å; V195-A198 VanDerWaalsContact O-N 3.15Å; V195-I199 HydrophobicContact CG1-CD1 3.83Å; V195-I199 HydrophobicContact CG1-CG1 4.47Å; V195-I199 WeakPolarHBondContact O-CG1 3.29Å; V195-I199 PolarHBondContact O-N 2.97Å; V195-V217 HydrophobicContact CG1-CG1 4.48Å; V195-H238 HydrophobicContact CG1-CB 4.37Å
196	E	95.1	Very high	94.1	Very high	17 Å²	17	42.3 Å²	42.3	8%	0.079	21%	0.211	C	C	.	.	H	α-helix	trans	-58.4	-46.4	178.6	-75.3	178	-148.2	0	0	111.8	E192 A198 I199 T200 L242 R245	E192-E196 VanDerWaalsContact O-CB 3.24Å; E192-E196 WeakPolarHBondContact O-CB 3.23Å; E192-E196 WeakPolarHBondContact O-CG 3.17Å; E192-E196 PolarHBondContact O-N 2.85Å; E196-A198 VanDerWaalsContact C-N 3.26Å; E196-A198 PolarHBondContact O-N 3.07Å; E196-I199 PolarHBondContact O-N 3.45Å; E196-T200 WeakPolarHBondContact O-CB 3.47Å; E196-T200 PolarHBondContact O-N 3.43Å; E196-T200 PolarHBondContact O-OG1 3.29Å; E196-L242 HydrophobicContact CB-CD2 3.74Å; E196-L242 HydrophobicContact CB-CG 4.37Å; E196-L242 HydrophobicContact CG-CD1 4.49Å; E196-L242 HydrophobicContact CG-CD2 3.7Å; E196-L242 HydrophobicContact CG-CG 3.95Å; E196-R245 IonicContact OE1-CZ 3.24Å; E196-R245 IonicContact OE1-NH1 2.79Å; E196-R245 PolarHBondContact OE1-NH1 3.06Å; E196-R245 IonicContact OE1-NH2 2.82Å; E196-R245 PolarHBondContact OE1-NH2 3.41Å; E196-R245 IonicContact OE2-CZ 3.47Å; E196-R245 IonicContact OE2-NH1 2.76Å; E196-R245 PolarHBondContact OE2-NH1 3.42Å
197	T	96.7	Very high	95.4	Very high	10 Å²	10	37.3 Å²	37.3	6%	0.061	20%	0.204	C	C	.	.	H	α-helix	trans	-59.7	-38.5	178.1	-63.9	0	0	0	0	111.8	L179 K182 W189 Q193 T194 V195 C201	L179-T197 HydrophobicContact CD2-CG2 4.36Å; K182-T197 HydrophobicContact CB-CG2 4.44Å; W189-T197 HydrophobicContact CH2-CG2 4.09Å; W189-T197 HydrophobicContact CZ3-CG2 3.98Å; Q193-T197 WeakPolarHBondContact O-CB 3.17Å; Q193-T197 PolarHBondContact O-N 3.14Å; Q193-T197 PolarHBondContact O-OG1 3.35Å; T194-T197 PolarHBondContact O-N 3.43Å; V195-T197 PolarHBondContact O-N 3.37Å; T197-C201 WeakPolarHBondContact O-CB 3.44Å; T197-C201 PolarHBondContact O-N 3.39Å
198	A	98.1	Very high	96.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-67.6	-44.9	177.7	0	0	0	0	0	111.8	V40 V42 V49 V51 T194 V195 E196 L202	V40-A198 HydrophobicContact CG1-CB 4.42Å; V42-A198 HydrophobicContact CB-CB 4.45Å; V42-A198 HydrophobicContact CG2-CB 3.8Å; V49-A198 HydrophobicContact CG1-CB 4.39Å; V51-A198 HydrophobicContact CB-CB 4.33Å; V51-A198 HydrophobicContact CG2-CB 3.5Å; V51-A198 VanDerWaalsContact CG2-CB 3.5Å; T194-A198 PolarHBondContact O-N 3.5Å; T194-A198 VanDerWaalsContact O-N 3.15Å; V195-A198 WeakPolarHBondContact O-CB 3.48Å; V195-A198 PolarHBondContact O-N 3.23Å; V195-A198 VanDerWaalsContact O-N 3.15Å; E196-A198 VanDerWaalsContact C-N 3.26Å; E196-A198 PolarHBondContact O-N 3.07Å; A198-L202 PolarHBondContact O-N 3.22Å; A198-L202 VanDerWaalsContact O-N 3.16Å
199	I	98	Very high	96.5	Very high	3 Å²	3	39 Å²	39	2%	0.015	22%	0.215	C	C	.	.	H	α-helix	trans	-65.2	-50.5	177.4	-64.1	173.5	0	0	0	110.8	V51 V195 E196 C201 L202 S203 I215 H238 L239 L242	V51-I199 HydrophobicContact CG1-CG1 4.35Å; V51-I199 HydrophobicContact CG2-CG1 4.05Å; V195-I199 HydrophobicContact CG1-CD1 3.83Å; V195-I199 HydrophobicContact CG1-CG1 4.47Å; V195-I199 WeakPolarHBondContact O-CG1 3.29Å; V195-I199 PolarHBondContact O-N 2.97Å; E196-I199 PolarHBondContact O-N 3.45Å; I199-C201 VanDerWaalsContact C-N 3.29Å; I199-C201 PolarHBondContact O-N 3.15Å; I199-L202 PolarHBondContact O-N 3.27Å; I199-L202 VanDerWaalsContact O-N 3.12Å; I199-S203 WeakPolarHBondContact O-CB 3.42Å; I199-S203 PolarHBondContact O-N 3.4Å; I199-I215 HydrophobicContact CD1-CD1 4.29Å; I199-I215 HydrophobicContact CG1-CD1 4.22Å; I199-I215 HydrophobicContact CG2-CD1 4.34Å; I199-H238 HydrophobicContact CD1-CB 4.23Å; I199-L239 HydrophobicContact CG2-CD2 3.79Å; I199-L242 HydrophobicContact CB-CD1 4.02Å; I199-L242 HydrophobicContact CG2-CD1 3.71Å
200	T	97.1	Very high	96.7	Very high	34 Å²	34	38.2 Å²	38.2	21%	0.209	21%	0.213	C	C	.	.	H	α-helix	trans	-60.9	-38.7	179.2	-51.7	0	0	0	0	111.5	F178 E196 S203 T204 L242	F178-T200 HydrophobicContact CZ-CG2 4.01Å; E196-T200 WeakPolarHBondContact O-CB 3.47Å; E196-T200 PolarHBondContact O-N 3.43Å; E196-T200 PolarHBondContact O-OG1 3.29Å; T200-S203 PolarHBondContact O-N 3.3Å; T200-T204 VanDerWaalsContact O-CB 3.26Å; T200-T204 WeakPolarHBondContact O-CB 3.34Å; T200-T204 PolarHBondContact O-N 3.12Å; T200-T204 PolarHBondContact O-OG1 3.42Å; T200-L242 WeakPolarHBondContact OG1-CD2 3.5Å
