A0A3B3W0H7_9TELE 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 A0A3B3W0H7, Species 9TELE (Poecilia latipinna, sailfin molly), 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	52.2	Low	81.4	Confident	201 Å²	201	89.4 Å²	89.4	99%	0.99	50%	0.504	S	S	*	.				0	113.8	0	-69	-133	-75.9	0	0	107.8	R3	M1-R3 PolarHBondContact O-N 2.68Å
2	S	61.1	Low	82.5	Confident	66 Å²	66	93.3 Å²	93.3	46%	0.462	52%	0.515	S	S	.	.			trans	-59.4	114.3	168.2	34.4	0	0	0	0	108	S5 E19	S2-S5 VanDerWaalsContact CB-OG 3.25Å; S2-S5 WeakPolarHBondContact CB-OG 3.5Å; S2-E19 VanDerWaalsContact O-OE1 3.05Å
3	R	73.7	Confident	83.6	Confident	209 Å²	209	90.8 Å²	90.8	79%	0.789	50%	0.499	S	S	*	.	S	Bend	trans	-123.9	108.6	173.8	-79	-172.4	173.9	-179.3	-0.4	108.2	M1 S5 E19	M1-R3 PolarHBondContact O-N 2.68Å; R3-S5 VanDerWaalsContact C-N 3.28Å; R3-S5 PolarHBondContact O-N 2.75Å; R3-E19 VanDerWaalsContact CA-OE1 3.27Å; R3-E19 WeakPolarHBondContact CA-OE1 3.44Å; R3-E19 PolarHBondContact N-OE1 3.44Å
4	G	71.6	Confident	84.4	Confident	42 Å²	42	85.3 Å²	85.3	43%	0.433	47%	0.469	S	S	.	.	S	Bend	trans	70	16.9	-176.7	0	0	0	0	0	115.1	E19	G4-E19 WeakPolarHBondContact CA-OE1 3.15Å; G4-E19 PolarHBondContact N-OE1 2.93Å
5	S	82.1	Confident	85.3	Confident	41 Å²	41	84.1 Å²	84.1	29%	0.287	46%	0.461	S	S	.	.			trans	-70.9	136.7	-178.6	59.8	0	0	0	0	110.8	S2 R3 E19	S2-S5 VanDerWaalsContact CB-OG 3.25Å; S2-S5 WeakPolarHBondContact CB-OG 3.5Å; R3-S5 VanDerWaalsContact C-N 3.28Å; R3-S5 PolarHBondContact O-N 2.75Å; S5-E19 PolarHBondContact N-OE1 3.07Å; S5-E19 VanDerWaalsContact N-OE1 3.09Å
6	S	88.9	Confident	86	Confident	59 Å²	59	88.2 Å²	88.2	41%	0.413	47%	0.473	S	S	.	.			trans	-119.3	142.1	177.3	175.5	0	0	0	0	109	D10 R11	S6-D10 VanDerWaalsContact CA-OD2 3.28Å; S6-D10 WeakPolarHBondContact CA-OD2 3.45Å; S6-D10 PolarHBondContact OG-OD1 3.24Å; S6-R11 PolarHBondContact OG-NE 2.8Å
7	A	89.4	Confident	86.6	Confident	54 Å²	54	83.4 Å²	83.4	45%	0.446	45%	0.448	S	S	.	.			trans	-136.8	133.4	177.4	0	0	0	0	0	110.7	F9 D10 P18	A7-F9 PolarHBondContact O-N 3.05Å; A7-D10 PolarHBondContact N-OD2 3Å; A7-D10 VanDerWaalsContact O-CG 3.23Å; A7-D10 PolarHBondContact O-N 2.66Å; A7-P18 HydrophobicContact CB-CG 3.78Å
8	G	93.4	Very high	87.1	Confident	71 Å²	71	82.8 Å²	82.8	73%	0.732	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	-123.5	178	0	0	0	0	0	112.8
9	F	94.6	Very high	87.4	Confident	141 Å²	141	81.5 Å²	81.5	62%	0.618	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	18.4	-174.9	-60.9	-72.5	0	0	0	114	A7 R11 H12 I13 I15	A7-F9 PolarHBondContact O-N 3.05Å; F9-R11 PolarHBondContact O-N 3.36Å; F9-H12 HydrophobicContact CB-CB 4.49Å; F9-H12 PolarHBondContact O-N 3.15Å; F9-I13 HydrophobicContact CB-CD1 4.28Å; F9-I13 HydrophobicContact CB-CG1 4.08Å; F9-I13 PolarHBondContact O-N 3.06Å; F9-I13 VanDerWaalsContact O-N 3.14Å; F9-I15 HydrophobicContact CB-CD1 4.42Å
10	D	94.1	Very high	87.8	Confident	1 Å²	1	80 Å²	80	1%	0.005	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.5	-175.7	66.7	0.9	0	0	0	115.5	S6 A7 I15 S17 P18	S6-D10 VanDerWaalsContact CA-OD2 3.28Å; S6-D10 WeakPolarHBondContact CA-OD2 3.45Å; S6-D10 PolarHBondContact OG-OD1 3.24Å; A7-D10 PolarHBondContact N-OD2 3Å; A7-D10 VanDerWaalsContact O-CG 3.23Å; A7-D10 PolarHBondContact O-N 2.66Å; D10-I15 HydrophobicContact CB-CD1 4.46Å; D10-I15 HydrophobicContact CB-CG1 4.09Å; D10-S17 WeakPolarHBondContact OD2-CA 3.39Å; D10-S17 WeakPolarHBondContact OD2-CB 3.4Å; D10-P18 WeakPolarHBondContact OD2-CD 3.28Å
11	R	94.6	Very high	88.2	Confident	98 Å²	98	80.5 Å²	80.5	37%	0.37	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-12	172.4	-70.3	178.8	-179.2	-108.1	0.8	114.6	S6 F9 Y23 Q24 Y27	S6-R11 PolarHBondContact OG-NE 2.8Å; F9-R11 PolarHBondContact O-N 3.36Å; R11-Y23 HydrophobicContact CG-CD2 3.74Å; R11-Y23 HydrophobicContact CG-CE2 4.26Å; R11-Y23 HydrophobicContact CG-CG 4.25Å; R11-Q24 PolarHBondContact O-NE2 3.18Å; R11-Y27 PolarHBondContact NH1-OH 2.8Å
12	H	94.7	Very high	90.3	Very high	136 Å²	136	72.9 Å²	72.9	63%	0.63	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	-35.3	-173	-63.7	86.6	0	0	0	112.6	F9	F9-H12 HydrophobicContact CB-CB 4.49Å; F9-H12 PolarHBondContact O-N 3.15Å
13	I	96.1	Very high	92	Very high	62 Å²	62	70.1 Å²	70.1	32%	0.318	38%	0.382	S	S	.	.	S	Bend	trans	-127.8	169.8	-179.8	59.1	171.7	0	0	0	110.5	F9 I15 A129	F9-I13 HydrophobicContact CB-CD1 4.28Å; F9-I13 HydrophobicContact CB-CG1 4.08Å; F9-I13 PolarHBondContact O-N 3.06Å; F9-I13 VanDerWaalsContact O-N 3.14Å; I13-I15 HydrophobicContact CD1-CD1 4.27Å; I13-I15 HydrophobicContact CD1-CG2 3.87Å; I13-I15 HydrophobicContact CG1-CD1 4.21Å; I13-I15 HydrophobicContact CG1-CG1 4.08Å; I13-I15 HydrophobicContact CG1-CG2 4.05Å; I13-I15 PolarHBondContact O-N 3.3Å; I13-A129 HydrophobicContact CB-CB 4.27Å; I13-A129 HydrophobicContact CD1-CB 4.33Å
14	T	95.8	Very high	93.1	Very high	13 Å²	13	62.2 Å²	62.2	8%	0.08	35%	0.354	C	S	.	.	S	Bend	trans	-79.6	52.6	-174.7	46	0	0	0	0	113.1	Q24 T126 N128 A129	T14-Q24 HydrophobicContact CG2-CB 3.95Å; T14-T126 WeakPolarHBondContact CB-O 3.3Å; T14-N128 PolarHBondContact OG1-O 3.48Å; T14-A129 WeakPolarHBondContact OG1-CA 3.24Å
15	I	96.8	Very high	94.4	Very high	67 Å²	67	60.9 Å²	60.9	34%	0.344	34%	0.337	S	S	.	.			trans	-107.4	156.9	172.5	66.4	177.8	0	0	0	111	F9 D10 I13 L22	F9-I15 HydrophobicContact CB-CD1 4.42Å; D10-I15 HydrophobicContact CB-CD1 4.46Å; D10-I15 HydrophobicContact CB-CG1 4.09Å; I13-I15 HydrophobicContact CD1-CD1 4.27Å; I13-I15 HydrophobicContact CD1-CG2 3.87Å; I13-I15 HydrophobicContact CG1-CD1 4.21Å; I13-I15 HydrophobicContact CG1-CG1 4.08Å; I13-I15 HydrophobicContact CG1-CG2 4.05Å; I13-I15 PolarHBondContact O-N 3.3Å; I15-L22 WeakPolarHBondContact O-CD2 3.36Å
16	F	97.3	Very high	95.1	Very high	150 Å²	150	61.6 Å²	61.6	66%	0.658	34%	0.336	S	S	*	.			trans	-66.9	136.1	178.3	-70.2	-70.6	0	0	0	112.2	L22	F16-L22 HydrophobicContact CD1-CD2 3.89Å; F16-L22 HydrophobicContact CD1-CG 4.26Å; F16-L22 HydrophobicContact CE1-CD2 4.1Å; F16-L22 HydrophobicContact CE1-CG 4.17Å; F16-L22 HydrophobicContact CG-CD2 4.3Å
17	S	95.9	Very high	95.5	Very high	7 Å²	7	62.2 Å²	62.2	5%	0.049	33%	0.33	C	S	.	.			trans	-73.2	166.8	163.4	79	0	0	0	0	111.2	D10 E19 G20 R21	D10-S17 WeakPolarHBondContact OD2-CA 3.39Å; D10-S17 WeakPolarHBondContact OD2-CB 3.4Å; S17-E19 PolarHBondContact O-N 2.89Å; S17-E19 PolarHBondContact OG-N 3.39Å; S17-G20 PolarHBondContact O-N 3.36Å; S17-R21 PolarHBondContact N-O 3.01Å; S17-R21 PolarHBondContact OG-N 2.9Å
18	P	95.2	Very high	95.9	Very high	73 Å²	73	60.1 Å²	60.1	47%	0.474	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-15.3	172.6	-25.8	34.9	0	0	0	114.9	A7 D10	A7-P18 HydrophobicContact CB-CG 3.78Å; D10-P18 WeakPolarHBondContact OD2-CD 3.28Å
19	E	93.8	Very high	96.1	Very high	58 Å²	58	60.6 Å²	60.6	27%	0.271	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	3	176.7	-69.6	168.9	-151.9	0	0	113	S2 R3 G4 S5 S17 R21	S2-E19 VanDerWaalsContact O-OE1 3.05Å; R3-E19 VanDerWaalsContact CA-OE1 3.27Å; R3-E19 WeakPolarHBondContact CA-OE1 3.44Å; R3-E19 PolarHBondContact N-OE1 3.44Å; G4-E19 WeakPolarHBondContact CA-OE1 3.15Å; G4-E19 PolarHBondContact N-OE1 2.93Å; S5-E19 PolarHBondContact N-OE1 3.07Å; S5-E19 VanDerWaalsContact N-OE1 3.09Å; S17-E19 PolarHBondContact O-N 2.89Å; S17-E19 PolarHBondContact OG-N 3.39Å; E19-R21 HydrophobicContact CB-CG 4.26Å; E19-R21 IonicContact OE2-NH1 3.63Å
20	G	94.3	Very high	96.2	Very high	50 Å²	50	60.1 Å²	60.1	52%	0.515	29%	0.292	S	S	.	.	S	Bend	trans	75.2	22.3	-176.7	0	0	0	0	0	114	S17	S17-G20 PolarHBondContact O-N 3.36Å
21	R	95.8	Very high	96.3	Very high	92 Å²	92	60.6 Å²	60.6	35%	0.347	30%	0.296	S	S	.	.			trans	-100.5	154.8	-179.5	-61.8	169.1	62.2	-179.1	4	111.4	S17 E19 E26	S17-R21 PolarHBondContact N-O 3.01Å; S17-R21 PolarHBondContact OG-N 2.9Å; E19-R21 HydrophobicContact CB-CG 4.26Å; E19-R21 IonicContact OE2-NH1 3.63Å; R21-E26 IonicContact CZ-OE1 2.83Å; R21-E26 IonicContact CZ-OE2 3.7Å; R21-E26 IonicContact NE-OE1 2.71Å; R21-E26 PolarHBondContact NE-OE1 2.82Å; R21-E26 IonicContact NE-OE2 3.33Å; R21-E26 IonicContact NH2-OE1 3.69Å; R21-E26 PolarHBondContact NH2-OE1 2.94Å; R21-E26 IonicContact NH2-OE2 3.97Å; R21-E26 PolarHBondContact NH2-OE2 3.01Å
22	L	96.9	Very high	96.4	Very high	40 Å²	40	56.3 Å²	56.3	21%	0.209	28%	0.281	C	S	.	.			trans	-111.8	95.2	172.6	-65.5	177.7	0	0	0	109.7	I15 F16 Q24 V25 E26	I15-L22 WeakPolarHBondContact O-CD2 3.36Å; F16-L22 HydrophobicContact CD1-CD2 3.89Å; F16-L22 HydrophobicContact CD1-CG 4.26Å; F16-L22 HydrophobicContact CE1-CD2 4.1Å; F16-L22 HydrophobicContact CE1-CG 4.17Å; F16-L22 HydrophobicContact CG-CD2 4.3Å; L22-Q24 VanDerWaalsContact C-N 3.33Å; L22-Q24 PolarHBondContact O-N 3.42Å; L22-V25 HydrophobicContact CB-CB 4.18Å; L22-V25 HydrophobicContact CB-CG2 3.92Å; L22-V25 HydrophobicContact CD1-CG2 4.2Å; L22-V25 PolarHBondContact O-N 2.86Å; L22-E26 PolarHBondContact O-N 3.41Å
23	Y	97	Very high	96.5	Very high	8 Å²	8	53.2 Å²	53.2	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-63.5	-35.9	-174.3	-72.1	-57.6	0	0	0	113.3	R11 V25 E26 Y27	R11-Y23 HydrophobicContact CG-CD2 3.74Å; R11-Y23 HydrophobicContact CG-CE2 4.26Å; R11-Y23 HydrophobicContact CG-CG 4.25Å; Y23-V25 VanDerWaalsContact C-N 3.27Å; Y23-V25 PolarHBondContact O-N 3.23Å; Y23-E26 WeakPolarHBondContact O-CB 3.4Å; Y23-E26 PolarHBondContact O-N 3.46Å; Y23-Y27 VanDerWaalsContact O-CD1 3.22Å; Y23-Y27 WeakPolarHBondContact O-CD1 3.31Å; Y23-Y27 PolarHBondContact O-N 2.9Å
24	Q	97.6	Very high	96.3	Very high	44 Å²	44	57.3 Å²	57.3	21%	0.206	29%	0.287	C	S	.	.	H	α-helix	trans	-62	-33.9	177.1	-78	-64.6	-40.1	0	0	112.9	R11 T14 L22 Y27 A28	R11-Q24 PolarHBondContact O-NE2 3.18Å; T14-Q24 HydrophobicContact CG2-CB 3.95Å; L22-Q24 VanDerWaalsContact C-N 3.33Å; L22-Q24 PolarHBondContact O-N 3.42Å; Q24-Y27 PolarHBondContact O-N 2.76Å; Q24-A28 PolarHBondContact O-N 3.4Å
25	V	97.5	Very high	95.9	Very high	13 Å²	13	58.5 Å²	58.5	8%	0.079	30%	0.301	C	S	.	.	H	α-helix	trans	-70.3	-43.8	174.3	179.1	0	0	0	0	110.6	L22 Y23 Y27 A28 F29 T126 P133 A157	L22-V25 HydrophobicContact CB-CB 4.18Å; L22-V25 HydrophobicContact CB-CG2 3.92Å; L22-V25 HydrophobicContact CD1-CG2 4.2Å; L22-V25 PolarHBondContact O-N 2.86Å; Y23-V25 VanDerWaalsContact C-N 3.27Å; Y23-V25 PolarHBondContact O-N 3.23Å; V25-Y27 PolarHBondContact O-N 3.22Å; V25-A28 WeakPolarHBondContact O-CB 3.4Å; V25-A28 PolarHBondContact O-N 3.07Å; V25-A28 VanDerWaalsContact O-N 3.1Å; V25-F29 HydrophobicContact CG1-CD2 4.27Å; V25-F29 HydrophobicContact CG1-CE2 3.99Å; V25-F29 WeakPolarHBondContact O-CD2 2.94Å; V25-F29 PolarHBondContact O-N 2.86Å; V25-F29 VanDerWaalsContact O-N 3.1Å; V25-T126 HydrophobicContact CG2-CG2 3.94Å; V25-P133 HydrophobicContact CG2-CG 4.19Å; V25-A157 HydrophobicContact CG1-CB 3.63Å