201	C	98	Very high	96.8	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.6	-51.5	174.3	180	0	0	0	0	110.6	V40 F178 L179 T197 I199 T204 V205	V40-C201 HydrophobicContact CG1-CB 4.4Å; F178-C201 HydrophobicContact CD1-CB 3.53Å; F178-C201 VanDerWaalsContact CD1-SG 3.55Å; F178-C201 VanDerWaalsContact CE1-CA 3.44Å; F178-C201 HydrophobicContact CE1-CB 3.56Å; F178-C201 HydrophobicContact CG-CB 4.44Å; F178-C201 HydrophobicContact CZ-CB 4.48Å; L179-C201 HydrophobicContact CD2-CB 4.13Å; T197-C201 WeakPolarHBondContact O-CB 3.44Å; T197-C201 PolarHBondContact O-N 3.39Å; I199-C201 VanDerWaalsContact C-N 3.29Å; I199-C201 PolarHBondContact O-N 3.15Å; C201-T204 PolarHBondContact O-N 3.2Å; C201-V205 WeakPolarHBondContact O-CG1 3.41Å; C201-V205 WeakPolarHBondContact O-CG2 3.46Å; C201-V205 PolarHBondContact O-N 2.7Å; C201-V205 VanDerWaalsContact O-N 3.15Å
202	L	97.8	Very high	96.8	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.9	-41.7	-177.7	-170.9	61.1	0	0	0	111.7	T38 V40 V51 Q53 A198 I199 V205 L206 F210 I215	T38-L202 HydrophobicContact CG2-CD1 3.96Å; V40-L202 HydrophobicContact CG2-CB 4.35Å; V40-L202 HydrophobicContact CG2-CD1 4.2Å; V51-L202 HydrophobicContact CB-CD2 4.49Å; V51-L202 HydrophobicContact CG1-CD2 3.71Å; Q53-L202 HydrophobicContact CG-CD1 4.38Å; Q53-L202 HydrophobicContact CG-CD2 4.14Å; A198-L202 PolarHBondContact O-N 3.22Å; A198-L202 VanDerWaalsContact O-N 3.16Å; I199-L202 PolarHBondContact O-N 3.27Å; I199-L202 VanDerWaalsContact O-N 3.12Å; L202-V205 WeakPolarHBondContact O-CG2 3.39Å; L202-L206 HydrophobicContact CD1-CD1 3.57Å; L202-L206 HydrophobicContact CD1-CG 4.41Å; L202-L206 HydrophobicContact CG-CD1 3.83Å; L202-L206 WeakPolarHBondContact O-CB 3.28Å; L202-L206 WeakPolarHBondContact O-CD1 3.45Å; L202-L206 WeakPolarHBondContact O-CG 3.42Å; L202-L206 PolarHBondContact O-N 2.97Å; L202-F210 HydrophobicContact CB-CE2 4.2Å; L202-F210 HydrophobicContact CD2-CE2 4.18Å; L202-F210 HydrophobicContact CD2-CZ 4.2Å; L202-F210 HydrophobicContact CG-CE2 3.93Å; L202-F210 HydrophobicContact CG-CZ 3.94Å; L202-I215 HydrophobicContact CD2-CG2 4.29Å
203	S	97.6	Very high	96.9	Very high	23 Å²	23	39.5 Å²	39.5	16%	0.161	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-47.6	176.3	164.7	0	0	0	0	111.3	I199 T200 V205 L206 S207 I208	I199-S203 WeakPolarHBondContact O-CB 3.42Å; I199-S203 PolarHBondContact O-N 3.4Å; T200-S203 PolarHBondContact O-N 3.3Å; S203-V205 PolarHBondContact O-N 2.85Å; S203-L206 PolarHBondContact O-N 3.34Å; S203-S207 VanDerWaalsContact O-CA 3.3Å; S203-S207 WeakPolarHBondContact O-CA 3.36Å; S203-S207 PolarHBondContact O-N 2.83Å; S203-I208 WeakPolarHBondContact CA-O 3.18Å; S203-I208 WeakPolarHBondContact CB-O 3.5Å; S203-I208 PolarHBondContact O-N 3.11Å; S203-I208 VanDerWaalsContact O-N 3.17Å; S203-I208 PolarHBondContact OG-O 2.98Å
204	T	97.6	Very high	97.1	Very high	71 Å²	71	40.7 Å²	40.7	44%	0.436	23%	0.228	S	C	.	.	H	α-helix	trans	-61.6	-47.9	-178.5	-58.1	0	0	0	0	111.8	F178 T200 C201 L206 S207	F178-T204 HydrophobicContact CD2-CG2 4Å; F178-T204 HydrophobicContact CE2-CG2 3.96Å; T200-T204 VanDerWaalsContact O-CB 3.26Å; T200-T204 WeakPolarHBondContact O-CB 3.34Å; T200-T204 PolarHBondContact O-N 3.12Å; T200-T204 PolarHBondContact O-OG1 3.42Å; C201-T204 PolarHBondContact O-N 3.2Å; T204-L206 VanDerWaalsContact C-N 3.27Å; T204-L206 PolarHBondContact O-N 3.39Å; T204-S207 PolarHBondContact O-N 3.26Å
205	V	97.9	Very high	97.1	Very high	19 Å²	19	40.9 Å²	40.9	12%	0.115	23%	0.229	C	C	.	.	H	α-helix	trans	-74.2	-19.7	-174.7	-59.1	0	0	0	0	113.5	K171 E174 C201 L202 S203	K171-V205 HydrophobicContact CB-CB 4.36Å; K171-V205 HydrophobicContact CB-CG2 4.04Å; E174-V205 HydrophobicContact CB-CB 4.18Å; E174-V205 HydrophobicContact CB-CG1 3.92Å; C201-V205 WeakPolarHBondContact O-CG1 3.41Å; C201-V205 WeakPolarHBondContact O-CG2 3.46Å; C201-V205 PolarHBondContact O-N 2.7Å; C201-V205 VanDerWaalsContact O-N 3.15Å; L202-V205 WeakPolarHBondContact O-CG2 3.39Å; S203-V205 PolarHBondContact O-N 2.85Å
206	L	97.3	Very high	97.2	Very high	39 Å²	39	41.7 Å²	41.7	20%	0.204	23%	0.233	C	C	.	.	H	α-helix	trans	-98.1	-15.1	174.5	-66.1	168.4	0	0	0	112.7	Q53 K171 L202 S203 T204 I208 F210	Q53-L206 HydrophobicContact CG-CD1 3.87Å; K171-L206 HydrophobicContact CG-CD2 3.94Å; L202-L206 HydrophobicContact CD1-CD1 3.57Å; L202-L206 HydrophobicContact CD1-CG 4.41Å; L202-L206 HydrophobicContact CG-CD1 3.83Å; L202-L206 WeakPolarHBondContact O-CB 3.28Å; L202-L206 WeakPolarHBondContact O-CD1 3.45Å; L202-L206 WeakPolarHBondContact O-CG 3.42Å; L202-L206 PolarHBondContact O-N 2.97Å; S203-L206 PolarHBondContact O-N 3.34Å; T204-L206 VanDerWaalsContact C-N 3.27Å; T204-L206 PolarHBondContact O-N 3.39Å; L206-I208 VanDerWaalsContact C-N 3.31Å; L206-I208 HydrophobicContact CB-CB 4.38Å; L206-I208 HydrophobicContact CB-CD1 4.04Å; L206-I208 HydrophobicContact CB-CG1 4.17Å; L206-F210 HydrophobicContact CD1-CE1 4.49Å; L206-F210 HydrophobicContact CD1-CZ 3.78Å
207	S	96.8	Very high	97.4	Very high	113 Å²	113	40.9 Å²	40.9	79%	0.79	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	48	-172.1	-51.7	0	0	0	0	111.5	S203 T204	S203-S207 VanDerWaalsContact O-CA 3.3Å; S203-S207 WeakPolarHBondContact O-CA 3.36Å; S203-S207 PolarHBondContact O-N 2.83Å; T204-S207 PolarHBondContact O-N 3.26Å
208	I	95.3	Very high	97.5	Very high	68 Å²	68	40.4 Å²	40.4	35%	0.349	23%	0.226	S	C	.	.			trans	-131.2	131.1	-178.5	-64.5	172.7	0	0	0	109.1	S203 L206 F210	S203-I208 WeakPolarHBondContact CA-O 3.18Å; S203-I208 WeakPolarHBondContact CB-O 3.5Å; S203-I208 PolarHBondContact O-N 3.11Å; S203-I208 VanDerWaalsContact O-N 3.17Å; S203-I208 PolarHBondContact OG-O 2.98Å; L206-I208 VanDerWaalsContact C-N 3.31Å; L206-I208 HydrophobicContact CB-CB 4.38Å; L206-I208 HydrophobicContact CB-CD1 4.04Å; L206-I208 HydrophobicContact CB-CG1 4.17Å; I208-F210 HydrophobicContact CB-CD1 4.5Å; I208-F210 HydrophobicContact CB-CE1 4.09Å; I208-F210 HydrophobicContact CB-CZ 4.34Å; I208-F210 HydrophobicContact CG2-CD1 3.67Å; I208-F210 HydrophobicContact CG2-CE1 3.67Å; I208-F210 HydrophobicContact CG2-CG 4.36Å; I208-F210 HydrophobicContact CG2-CZ 4.36Å
209	D	94.3	Very high	97.5	Very high	149 Å²	149	40.5 Å²	40.5	80%	0.797	23%	0.227	S	C	*	.			trans	-88.6	115.4	163.4	-60.6	-35.3	0	0	0	108.2
210	F	96.8	Very high	97.5	Very high	22 Å²	22	40.3 Å²	40.3	10%	0.096	23%	0.226	C	C	.	.			trans	-81	143.5	-171.2	-67	-63.7	0	0	0	112.3	L202 L206 I208 E214 I215 L239	L202-F210 HydrophobicContact CB-CE2 4.2Å; L202-F210 HydrophobicContact CD2-CE2 4.18Å; L202-F210 HydrophobicContact CD2-CZ 4.2Å; L202-F210 HydrophobicContact CG-CE2 3.93Å; L202-F210 HydrophobicContact CG-CZ 3.94Å; L206-F210 HydrophobicContact CD1-CE1 4.49Å; L206-F210 HydrophobicContact CD1-CZ 3.78Å; I208-F210 HydrophobicContact CB-CD1 4.5Å; I208-F210 HydrophobicContact CB-CE1 4.09Å; I208-F210 HydrophobicContact CB-CZ 4.34Å; I208-F210 HydrophobicContact CG2-CD1 3.67Å; I208-F210 HydrophobicContact CG2-CE1 3.67Å; I208-F210 HydrophobicContact CG2-CG 4.36Å; I208-F210 HydrophobicContact CG2-CZ 4.36Å; F210-E214 HydrophobicContact CD1-CB 4.04Å; F210-I215 HydrophobicContact CB-CD1 4.33Å; F210-I215 HydrophobicContact CB-CG1 4.45Å; F210-I215 HydrophobicContact CB-CG2 4.12Å; F210-I215 HydrophobicContact CD1-CG2 3.66Å; F210-I215 HydrophobicContact CD2-CG2 3.72Å; F210-I215 HydrophobicContact CE1-CG2 3.93Å; F210-I215 HydrophobicContact CE2-CG2 3.97Å; F210-I215 HydrophobicContact CG-CG2 3.55Å; F210-I215 HydrophobicContact CZ-CG2 4.08Å; F210-L239 HydrophobicContact CB-CD2 4.44Å; F210-L239 WeakPolarHBondContact O-CD1 3.22Å
211	K	97.4	Very high	97.6	Very high	133 Å²	133	40.1 Å²	40.1	58%	0.578	23%	0.225	S	C	*	.			trans	-80.2	155	155	-65.4	177.3	-177.3	176.1	0	110	S213 E214	K211-S213 PolarHBondContact O-N 3.43Å; K211-S213 VanDerWaalsContact O-N 3.08Å; K211-E214 HydrophobicContact CB-CG 4.09Å; K211-E214 PolarHBondContact N-OE2 3.19Å; K211-E214 WeakPolarHBondContact O-CB 3.4Å; K211-E214 PolarHBondContact O-N 3.38Å
212	P	97.4	Very high	97.6	Very high	28 Å²	28	43.5 Å²	43.5	18%	0.182	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-57.9	-27.6	178.2	22.8	-34.6	0	0	0	113.3	E214 E232 I235 D236 L239	P212-E214 VanDerWaalsContact C-N 3.31Å; P212-E214 PolarHBondContact O-N 3.24Å; P212-E232 HydrophobicContact CB-CB 4.24Å; P212-E232 WeakPolarHBondContact CB-O 3.22Å; P212-I235 HydrophobicContact CB-CB 4.25Å; P212-I235 HydrophobicContact CB-CG2 4.06Å; P212-D236 HydrophobicContact CB-CB 4.09Å; P212-D236 HydrophobicContact CG-CB 4.08Å; P212-L239 HydrophobicContact CB-CD1 4.24Å