26	E	97.3	Very high	95.7	Very high	57 Å²	57	56.8 Å²	56.8	27%	0.266	30%	0.3	S	S	.	.	H	α-helix	trans	-60.6	-34.2	174.5	-63.2	-179.9	-170.5	0	0	112.4	R21 L22 Y23 F29 K30	R21-E26 IonicContact CZ-OE1 2.83Å; R21-E26 IonicContact CZ-OE2 3.7Å; R21-E26 IonicContact NE-OE1 2.71Å; R21-E26 PolarHBondContact NE-OE1 2.82Å; R21-E26 IonicContact NE-OE2 3.33Å; R21-E26 IonicContact NH2-OE1 3.69Å; R21-E26 PolarHBondContact NH2-OE1 2.94Å; R21-E26 IonicContact NH2-OE2 3.97Å; R21-E26 PolarHBondContact NH2-OE2 3.01Å; L22-E26 PolarHBondContact O-N 3.41Å; Y23-E26 WeakPolarHBondContact O-CB 3.4Å; Y23-E26 PolarHBondContact O-N 3.46Å; E26-F29 PolarHBondContact O-N 3.02Å; E26-K30 PolarHBondContact O-N 3.5Å
27	Y	97.7	Very high	95.7	Very high	72 Å²	72	50.7 Å²	50.7	28%	0.282	27%	0.274	S	S	.	.	H	α-helix	trans	-70.8	-36.8	175.6	-61.3	-10.6	0	0	0	111.5	R11 Y23 Q24 V25 F29 K30 A31	R11-Y27 PolarHBondContact NH1-OH 2.8Å; Y23-Y27 VanDerWaalsContact O-CD1 3.22Å; Y23-Y27 WeakPolarHBondContact O-CD1 3.31Å; Y23-Y27 PolarHBondContact O-N 2.9Å; Q24-Y27 PolarHBondContact O-N 2.76Å; V25-Y27 PolarHBondContact O-N 3.22Å; Y27-F29 VanDerWaalsContact C-N 3.31Å; Y27-F29 PolarHBondContact O-N 3.12Å; Y27-K30 CarbonylContact O-C 3.53Å; Y27-K30 WeakPolarHBondContact O-CB 3.27Å; Y27-K30 PolarHBondContact O-N 2.88Å; Y27-K30 VanDerWaalsContact O-N 3.08Å; Y27-A31 PolarHBondContact O-N 2.77Å
28	A	97.5	Very high	95.8	Very high	9 Å²	9	50.4 Å²	50.4	7%	0.074	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-37.8	172.7	0	0	0	0	0	112.1	Q24 V25 K30 A31 I32 P133 P156	Q24-A28 PolarHBondContact O-N 3.4Å; V25-A28 WeakPolarHBondContact O-CB 3.4Å; V25-A28 PolarHBondContact O-N 3.07Å; V25-A28 VanDerWaalsContact O-N 3.1Å; A28-K30 VanDerWaalsContact C-N 3.31Å; A28-K30 PolarHBondContact O-N 3.1Å; A28-A31 WeakPolarHBondContact O-CB 3.4Å; A28-A31 PolarHBondContact O-N 3Å; A28-A31 VanDerWaalsContact O-N 3.11Å; A28-I32 PolarHBondContact O-N 3.29Å; A28-P133 HydrophobicContact CB-CB 3.99Å; A28-P156 HydrophobicContact CB-CB 3.82Å; A28-P156 HydrophobicContact CB-CG 4.29Å
29	F	97	Very high	95.9	Very high	81 Å²	81	47 Å²	47	36%	0.355	25%	0.25	S	C	.	.	H	α-helix	trans	-61.6	-38.6	171.5	-82.1	-76.6	0	0	0	112.8	V25 E26 Y27 A31 I32 D155 A157	V25-F29 HydrophobicContact CG1-CD2 4.27Å; V25-F29 HydrophobicContact CG1-CE2 3.99Å; V25-F29 WeakPolarHBondContact O-CD2 2.94Å; V25-F29 PolarHBondContact O-N 2.86Å; V25-F29 VanDerWaalsContact O-N 3.1Å; E26-F29 PolarHBondContact O-N 3.02Å; Y27-F29 VanDerWaalsContact C-N 3.31Å; Y27-F29 PolarHBondContact O-N 3.12Å; F29-A31 VanDerWaalsContact C-N 3.31Å; F29-I32 HydrophobicContact CD1-CD1 4.12Å; F29-I32 WeakPolarHBondContact O-CB 3.19Å; F29-I32 PolarHBondContact O-N 3.07Å; F29-D155 HydrophobicContact CE1-CB 3.75Å; F29-D155 HydrophobicContact CZ-CB 3.83Å; F29-A157 HydrophobicContact CE2-CB 4.05Å; F29-A157 HydrophobicContact CZ-CB 4.26Å
30	K	96.8	Very high	96.2	Very high	131 Å²	131	44.3 Å²	44.3	57%	0.57	24%	0.237	S	C	*	.	H	α-helix	trans	-68.1	-32.4	173.7	-65.6	178	-176.6	179.1	0	112	E26 Y27 A28 I32 N33	E26-K30 PolarHBondContact O-N 3.5Å; Y27-K30 CarbonylContact O-C 3.53Å; Y27-K30 WeakPolarHBondContact O-CB 3.27Å; Y27-K30 PolarHBondContact O-N 2.88Å; Y27-K30 VanDerWaalsContact O-N 3.08Å; A28-K30 VanDerWaalsContact C-N 3.31Å; A28-K30 PolarHBondContact O-N 3.1Å; K30-I32 VanDerWaalsContact C-N 3.27Å; K30-I32 PolarHBondContact O-N 2.87Å; K30-N33 WeakPolarHBondContact O-CB 3.24Å; K30-N33 PolarHBondContact O-N 3.32Å; K30-N33 VanDerWaalsContact O-N 3.11Å
31	A	97.2	Very high	96.4	Very high	11 Å²	11	42 Å²	42	9%	0.091	21%	0.213	C	C	.	.	H	α-helix	trans	-63.5	-32.4	176.8	0	0	0	0	0	112.4	Y27 A28 F29 N33 Q34 M83	Y27-A31 PolarHBondContact O-N 2.77Å; A28-A31 WeakPolarHBondContact O-CB 3.4Å; A28-A31 PolarHBondContact O-N 3Å; A28-A31 VanDerWaalsContact O-N 3.11Å; F29-A31 VanDerWaalsContact C-N 3.31Å; A31-N33 PolarHBondContact O-N 3.12Å; A31-Q34 WeakPolarHBondContact O-CB 3.45Å; A31-Q34 PolarHBondContact O-N 3.5Å; A31-M83 HydrophobicContact CB-CG 4.47Å; A31-M83 HydrophobicContact CB-SD 4.12Å
32	I	97.4	Very high	96.5	Very high	8 Å²	8	37.6 Å²	37.6	4%	0.041	20%	0.196	C	C	.	.	H	α-helix	trans	-55.3	-38.5	172.6	-65.5	165	0	0	0	111	A28 F29 K30 Q34 T81 G82 C137 P156	A28-I32 PolarHBondContact O-N 3.29Å; F29-I32 HydrophobicContact CD1-CD1 4.12Å; F29-I32 WeakPolarHBondContact O-CB 3.19Å; F29-I32 PolarHBondContact O-N 3.07Å; K30-I32 VanDerWaalsContact C-N 3.27Å; K30-I32 PolarHBondContact O-N 2.87Å; I32-Q34 VanDerWaalsContact C-N 3.31Å; I32-Q34 PolarHBondContact O-N 3.25Å; I32-T81 HydrophobicContact CG2-CG2 4.18Å; I32-G82 WeakPolarHBondContact O-CA 3.45Å; I32-C137 HydrophobicContact CD1-CB 3.79Å; I32-C137 HydrophobicContact CG1-CB 4.33Å; I32-C137 HydrophobicContact CG2-CB 4.37Å; I32-P156 HydrophobicContact CD1-CG 3.75Å; I32-P156 HydrophobicContact CG1-CG 4.37Å
33	N	96.1	Very high	96.5	Very high	71 Å²	71	39 Å²	39	38%	0.38	20%	0.199	S	C	.	.	H	α-helix	trans	-76.7	-16.5	-177.8	-63.9	-23.8	0	0	0	113.4	K30 A31 G35 G36 G169 V170	K30-N33 WeakPolarHBondContact O-CB 3.24Å; K30-N33 PolarHBondContact O-N 3.32Å; K30-N33 VanDerWaalsContact O-N 3.11Å; A31-N33 PolarHBondContact O-N 3.12Å; N33-G35 PolarHBondContact O-N 3.15Å; N33-G36 PolarHBondContact O-N 3.09Å; N33-G36 VanDerWaalsContact O-N 3.1Å; N33-G169 PolarHBondContact OD1-O 3.05Å; N33-V170 HydrophobicContact CB-CG2 4.17Å; N33-V170 WeakPolarHBondContact O-CG2 3.48Å; N33-V170 PolarHBondContact OD1-N 3.42Å
34	Q	92.1	Very high	96.4	Very high	149 Å²	149	39 Å²	39	70%	0.696	20%	0.201	S	C	*	.	H	α-helix	trans	-64.9	-26.2	178.5	-66.7	179.1	3.5	0	0	112.5	A31 I32 G36	A31-Q34 WeakPolarHBondContact O-CB 3.45Å; A31-Q34 PolarHBondContact O-N 3.5Å; I32-Q34 VanDerWaalsContact C-N 3.31Å; I32-Q34 PolarHBondContact O-N 3.25Å; Q34-G36 PolarHBondContact O-N 3.11Å
35	G	86.7	Confident	96.3	Very high	38 Å²	38	43.1 Å²	43.1	39%	0.392	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.9	175.3	0	0	0	0	0	113.6	N33 M37	N33-G35 PolarHBondContact O-N 3.15Å; G35-M37 WeakPolarHBondContact O-CG 3.09Å; G35-M37 PolarHBondContact O-N 3.35Å
36	G	93.4	Very high	96.1	Very high	30 Å²	30	46.1 Å²	46.1	31%	0.309	23%	0.234	S	C	.	.			trans	67.2	16.7	178.1	0	0	0	0	0	114	N33 Q34 K55	N33-G36 PolarHBondContact O-N 3.09Å; N33-G36 VanDerWaalsContact O-N 3.1Å; Q34-G36 PolarHBondContact O-N 3.11Å; G36-K55 PolarHBondContact O-NZ 3.32Å
37	M	96.1	Very high	96.1	Very high	23 Å²	23	43.4 Å²	43.4	11%	0.113	22%	0.222	C	C	.	.			trans	-110.8	152.9	-176.6	-59	-63.3	-92.6	0	0	110.3	G35 Q53 K55 T81 G169 V170	G35-M37 WeakPolarHBondContact O-CG 3.09Å; G35-M37 PolarHBondContact O-N 3.35Å; M37-Q53 VanDerWaalsContact CE-C 3.44Å; M37-Q53 HydrophobicContact CE-CB 3.65Å; M37-Q53 WeakPolarHBondContact CE-O 3.25Å; M37-Q53 HydrophobicContact SD-CB 4.01Å; M37-K55 HydrophobicContact CE-CG 4.31Å; M37-K55 HydrophobicContact SD-CB 4.34Å; M37-K55 HydrophobicContact SD-CD 3.59Å; M37-K55 VanDerWaalsContact SD-CD 3.59Å; M37-K55 HydrophobicContact SD-CG 3.82Å; M37-T81 HydrophobicContact CB-CG2 4.5Å; M37-G169 VanDerWaalsContact O-CA 3.32Å; M37-G169 WeakPolarHBondContact O-CA 3.48Å; M37-V170 PolarHBondContact O-N 2.69Å; M37-V170 VanDerWaalsContact O-N 3.1Å
38	T	98.3	Very high	96.1	Very high	1 Å²	1	40 Å²	40	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.3	166.1	-55.5	0	0	0	0	108.7	A168 K171 L202	T38-A168 WeakPolarHBondContact CA-O 3.32Å; T38-K171 HydrophobicContact CG2-CB 4Å; T38-K171 WeakPolarHBondContact OG1-CB 3.36Å; T38-K171 PolarHBondContact OG1-N 3.05Å; T38-K171 VanDerWaalsContact OG1-N 3.12Å; T38-L202 HydrophobicContact CG2-CD1 3.93Å
39	S	98.5	Very high	96.1	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.014	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	144	176.7	-47.8	0	0	0	0	109.3	V51 T52 T81 A167 A168	S39-V51 CarbonylContact C-O 3.5Å; S39-V51 WeakPolarHBondContact CA-O 3.47Å; S39-T52 WeakPolarHBondContact OG-CB 3.44Å; S39-T52 PolarHBondContact OG-OG1 2.98Å; S39-T81 WeakPolarHBondContact CB-OG1 3.49Å; S39-T81 PolarHBondContact OG-OG1 3.09Å; S39-A167 CarbonylContact O-C 3.6Å; S39-A167 VanDerWaalsContact O-CA 3.23Å; S39-A167 WeakPolarHBondContact O-CA 3.49Å; S39-A167 WeakPolarHBondContact O-CB 3.34Å; S39-A168 PolarHBondContact N-O 2.73Å; S39-A168 PolarHBondContact O-N 3.12Å
40	V	98.6	Very high	96.2	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.4	-177.3	175.3	0	0	0	0	108.5	I42 V50 V51 A167 A175 L179 A198 L202	V40-I42 HydrophobicContact CG1-CD1 4.34Å; V40-I42 HydrophobicContact CG1-CG1 4.03Å; V40-V50 CarbonylContact O-C 3.48Å; V40-V50 WeakPolarHBondContact O-CA 3.45Å; V40-V51 PolarHBondContact N-O 3.39Å; V40-V51 PolarHBondContact O-N 3.48Å; V40-A167 HydrophobicContact CG2-CB 4.33Å; V40-A175 HydrophobicContact CG2-CB 4.47Å; V40-L179 HydrophobicContact CG1-CD1 4.11Å; V40-L179 HydrophobicContact CG1-CD2 4.36Å; V40-A198 HydrophobicContact CG1-CB 4.4Å; V40-L202 HydrophobicContact CG2-CD1 4.25Å
41	G	98.3	Very high	96.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	135.6	172.9	0	0	0	0	0	110.4	V49 L151 A165 T166	G41-V49 CarbonylContact C-O 3.6Å; G41-V49 VanDerWaalsContact CA-O 3.31Å; G41-V49 WeakPolarHBondContact CA-O 3.39Å; G41-L151 WeakPolarHBondContact O-CD2 3.41Å; G41-A165 CarbonylContact O-C 3.57Å; G41-A165 VanDerWaalsContact O-CA 3.24Å; G41-A165 WeakPolarHBondContact O-CA 3.21Å; G41-T166 PolarHBondContact N-O 3.1Å; G41-T166 PolarHBondContact O-N 3.2Å; G41-T166 VanDerWaalsContact O-O 3.14Å
42	I	98	Very high	96.4	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	134.9	177.6	-56	-172.2	0	0	0	109.9	V40 A48 V49 A165 L179 W189 T194 T197 A198	V40-I42 HydrophobicContact CG1-CD1 4.34Å; V40-I42 HydrophobicContact CG1-CG1 4.03Å; I42-A48 WeakPolarHBondContact O-CA 2.98Å; I42-V49 PolarHBondContact N-O 3.42Å; I42-V49 PolarHBondContact O-N 2.86Å; I42-A165 HydrophobicContact CG1-CB 4.11Å; I42-A165 HydrophobicContact CG2-CB 4.39Å; I42-L179 HydrophobicContact CD1-CD2 3.57Å; I42-L179 HydrophobicContact CG1-CD2 4.05Å; I42-W189 HydrophobicContact CD1-CZ3 4.27Å; I42-W189 HydrophobicContact CG2-CE3 3.56Å; I42-W189 HydrophobicContact CG2-CZ3 3.37Å; I42-T194 HydrophobicContact CB-CG2 3.97Å; I42-T194 HydrophobicContact CG2-CG2 3.71Å; I42-T197 HydrophobicContact CD1-CG2 3.92Å; I42-A198 HydrophobicContact CD1-CB 3.76Å; I42-A198 HydrophobicContact CG1-CB 4.17Å
43	R	96.8	Very high	96.4	Very high	71 Å²	71	29 Å²	29	27%	0.268	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	117.7	168.2	179.8	176.4	68.2	178.6	10.2	109.8	P149 L151 K164	R43-P149 WeakPolarHBondContact CD-O 3.36Å; R43-P149 HydrophobicContact CG-CB 4.08Å; R43-L151 HydrophobicContact CB-CB 4.16Å; R43-K164 WeakPolarHBondContact CB-O 3.38Å; R43-K164 PolarHBondContact N-O 3.28Å
44	G	95.7	Very high	96.4	Very high	8 Å²	8	27 Å²	27	8%	0.082	14%	0.144	C	C	.	.			trans	-88.4	-168.4	168.8	0	0	0	0	0	112	C47	G44-C47 CarbonylContact C-O 3.55Å; G44-C47 WeakPolarHBondContact CA-O 3.41Å; G44-C47 PolarHBondContact N-O 2.88Å
45	K	94.5	Very high	96.5	Very high	129 Å²	129	24.9 Å²	24.9	56%	0.561	13%	0.133	S	C	*	.	S	Bend	trans	-68.7	-50.8	178.5	-175.2	-172.8	172.8	-169.3	0	112	D188 W189	K45-D188 HydrophobicContact CB-CB 4.46Å; K45-W189 PolarHBondContact N-O 3.32Å; K45-W189 VanDerWaalsContact N-O 3.09Å
46	D	94.3	Very high	96.9	Very high	76 Å²	76	25.4 Å²	25.4	41%	0.406	13%	0.128	S	C	.	.	S	Bend	trans	-118	11.8	-171.7	-57.9	-52.3	0	0	0	112	T221 T222	D46-T221 CarbonylContact O-C 3.5Å; D46-T221 WeakPolarHBondContact O-CA 3.42Å; D46-T222 HydrophobicContact CB-CG2 4.29Å; D46-T222 PolarHBondContact O-N 2.96Å; D46-T222 PolarHBondContact O-OG1 2.94Å
47	C	96.9	Very high	96.8	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	163.8	-178.4	67.9	0	0	0	0	113.1	G44 P149 F191 I220 T221	G44-C47 CarbonylContact C-O 3.55Å; G44-C47 WeakPolarHBondContact CA-O 3.41Å; G44-C47 PolarHBondContact N-O 2.88Å; C47-P149 WeakPolarHBondContact O-CB 3.36Å; C47-F191 HydrophobicContact CB-CD2 3.73Å; C47-F191 HydrophobicContact CB-CE2 4.4Å; C47-I220 CarbonylContact C-O 3.52Å; C47-I220 WeakPolarHBondContact CA-O 3.45Å; C47-I220 VanDerWaalsContact CB-O 3.24Å; C47-I220 WeakPolarHBondContact CB-O 3.38Å; C47-T221 HydrophobicContact CB-CG2 4.16Å
48	A	97.9	Very high	96.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.3	163.6	0	0	0	0	0	109.5	I42 I141 P149 V219 I220	I42-A48 WeakPolarHBondContact O-CA 2.98Å; A48-I141 HydrophobicContact CB-CB 3.92Å; A48-I141 HydrophobicContact CB-CG2 3.85Å; A48-I141 WeakPolarHBondContact O-CD1 3.32Å; A48-P149 HydrophobicContact CB-CB 4.09Å; A48-V219 WeakPolarHBondContact O-CA 3.4Å; A48-I220 HydrophobicContact CB-CG2 3.91Å; A48-I220 PolarHBondContact N-O 3.41Å; A48-I220 PolarHBondContact O-N 3.1Å
49	V	98.3	Very high	96.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	138.2	-171.7	-179.4	0	0	0	0	109.3	G41 I42 V51 T194 I195 V217 G218 V219	G41-V49 CarbonylContact C-O 3.6Å; G41-V49 VanDerWaalsContact CA-O 3.31Å; G41-V49 WeakPolarHBondContact CA-O 3.39Å; I42-V49 PolarHBondContact N-O 3.42Å; I42-V49 PolarHBondContact O-N 2.86Å; V49-V51 HydrophobicContact CG1-CG2 3.96Å; V49-T194 HydrophobicContact CB-CG2 4.09Å; V49-T194 HydrophobicContact CG2-CG2 3.68Å; V49-I195 HydrophobicContact CG1-CG1 4.08Å; V49-I195 HydrophobicContact CG2-CG1 3.79Å; V49-V217 HydrophobicContact CG1-CG1 3.93Å; V49-G218 CarbonylContact C-O 3.6Å; V49-G218 WeakPolarHBondContact CA-O 3.39Å; V49-V219 HydrophobicContact CG1-CG1 4.22Å; V49-V219 HydrophobicContact CG2-CG1 4.08Å
50	V	98.6	Very high	96.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.6	166.5	-70.3	0	0	0	0	109.4	V40 L69 V79 V139 I141 V217 G218 F227	V40-V50 CarbonylContact O-C 3.48Å; V40-V50 WeakPolarHBondContact O-CA 3.45Å; V50-L69 HydrophobicContact CG2-CD2 3.65Å; V50-V79 HydrophobicContact CB-CB 4.17Å; V50-V79 HydrophobicContact CB-CG1 3.83Å; V50-V79 HydrophobicContact CG1-CG1 3.82Å; V50-V79 HydrophobicContact CG2-CB 4.24Å; V50-V79 HydrophobicContact CG2-CG1 4.39Å; V50-V139 HydrophobicContact CG1-CG1 4.12Å; V50-I141 HydrophobicContact CG1-CD1 4.27Å; V50-I141 HydrophobicContact CG1-CG1 4.32Å; V50-I141 HydrophobicContact CG1-CG2 3.68Å; V50-I141 HydrophobicContact CG2-CD1 3.95Å; V50-I141 HydrophobicContact CG2-CG1 4.4Å; V50-V217 WeakPolarHBondContact O-CA 3.42Å; V50-G218 PolarHBondContact N-O 3.5Å; V50-G218 PolarHBondContact O-N 3.17Å; V50-F227 HydrophobicContact CG2-CE2 4.45Å
51	V	98.6	Very high	96.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.2	177	-177	0	0	0	0	108.4	S39 V40 V49 A198 I199 L202 L215 E216 V217	S39-V51 CarbonylContact C-O 3.5Å; S39-V51 WeakPolarHBondContact CA-O 3.47Å; V40-V51 PolarHBondContact N-O 3.39Å; V40-V51 PolarHBondContact O-N 3.48Å; V49-V51 HydrophobicContact CG1-CG2 3.96Å; V51-A198 HydrophobicContact CB-CB 4.29Å; V51-A198 HydrophobicContact CG2-CB 3.5Å; V51-I199 HydrophobicContact CG1-CG1 4.4Å; V51-I199 HydrophobicContact CG2-CG1 4.4Å; V51-L202 HydrophobicContact CG1-CD2 3.93Å; V51-L215 HydrophobicContact CG1-CD2 4.11Å; V51-E216 WeakPolarHBondContact CA-O 3.45Å; V51-V217 HydrophobicContact CG1-CG2 4.3Å; V51-V217 HydrophobicContact CG2-CG1 4.15Å; V51-V217 HydrophobicContact CG2-CG2 4.12Å
52	T	98.5	Very high	96.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	153.8	176.2	-172.7	0	0	0	0	110.8	S39 Q68 L69 V79 L215 E216	S39-T52 WeakPolarHBondContact OG-CB 3.44Å; S39-T52 PolarHBondContact OG-OG1 2.98Å; T52-Q68 HydrophobicContact CG2-CB 4.11Å; T52-L69 HydrophobicContact CG2-CD2 4.27Å; T52-L69 HydrophobicContact CG2-CG 4.29Å; T52-V79 HydrophobicContact CG2-CG2 3.93Å; T52-L215 WeakPolarHBondContact O-CA 3.18Å; T52-E216 HydrophobicContact CG2-CB 3.98Å; T52-E216 PolarHBondContact N-O 2.81Å; T52-E216 PolarHBondContact O-N 2.9Å
53	Q	97.6	Very high	96.2	Very high	8 Å²	8	59.9 Å²	59.9	4%	0.037	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	150.8	170.3	-58.7	178.6	-94.1	0	0	109.9	M37 K55 L202 L206 F210 E214	M37-Q53 VanDerWaalsContact CE-C 3.44Å; M37-Q53 HydrophobicContact CE-CB 3.65Å; M37-Q53 WeakPolarHBondContact CE-O 3.25Å; M37-Q53 HydrophobicContact SD-CB 4.01Å; Q53-K55 VanDerWaalsContact NE2-CE 3.33Å; Q53-L202 HydrophobicContact CG-CD1 4.47Å; Q53-L202 HydrophobicContact CG-CD2 4.04Å; Q53-L206 HydrophobicContact CG-CD1 3.93Å; Q53-L206 VanDerWaalsContact NE2-CD1 3.33Å; Q53-F210 HydrophobicContact CG-CE1 4.35Å; Q53-F210 HydrophobicContact CG-CZ 4.24Å; Q53-E214 CarbonylContact C-O 3.54Å
54	K	96.5	Very high	96.1	Very high	30 Å²	30	60.6 Å²	60.6	13%	0.13	32%	0.322	C	S	.	.			trans	-121.3	113.8	166	-168.5	173.1	-179	169.4	0	108.4	V56 A63 V66 E214 E216	K54-V56 HydrophobicContact CG-CG2 4.33Å; K54-A63 WeakPolarHBondContact CE-O 3.18Å; K54-A63 PolarHBondContact NZ-O 3.14Å; K54-V66 WeakPolarHBondContact CE-O 3.38Å; K54-E214 PolarHBondContact N-O 3.39Å; K54-E216 HydrophobicContact CB-CG 4.09Å; K54-E216 HydrophobicContact CD-CG 3.87Å; K54-E216 HydrophobicContact CG-CG 4.29Å
55	K	94.6	Very high	96.1	Very high	104 Å²	104	64.2 Å²	64.2	45%	0.452	34%	0.343	S	S	.	.			trans	-115.1	111.9	-179.1	-66.2	-174.4	-177	176.3	0	109.5	G36 M37 Q53 P57	G36-K55 PolarHBondContact O-NZ 3.32Å; M37-K55 HydrophobicContact CE-CG 4.31Å; M37-K55 HydrophobicContact SD-CB 4.34Å; M37-K55 HydrophobicContact SD-CD 3.59Å; M37-K55 VanDerWaalsContact SD-CD 3.59Å; M37-K55 HydrophobicContact SD-CG 3.82Å; Q53-K55 VanDerWaalsContact NE2-CE 3.33Å; K55-P57 WeakPolarHBondContact O-CD 3.41Å
56	V	95.4	Very high	96.3	Very high	50 Å²	50	60 Å²	60	30%	0.303	33%	0.327	S	S	.	.			trans	-115.9	89.1	175.7	-173.2	0	0	0	0	107.4	K54 D58 L61 A63 V66	K54-V56 HydrophobicContact CG-CG2 4.33Å; V56-D58 VanDerWaalsContact C-N 3.31Å; V56-D58 WeakPolarHBondContact CG1-O 3.48Å; V56-D58 PolarHBondContact O-N 3.36Å; V56-L61 HydrophobicContact CG1-CB 3.93Å; V56-L61 HydrophobicContact CG1-CD1 4.48Å; V56-A63 HydrophobicContact CG1-CB 4.35Å; V56-A63 HydrophobicContact CG2-CB 3.92Å; V56-V66 HydrophobicContact CG2-CB 4.37Å; V56-V66 HydrophobicContact CG2-CG1 4.49Å
57	P	91.7	Very high	96.4	Very high	120 Å²	120	57.9 Å²	57.9	78%	0.779	32%	0.317	S	S	*	.			trans	-71.1	-27.5	-171.4	27.5	-35	0	0	0	113.1	K55 L61	K55-P57 WeakPolarHBondContact O-CD 3.41Å; P57-L61 HydrophobicContact CG-CD1 4.3Å
58	D	94.8	Very high	96.4	Very high	78 Å²	78	58.9 Å²	58.9	42%	0.417	32%	0.322	S	S	.	.			trans	-116.4	131.4	-177.6	-171.7	-13.3	0	0	0	110.2	V56 L60 L61	V56-D58 VanDerWaalsContact C-N 3.31Å; V56-D58 WeakPolarHBondContact CG1-O 3.48Å; V56-D58 PolarHBondContact O-N 3.36Å; D58-L60 PolarHBondContact O-N 2.95Å; D58-L60 WeakPolarHBondContact OD1-CB 3.45Å; D58-L60 WeakPolarHBondContact OD1-CG 3.22Å; D58-L60 PolarHBondContact OD1-N 3.43Å; D58-L61 HydrophobicContact CB-CD1 4.09Å; D58-L61 HydrophobicContact CB-CG 4.1Å; D58-L61 WeakPolarHBondContact O-CB 3.37Å; D58-L61 PolarHBondContact O-N 2.97Å; D58-L61 VanDerWaalsContact O-N 3.12Å
59	K	93.9	Very high	96.5	Very high	210 Å²	210	59.1 Å²	59.1	91%	0.913	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-18.2	177.3	-64.3	-178.1	179.7	179.7	0	112.9	L61	K59-L61 VanDerWaalsContact C-N 3.28Å
60	L	97.2	Very high	96.5	Very high	157 Å²	157	60.4 Å²	60.4	82%	0.822	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-12.4	175.3	-59.1	179.4	0	0	0	112.7	D58	D58-L60 PolarHBondContact O-N 2.95Å; D58-L60 WeakPolarHBondContact OD1-CB 3.45Å; D58-L60 WeakPolarHBondContact OD1-CG 3.22Å; D58-L60 PolarHBondContact OD1-N 3.43Å
61	L	96.7	Very high	96.5	Very high	84 Å²	84	66.8 Å²	66.8	44%	0.44	35%	0.353	S	S	.	.	S	Bend	trans	-77.8	134.6	173.3	-68.1	170.4	0	0	0	110.4	V56 P57 D58 K59 A63	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 4.1Å; D58-L61 WeakPolarHBondContact O-CB 3.37Å; D58-L61 PolarHBondContact O-N 2.97Å; D58-L61 VanDerWaalsContact O-N 3.12Å; K59-L61 VanDerWaalsContact C-N 3.28Å; L61-A63 PolarHBondContact O-N 3.22Å
62	D	96.8	Very high	96.5	Very high	94 Å²	94	67.5 Å²	67.5	50%	0.503	36%	0.357	S	S	.	.			trans	-71.1	102.5	167.5	-176.4	-8.8	0	0	0	109.7	S64 T65	D62-S64 PolarHBondContact O-N 3.43Å; D62-S64 VanDerWaalsContact O-N 3.12Å; D62-S64 VanDerWaalsContact OD1-CB 3.3Å; D62-S64 WeakPolarHBondContact OD1-CB 2.94Å; D62-S64 PolarHBondContact OD1-N 2.55Å; D62-S64 PolarHBondContact OD1-OG 3.44Å; D62-S64 PolarHBondContact OD2-OG 3.3Å; D62-T65 HydrophobicContact CB-CG2 4.17Å; D62-T65 PolarHBondContact O-N 3.48Å; D62-T65 PolarHBondContact O-OG1 2.88Å
63	A	95.6	Very high	96.4	Very high	38 Å²	38	68.4 Å²	68.4	31%	0.314	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.9	180	0	0	0	0	0	113.3	K54 V56 L61 T65 V66	K54-A63 WeakPolarHBondContact CE-O 3.18Å; K54-A63 PolarHBondContact NZ-O 3.14Å; V56-A63 HydrophobicContact CG1-CB 4.35Å; V56-A63 HydrophobicContact CG2-CB 3.92Å; L61-A63 PolarHBondContact O-N 3.22Å; A63-T65 VanDerWaalsContact C-N 3.25Å; A63-T65 PolarHBondContact O-N 3.19Å; A63-V66 PolarHBondContact O-N 2.85Å
64	S	94.8	Very high	96.3	Very high	86 Å²	86	71.8 Å²	71.8	60%	0.601	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-26	178.8	73.1	0	0	0	0	112.7	D62	D62-S64 PolarHBondContact O-N 3.43Å; D62-S64 VanDerWaalsContact O-N 3.12Å; D62-S64 VanDerWaalsContact OD1-CB 3.3Å; D62-S64 WeakPolarHBondContact OD1-CB 2.94Å; D62-S64 PolarHBondContact OD1-N 2.55Å; D62-S64 PolarHBondContact OD1-OG 3.44Å; D62-S64 PolarHBondContact OD2-OG 3.3Å
65	T	95.9	Very high	96.3	Very high	84 Å²	84	72.6 Å²	72.6	52%	0.515	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-14	-179	70.2	0	0	0	0	113.3	D62 A63 T67	D62-T65 HydrophobicContact CB-CG2 4.17Å; D62-T65 PolarHBondContact O-N 3.48Å; D62-T65 PolarHBondContact O-OG1 2.88Å; A63-T65 VanDerWaalsContact C-N 3.25Å; A63-T65 PolarHBondContact O-N 3.19Å; T65-T67 PolarHBondContact O-N 3.5Å