213	S	97.2	Very high	97.5	Very high	56 Å²	56	52.5 Å²	52.5	39%	0.392	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-76.4	-10.4	177.2	61.2	0	0	0	0	114.9	K211	K211-S213 PolarHBondContact O-N 3.43Å; K211-S213 VanDerWaalsContact O-N 3.08Å
214	E	97.8	Very high	97.5	Very high	70 Å²	70	55.3 Å²	55.3	33%	0.327	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-99.5	-6	-173.1	-66.2	174.3	158.1	0	0	113.4	K54 F210 K211 P212	K54-E214 PolarHBondContact N-O 2.84Å; F210-E214 HydrophobicContact CD1-CB 4.04Å; K211-E214 HydrophobicContact CB-CG 4.09Å; K211-E214 PolarHBondContact N-OE2 3.19Å; K211-E214 WeakPolarHBondContact O-CB 3.4Å; K211-E214 PolarHBondContact O-N 3.38Å; P212-E214 VanDerWaalsContact C-N 3.31Å; P212-E214 PolarHBondContact O-N 3.24Å
215	I	98.4	Very high	97.5	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.015	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	154.2	176	56.8	173.3	0	0	0	110.6	V51 T52 I199 L202 F210 V217 I235 L239	V51-I215 HydrophobicContact CG1-CB 4.3Å; V51-I215 HydrophobicContact CG1-CD1 4.41Å; V51-I215 HydrophobicContact CG1-CG2 4.47Å; T52-I215 CarbonylContact O-C 3.54Å; T52-I215 VanDerWaalsContact O-CA 3.27Å; T52-I215 WeakPolarHBondContact O-CA 3.42Å; I199-I215 HydrophobicContact CD1-CD1 4.29Å; I199-I215 HydrophobicContact CG1-CD1 4.22Å; I199-I215 HydrophobicContact CG2-CD1 4.34Å; L202-I215 HydrophobicContact CD2-CG2 4.29Å; F210-I215 HydrophobicContact CB-CD1 4.33Å; F210-I215 HydrophobicContact CB-CG1 4.45Å; F210-I215 HydrophobicContact CB-CG2 4.12Å; F210-I215 HydrophobicContact CD1-CG2 3.66Å; F210-I215 HydrophobicContact CD2-CG2 3.72Å; F210-I215 HydrophobicContact CE1-CG2 3.93Å; F210-I215 HydrophobicContact CE2-CG2 3.97Å; F210-I215 HydrophobicContact CG-CG2 3.55Å; F210-I215 HydrophobicContact CZ-CG2 4.08Å; I215-V217 HydrophobicContact CD1-CG2 4.41Å; I215-I235 HydrophobicContact CD1-CG2 3.8Å; I215-I235 HydrophobicContact CG1-CG2 3.9Å; I215-L239 HydrophobicContact CD1-CD2 4.36Å
216	E	98.6	Very high	97.5	Very high	17 Å²	17	59 Å²	59	8%	0.079	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139	167.9	-57.9	177.4	103.8	0	0	108.6	V51 T52 K54 T67 H68 L69	V51-E216 WeakPolarHBondContact CA-O 3.38Å; T52-E216 HydrophobicContact CG2-CB 4.09Å; T52-E216 PolarHBondContact N-O 2.93Å; T52-E216 PolarHBondContact O-N 3.34Å; K54-E216 HydrophobicContact CB-CG 4.08Å; K54-E216 HydrophobicContact CD-CG 3.83Å; K54-E216 HydrophobicContact CG-CG 4.28Å; T67-E216 WeakPolarHBondContact CA-OE2 3.47Å; T67-E216 WeakPolarHBondContact CB-OE1 3.28Å; T67-E216 VanDerWaalsContact OG1-CD 3.25Å; T67-E216 PolarHBondContact OG1-OE1 3.2Å; T67-E216 PolarHBondContact OG1-OE2 3.48Å; H68-E216 PolarHBondContact N-OE2 2.82Å; H68-E216 VanDerWaalsContact N-OE2 3.17Å; L69-E216 HydrophobicContact CD1-CB 3.63Å; L69-E216 HydrophobicContact CG-CB 4.13Å
217	V	98.8	Very high	97.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	120.8	179.8	-173.4	0	0	0	0	109.4	V49 I50 V51 V195 I215 V219 I229 L230 I235	V49-V217 HydrophobicContact CG1-CG1 3.85Å; I50-V217 CarbonylContact O-C 3.49Å; I50-V217 WeakPolarHBondContact O-CA 3.26Å; V51-V217 HydrophobicContact CG1-CG2 4.38Å; V51-V217 HydrophobicContact CG2-CG1 4.23Å; V51-V217 HydrophobicContact CG2-CG2 4.14Å; V195-V217 HydrophobicContact CG1-CG1 4.48Å; I215-V217 HydrophobicContact CD1-CG2 4.41Å; V217-V219 HydrophobicContact CG1-CG1 4Å; V217-I229 WeakPolarHBondContact O-CA 3.42Å; V217-L230 HydrophobicContact CB-CB 4.22Å; V217-L230 HydrophobicContact CB-CD1 3.85Å; V217-L230 HydrophobicContact CB-CG 4.01Å; V217-L230 HydrophobicContact CG1-CD1 3.64Å; V217-L230 HydrophobicContact CG1-CG 4.03Å; V217-L230 PolarHBondContact O-N 2.9Å; V217-I235 HydrophobicContact CB-CD1 4.37Å; V217-I235 HydrophobicContact CB-CG1 4.28Å; V217-I235 HydrophobicContact CG2-CD1 4.05Å; V217-I235 HydrophobicContact CG2-CG1 3.92Å
218	G	98.8	Very high	97.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.4	174.8	0	0	0	0	0	110.4	V49 I50 R228	V49-G218 WeakPolarHBondContact CA-O 3.43Å; I50-G218 PolarHBondContact N-O 3.46Å; I50-G218 PolarHBondContact O-N 3.03Å; G218-R228 CarbonylContact C-O 2.98Å; G218-R228 WeakPolarHBondContact CA-O 3.4Å
219	V	98.7	Very high	97.8	Very high	2 Å²	2	57 Å²	57	1%	0.012	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	150	-175.1	-56.1	0	0	0	0	112.2	A48 V49 F191 V217 R228 L230	A48-V219 WeakPolarHBondContact O-CA 3.47Å; V49-V219 HydrophobicContact CG1-CG1 4.15Å; V49-V219 HydrophobicContact CG2-CG1 4.05Å; F191-V219 HydrophobicContact CE2-CB 4.19Å; F191-V219 HydrophobicContact CE2-CG1 4.13Å; F191-V219 HydrophobicContact CE2-CG2 4.4Å; F191-V219 HydrophobicContact CZ-CG1 4.29Å; V217-V219 HydrophobicContact CG1-CG1 4Å; V219-R228 HydrophobicContact CG2-CB 4.2Å; V219-R228 PolarHBondContact N-O 3.35Å; V219-R228 PolarHBondContact O-N 2.85Å; V219-L230 HydrophobicContact CG1-CD1 4.43Å; V219-L230 HydrophobicContact CG1-CD2 4.32Å; V219-L230 HydrophobicContact CG1-CG 4.3Å; V219-L230 HydrophobicContact CG2-CD2 3.86Å
220	V	98.6	Very high	98	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	141.5	161.8	-69.1	0	0	0	0	108.4	C47 A48 I141 I143 F227	C47-V220 CarbonylContact C-O 3.53Å; C47-V220 WeakPolarHBondContact CA-O 3.34Å; C47-V220 VanDerWaalsContact CB-O 3.28Å; C47-V220 WeakPolarHBondContact CB-O 3.38Å; A48-V220 HydrophobicContact CB-CG2 3.81Å; A48-V220 PolarHBondContact N-O 3.1Å; A48-V220 PolarHBondContact O-N 2.94Å; I141-V220 HydrophobicContact CB-CG2 4.25Å; I141-V220 HydrophobicContact CD1-CG1 4.44Å; I141-V220 HydrophobicContact CD1-CG2 4.08Å; I141-V220 HydrophobicContact CG1-CG1 4.43Å; I141-V220 HydrophobicContact CG1-CG2 4.19Å; I143-V220 HydrophobicContact CD1-CB 4.06Å; I143-V220 HydrophobicContact CD1-CG2 3.75Å; I143-V220 HydrophobicContact CG1-CB 4.07Å; I143-V220 HydrophobicContact CG1-CG2 4.19Å; V220-F227 HydrophobicContact CG1-CB 4.03Å; V220-F227 HydrophobicContact CG1-CD2 4.01Å
221	T	98.4	Very high	98.1	Very high	30 Å²	30	52.1 Å²	52.1	18%	0.184	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	155.3	177.4	70.3	0	0	0	0	110.6	D46 C47 I143 F191 E223 N224 P225	D46-T221 CarbonylContact O-C 3.51Å; D46-T221 VanDerWaalsContact O-CA 3.32Å; D46-T221 WeakPolarHBondContact O-CA 3.4Å; C47-T221 HydrophobicContact CB-CG2 3.92Å; I143-T221 WeakPolarHBondContact CG1-O 3.35Å; F191-T221 HydrophobicContact CD2-CG2 3.79Å; F191-T221 HydrophobicContact CE2-CG2 3.82Å; T221-E223 VanDerWaalsContact C-N 3.29Å; T221-E223 PolarHBondContact O-N 3.42Å; T221-N224 PolarHBondContact N-O 3.1Å; T221-N224 CarbonylContact O-C 3.58Å; T221-N224 PolarHBondContact O-N 3.12Å; T221-N224 PolarHBondContact OG1-N 3.43Å; T221-N224 VanDerWaalsContact OG1-N 3.11Å; T221-N224 PolarHBondContact OG1-O 3.03Å; T221-P225 WeakPolarHBondContact O-CA 3.33Å; T221-P225 VanDerWaalsContact O-N 3.12Å
222	V	97.7	Very high	98.1	Very high	70 Å²	70	50.6 Å²	50.6	42%	0.424	26%	0.261	S	S	.	.	S	Bend	trans	-61.9	-40.1	177.1	173.8	0	0	0	0	111	D46 I143 P149 N224	D46-V222 HydrophobicContact CB-CB 4.5Å; D46-V222 HydrophobicContact CB-CG2 4.29Å; D46-V222 PolarHBondContact O-N 3.43Å; I143-V222 HydrophobicContact CD1-CG2 4.43Å; I143-V222 HydrophobicContact CG2-CG2 4.23Å; P149-V222 HydrophobicContact CG-CG2 4.15Å; V222-N224 VanDerWaalsContact C-N 3.34Å; V222-N224 PolarHBondContact O-N 3.26Å
223	E	97.3	Very high	98.1	Very high	190 Å²	190	52.9 Å²	52.9	89%	0.888	28%	0.283	S	S	*	.	S	Bend	trans	-65.7	-35.3	178.1	-62.9	-176.9	171.7	0	0	113	T221	T221-E223 VanDerWaalsContact C-N 3.29Å; T221-E223 PolarHBondContact O-N 3.42Å
224	N	96.7	Very high	98.2	Very high	82 Å²	82	53.5 Å²	53.5	44%	0.439	28%	0.279	S	S	.	.	S	Bend	trans	-134.6	89.1	176.2	-171.8	-4.9	0	0	0	109.5	T221 V222 K226	T221-N224 PolarHBondContact N-O 3.1Å; T221-N224 CarbonylContact O-C 3.58Å; T221-N224 PolarHBondContact O-N 3.12Å; T221-N224 PolarHBondContact OG1-N 3.43Å; T221-N224 VanDerWaalsContact OG1-N 3.11Å; T221-N224 PolarHBondContact OG1-O 3.03Å; V222-N224 VanDerWaalsContact C-N 3.34Å; V222-N224 PolarHBondContact O-N 3.26Å; N224-K226 PolarHBondContact O-N 2.93Å; N224-K226 PolarHBondContact OD1-N 2.93Å
225	P	97.3	Very high	98.2	Very high	49 Å²	49	50.3 Å²	50.3	32%	0.318	27%	0.265	S	S	.	.			trans	-70	-5.5	-171.9	27.4	-35.2	0	0	0	113.5	N75 I143 T221	N75-P225 WeakPolarHBondContact CA-O 3.5Å; I143-P225 HydrophobicContact CB-CB 4.16Å; I143-P225 HydrophobicContact CG1-CB 4.12Å; T221-P225 WeakPolarHBondContact O-CA 3.33Å; T221-P225 VanDerWaalsContact O-N 3.12Å