66	V	96.8	Very high	96.5	Very high	39 Å²	39	67.8 Å²	67.8	24%	0.236	37%	0.365	C	S	.	.			trans	-91.1	89.2	178.7	-175.6	0	0	0	0	108.4	K54 V56 A63	K54-V66 WeakPolarHBondContact CE-O 3.38Å; V56-V66 HydrophobicContact CG2-CB 4.37Å; V56-V66 HydrophobicContact CG2-CG1 4.49Å; A63-V66 PolarHBondContact O-N 2.85Å
67	T	97.4	Very high	96.6	Very high	32 Å²	32	65.4 Å²	65.4	20%	0.196	35%	0.351	C	S	.	.			trans	-132.5	148.5	177.4	-170.4	0	0	0	0	111.7	T65 L69 F70 E216	T65-T67 PolarHBondContact O-N 3.5Å; T67-L69 PolarHBondContact OG1-N 2.93Å; T67-L69 VanDerWaalsContact OG1-N 3.13Å; T67-L69 PolarHBondContact OG1-O 3.09Å; T67-F70 HydrophobicContact CG2-CE1 4.25Å; T67-F70 HydrophobicContact CG2-CZ 4.49Å; T67-F70 WeakPolarHBondContact O-CZ 3.5Å; T67-E216 WeakPolarHBondContact CA-OE1 3.43Å; T67-E216 VanDerWaalsContact CA-OE2 3.3Å; T67-E216 WeakPolarHBondContact CA-OE2 3.31Å; T67-E216 WeakPolarHBondContact CB-OE1 3.03Å; T67-E216 PolarHBondContact OG1-OE1 2.97Å; T67-E216 PolarHBondContact OG1-OE2 2.99Å; T67-E216 VanDerWaalsContact OG1-OE2 3.1Å
68	Q	97.9	Very high	97	Very high	23 Å²	23	59.7 Å²	59.7	11%	0.107	31%	0.314	C	S	.	.	S	Bend	trans	-108.6	-0.4	167.3	-59.1	-53.6	-47.8	0	0	112.7	T52 F70 V79 M80 E216	T52-Q68 HydrophobicContact CG2-CB 4.11Å; Q68-F70 WeakPolarHBondContact O-CD2 3.24Å; Q68-F70 WeakPolarHBondContact O-CE2 3.15Å; Q68-V79 HydrophobicContact CB-CG2 4.25Å; Q68-V79 WeakPolarHBondContact O-CA 3.42Å; Q68-M80 WeakPolarHBondContact CB-O 3.22Å; Q68-M80 PolarHBondContact O-N 2.85Å; Q68-M80 PolarHBondContact OE1-O 3.02Å; Q68-E216 PolarHBondContact N-OE2 2.96Å
69	L	98.6	Very high	97.1	Very high	4 Å²	4	56 Å²	56	2%	0.021	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	128.7	176.4	-62.8	-177.6	0	0	0	110.2	V50 T52 T67 C78 V79 E216 F227 I229	V50-L69 HydrophobicContact CG2-CD2 3.65Å; T52-L69 HydrophobicContact CG2-CD2 4.27Å; T52-L69 HydrophobicContact CG2-CG 4.29Å; T67-L69 PolarHBondContact OG1-N 2.93Å; T67-L69 VanDerWaalsContact OG1-N 3.13Å; T67-L69 PolarHBondContact OG1-O 3.09Å; L69-C78 WeakPolarHBondContact CA-O 3.43Å; L69-V79 HydrophobicContact CD2-CB 3.66Å; L69-V79 HydrophobicContact CD2-CG2 3.84Å; L69-E216 HydrophobicContact CD1-CB 3.59Å; L69-E216 HydrophobicContact CG-CB 4.07Å; L69-F227 HydrophobicContact CB-CZ 4.43Å; L69-I229 HydrophobicContact CB-CD1 3.76Å; L69-I229 HydrophobicContact CB-CG1 4.2Å; L69-I229 HydrophobicContact CD1-CD1 4.36Å; L69-I229 HydrophobicContact CD1-CG1 4.04Å; L69-I229 HydrophobicContact CD1-CG2 3.98Å
70	F	98.6	Very high	97.4	Very high	27 Å²	27	46 Å²	46	12%	0.118	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	129.9	-179.5	-56.3	-84.7	0	0	0	110.4	T67 Q68 I72 C78 M80 V91	T67-F70 HydrophobicContact CG2-CE1 4.25Å; T67-F70 HydrophobicContact CG2-CZ 4.49Å; T67-F70 WeakPolarHBondContact O-CZ 3.5Å; Q68-F70 WeakPolarHBondContact O-CD2 3.24Å; Q68-F70 WeakPolarHBondContact O-CE2 3.15Å; F70-I72 PolarHBondContact O-N 2.96Å; F70-C78 PolarHBondContact N-O 2.87Å; F70-C78 PolarHBondContact O-N 2.87Å; F70-M80 HydrophobicContact CD2-CB 4.39Å; F70-M80 HydrophobicContact CD2-CG 3.68Å; F70-M80 HydrophobicContact CE2-CB 4.06Å; F70-M80 HydrophobicContact CE2-CG 3.74Å; F70-V91 HydrophobicContact CB-CG1 3.8Å; F70-V91 HydrophobicContact CB-CG2 4.08Å; F70-V91 HydrophobicContact CD1-CG1 4.21Å; F70-V91 HydrophobicContact CD2-CG2 3.74Å; F70-V91 HydrophobicContact CE2-CG2 4.34Å; F70-V91 HydrophobicContact CG-CG1 3.97Å; F70-V91 HydrophobicContact CG-CG2 3.88Å
71	R	98.4	Very high	97.4	Very high	135 Å²	135	38.7 Å²	38.7	51%	0.509	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	122	166.2	-167.1	175	87.4	165.1	18.4	109.3	T73 D74 R95 F227	R71-T73 WeakPolarHBondContact CG-O 3.39Å; R71-D74 IonicContact CZ-OD1 2.97Å; R71-D74 IonicContact NE-OD1 3.8Å; R71-D74 IonicContact NH1-OD1 3.68Å; R71-D74 PolarHBondContact NH1-OD1 3.38Å; R71-D74 IonicContact NH2-OD1 3.79Å; R71-D74 PolarHBondContact NH2-OD1 3.46Å; R71-R95 PolarHBondContact O-NE 2.85Å; R71-R95 PolarHBondContact O-NH2 3.24Å; R71-F227 HydrophobicContact CB-CD1 4.05Å; R71-F227 HydrophobicContact CG-CD1 4.19Å
72	I	98.5	Very high	97.5	Very high	14 Å²	14	35 Å²	35	7%	0.072	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-52.2	174.7	-56.8	-55.2	0	0	0	109.5	F70 I76 C78 V91 A94 R95 A98 L114	F70-I72 PolarHBondContact O-N 2.96Å; I72-I76 HydrophobicContact CB-CB 4.36Å; I72-I76 HydrophobicContact CB-CG2 4.15Å; I72-I76 HydrophobicContact CG1-CG2 4.43Å; I72-I76 PolarHBondContact N-O 3.22Å; I72-C78 HydrophobicContact CG1-CB 4.32Å; I72-V91 HydrophobicContact CD1-CB 4.49Å; I72-V91 HydrophobicContact CD1-CG1 3.91Å; I72-A94 HydrophobicContact CD1-CB 4.01Å; I72-A94 HydrophobicContact CG2-CB 4.18Å; I72-R95 HydrophobicContact CD1-CG 4.22Å; I72-R95 HydrophobicContact CG2-CG 4.18Å; I72-A98 HydrophobicContact CG2-CB 4.11Å; I72-L114 HydrophobicContact CG2-CD2 3.95Å
73	T	97.8	Very high	97.5	Very high	20 Å²	20	33.7 Å²	33.7	12%	0.123	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	-179.2	170.5	68.1	0	0	0	0	108.8	R71 N75 I76 A98 E108	R71-T73 WeakPolarHBondContact CG-O 3.39Å; T73-N75 PolarHBondContact O-N 3.1Å; T73-N75 PolarHBondContact OG1-N 2.7Å; T73-I76 PolarHBondContact N-O 3.41Å; T73-I76 PolarHBondContact O-N 3.17Å; T73-I76 VanDerWaalsContact O-O 3.1Å; T73-I76 WeakPolarHBondContact OG1-CB 3.47Å; T73-I76 WeakPolarHBondContact OG1-CG1 3.46Å; T73-I76 PolarHBondContact OG1-N 3.37Å; T73-A98 HydrophobicContact CG2-CB 3.55Å; T73-E108 WeakPolarHBondContact CB-OE1 3.35Å; T73-E108 WeakPolarHBondContact CG2-OE1 2.86Å; T73-E108 PolarHBondContact OG1-OE1 2.85Å
74	D	95.2	Very high	97.6	Very high	79 Å²	79	35 Å²	35	42%	0.422	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-33.3	177.9	-73.3	-18	0	0	0	112.1	R71 K226 F227	R71-D74 IonicContact CZ-OD1 2.97Å; R71-D74 IonicContact NE-OD1 3.8Å; R71-D74 IonicContact NH1-OD1 3.68Å; R71-D74 PolarHBondContact NH1-OD1 3.38Å; R71-D74 IonicContact NH2-OD1 3.79Å; R71-D74 PolarHBondContact NH2-OD1 3.46Å; D74-K226 CarbonylContact O-C 3.12Å; D74-K226 VanDerWaalsContact O-CA 3.24Å; D74-K226 WeakPolarHBondContact O-CA 3.41Å; D74-F227 PolarHBondContact O-N 2.9Å
75	N	95.7	Very high	97.8	Very high	47 Å²	47	34.5 Å²	34.5	25%	0.251	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	2.4	-175.4	-59.8	-1.1	0	0	0	113.9	T73 G142 I220 P225	T73-N75 PolarHBondContact O-N 3.1Å; T73-N75 PolarHBondContact OG1-N 2.7Å; N75-G142 VanDerWaalsContact O-CA 3.31Å; N75-G142 WeakPolarHBondContact O-CA 3.44Å; N75-I220 WeakPolarHBondContact O-CD1 3.47Å; N75-P225 VanDerWaalsContact CA-O 3.31Å; N75-P225 WeakPolarHBondContact CA-O 3.46Å; N75-P225 WeakPolarHBondContact CB-O 3.44Å; N75-P225 VanDerWaalsContact CG-O 3.26Å; N75-P225 PolarHBondContact OD1-O 2.64Å; N75-P225 VanDerWaalsContact OD1-O 3.07Å
76	I	98.4	Very high	97.9	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	121.6	-178.8	-56	178.5	0	0	0	110.2	I72 T73 I109 V111 L114 V140	I72-I76 HydrophobicContact CB-CB 4.36Å; I72-I76 HydrophobicContact CB-CG2 4.15Å; I72-I76 HydrophobicContact CG1-CG2 4.43Å; I72-I76 PolarHBondContact N-O 3.22Å; T73-I76 PolarHBondContact N-O 3.41Å; T73-I76 PolarHBondContact O-N 3.17Å; T73-I76 VanDerWaalsContact O-O 3.1Å; T73-I76 WeakPolarHBondContact OG1-CB 3.47Å; T73-I76 WeakPolarHBondContact OG1-CG1 3.46Å; T73-I76 PolarHBondContact OG1-N 3.37Å; I76-I109 HydrophobicContact CD1-CG2 3.74Å; I76-I109 WeakPolarHBondContact CD1-O 3.44Å; I76-V111 HydrophobicContact CD1-CG2 4.35Å; I76-V111 HydrophobicContact CG1-CG2 4.27Å; I76-L114 HydrophobicContact CD1-CD2 4.11Å; I76-L114 HydrophobicContact CG2-CD2 3.89Å; I76-V140 HydrophobicContact CG2-CG1 3.39Å
77	G	98.6	Very high	98	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	157	171.1	0	0	0	0	0	111.6	V140 I141 F227	G77-V140 WeakPolarHBondContact O-CA 3.36Å; G77-V140 WeakPolarHBondContact O-CG1 3.33Å; G77-I141 PolarHBondContact N-O 3.13Å; G77-I141 PolarHBondContact O-N 2.88Å; G77-F227 VanDerWaalsContact CA-CG 3.49Å
78	C	98.7	Very high	98	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	155.8	170.1	72.3	0	0	0	0	111.9	L69 F70 I72 M138 V139 V140	L69-C78 WeakPolarHBondContact CA-O 3.43Å; F70-C78 PolarHBondContact N-O 2.87Å; F70-C78 PolarHBondContact O-N 2.87Å; I72-C78 HydrophobicContact CG1-CB 4.32Å; C78-M138 HydrophobicContact CB-CG 4.14Å; C78-V139 CarbonylContact C-O 3.59Å; C78-V139 WeakPolarHBondContact CA-O 3.26Å; C78-V139 VanDerWaalsContact CB-O 3.31Å; C78-V139 WeakPolarHBondContact CB-O 3.43Å; C78-V140 HydrophobicContact CB-CG2 4.12Å
79	V	98.8	Very high	98	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	136.1	162.3	63.6	0	0	0	0	109.3	V50 T52 Q68 L69 V139	V50-V79 HydrophobicContact CB-CB 4.17Å; V50-V79 HydrophobicContact CB-CG1 3.83Å; V50-V79 HydrophobicContact CG1-CG1 3.82Å; V50-V79 HydrophobicContact CG2-CB 4.24Å; V50-V79 HydrophobicContact CG2-CG1 4.39Å; T52-V79 HydrophobicContact CG2-CG2 3.93Å; Q68-V79 HydrophobicContact CB-CG2 4.25Å; Q68-V79 WeakPolarHBondContact O-CA 3.42Å; L69-V79 HydrophobicContact CD2-CB 3.66Å; L69-V79 HydrophobicContact CD2-CG2 3.84Å; V79-V139 HydrophobicContact CG1-CB 3.65Å; V79-V139 HydrophobicContact CG1-CG1 4.18Å; V79-V139 HydrophobicContact CG1-CG2 4.43Å; V79-V139 PolarHBondContact N-O 3.15Å; V79-V139 PolarHBondContact O-N 3.09Å
80	M	98.6	Very high	98	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	137.9	177.4	-62.1	-54.5	-67	0	0	111.2	Q68 F70 Q90 V91 C136 M138	Q68-M80 WeakPolarHBondContact CB-O 3.22Å; Q68-M80 PolarHBondContact O-N 2.85Å; Q68-M80 PolarHBondContact OE1-O 3.02Å; F70-M80 HydrophobicContact CD2-CB 4.39Å; F70-M80 HydrophobicContact CD2-CG 3.68Å; F70-M80 HydrophobicContact CE2-CB 4.06Å; F70-M80 HydrophobicContact CE2-CG 3.74Å; M80-Q90 HydrophobicContact CE-CB 4.13Å; M80-Q90 VanDerWaalsContact CE-OE1 3.26Å; M80-V91 HydrophobicContact CE-CG2 4.49Å; M80-V91 HydrophobicContact CG-CG2 3.55Å; M80-V91 HydrophobicContact SD-CG2 3.79Å; M80-C136 HydrophobicContact CE-CB 4.19Å; M80-M138 HydrophobicContact CE-CB 3.97Å; M80-M138 HydrophobicContact CE-CE 3.88Å; M80-M138 HydrophobicContact CE-CG 4.44Å; M80-M138 HydrophobicContact SD-CB 3.72Å; M80-M138 HydrophobicContact SD-CE 3.48Å; M80-M138 WeakPolarHBondContact SD-CE 3.35Å; M80-M138 HydrophobicContact SD-CG 3.63Å; M80-M138 HydrophobicContact SD-SD 4.42Å
81	T	98.4	Very high	98	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.3	175.7	-43.1	0	0	0	0	110	I32 M37 S39 C136 C137 A168	I32-T81 HydrophobicContact CG2-CG2 4.18Å; M37-T81 HydrophobicContact CB-CG2 4.5Å; S39-T81 WeakPolarHBondContact CB-OG1 3.49Å; S39-T81 PolarHBondContact OG-OG1 3.09Å; T81-C136 CarbonylContact O-C 3.54Å; T81-C136 WeakPolarHBondContact O-CA 3.31Å; T81-C137 PolarHBondContact N-O 2.81Å; T81-C137 PolarHBondContact O-N 2.87Å; T81-A168 HydrophobicContact CG2-CB 4.36Å
82	G	97.5	Very high	98.1	Very high	7 Å²	7	34.8 Å²	34.8	7%	0.072	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	124.7	-145.6	179.1	0	0	0	0	0	113.1	I32 T84	I32-G82 WeakPolarHBondContact O-CA 3.45Å; G82-T84 PolarHBondContact O-N 2.94Å
83	M	97.8	Very high	98.1	Very high	66 Å²	66	38.8 Å²	38.8	33%	0.325	21%	0.205	S	C	.	.			trans	-65.9	115.3	-178.5	-66.5	-179.3	70.4	0	0	111.4	A31 A85 D86 S87 G135	A31-M83 HydrophobicContact CB-CG 4.47Å; A31-M83 HydrophobicContact CB-SD 4.12Å; M83-A85 VanDerWaalsContact C-N 3.32Å; M83-A85 PolarHBondContact O-N 2.64Å; M83-D86 HydrophobicContact CB-CB 4.14Å; M83-D86 PolarHBondContact O-N 3.32Å; M83-D86 VanDerWaalsContact O-N 3.17Å; M83-S87 PolarHBondContact O-N 3Å; M83-S87 PolarHBondContact O-OG 3.42Å; M83-S87 VanDerWaalsContact O-OG 3.11Å; M83-G135 PolarHBondContact N-O 3.35Å
84	T	97.4	Very high	98.1	Very high	67 Å²	67	37.9 Å²	37.9	41%	0.411	20%	0.199	S	C	.	.	H	α-helix	trans	-56.5	-38.7	-173	-50.4	0	0	0	0	114.4	G82 S87 R88	G82-T84 PolarHBondContact O-N 2.94Å; T84-S87 WeakPolarHBondContact O-CB 3.14Å; T84-S87 PolarHBondContact O-N 3.21Å; T84-R88 WeakPolarHBondContact O-CG 3.3Å; T84-R88 PolarHBondContact O-N 2.92Å
85	A	98.1	Very high	98.3	Very high	74 Å²	74	38.4 Å²	38.4	61%	0.612	20%	0.195	S	C	*	.	H	α-helix	trans	-66.6	-46.3	179.8	0	0	0	0	0	111.6	M83 S87 R88 S89	M83-A85 VanDerWaalsContact C-N 3.32Å; M83-A85 PolarHBondContact O-N 2.64Å; A85-S87 VanDerWaalsContact C-N 3.32Å; A85-S87 PolarHBondContact O-N 3.1Å; A85-R88 PolarHBondContact O-N 2.78Å; A85-S89 PolarHBondContact O-N 3.46Å; A85-S89 VanDerWaalsContact O-N 3.1Å
86	D	98.3	Very high	98.4	Very high	13 Å²	13	42.2 Å²	42.2	7%	0.07	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-42.9	175.8	-69	7.9	0	0	0	110.5	M83 R88 S89 Q90 R132 L134 G135 C136	M83-D86 HydrophobicContact CB-CB 4.14Å; M83-D86 PolarHBondContact O-N 3.32Å; M83-D86 VanDerWaalsContact O-N 3.17Å; D86-R88 PolarHBondContact O-N 2.98Å; D86-S89 WeakPolarHBondContact O-CB 3.45Å; D86-S89 PolarHBondContact O-N 3.16Å; D86-Q90 PolarHBondContact O-N 2.91Å; D86-R132 IonicContact OD1-CZ 3.16Å; D86-R132 IonicContact OD1-NH1 2.66Å; D86-R132 IonicContact OD1-NH2 3.1Å; D86-R132 PolarHBondContact OD1-NH2 3.5Å; D86-R132 IonicContact OD2-CZ 2.64Å; D86-R132 IonicContact OD2-NH1 3.2Å; D86-R132 PolarHBondContact OD2-NH1 2.94Å; D86-R132 IonicContact OD2-NH2 3.12Å; D86-R132 PolarHBondContact OD2-NH2 2.83Å; D86-R132 VanDerWaalsContact OD2-NH2 3.12Å; D86-L134 HydrophobicContact CB-CB 4.16Å; D86-L134 HydrophobicContact CB-CD2 4.2Å; D86-L134 WeakPolarHBondContact OD2-CA 2.84Å; D86-G135 PolarHBondContact OD2-N 3.2Å; D86-C136 HydrophobicContact CB-CB 4.28Å
87	S	98.4	Very high	98.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-55.6	-48.7	176.4	-65.9	0	0	0	0	112.4	M83 T84 A85 S89 Q90 V91 C136	M83-S87 PolarHBondContact O-N 3Å; M83-S87 PolarHBondContact O-OG 3.42Å; M83-S87 VanDerWaalsContact O-OG 3.11Å; T84-S87 WeakPolarHBondContact O-CB 3.14Å; T84-S87 PolarHBondContact O-N 3.21Å; A85-S87 VanDerWaalsContact C-N 3.32Å; A85-S87 PolarHBondContact O-N 3.1Å; S87-S89 VanDerWaalsContact C-N 3.34Å; S87-S89 PolarHBondContact O-N 3.45Å; S87-Q90 PolarHBondContact O-N 2.87Å; S87-V91 VanDerWaalsContact O-CG2 3.29Å; S87-V91 WeakPolarHBondContact O-CG2 3.32Å; S87-V91 PolarHBondContact O-N 3.03Å; S87-C136 WeakPolarHBondContact OG-CB 3.49Å
88	R	98.5	Very high	98.5	Very high	147 Å²	147	42.9 Å²	42.9	56%	0.555	21%	0.21	S	C	*	.	H	α-helix	trans	-64.2	-39.1	178.5	-72.6	178.2	178.2	177.2	-1.3	112.1	T84 A85 D86 V91 Q92	T84-R88 WeakPolarHBondContact O-CG 3.3Å; T84-R88 PolarHBondContact O-N 2.92Å; A85-R88 PolarHBondContact O-N 2.78Å; D86-R88 PolarHBondContact O-N 2.98Å; R88-V91 PolarHBondContact O-N 3.32Å; R88-Q92 PolarHBondContact O-N 2.9Å
89	S	98.6	Very high	98.5	Very high	69 Å²	69	46 Å²	46	48%	0.483	24%	0.236	S	C	.	.	H	α-helix	trans	-61.8	-46.7	175.1	-174.8	0	0	0	0	111.5	A85 D86 S87 V91 Q92 R93	A85-S89 PolarHBondContact O-N 3.46Å; A85-S89 VanDerWaalsContact O-N 3.1Å; D86-S89 WeakPolarHBondContact O-CB 3.45Å; D86-S89 PolarHBondContact O-N 3.16Å; S87-S89 VanDerWaalsContact C-N 3.34Å; S87-S89 PolarHBondContact O-N 3.45Å; S89-V91 PolarHBondContact O-N 3.31Å; S89-Q92 PolarHBondContact O-N 3.48Å; S89-R93 PolarHBondContact O-N 2.92Å
90	Q	98.6	Very high	98.5	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.019	24%	0.244	C	C	.	.	H	α-helix	trans	-65.7	-39.7	179.3	-161.2	175.1	43.2	0	0	112	M80 D86 S87 R93 A94 M118 S122 L134 C136 M138	M80-Q90 HydrophobicContact CE-CB 4.13Å; M80-Q90 VanDerWaalsContact CE-OE1 3.26Å; D86-Q90 PolarHBondContact O-N 2.91Å; S87-Q90 PolarHBondContact O-N 2.87Å; Q90-R93 PolarHBondContact O-N 2.85Å; Q90-A94 WeakPolarHBondContact O-CB 3.45Å; Q90-A94 PolarHBondContact O-N 3.18Å; Q90-M118 HydrophobicContact CG-CE 3.42Å; Q90-M118 VanDerWaalsContact CG-CE 3.42Å; Q90-M118 WeakPolarHBondContact O-CE 3.29Å; Q90-S122 PolarHBondContact NE2-OG 2.83Å; Q90-L134 HydrophobicContact CB-CD1 4.24Å; Q90-C136 PolarHBondContact OE1-SG 3.07Å; Q90-M138 HydrophobicContact CB-CE 4.17Å; Q90-M138 HydrophobicContact CG-CE 3.76Å
91	V	98.8	Very high	98.5	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.018	25%	0.251	C	S	.	.	H	α-helix	trans	-60.4	-44.4	172.8	166.6	0	0	0	0	111.6	F70 I72 M80 S87 R88 S89 R93 A94 R95 M138	F70-V91 HydrophobicContact CB-CG1 3.8Å; F70-V91 HydrophobicContact CB-CG2 4.08Å; F70-V91 HydrophobicContact CD1-CG1 4.21Å; F70-V91 HydrophobicContact CD2-CG2 3.74Å; F70-V91 HydrophobicContact CE2-CG2 4.34Å; F70-V91 HydrophobicContact CG-CG1 3.97Å; F70-V91 HydrophobicContact CG-CG2 3.88Å; I72-V91 HydrophobicContact CD1-CB 4.49Å; I72-V91 HydrophobicContact CD1-CG1 3.91Å; M80-V91 HydrophobicContact CE-CG2 4.49Å; M80-V91 HydrophobicContact CG-CG2 3.55Å; M80-V91 HydrophobicContact SD-CG2 3.79Å; S87-V91 VanDerWaalsContact O-CG2 3.29Å; S87-V91 WeakPolarHBondContact O-CG2 3.32Å; S87-V91 PolarHBondContact O-N 3.03Å; R88-V91 PolarHBondContact O-N 3.32Å; S89-V91 PolarHBondContact O-N 3.31Å; V91-R93 VanDerWaalsContact C-N 3.3Å; V91-R93 PolarHBondContact O-N 3.01Å; V91-A94 PolarHBondContact O-N 3.49Å; V91-R95 WeakPolarHBondContact O-CG 3.49Å; V91-R95 PolarHBondContact O-N 3.34Å; V91-M138 HydrophobicContact CG2-CE 4.21Å
92	Q	98.8	Very high	98.4	Very high	115 Å²	115	53 Å²	53	54%	0.537	27%	0.27	S	S	.	.	H	α-helix	trans	-63.8	-38.7	178.6	-172	60.2	20.5	0	0	111.5	R88 S89 Y96	R88-Q92 PolarHBondContact O-N 2.9Å; S89-Q92 PolarHBondContact O-N 3.48Å; Q92-Y96 PolarHBondContact O-N 3.44Å; Q92-Y96 VanDerWaalsContact O-N 3.08Å
93	R	98.8	Very high	98.5	Very high	98 Å²	98	62 Å²	62	37%	0.37	30%	0.303	S	S	.	.	H	α-helix	trans	-66.9	-40.9	174.5	-176	59.9	-179.9	-155.6	1.3	112.2	S89 Q90 V91 Y96 E97 M118 I121	S89-R93 PolarHBondContact O-N 2.92Å; Q90-R93 PolarHBondContact O-N 2.85Å; V91-R93 VanDerWaalsContact C-N 3.3Å; V91-R93 PolarHBondContact O-N 3.01Å; R93-Y96 WeakPolarHBondContact O-CB 3.39Å; R93-Y96 PolarHBondContact O-N 2.94Å; R93-E97 HydrophobicContact CG-CG 4.41Å; R93-E97 IonicContact CZ-OE1 3.38Å; R93-E97 IonicContact NE-OE1 3.82Å; R93-E97 PolarHBondContact NE-OE1 2.83Å; R93-E97 IonicContact NH2-OE1 2.84Å; R93-E97 PolarHBondContact NH2-OE1 3.39Å; R93-E97 WeakPolarHBondContact O-CG 3.43Å; R93-E97 PolarHBondContact O-N 3.31Å; R93-M118 HydrophobicContact CB-CE 4Å; R93-M118 HydrophobicContact CG-CE 4.03Å; R93-M118 HydrophobicContact CG-SD 4.23Å; R93-I121 HydrophobicContact CG-CD1 3.89Å
94	A	98.8	Very high	98.5	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.6	-45	176.1	0	0	0	0	0	111.9	I72 Q90 V91 Y96 E97 A98 L114 M118 M138	I72-A94 HydrophobicContact CD1-CB 4.01Å; I72-A94 HydrophobicContact CG2-CB 4.18Å; Q90-A94 WeakPolarHBondContact O-CB 3.45Å; Q90-A94 PolarHBondContact O-N 3.18Å; V91-A94 PolarHBondContact O-N 3.49Å; A94-Y96 VanDerWaalsContact C-N 3.33Å; A94-Y96 PolarHBondContact O-N 2.94Å; A94-E97 PolarHBondContact O-N 2.98Å; A94-A98 WeakPolarHBondContact O-CB 3.48Å; A94-A98 PolarHBondContact O-N 3Å; A94-L114 HydrophobicContact CB-CD1 4.3Å; A94-M118 VanDerWaalsContact CA-SD 3.56Å; A94-M118 HydrophobicContact CB-CE 4.17Å; A94-M118 HydrophobicContact CB-CG 4.16Å; A94-M118 HydrophobicContact CB-SD 3.82Å; A94-M138 HydrophobicContact CB-CE 4.13Å; A94-M138 HydrophobicContact CB-SD 4.46Å
95	R	98.9	Very high	98.5	Very high	91 Å²	91	68.3 Å²	68.3	34%	0.343	32%	0.32	S	S	.	.	H	α-helix	trans	-58.3	-44.3	174	-73.8	172.8	173	165.8	-1.9	112.3	R71 I72 V91 A99	R71-R95 PolarHBondContact O-NE 2.85Å; R71-R95 PolarHBondContact O-NH2 3.24Å; I72-R95 HydrophobicContact CD1-CG 4.22Å; I72-R95 HydrophobicContact CG2-CG 4.18Å; V91-R95 WeakPolarHBondContact O-CG 3.49Å; V91-R95 PolarHBondContact O-N 3.34Å; R95-A99 WeakPolarHBondContact O-CB 3.3Å; R95-A99 PolarHBondContact O-N 3.29Å
96	Y	98.8	Very high	98.5	Very high	127 Å²	127	67.9 Å²	67.9	50%	0.498	32%	0.323	S	S	.	.	H	α-helix	trans	-62.2	-48.6	177.7	172.5	-93.2	0	0	0	112	Q92 R93 A94 A98 A99 N100	Q92-Y96 PolarHBondContact O-N 3.44Å; Q92-Y96 VanDerWaalsContact O-N 3.08Å; R93-Y96 WeakPolarHBondContact O-CB 3.39Å; R93-Y96 PolarHBondContact O-N 2.94Å; A94-Y96 VanDerWaalsContact C-N 3.33Å; A94-Y96 PolarHBondContact O-N 2.94Å; Y96-A98 PolarHBondContact O-N 3.43Å; Y96-A99 PolarHBondContact O-N 3.43Å; Y96-N100 WeakPolarHBondContact O-CB 3.31Å; Y96-N100 PolarHBondContact O-N 3.08Å
97	E	98.8	Very high	98.5	Very high	14 Å²	14	73.2 Å²	73.2	7%	0.065	34%	0.343	C	S	.	.	H	α-helix	trans	-64.4	-40.3	-179.8	-67.3	-72.2	171	0	0	111.5	R93 A94 N100 W101 R117 I121	R93-E97 HydrophobicContact CG-CG 4.41Å; R93-E97 IonicContact CZ-OE1 3.38Å; R93-E97 IonicContact NE-OE1 3.82Å; R93-E97 PolarHBondContact NE-OE1 2.83Å; R93-E97 IonicContact NH2-OE1 2.84Å; R93-E97 PolarHBondContact NH2-OE1 3.39Å; R93-E97 WeakPolarHBondContact O-CG 3.43Å; R93-E97 PolarHBondContact O-N 3.31Å; A94-E97 PolarHBondContact O-N 2.98Å; E97-N100 PolarHBondContact O-N 3.24Å; E97-W101 WeakPolarHBondContact O-CB 3.31Å; E97-W101 PolarHBondContact O-N 3.25Å; E97-R117 HydrophobicContact CB-CG 4.13Å; E97-R117 VanDerWaalsContact CD-NE 3.29Å; E97-R117 HydrophobicContact CG-CG 3.88Å; E97-R117 IonicContact OE1-CZ 2.7Å; E97-R117 IonicContact OE1-NE 2.83Å; E97-R117 PolarHBondContact OE1-NE 2.95Å; E97-R117 IonicContact OE1-NH2 3.12Å; E97-R117 PolarHBondContact OE1-NH2 3.06Å; E97-R117 IonicContact OE2-CZ 3.19Å; E97-R117 IonicContact OE2-NE 3.52Å; E97-R117 PolarHBondContact OE2-NE 2.94Å; E97-R117 IonicContact OE2-NH2 2.75Å; E97-I121 HydrophobicContact CG-CD1 4.1Å
98	A	98.6	Very high	98.4	Very high	2 Å²	2	76.4 Å²	76.4	2%	0.017	36%	0.358	C	S	.	.	H	α-helix	trans	-64.1	-46.3	176.1	0	0	0	0	0	112.6	I72 T73 A94 Y96 N100 W101 N102 I109 L114	I72-A98 HydrophobicContact CG2-CB 4.11Å; T73-A98 HydrophobicContact CG2-CB 3.55Å; A94-A98 WeakPolarHBondContact O-CB 3.48Å; A94-A98 PolarHBondContact O-N 3Å; Y96-A98 PolarHBondContact O-N 3.43Å; A98-N100 PolarHBondContact O-N 2.96Å; A98-W101 WeakPolarHBondContact O-CB 3.43Å; A98-W101 PolarHBondContact O-N 2.88Å; A98-N102 PolarHBondContact O-N 3.19Å; A98-N102 VanDerWaalsContact O-N 3.14Å; A98-I109 HydrophobicContact CB-CG2 3.72Å; A98-L114 HydrophobicContact CB-CD1 4.26Å