226	K	98.4	Very high	98.2	Very high	118 Å²	118	53.7 Å²	53.7	51%	0.513	28%	0.282	S	S	.	.	S	Bend	trans	-69.5	133.2	177	-65.4	-175.3	-179.6	-178.8	0	110.7	E74 N224 R228	E74-K226 CarbonylContact O-C 3.58Å; E74-K226 WeakPolarHBondContact O-CA 3.43Å; N224-K226 PolarHBondContact O-N 2.93Å; N224-K226 PolarHBondContact OD1-N 2.93Å; K226-R228 PolarHBondContact O-N 3.08Å
227	F	98.8	Very high	98.1	Very high	9 Å²	9	55.8 Å²	55.8	4%	0.039	30%	0.303	C	S	.	.			trans	-64.5	125.3	173.9	178.1	-115	0	0	0	110.9	L69 K71 E74 G77 I141 V220 I229	L69-F227 HydrophobicContact CB-CZ 4.39Å; K71-F227 HydrophobicContact CB-CD1 4.03Å; K71-F227 HydrophobicContact CG-CD1 4.32Å; E74-F227 PolarHBondContact O-N 3.28Å; G77-F227 VanDerWaalsContact CA-CG 3.42Å; I141-F227 HydrophobicContact CD1-CD2 4.22Å; I141-F227 HydrophobicContact CD1-CE2 4.02Å; I141-F227 HydrophobicContact CG1-CD2 4.43Å; I141-F227 HydrophobicContact CG1-CE2 4.42Å; V220-F227 HydrophobicContact CG1-CB 4.03Å; V220-F227 HydrophobicContact CG1-CD2 4.01Å; F227-I229 HydrophobicContact CE1-CD1 4.25Å; F227-I229 HydrophobicContact CE1-CG1 3.86Å; F227-I229 HydrophobicContact CZ-CG1 3.98Å
228	R	98.4	Very high	98.1	Very high	94 Å²	94	57.1 Å²	57.1	36%	0.355	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.1	-177.6	-170.9	171.1	69.5	88.4	-9	110.2	G218 V219 K226 L230 E234	G218-R228 CarbonylContact C-O 2.98Å; G218-R228 WeakPolarHBondContact CA-O 3.4Å; V219-R228 HydrophobicContact CG2-CB 4.2Å; V219-R228 PolarHBondContact N-O 3.35Å; V219-R228 PolarHBondContact O-N 2.85Å; K226-R228 PolarHBondContact O-N 3.08Å; R228-L230 VanDerWaalsContact CZ-CD2 3.43Å; R228-L230 VanDerWaalsContact NH2-CD2 3.32Å; R228-E234 IonicContact CZ-OE1 2.8Å; R228-E234 VanDerWaalsContact NH1-CD 3.31Å; R228-E234 IonicContact NH1-OE1 3.48Å; R228-E234 PolarHBondContact NH1-OE1 3.17Å; R228-E234 IonicContact NH1-OE2 3.88Å; R228-E234 PolarHBondContact NH1-OE2 3.42Å; R228-E234 IonicContact NH2-OE1 3.21Å; R228-E234 PolarHBondContact NH2-OE1 3.33Å
229	I	98.6	Very high	98	Very high	75 Å²	75	58.4 Å²	58.4	39%	0.385	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.2	168.8	-60.8	173.9	0	0	0	106.6	L69 V217 F227	L69-I229 HydrophobicContact CB-CD1 3.82Å; L69-I229 HydrophobicContact CB-CG1 4.26Å; L69-I229 HydrophobicContact CD1-CD1 4.34Å; L69-I229 HydrophobicContact CD1-CG1 4.05Å; L69-I229 HydrophobicContact CD1-CG2 4.07Å; V217-I229 WeakPolarHBondContact O-CA 3.42Å; F227-I229 HydrophobicContact CE1-CD1 4.25Å; F227-I229 HydrophobicContact CE1-CG1 3.86Å; F227-I229 HydrophobicContact CZ-CG1 3.98Å
230	L	98.4	Very high	97.8	Very high	10 Å²	10	61.8 Å²	61.8	5%	0.052	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-68.6	142.9	177.5	-59.1	-168.8	0	0	0	110.2	V217 V219 R228 E234 I235	V217-L230 HydrophobicContact CB-CB 4.22Å; V217-L230 HydrophobicContact CB-CD1 3.85Å; V217-L230 HydrophobicContact CB-CG 4.01Å; V217-L230 HydrophobicContact CG1-CD1 3.64Å; V217-L230 HydrophobicContact CG1-CG 4.03Å; V217-L230 PolarHBondContact O-N 2.9Å; V219-L230 HydrophobicContact CG1-CD1 4.43Å; V219-L230 HydrophobicContact CG1-CD2 4.32Å; V219-L230 HydrophobicContact CG1-CG 4.3Å; V219-L230 HydrophobicContact CG2-CD2 3.86Å; R228-L230 VanDerWaalsContact CZ-CD2 3.43Å; R228-L230 VanDerWaalsContact NH2-CD2 3.32Å; L230-E234 HydrophobicContact CB-CB 4.19Å; L230-I235 HydrophobicContact CB-CD1 4.34Å; L230-I235 HydrophobicContact CB-CG1 3.81Å; L230-I235 HydrophobicContact CD1-CG1 4.45Å
231	S	98.4	Very high	97.6	Very high	58 Å²	58	63.1 Å²	63.1	41%	0.406	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-72.5	159.8	169.4	62.6	0	0	0	0	111.3	A233 E234 I235	S231-A233 PolarHBondContact O-N 3.18Å; S231-E234 PolarHBondContact N-OE2 2.83Å; S231-E234 PolarHBondContact O-N 3.31Å; S231-E234 VanDerWaalsContact O-N 3.08Å; S231-E234 WeakPolarHBondContact OG-CG 3.37Å; S231-E234 PolarHBondContact OG-N 2.8Å; S231-E234 PolarHBondContact OG-OE2 3.2Å; S231-I235 WeakPolarHBondContact O-CG1 3.39Å; S231-I235 PolarHBondContact O-N 3.25Å
232	E	97.8	Very high	97.3	Very high	101 Å²	101	62.8 Å²	62.8	47%	0.472	34%	0.344	S	S	.	.	H	α-helix	trans	-57.1	-34.9	177.2	-68.9	-173.7	-179.2	0	0	112.3	P212 I235 D236	P212-E232 HydrophobicContact CB-CB 4.24Å; P212-E232 WeakPolarHBondContact CB-O 3.22Å; E232-I235 PolarHBondContact O-N 2.91Å; E232-D236 WeakPolarHBondContact O-CB 3.48Å; E232-D236 PolarHBondContact O-N 2.9Å
233	A	98.3	Very high	96.9	Very high	77 Å²	77	62.8 Å²	62.8	64%	0.636	35%	0.351	S	S	*	.	H	α-helix	trans	-66.6	-38.9	176.9	0	0	0	0	0	113	S231 D236 A237	S231-A233 PolarHBondContact O-N 3.18Å; A233-D236 PolarHBondContact O-N 3.16Å; A233-A237 PolarHBondContact O-N 3.04Å; A233-A237 VanDerWaalsContact O-N 3.15Å
234	E	98	Very high	96.5	Very high	68 Å²	68	61.2 Å²	61.2	32%	0.318	34%	0.344	S	S	.	.	H	α-helix	trans	-70	-38.2	175.5	-69.4	169.8	111.5	0	0	111.5	R228 L230 S231 D236 A237 H238	R228-E234 IonicContact CZ-OE1 2.8Å; R228-E234 VanDerWaalsContact NH1-CD 3.31Å; R228-E234 IonicContact NH1-OE1 3.48Å; R228-E234 PolarHBondContact NH1-OE1 3.17Å; R228-E234 IonicContact NH1-OE2 3.88Å; R228-E234 PolarHBondContact NH1-OE2 3.42Å; R228-E234 IonicContact NH2-OE1 3.21Å; R228-E234 PolarHBondContact NH2-OE1 3.33Å; L230-E234 HydrophobicContact CB-CB 4.19Å; S231-E234 PolarHBondContact N-OE2 2.83Å; S231-E234 PolarHBondContact O-N 3.31Å; S231-E234 VanDerWaalsContact O-N 3.08Å; S231-E234 WeakPolarHBondContact OG-CG 3.37Å; S231-E234 PolarHBondContact OG-N 2.8Å; S231-E234 PolarHBondContact OG-OE2 3.2Å; E234-D236 VanDerWaalsContact C-N 3.35Å; E234-A237 PolarHBondContact O-N 2.87Å; E234-H238 PolarHBondContact O-CD2 2.74Å; E234-H238 PolarHBondContact O-N 2.69Å
235	I	98.3	Very high	95.7	Very high	4 Å²	4	64.7 Å²	64.7	2%	0.021	35%	0.351	C	S	.	.	H	α-helix	trans	-63.1	-44.6	174.8	-64.6	171.1	0	0	0	110	P212 I215 V217 L230 S231 E232 A237 H238 L239	P212-I235 HydrophobicContact CB-CB 4.25Å; P212-I235 HydrophobicContact CB-CG2 4.06Å; I215-I235 HydrophobicContact CD1-CG2 3.8Å; I215-I235 HydrophobicContact CG1-CG2 3.9Å; V217-I235 HydrophobicContact CB-CD1 4.37Å; V217-I235 HydrophobicContact CB-CG1 4.28Å; V217-I235 HydrophobicContact CG2-CD1 4.05Å; V217-I235 HydrophobicContact CG2-CG1 3.92Å; L230-I235 HydrophobicContact CB-CD1 4.34Å; L230-I235 HydrophobicContact CB-CG1 3.81Å; L230-I235 HydrophobicContact CD1-CG1 4.45Å; S231-I235 WeakPolarHBondContact O-CG1 3.39Å; S231-I235 PolarHBondContact O-N 3.25Å; E232-I235 PolarHBondContact O-N 2.91Å; I235-A237 VanDerWaalsContact C-N 3.33Å; I235-A237 PolarHBondContact O-N 3.23Å; I235-H238 PolarHBondContact O-N 3.01Å; I235-H238 VanDerWaalsContact O-N 3.13Å; I235-L239 HydrophobicContact CG2-CD1 3.91Å; I235-L239 HydrophobicContact CG2-CG 4.3Å; I235-L239 WeakPolarHBondContact O-CG 3.45Å; I235-L239 PolarHBondContact O-N 2.88Å
236	D	97.9	Very high	93.7	Very high	73 Å²	73	71.7 Å²	71.7	39%	0.39	39%	0.386	S	S	.	.	H	α-helix	trans	-60.3	-41.5	179.3	-163.8	56	0	0	0	112	P212 E232 A233 E234 H238 L239 V240	P212-D236 HydrophobicContact CB-CB 4.09Å; P212-D236 HydrophobicContact CG-CB 4.08Å; E232-D236 WeakPolarHBondContact O-CB 3.48Å; E232-D236 PolarHBondContact O-N 2.9Å; A233-D236 PolarHBondContact O-N 3.16Å; E234-D236 VanDerWaalsContact C-N 3.35Å; D236-H238 VanDerWaalsContact C-N 3.28Å; D236-H238 PolarHBondContact O-N 3.27Å; D236-L239 PolarHBondContact O-N 3.44Å; D236-L239 VanDerWaalsContact O-N 3.08Å; D236-V240 WeakPolarHBondContact O-CG2 3.46Å; D236-V240 PolarHBondContact O-N 3.25Å
237	A	97.7	Very high	93.5	Very high	62 Å²	62	69.4 Å²	69.4	51%	0.512	38%	0.379	S	S	.	.	H	α-helix	trans	-57.9	-39.9	174.9	0	0	0	0	0	112.7	A233 E234 I235 A241	A233-A237 PolarHBondContact O-N 3.04Å; A233-A237 VanDerWaalsContact O-N 3.15Å; E234-A237 PolarHBondContact O-N 2.87Å; I235-A237 VanDerWaalsContact C-N 3.33Å; I235-A237 PolarHBondContact O-N 3.23Å; A237-A241 WeakPolarHBondContact O-CB 3.48Å; A237-A241 PolarHBondContact O-N 3.4Å; A237-A241 VanDerWaalsContact O-N 3.1Å
238	H	97.1	Very high	93.2	Very high	28 Å²	28	72.5 Å²	72.5	13%	0.13	40%	0.397	C	S	.	.	H	α-helix	trans	-70.4	-36.7	174.7	-72.9	-65.5	0	0	0	112.7	F191 V195 I199 E234 I235 D236 A241 L242	F191-H238 AromaticContact CE1-NE2 3.98Å; V195-H238 HydrophobicContact CG1-CB 4.37Å; I199-H238 HydrophobicContact CD1-CB 4.23Å; E234-H238 PolarHBondContact O-CD2 2.74Å; E234-H238 PolarHBondContact O-N 2.69Å; I235-H238 PolarHBondContact O-N 3.01Å; I235-H238 VanDerWaalsContact O-N 3.13Å; D236-H238 VanDerWaalsContact C-N 3.28Å; D236-H238 PolarHBondContact O-N 3.27Å; H238-A241 PolarHBondContact O-N 2.87Å; H238-L242 WeakPolarHBondContact O-CG 3.38Å; H238-L242 PolarHBondContact O-N 2.61Å