99	A	98.6	Very high	98.3	Very high	64 Å²	64	69.7 Å²	69.7	53%	0.529	33%	0.333	S	S	.	.	H	α-helix	trans	-64.5	-40.5	176.8	0	0	0	0	0	112.1	R95 Y96 W101 N102 Y103	R95-A99 WeakPolarHBondContact O-CB 3.3Å; R95-A99 PolarHBondContact O-N 3.29Å; Y96-A99 PolarHBondContact O-N 3.43Å; A99-W101 VanDerWaalsContact C-N 3.33Å; A99-N102 PolarHBondContact O-N 2.87Å; A99-Y103 WeakPolarHBondContact O-CB 3.2Å; A99-Y103 PolarHBondContact O-N 2.83Å
100	N	98.6	Very high	98.3	Very high	36 Å²	36	67.8 Å²	67.8	19%	0.193	32%	0.319	C	S	.	.	H	α-helix	trans	-66.2	-35.2	177.1	-174.9	48.2	0	0	0	112.2	Y96 E97 A98 K104	Y96-N100 WeakPolarHBondContact O-CB 3.31Å; Y96-N100 PolarHBondContact O-N 3.08Å; E97-N100 PolarHBondContact O-N 3.24Å; A98-N100 PolarHBondContact O-N 2.96Å; N100-K104 WeakPolarHBondContact O-CB 3.42Å; N100-K104 VanDerWaalsContact O-CG 3.31Å; N100-K104 WeakPolarHBondContact O-CG 3.41Å; N100-K104 PolarHBondContact O-N 2.99Å; N100-K104 VanDerWaalsContact OD1-CE 3.3Å; N100-K104 WeakPolarHBondContact OD1-CE 3.43Å
101	W	98.7	Very high	98.2	Very high	40 Å²	40	67.8 Å²	67.8	15%	0.152	32%	0.319	C	S	.	.	H	α-helix	trans	-60.2	-53.6	172.6	179.9	-76.7	0	0	0	110.9	E97 A98 A99 Y103 K104 Y105 Y107 I109 M113	E97-W101 WeakPolarHBondContact O-CB 3.31Å; E97-W101 PolarHBondContact O-N 3.25Å; A98-W101 WeakPolarHBondContact O-CB 3.43Å; A98-W101 PolarHBondContact O-N 2.88Å; A99-W101 VanDerWaalsContact C-N 3.33Å; W101-Y103 VanDerWaalsContact C-N 3.28Å; W101-Y103 PolarHBondContact O-N 2.86Å; W101-K104 PolarHBondContact O-N 3.25Å; W101-K104 VanDerWaalsContact O-N 3.07Å; W101-Y105 HydrophobicContact CB-CD2 4.36Å; W101-Y105 AromaticContact CD1-CD2 3.95Å; W101-Y105 AromaticContact CD2-CD2 3.46Å; W101-Y105 HydrophobicContact CD2-CD2 3.46Å; W101-Y105 VanDerWaalsContact CD2-CD2 3.46Å; 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 3.89Å; W101-Y105 HydrophobicContact CE3-CD2 3.89Å; W101-Y105 AromaticContact CE3-CE2 3.62Å; W101-Y105 HydrophobicContact CE3-CE2 3.62Å; W101-Y105 AromaticContact CG-CD2 3.69Å; W101-Y105 HydrophobicContact CG-CD2 3.69Å; W101-Y105 HydrophobicContact CG-CE2 4.24Å; W101-Y105 HydrophobicContact CH2-CE2 4.4Å; W101-Y105 HydrophobicContact CZ2-CD2 4.22Å; W101-Y105 HydrophobicContact CZ3-CD2 4.41Å; W101-Y105 AromaticContact CZ3-CE2 3.97Å; W101-Y105 HydrophobicContact CZ3-CE2 3.97Å; W101-Y105 AromaticContact NE1-CD2 3.9Å; W101-Y105 VanDerWaalsContact O-CD2 3.31Å; W101-Y105 WeakPolarHBondContact O-CD2 3.39Å; W101-Y105 PolarHBondContact O-N 3.48Å; W101-Y107 VanDerWaalsContact CD1-O 3.24Å; W101-Y107 HydrophobicContact CZ2-CE2 4.23Å; W101-Y107 AromaticContact CZ2-CZ 3.84Å; W101-Y107 WeakPolarHBondContact CZ2-OH 3.4Å; W101-Y107 AromaticContact NE1-CE2 3.67Å; W101-Y107 AromaticContact NE1-CZ 3.68Å; W101-I109 HydrophobicContact CB-CB 3.97Å; W101-I109 HydrophobicContact CB-CD1 3.93Å; W101-I109 HydrophobicContact CB-CG1 4.2Å; W101-I109 HydrophobicContact CD2-CB 4.02Å; W101-I109 HydrophobicContact CD2-CD1 3.8Å; W101-I109 HydrophobicContact CD2-CG1 3.61Å; W101-I109 HydrophobicContact CE3-CD1 3.71Å; W101-I109 HydrophobicContact CE3-CG1 3.92Å; W101-I109 HydrophobicContact CG-CB 3.6Å; W101-I109 HydrophobicContact CG-CD1 3.91Å; W101-I109 HydrophobicContact CG-CG1 3.73Å; W101-I109 HydrophobicContact CZ3-CD1 4.47Å; W101-M113 HydrophobicContact CH2-CB 4.11Å; W101-M113 HydrophobicContact CH2-CE 3.81Å; W101-M113 HydrophobicContact CH2-CG 4.04Å; W101-M113 HydrophobicContact CZ3-CB 4.24Å; W101-M113 HydrophobicContact CZ3-CE 3.86Å
102	N	97.7	Very high	98.2	Very high	75 Å²	75	70.1 Å²	70.1	40%	0.401	33%	0.331	S	S	.	.	H	α-helix	trans	-59.6	-40.6	179.6	-172.3	35.6	0	0	0	111.7	A98 A99 K104 G106 Y107	A98-N102 PolarHBondContact O-N 3.19Å; A98-N102 VanDerWaalsContact O-N 3.14Å; A99-N102 PolarHBondContact O-N 2.87Å; N102-K104 PolarHBondContact O-N 2.82Å; N102-G106 VanDerWaalsContact O-CA 3.25Å; N102-G106 WeakPolarHBondContact O-CA 3.46Å; N102-G106 PolarHBondContact O-N 2.94Å; N102-Y107 WeakPolarHBondContact CA-O 3.35Å; N102-Y107 PolarHBondContact OD1-N 3.49Å; N102-Y107 PolarHBondContact OD1-O 2.84Å
103	Y	98.3	Very high	98.2	Very high	198 Å²	198	67.4 Å²	67.4	78%	0.776	32%	0.32	S	S	*	.	H	α-helix	trans	-60.1	-41.2	174.7	174.7	-103.4	0	0	0	113.3	A99 W101	A99-Y103 WeakPolarHBondContact O-CB 3.2Å; A99-Y103 PolarHBondContact O-N 2.83Å; W101-Y103 VanDerWaalsContact C-N 3.28Å; W101-Y103 PolarHBondContact O-N 2.86Å
104	K	98.4	Very high	98.2	Very high	126 Å²	126	62.8 Å²	62.8	55%	0.548	30%	0.302	S	S	.	.	H	α-helix	trans	-81.8	-37.2	-175.7	-74.3	178.8	176.2	-176.3	0	113.9	N100 W101 N102	N100-K104 WeakPolarHBondContact O-CB 3.42Å; N100-K104 VanDerWaalsContact O-CG 3.31Å; N100-K104 WeakPolarHBondContact O-CG 3.41Å; N100-K104 PolarHBondContact O-N 2.99Å; N100-K104 VanDerWaalsContact OD1-CE 3.3Å; N100-K104 WeakPolarHBondContact OD1-CE 3.43Å; W101-K104 PolarHBondContact O-N 3.25Å; W101-K104 VanDerWaalsContact O-N 3.07Å; N102-K104 PolarHBondContact O-N 2.82Å
105	Y	98.2	Very high	98.1	Very high	139 Å²	139	62.9 Å²	62.9	55%	0.545	30%	0.303	S	S	.	.	H	α-helix	trans	-111.3	-13.9	-169.4	-55.2	-64.3	0	0	0	113.2	W101 Y107	W101-Y105 HydrophobicContact CB-CD2 4.36Å; W101-Y105 AromaticContact CD1-CD2 3.95Å; W101-Y105 AromaticContact CD2-CD2 3.46Å; W101-Y105 HydrophobicContact CD2-CD2 3.46Å; W101-Y105 VanDerWaalsContact CD2-CD2 3.46Å; 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 3.89Å; W101-Y105 HydrophobicContact CE3-CD2 3.89Å; W101-Y105 AromaticContact CE3-CE2 3.62Å; W101-Y105 HydrophobicContact CE3-CE2 3.62Å; W101-Y105 AromaticContact CG-CD2 3.69Å; W101-Y105 HydrophobicContact CG-CD2 3.69Å; W101-Y105 HydrophobicContact CG-CE2 4.24Å; W101-Y105 HydrophobicContact CH2-CE2 4.4Å; W101-Y105 HydrophobicContact CZ2-CD2 4.22Å; W101-Y105 HydrophobicContact CZ3-CD2 4.41Å; W101-Y105 AromaticContact CZ3-CE2 3.97Å; W101-Y105 HydrophobicContact CZ3-CE2 3.97Å; W101-Y105 AromaticContact NE1-CD2 3.9Å; W101-Y105 VanDerWaalsContact O-CD2 3.31Å; W101-Y105 WeakPolarHBondContact O-CD2 3.39Å; W101-Y105 PolarHBondContact O-N 3.48Å; Y105-Y107 VanDerWaalsContact C-N 3.33Å; Y105-Y107 WeakPolarHBondContact O-CD1 3.01Å; Y105-Y107 PolarHBondContact O-N 2.85Å
106	G	97.9	Very high	98.1	Very high	64 Å²	64	62.5 Å²	62.5	66%	0.66	30%	0.304	S	S	*	.	S	Bend	trans	77.3	12.7	174.1	0	0	0	0	0	115.3	N102	N102-G106 VanDerWaalsContact O-CA 3.25Å; N102-G106 WeakPolarHBondContact O-CA 3.46Å; N102-G106 PolarHBondContact O-N 2.94Å
107	Y	96.9	Very high	98.1	Very high	125 Å²	125	61.2 Å²	61.2	49%	0.49	30%	0.298	S	S	.	.	S	Bend	trans	-143.2	163.1	174.9	71	-83.8	0	0	0	111.1	W101 N102 Y105 P110	W101-Y107 VanDerWaalsContact CD1-O 3.24Å; W101-Y107 HydrophobicContact CZ2-CE2 4.23Å; W101-Y107 AromaticContact CZ2-CZ 3.84Å; W101-Y107 WeakPolarHBondContact CZ2-OH 3.4Å; W101-Y107 AromaticContact NE1-CE2 3.67Å; W101-Y107 AromaticContact NE1-CZ 3.68Å; N102-Y107 WeakPolarHBondContact CA-O 3.35Å; N102-Y107 PolarHBondContact OD1-N 3.49Å; N102-Y107 PolarHBondContact OD1-O 2.84Å; Y105-Y107 VanDerWaalsContact C-N 3.33Å; Y105-Y107 WeakPolarHBondContact O-CD1 3.01Å; Y105-Y107 PolarHBondContact O-N 2.85Å; Y107-P110 HydrophobicContact CE2-CG 4.31Å
108	E	96.4	Very high	98.1	Very high	67 Å²	67	60.7 Å²	60.7	31%	0.313	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-63.5	141	-178.5	-171.3	63.4	-165	0	0	111.6	T73 P110	T73-E108 WeakPolarHBondContact CB-OE1 3.35Å; T73-E108 WeakPolarHBondContact CG2-OE1 2.86Å; T73-E108 PolarHBondContact OG1-OE1 2.85Å; E108-P110 WeakPolarHBondContact O-CD 3.48Å
109	I	98.1	Very high	98.1	Very high	7 Å²	7	60.6 Å²	60.6	4%	0.036	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-68.3	131.6	180	-169.6	168	0	0	0	111	I76 A98 W101 M113 L114	I76-I109 HydrophobicContact CD1-CG2 3.74Å; I76-I109 WeakPolarHBondContact CD1-O 3.44Å; A98-I109 HydrophobicContact CB-CG2 3.72Å; W101-I109 HydrophobicContact CB-CB 3.97Å; W101-I109 HydrophobicContact CB-CD1 3.93Å; W101-I109 HydrophobicContact CB-CG1 4.2Å; W101-I109 HydrophobicContact CD2-CB 4.02Å; W101-I109 HydrophobicContact CD2-CD1 3.8Å; W101-I109 HydrophobicContact CD2-CG1 3.61Å; W101-I109 HydrophobicContact CE3-CD1 3.71Å; W101-I109 HydrophobicContact CE3-CG1 3.92Å; W101-I109 HydrophobicContact CG-CB 3.6Å; W101-I109 HydrophobicContact CG-CD1 3.91Å; W101-I109 HydrophobicContact CG-CG1 3.73Å; W101-I109 HydrophobicContact CZ3-CD1 4.47Å; I109-M113 HydrophobicContact CD1-CB 4.48Å; I109-M113 HydrophobicContact CG1-CB 4.12Å; I109-L114 HydrophobicContact CD1-CB 3.89Å; I109-L114 HydrophobicContact CD1-CD1 4.21Å; I109-L114 HydrophobicContact CG1-CB 4.23Å; I109-L114 HydrophobicContact CG2-CB 4.27Å
110	P	97.8	Very high	98.1	Very high	29 Å²	29	61 Å²	61	19%	0.188	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-62.9	145.1	169.6	-27.3	38.3	0	0	0	112.1	Y107 E108 D112 M113 L114	Y107-P110 HydrophobicContact CE2-CG 4.31Å; E108-P110 WeakPolarHBondContact O-CD 3.48Å; P110-D112 VanDerWaalsContact C-N 3.28Å; P110-D112 WeakPolarHBondContact CB-OD1 3.47Å; P110-D112 PolarHBondContact O-N 2.84Å; P110-M113 HydrophobicContact CB-CB 4.26Å; P110-M113 HydrophobicContact CB-CG 4.17Å; P110-M113 HydrophobicContact CG-CG 4.37Å; P110-M113 PolarHBondContact O-N 3.46Å; P110-M113 VanDerWaalsContact O-N 3.14Å; P110-L114 PolarHBondContact O-N 3.29Å
111	V	97.4	Very high	98.1	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-60.8	-39.3	-175.3	-178.5	0	0	0	0	111.8	I76 L114 C115 V140 Q150 Y152	I76-V111 HydrophobicContact CD1-CG2 4.35Å; I76-V111 HydrophobicContact CG1-CG2 4.27Å; V111-L114 PolarHBondContact O-N 3.35Å; V111-C115 WeakPolarHBondContact O-CB 3.48Å; V111-C115 PolarHBondContact O-N 2.84Å; V111-C115 PolarHBondContact O-SG 3.1Å; V111-V140 HydrophobicContact CG1-CB 4.24Å; V111-V140 HydrophobicContact CG1-CG1 3.78Å; V111-Q150 HydrophobicContact CB-CB 4.05Å; V111-Q150 HydrophobicContact CG1-CB 4.24Å; V111-Q150 HydrophobicContact CG2-CB 4.17Å; V111-Y152 HydrophobicContact CB-CD2 4.42Å; V111-Y152 HydrophobicContact CG1-CD2 3.82Å; V111-Y152 HydrophobicContact CG1-CG 4.47Å
112	D	97.6	Very high	98.1	Very high	52 Å²	52	58.7 Å²	58.7	28%	0.278	28%	0.278	S	S	.	.	H	α-helix	trans	-63.7	-42.5	177.3	69.2	-50.9	0	0	0	111.5	P110 C115 K116 Y152	P110-D112 VanDerWaalsContact C-N 3.28Å; P110-D112 WeakPolarHBondContact CB-OD1 3.47Å; P110-D112 PolarHBondContact O-N 2.84Å; D112-C115 PolarHBondContact O-N 2.81Å; D112-K116 WeakPolarHBondContact O-CB 3.31Å; D112-K116 PolarHBondContact O-N 3.18Å; D112-Y152 HydrophobicContact CB-CE1 3.9Å; D112-Y152 HydrophobicContact CB-CE2 3.9Å; D112-Y152 VanDerWaalsContact CB-CZ 3.47Å; D112-Y152 WeakPolarHBondContact CB-OH 3.49Å