239	L	96.5	Very high	92.9	Very high	27 Å²	27	71.3 Å²	71.3	14%	0.141	40%	0.4	C	S	.	.	H	α-helix	trans	-67.1	-42.5	177.5	-68.8	170.4	0	0	0	111.8	I199 F210 P212 I215 I235 D236 L242 A243	I199-L239 HydrophobicContact CG2-CD2 3.79Å; F210-L239 HydrophobicContact CB-CD2 4.44Å; F210-L239 WeakPolarHBondContact O-CD1 3.22Å; P212-L239 HydrophobicContact CB-CD1 4.24Å; I215-L239 HydrophobicContact CD1-CD2 4.36Å; I235-L239 HydrophobicContact CG2-CD1 3.91Å; I235-L239 HydrophobicContact CG2-CG 4.3Å; I235-L239 WeakPolarHBondContact O-CG 3.45Å; I235-L239 PolarHBondContact O-N 2.88Å; D236-L239 PolarHBondContact O-N 3.44Å; D236-L239 VanDerWaalsContact O-N 3.08Å; L239-L242 WeakPolarHBondContact O-CB 3.29Å; L239-L242 PolarHBondContact O-N 3.19Å; L239-A243 PolarHBondContact O-N 2.86Å; L239-A243 VanDerWaalsContact O-N 3.1Å
240	V	95.9	Very high	92.6	Very high	72 Å²	72	71.1 Å²	71.1	44%	0.436	40%	0.401	S	S	.	.	H	α-helix	trans	-63.5	-45.1	174.9	174	0	0	0	0	110.7	D236 L242 A243 E244	D236-V240 WeakPolarHBondContact O-CG2 3.46Å; D236-V240 PolarHBondContact O-N 3.25Å; V240-L242 PolarHBondContact O-N 3.37Å; V240-A243 PolarHBondContact O-N 3.41Å; V240-A243 VanDerWaalsContact O-N 3.1Å; V240-E244 PolarHBondContact O-N 3.24Å; V240-E244 VanDerWaalsContact O-N 3.09Å
241	A	93.9	Very high	92.2	Very high	28 Å²	28	74.9 Å²	74.9	23%	0.231	42%	0.422	C	S	.	.	H	α-helix	trans	-62.3	-30.9	177.6	0	0	0	0	0	113.3	A237 H238 R245	A237-A241 WeakPolarHBondContact O-CB 3.48Å; A237-A241 PolarHBondContact O-N 3.4Å; A237-A241 VanDerWaalsContact O-N 3.1Å; H238-A241 PolarHBondContact O-N 2.87Å; A241-R245 WeakPolarHBondContact O-CG 3.07Å
242	L	92.2	Very high	91.8	Very high	23 Å²	23	76.1 Å²	76.1	12%	0.12	42%	0.423	C	S	.	.	H	α-helix	trans	-67.7	-45.9	171.9	-80	170.4	0	0	0	111.4	E196 I199 T200 H238 L239 V240 E244 R245 D246	E196-L242 HydrophobicContact CB-CD2 3.74Å; E196-L242 HydrophobicContact CB-CG 4.37Å; E196-L242 HydrophobicContact CG-CD1 4.49Å; E196-L242 HydrophobicContact CG-CD2 3.7Å; E196-L242 HydrophobicContact CG-CG 3.95Å; I199-L242 HydrophobicContact CB-CD1 4.02Å; I199-L242 HydrophobicContact CG2-CD1 3.71Å; T200-L242 WeakPolarHBondContact OG1-CD2 3.5Å; H238-L242 WeakPolarHBondContact O-CG 3.38Å; H238-L242 PolarHBondContact O-N 2.61Å; L239-L242 WeakPolarHBondContact O-CB 3.29Å; L239-L242 PolarHBondContact O-N 3.19Å; V240-L242 PolarHBondContact O-N 3.37Å; L242-E244 PolarHBondContact O-N 2.94Å; L242-R245 PolarHBondContact O-N 3.02Å; L242-R245 VanDerWaalsContact O-N 3.1Å; L242-D246 PolarHBondContact O-N 3.37Å
243	A	89.6	Confident	91.4	Very high	70 Å²	70	74.3 Å²	74.3	58%	0.579	42%	0.42	S	S	*	.	H	α-helix	trans	-64.3	-26	-179.8	0	0	0	0	0	113.5	L239 V240	L239-A243 PolarHBondContact O-N 2.86Å; L239-A243 VanDerWaalsContact O-N 3.1Å; V240-A243 PolarHBondContact O-N 3.41Å; V240-A243 VanDerWaalsContact O-N 3.1Å
244	E	87.8	Confident	90.9	Very high	157 Å²	157	74.1 Å²	74.1	73%	0.734	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-13.4	175.9	-69.5	-178.5	168.7	0	0	114	V240 L242	V240-E244 PolarHBondContact O-N 3.24Å; V240-E244 VanDerWaalsContact O-N 3.09Å; L242-E244 PolarHBondContact O-N 2.94Å
245	R	79.7	Confident	90.3	Very high	156 Å²	156	74.6 Å²	74.6	59%	0.589	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-20.7	-179.6	-72.6	-178	-175.6	170.5	13.5	113.8	E196 A241 L242	E196-R245 IonicContact OE1-CZ 3.24Å; E196-R245 IonicContact OE1-NH1 2.79Å; E196-R245 PolarHBondContact OE1-NH1 3.06Å; E196-R245 IonicContact OE1-NH2 2.82Å; E196-R245 PolarHBondContact OE1-NH2 3.41Å; E196-R245 IonicContact OE2-CZ 3.47Å; E196-R245 IonicContact OE2-NH1 2.76Å; E196-R245 PolarHBondContact OE2-NH1 3.42Å; A241-R245 WeakPolarHBondContact O-CG 3.07Å; L242-R245 PolarHBondContact O-N 3.02Å; L242-R245 VanDerWaalsContact O-N 3.1Å
246	D	57	Low	89.6	Confident	195 Å²	195	81 Å²	81	100%	1.043	45%	0.446	S	S	*	.			trans	-82.2	0	174.3	-75.5	-23.9	0	0	0	111.5	L242	L242-D246 PolarHBondContact O-N 3.37Å

Retrieved 246 of 246 residues in 62 ms (Link to these results)

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