113	M	98.3	Very high	98.1	Very high	59 Å²	59	58.1 Å²	58.1	29%	0.291	27%	0.273	S	S	.	.	H	α-helix	trans	-68.6	-39.4	178.6	-71.3	-56.9	-63.2	0	0	112.2	W101 I109 P110 K116 R117	W101-M113 HydrophobicContact CH2-CB 4.11Å; W101-M113 HydrophobicContact CH2-CE 3.81Å; W101-M113 HydrophobicContact CH2-CG 4.04Å; W101-M113 HydrophobicContact CZ3-CB 4.24Å; W101-M113 HydrophobicContact CZ3-CE 3.86Å; I109-M113 HydrophobicContact CD1-CB 4.48Å; I109-M113 HydrophobicContact CG1-CB 4.12Å; P110-M113 HydrophobicContact CB-CB 4.26Å; P110-M113 HydrophobicContact CB-CG 4.17Å; P110-M113 HydrophobicContact CG-CG 4.37Å; P110-M113 PolarHBondContact O-N 3.46Å; P110-M113 VanDerWaalsContact O-N 3.14Å; M113-K116 PolarHBondContact O-N 3.06Å; M113-K116 HydrophobicContact SD-CD 4.36Å; M113-R117 WeakPolarHBondContact O-CB 3.21Å; M113-R117 PolarHBondContact O-N 3.41Å
114	L	98.6	Very high	98.1	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-60.7	-48.6	172.1	179	64.2	0	0	0	110.6	I72 I76 A94 A98 I109 P110 V111 K116 R117 M118 V140	I72-L114 HydrophobicContact CG2-CD2 3.95Å; I76-L114 HydrophobicContact CD1-CD2 4.11Å; I76-L114 HydrophobicContact CG2-CD2 3.89Å; A94-L114 HydrophobicContact CB-CD1 4.3Å; A98-L114 HydrophobicContact CB-CD1 4.26Å; I109-L114 HydrophobicContact CD1-CB 3.89Å; I109-L114 HydrophobicContact CD1-CD1 4.21Å; I109-L114 HydrophobicContact CG1-CB 4.23Å; I109-L114 HydrophobicContact CG2-CB 4.27Å; P110-L114 PolarHBondContact O-N 3.29Å; V111-L114 PolarHBondContact O-N 3.35Å; L114-K116 PolarHBondContact O-N 3.46Å; L114-R117 PolarHBondContact O-N 3.4Å; L114-M118 HydrophobicContact CD1-CG 4.43Å; L114-M118 WeakPolarHBondContact O-CG 3.42Å; L114-M118 PolarHBondContact O-N 2.96Å; L114-V140 HydrophobicContact CD2-CG1 4.49Å
115	C	98.3	Very high	98.1	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.007	24%	0.239	C	C	.	.	H	α-helix	trans	-64	-42	-179.6	-68.7	0	0	0	0	112	V111 D112 R117 M118 A119 V140 Y152 Y160	V111-C115 WeakPolarHBondContact O-CB 3.48Å; V111-C115 PolarHBondContact O-N 2.84Å; V111-C115 PolarHBondContact O-SG 3.1Å; D112-C115 PolarHBondContact O-N 2.81Å; C115-R117 VanDerWaalsContact C-N 3.33Å; C115-R117 PolarHBondContact O-N 3.38Å; C115-M118 PolarHBondContact O-N 2.95Å; C115-A119 WeakPolarHBondContact O-CB 3.31Å; C115-A119 PolarHBondContact O-N 3.11Å; C115-V140 VanDerWaalsContact SG-CG2 3.5Å; C115-Y152 HydrophobicContact CB-CD1 4.36Å; C115-Y152 HydrophobicContact CB-CG 4.38Å; C115-Y152 WeakPolarHBondContact SG-CB 3.36Å; C115-Y160 HydrophobicContact CB-CD2 3.77Å; C115-Y160 HydrophobicContact CB-CG 4.35Å
116	K	98.6	Very high	98	Very high	84 Å²	84	42.3 Å²	42.3	37%	0.365	22%	0.216	S	C	.	.	H	α-helix	trans	-55.4	-49.4	172.6	-175	178.1	-179.5	177.4	0	111.3	D112 M113 L114 M118 A119 D120 Y160	D112-K116 WeakPolarHBondContact O-CB 3.31Å; D112-K116 PolarHBondContact O-N 3.18Å; M113-K116 PolarHBondContact O-N 3.06Å; M113-K116 HydrophobicContact SD-CD 4.36Å; L114-K116 PolarHBondContact O-N 3.46Å; K116-M118 VanDerWaalsContact C-N 3.31Å; K116-M118 PolarHBondContact O-N 2.94Å; K116-A119 WeakPolarHBondContact O-CB 3.45Å; K116-A119 PolarHBondContact O-N 3.08Å; K116-A119 VanDerWaalsContact O-N 3.15Å; K116-D120 VanDerWaalsContact O-CG 3.27Å; K116-D120 PolarHBondContact O-N 2.84Å; K116-Y160 HydrophobicContact CB-CD1 4.43Å; K116-Y160 HydrophobicContact CB-CE1 3.75Å; K116-Y160 HydrophobicContact CB-CE2 3.88Å; K116-Y160 VanDerWaalsContact CB-CZ 3.43Å; K116-Y160 WeakPolarHBondContact CB-OH 3.47Å; K116-Y160 HydrophobicContact CG-CE1 3.73Å; K116-Y160 WeakPolarHBondContact CG-OH 3.46Å
117	R	98.6	Very high	98	Very high	100 Å²	100	45.6 Å²	45.6	38%	0.377	21%	0.214	S	C	.	.	H	α-helix	trans	-61.7	-40.9	-179.2	-177	57	175	159.1	8.1	111.9	E97 M113 L114 C115 I121	E97-R117 HydrophobicContact CB-CG 4.13Å; E97-R117 VanDerWaalsContact CD-NE 3.29Å; E97-R117 HydrophobicContact CG-CG 3.88Å; E97-R117 IonicContact OE1-CZ 2.7Å; E97-R117 IonicContact OE1-NE 2.83Å; E97-R117 PolarHBondContact OE1-NE 2.95Å; E97-R117 IonicContact OE1-NH2 3.12Å; E97-R117 PolarHBondContact OE1-NH2 3.06Å; E97-R117 IonicContact OE2-CZ 3.19Å; E97-R117 IonicContact OE2-NE 3.52Å; E97-R117 PolarHBondContact OE2-NE 2.94Å; E97-R117 IonicContact OE2-NH2 2.75Å; M113-R117 WeakPolarHBondContact O-CB 3.21Å; M113-R117 PolarHBondContact O-N 3.41Å; L114-R117 PolarHBondContact O-N 3.4Å; C115-R117 VanDerWaalsContact C-N 3.33Å; C115-R117 PolarHBondContact O-N 3.38Å; R117-I121 HydrophobicContact CG-CD1 4.24Å; R117-I121 WeakPolarHBondContact O-CD1 3.45Å; R117-I121 VanDerWaalsContact O-CG1 3.28Å; R117-I121 WeakPolarHBondContact O-CG1 3.31Å; R117-I121 PolarHBondContact O-N 2.67Å; R117-I121 VanDerWaalsContact O-N 3.11Å
118	M	98.6	Very high	98	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.015	21%	0.207	C	C	.	.	H	α-helix	trans	-67.8	-35.6	176.1	-66.2	-47.5	-62.5	0	0	112.6	Q90 R93 A94 L114 C115 K116 I121 S122 M138	Q90-M118 HydrophobicContact CG-CE 3.42Å; Q90-M118 VanDerWaalsContact CG-CE 3.42Å; Q90-M118 WeakPolarHBondContact O-CE 3.29Å; R93-M118 HydrophobicContact CB-CE 4Å; R93-M118 HydrophobicContact CG-CE 4.03Å; R93-M118 HydrophobicContact CG-SD 4.23Å; A94-M118 VanDerWaalsContact CA-SD 3.56Å; A94-M118 HydrophobicContact CB-CE 4.17Å; A94-M118 HydrophobicContact CB-CG 4.16Å; A94-M118 HydrophobicContact CB-SD 3.82Å; L114-M118 HydrophobicContact CD1-CG 4.43Å; L114-M118 WeakPolarHBondContact O-CG 3.42Å; L114-M118 PolarHBondContact O-N 2.96Å; C115-M118 PolarHBondContact O-N 2.95Å; K116-M118 VanDerWaalsContact C-N 3.31Å; K116-M118 PolarHBondContact O-N 2.94Å; M118-I121 HydrophobicContact SD-CD1 4.37Å; M118-S122 WeakPolarHBondContact O-CB 3.49Å; M118-S122 PolarHBondContact O-N 2.72Å; M118-S122 PolarHBondContact O-OG 2.74Å; M118-M138 HydrophobicContact CG-SD 4.44Å
119	A	98.6	Very high	97.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66	-47	174	0	0	0	0	0	111.7	C115 K116 I121 S122 Q123 C154 G158 Y160	C115-A119 WeakPolarHBondContact O-CB 3.31Å; C115-A119 PolarHBondContact O-N 3.11Å; K116-A119 WeakPolarHBondContact O-CB 3.45Å; K116-A119 PolarHBondContact O-N 3.08Å; K116-A119 VanDerWaalsContact O-N 3.15Å; A119-I121 VanDerWaalsContact C-N 3.31Å; A119-I121 PolarHBondContact O-N 3.15Å; A119-S122 CarbonylContact O-C 3.6Å; A119-S122 WeakPolarHBondContact O-CA 3.47Å; A119-S122 WeakPolarHBondContact O-CB 3.49Å; A119-S122 PolarHBondContact O-N 2.9Å; A119-Q123 WeakPolarHBondContact O-CB 3.36Å; A119-Q123 PolarHBondContact O-N 3.14Å; A119-C154 WeakPolarHBondContact CA-SG 3.19Å; A119-G158 WeakPolarHBondContact CB-O 3.16Å; A119-G158 VanDerWaalsContact O-CA 3.28Å; A119-G158 WeakPolarHBondContact O-CA 3.46Å; A119-Y160 HydrophobicContact CB-CD1 3.68Å; A119-Y160 HydrophobicContact CB-CG 4.11Å
120	D	98.6	Very high	97.8	Very high	73 Å²	73	47.6 Å²	47.6	39%	0.39	24%	0.238	S	C	.	.	H	α-helix	trans	-58.3	-42.5	176.7	-68.6	-20.2	0	0	0	111.5	K116 S122 Q123 V124	K116-D120 VanDerWaalsContact O-CG 3.27Å; K116-D120 PolarHBondContact O-N 2.84Å; D120-S122 VanDerWaalsContact C-N 3.34Å; D120-Q123 WeakPolarHBondContact O-CB 3.31Å; D120-Q123 PolarHBondContact O-N 3.32Å; D120-V124 PolarHBondContact O-N 3.33Å
121	I	98.4	Very high	97.7	Very high	24 Å²	24	50.1 Å²	50.1	12%	0.123	25%	0.248	C	C	.	.	H	α-helix	trans	-65.6	-40.3	175.6	-67.8	163.5	0	0	0	110.8	R93 E97 R117 M118 A119 Q123 V124 Y125	R93-I121 HydrophobicContact CG-CD1 3.89Å; E97-I121 HydrophobicContact CG-CD1 4.1Å; R117-I121 HydrophobicContact CG-CD1 4.24Å; R117-I121 WeakPolarHBondContact O-CD1 3.45Å; R117-I121 VanDerWaalsContact O-CG1 3.28Å; R117-I121 WeakPolarHBondContact O-CG1 3.31Å; R117-I121 PolarHBondContact O-N 2.67Å; R117-I121 VanDerWaalsContact O-N 3.11Å; M118-I121 HydrophobicContact SD-CD1 4.37Å; A119-I121 VanDerWaalsContact C-N 3.31Å; A119-I121 PolarHBondContact O-N 3.15Å; I121-Q123 VanDerWaalsContact C-N 3.29Å; I121-Q123 PolarHBondContact O-N 3.45Å; I121-V124 PolarHBondContact O-N 3.02Å; I121-Y125 HydrophobicContact CG2-CE2 4.23Å
122	S	98.2	Very high	97.7	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-67.1	-35.3	179.3	-56.8	0	0	0	0	111.4	Q90 M118 A119 D120 V124 Y125	Q90-S122 PolarHBondContact NE2-OG 2.83Å; M118-S122 WeakPolarHBondContact O-CB 3.49Å; M118-S122 PolarHBondContact O-N 2.72Å; M118-S122 PolarHBondContact O-OG 2.74Å; A119-S122 CarbonylContact O-C 3.6Å; A119-S122 WeakPolarHBondContact O-CA 3.47Å; A119-S122 WeakPolarHBondContact O-CB 3.49Å; A119-S122 PolarHBondContact O-N 2.9Å; D120-S122 VanDerWaalsContact C-N 3.34Å; S122-V124 VanDerWaalsContact C-N 3.29Å; S122-V124 PolarHBondContact O-N 3.33Å; S122-Y125 WeakPolarHBondContact O-CB 3.38Å; S122-Y125 PolarHBondContact O-N 2.98Å; S122-Y125 VanDerWaalsContact O-N 3.13Å
123	Q	98.3	Very high	97.7	Very high	62 Å²	62	53.2 Å²	53.2	29%	0.29	26%	0.256	S	S	.	.	H	α-helix	trans	-61.7	-35.2	177.7	-171.3	-84.3	-3.7	0	0	112.2	A119 D120 I121 Y125 T126 Q127	A119-Q123 WeakPolarHBondContact O-CB 3.36Å; A119-Q123 PolarHBondContact O-N 3.14Å; D120-Q123 WeakPolarHBondContact O-CB 3.31Å; D120-Q123 PolarHBondContact O-N 3.32Å; I121-Q123 VanDerWaalsContact C-N 3.29Å; I121-Q123 PolarHBondContact O-N 3.45Å; Q123-Y125 VanDerWaalsContact C-N 3.26Å; Q123-Y125 PolarHBondContact O-N 3.22Å; Q123-T126 WeakPolarHBondContact O-CA 3.34Å; Q123-T126 WeakPolarHBondContact O-CB 3.34Å; Q123-T126 PolarHBondContact O-N 2.66Å; Q123-T126 PolarHBondContact O-OG1 3.2Å; Q123-Q127 PolarHBondContact O-N 2.98Å
124	V	98.3	Very high	97.7	Very high	62 Å²	62	51.6 Å²	51.6	38%	0.376	25%	0.249	S	C	.	.	H	α-helix	trans	-56.7	-42.1	174.4	176.6	0	0	0	0	111	D120 I121 S122 T126 Q127 N128	D120-V124 PolarHBondContact O-N 3.33Å; I121-V124 PolarHBondContact O-N 3.02Å; S122-V124 VanDerWaalsContact C-N 3.29Å; S122-V124 PolarHBondContact O-N 3.33Å; V124-T126 PolarHBondContact O-N 2.97Å; V124-T126 VanDerWaalsContact O-N 3.16Å; V124-Q127 PolarHBondContact O-N 3.34Å; V124-Q127 VanDerWaalsContact O-N 3.14Å; V124-N128 WeakPolarHBondContact O-CB 3.33Å; V124-N128 PolarHBondContact O-N 3.01Å
125	Y	97.4	Very high	97.7	Very high	57 Å²	57	51.7 Å²	51.7	22%	0.224	25%	0.25	C	C	.	.	H	α-helix	trans	-66.6	-14.7	176.7	-54.4	-55.3	0	0	0	113.9	I121 S122 Q123 M131 L134	I121-Y125 HydrophobicContact CG2-CE2 4.23Å; S122-Y125 WeakPolarHBondContact O-CB 3.38Å; S122-Y125 PolarHBondContact O-N 2.98Å; S122-Y125 VanDerWaalsContact O-N 3.13Å; Q123-Y125 VanDerWaalsContact C-N 3.26Å; Q123-Y125 PolarHBondContact O-N 3.22Å; Y125-M131 HydrophobicContact CD1-CB 4.07Å; Y125-M131 HydrophobicContact CD1-CE 3.65Å; Y125-M131 HydrophobicContact CD1-SD 4.01Å; Y125-M131 HydrophobicContact CE1-CE 3.69Å; Y125-M131 HydrophobicContact CE1-SD 3.83Å; Y125-L134 HydrophobicContact CD2-CG 4.3Å; Y125-L134 HydrophobicContact CE2-CD1 4.17Å; Y125-L134 HydrophobicContact CE2-CG 4.1Å
126	T	97.4	Very high	97.7	Very high	12 Å²	12	51.6 Å²	51.6	7%	0.074	25%	0.249	C	C	.	.	H	α-helix	trans	-90.6	-16.2	176.6	75.5	0	0	0	0	113.1	T14 V25 Q123 V124 P133 P156	T14-T126 WeakPolarHBondContact CB-O 3.3Å; V25-T126 HydrophobicContact CG2-CG2 3.94Å; Q123-T126 WeakPolarHBondContact O-CA 3.34Å; Q123-T126 WeakPolarHBondContact O-CB 3.34Å; Q123-T126 PolarHBondContact O-N 2.66Å; Q123-T126 PolarHBondContact O-OG1 3.2Å; V124-T126 PolarHBondContact O-N 2.97Å; V124-T126 VanDerWaalsContact O-N 3.16Å; T126-P133 HydrophobicContact CG2-CG 4.29Å; T126-P156 WeakPolarHBondContact CG2-O 3.48Å
127	Q	97.2	Very high	97.7	Very high	133 Å²	133	47.8 Å²	47.8	62%	0.621	23%	0.233	S	C	*	.	H	α-helix	trans	-107.1	-29	-179.5	-68.1	-165.6	-27.7	0	0	113	Q123 V124	Q123-Q127 PolarHBondContact O-N 2.98Å; V124-Q127 PolarHBondContact O-N 3.34Å; V124-Q127 VanDerWaalsContact O-N 3.14Å
128	N	96.3	Very high	97.7	Very high	61 Å²	61	43.1 Å²	43.1	33%	0.326	22%	0.216	S	C	.	.			trans	-86.4	126.5	177.2	-79.2	47.9	0	0	0	110.2	T14 V124 E130	T14-N128 PolarHBondContact OG1-O 3.48Å; V124-N128 WeakPolarHBondContact O-CB 3.33Å; V124-N128 PolarHBondContact O-N 3.01Å; N128-E130 WeakPolarHBondContact CB-OE1 3.19Å; N128-E130 WeakPolarHBondContact CB-OE2 3.49Å; N128-E130 PolarHBondContact ND2-OE1 3.49Å
129	A	95.4	Very high	97.7	Very high	47 Å²	47	43 Å²	43	39%	0.388	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-14.3	-173.1	0	0	0	0	0	114.2	I13 T14 M131	I13-A129 HydrophobicContact CB-CB 4.27Å; I13-A129 HydrophobicContact CD1-CB 4.33Å; T14-A129 WeakPolarHBondContact OG1-CA 3.24Å; A129-M131 VanDerWaalsContact C-N 3.33Å
130	E	96.2	Very high	97.7	Very high	134 Å²	134	43 Å²	43	63%	0.626	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-10.6	-177.4	73.3	-73.4	-179.9	0	0	113.6	N128	N128-E130 WeakPolarHBondContact CB-OE1 3.19Å; N128-E130 WeakPolarHBondContact CB-OE2 3.49Å; N128-E130 PolarHBondContact ND2-OE1 3.49Å
131	M	95.7	Very high	97.7	Very high	81 Å²	81	39.6 Å²	39.6	40%	0.399	20%	0.197	S	C	.	.	S	Bend	trans	-129.2	156.5	-179.9	-52.8	-167.1	-82.7	0	0	111	Y125 A129	Y125-M131 HydrophobicContact CD1-CB 4.07Å; Y125-M131 HydrophobicContact CD1-CE 3.65Å; Y125-M131 HydrophobicContact CD1-SD 4.01Å; Y125-M131 HydrophobicContact CE1-CE 3.69Å; Y125-M131 HydrophobicContact CE1-SD 3.83Å; A129-M131 VanDerWaalsContact C-N 3.33Å
132	R	97.6	Very high	97.7	Very high	116 Å²	116	38.4 Å²	38.4	44%	0.438	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-94.9	150.7	170.7	64.3	170.4	-175.6	78.4	-0.5	110.8	D86	D86-R132 IonicContact OD1-CZ 3.16Å; D86-R132 IonicContact OD1-NH1 2.66Å; D86-R132 IonicContact OD1-NH2 3.1Å; D86-R132 PolarHBondContact OD1-NH2 3.5Å; D86-R132 IonicContact OD2-CZ 2.64Å; D86-R132 IonicContact OD2-NH1 3.2Å; D86-R132 PolarHBondContact OD2-NH1 2.94Å; D86-R132 IonicContact OD2-NH2 3.12Å; D86-R132 PolarHBondContact OD2-NH2 2.83Å; D86-R132 VanDerWaalsContact OD2-NH2 3.12Å
133	P	98	Very high	97.6	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.026	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-56.6	149.3	163.2	-22.7	33.3	0	0	0	111.6	V25 A28 T126 P156	V25-P133 HydrophobicContact CG2-CG 4.19Å; A28-P133 HydrophobicContact CB-CB 3.99Å; T126-P133 HydrophobicContact CG2-CG 4.29Å; P133-P156 HydrophobicContact CB-CB 4.34Å
134	L	98.3	Very high	97.3	Very high	26 Å²	26	38.2 Å²	38.2	14%	0.136	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-71.6	131.6	174.5	-62.7	-175.5	0	0	0	109.9	D86 Q90 Y125 C136 P156	D86-L134 HydrophobicContact CB-CB 4.16Å; D86-L134 HydrophobicContact CB-CD2 4.2Å; D86-L134 WeakPolarHBondContact OD2-CA 2.84Å; Q90-L134 HydrophobicContact CB-CD1 4.24Å; Y125-L134 HydrophobicContact CD2-CG 4.3Å; Y125-L134 HydrophobicContact CE2-CD1 4.17Å; Y125-L134 HydrophobicContact CE2-CG 4.1Å; L134-C136 PolarHBondContact O-N 2.81Å; L134-P156 VanDerWaalsContact O-CB 3.31Å; L134-P156 WeakPolarHBondContact O-CB 3.5Å; L134-P156 WeakPolarHBondContact O-CG 3.42Å
135	G	97.8	Very high	96.9	Very high	2 Å²	2	44.7 Å²	44.7	2%	0.021	22%	0.217	C	C	.	.	S	Bend	trans	-82.8	40.5	-177.5	0	0	0	0	0	113.2	M83 D86	M83-G135 PolarHBondContact N-O 3.35Å; D86-G135 PolarHBondContact OD2-N 3.2Å
136	C	98.1	Very high	96.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	154.9	-177.6	61	0	0	0	0	111.8	M80 T81 D86 S87 Q90 L134 P156	M80-C136 HydrophobicContact CE-CB 4.19Å; T81-C136 CarbonylContact O-C 3.54Å; T81-C136 WeakPolarHBondContact O-CA 3.31Å; D86-C136 HydrophobicContact CB-CB 4.28Å; S87-C136 WeakPolarHBondContact OG-CB 3.49Å; Q90-C136 PolarHBondContact OE1-SG 3.07Å; L134-C136 PolarHBondContact O-N 2.81Å; C136-P156 WeakPolarHBondContact O-CG 3.26Å
137	C	98.2	Very high	96.5	Very high	4 Å²	4	55.8 Å²	55.8	3%	0.027	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	133.7	174.6	-175.1	0	0	0	0	108.2	I32 T81 K153 C154 A168	I32-C137 HydrophobicContact CD1-CB 3.79Å; I32-C137 HydrophobicContact CG1-CB 4.33Å; I32-C137 HydrophobicContact CG2-CB 4.37Å; T81-C137 PolarHBondContact N-O 2.81Å; T81-C137 PolarHBondContact O-N 2.87Å; C137-K153 VanDerWaalsContact SG-CG 3.6Å; C137-C154 PolarHBondContact SG-O 2.94Å; C137-A168 HydrophobicContact CB-CB 4.25Å
138	M	98.7	Very high	96.4	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122	-179.7	-178.5	177.7	-78.7	0	0	108.8	C78 M80 Q90 V91 A94 M118 V140 K153 C154	C78-M138 HydrophobicContact CB-CG 4.14Å; M80-M138 HydrophobicContact CE-CB 3.97Å; M80-M138 HydrophobicContact CE-CE 3.88Å; M80-M138 HydrophobicContact CE-CG 4.44Å; M80-M138 HydrophobicContact SD-CB 3.72Å; M80-M138 HydrophobicContact SD-CE 3.48Å; M80-M138 WeakPolarHBondContact SD-CE 3.35Å; M80-M138 HydrophobicContact SD-CG 3.63Å; M80-M138 HydrophobicContact SD-SD 4.42Å; Q90-M138 HydrophobicContact CB-CE 4.17Å; Q90-M138 HydrophobicContact CG-CE 3.76Å; V91-M138 HydrophobicContact CG2-CE 4.21Å; A94-M138 HydrophobicContact CB-CE 4.13Å; A94-M138 HydrophobicContact CB-SD 4.46Å; M118-M138 HydrophobicContact CG-SD 4.44Å; M138-V140 HydrophobicContact CG-CG2 3.6Å; M138-V140 HydrophobicContact SD-CG2 3.81Å; M138-K153 CarbonylContact O-C 3.57Å; M138-K153 WeakPolarHBondContact O-CA 3.38Å; M138-C154 PolarHBondContact N-O 2.88Å; M138-C154 VanDerWaalsContact N-O 3.09Å; M138-C154 PolarHBondContact O-N 3.31Å
139	V	98.8	Very high	96.4	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.2	169.7	177	0	0	0	0	107.7	V50 C78 V79 L151 Y152 K153 T166 A168	V50-V139 HydrophobicContact CG1-CG1 4.12Å; C78-V139 CarbonylContact C-O 3.59Å; C78-V139 WeakPolarHBondContact CA-O 3.26Å; C78-V139 VanDerWaalsContact CB-O 3.31Å; C78-V139 WeakPolarHBondContact CB-O 3.43Å; V79-V139 HydrophobicContact CG1-CB 3.65Å; V79-V139 HydrophobicContact CG1-CG1 4.18Å; V79-V139 HydrophobicContact CG1-CG2 4.43Å; V79-V139 PolarHBondContact N-O 3.15Å; V79-V139 PolarHBondContact O-N 3.09Å; V139-L151 HydrophobicContact CG1-CD1 3.49Å; V139-L151 VanDerWaalsContact CG1-CD1 3.49Å; V139-Y152 CarbonylContact C-O 3.54Å; V139-Y152 WeakPolarHBondContact CA-O 3.24Å; V139-K153 HydrophobicContact CG2-CB 4.21Å; V139-K153 HydrophobicContact CG2-CD 3.91Å; V139-K153 HydrophobicContact CG2-CG 3.83Å; V139-T166 HydrophobicContact CG1-CG2 4.09Å; V139-T166 HydrophobicContact CG2-CG2 4.28Å; V139-A168 HydrophobicContact CG2-CB 4.35Å
140	V	98.8	Very high	96.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.7	-173.6	-170.2	0	0	0	0	109.2	I76 G77 C78 V111 L114 C115 M138 L151 Y152	I76-V140 HydrophobicContact CG2-CG1 3.39Å; G77-V140 WeakPolarHBondContact O-CA 3.36Å; G77-V140 WeakPolarHBondContact O-CG1 3.33Å; C78-V140 HydrophobicContact CB-CG2 4.12Å; V111-V140 HydrophobicContact CG1-CB 4.24Å; V111-V140 HydrophobicContact CG1-CG1 3.78Å; L114-V140 HydrophobicContact CD2-CG1 4.49Å; C115-V140 VanDerWaalsContact SG-CG2 3.5Å; M138-V140 HydrophobicContact CG-CG2 3.6Å; M138-V140 HydrophobicContact SD-CG2 3.81Å; V140-L151 WeakPolarHBondContact O-CA 3.39Å; V140-Y152 PolarHBondContact N-O 2.79Å; V140-Y152 PolarHBondContact O-N 3Å
141	I	98.7	Very high	96.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	146.1	168.6	58.5	167.3	0	0	0	110	A48 V50 G77 Q150 L151 I220 F227	A48-I141 HydrophobicContact CB-CB 3.92Å; A48-I141 HydrophobicContact CB-CG2 3.85Å; A48-I141 WeakPolarHBondContact O-CD1 3.32Å; V50-I141 HydrophobicContact CG1-CD1 4.27Å; V50-I141 HydrophobicContact CG1-CG1 4.32Å; V50-I141 HydrophobicContact CG1-CG2 3.68Å; V50-I141 HydrophobicContact CG2-CD1 3.95Å; V50-I141 HydrophobicContact CG2-CG1 4.4Å; G77-I141 PolarHBondContact N-O 3.13Å; G77-I141 PolarHBondContact O-N 2.88Å; I141-Q150 VanDerWaalsContact CA-O 3.31Å; I141-Q150 WeakPolarHBondContact CA-O 3.39Å; I141-L151 HydrophobicContact CG2-CB 4.36Å; I141-L151 HydrophobicContact CG2-CD1 3.5Å; I141-L151 VanDerWaalsContact CG2-CD1 3.5Å; I141-I220 HydrophobicContact CB-CG2 4.46Å; I141-I220 HydrophobicContact CD1-CG2 4.15Å; I141-I220 HydrophobicContact CG1-CG2 4.5Å; I141-F227 HydrophobicContact CD1-CD2 4.11Å; I141-F227 HydrophobicContact CD1-CE2 3.93Å; I141-F227 HydrophobicContact CG1-CD2 4.34Å; I141-F227 HydrophobicContact CG1-CE2 4.27Å
142	G	97.8	Very high	96.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	174.5	175	0	0	0	0	0	111.3	N75 Q150	N75-G142 VanDerWaalsContact O-CA 3.31Å; N75-G142 WeakPolarHBondContact O-CA 3.44Å; G142-Q150 PolarHBondContact N-O 3.17Å; G142-Q150 PolarHBondContact O-N 3.48Å
143	M	95.7	Very high	96.8	Very high	31 Å²	31	33.3 Å²	33.3	15%	0.153	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120.7	175.3	-164.1	61	51.2	0	0	108.9	G148 P149 I220 T221 T222 P225	M143-G148 VanDerWaalsContact SD-C 3.54Å; M143-P149 HydrophobicContact CE-CB 4.07Å; M143-P149 HydrophobicContact CE-CG 3.82Å; M143-P149 HydrophobicContact SD-CB 4.32Å; M143-P149 HydrophobicContact SD-CG 3.91Å; M143-P149 VanDerWaalsContact SD-N 3.41Å; M143-I220 HydrophobicContact CB-CD1 3.93Å; M143-I220 HydrophobicContact CB-CG1 4.35Å; M143-I220 HydrophobicContact CE-CG1 4.22Å; M143-I220 HydrophobicContact CE-CG2 4.26Å; M143-T221 WeakPolarHBondContact CE-O 3.28Å; M143-T222 HydrophobicContact CE-CG2 4.06Å; M143-T222 HydrophobicContact SD-CG2 3.65Å; M143-P225 HydrophobicContact CB-CB 4.02Å; M143-P225 HydrophobicContact CG-CB 4.12Å
144	D	93.8	Very high	96.8	Very high	30 Å²	30	33.2 Å²	33.2	16%	0.16	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	137.3	170.5	-172.8	-88.7	0	0	0	109.3	E146 L147 G148 Q150	D144-E146 VanDerWaalsContact C-N 3.31Å; D144-E146 PolarHBondContact O-N 3.19Å; D144-E146 PolarHBondContact OD1-N 2.8Å; D144-L147 HydrophobicContact CB-CB 4.14Å; D144-L147 WeakPolarHBondContact OD1-CB 3.34Å; D144-L147 PolarHBondContact OD1-N 3.04Å; D144-G148 WeakPolarHBondContact CB-O 3.41Å; D144-G148 PolarHBondContact N-O 2.83Å; D144-G148 VanDerWaalsContact O-CA 3.22Å; D144-G148 WeakPolarHBondContact O-CA 3.49Å; D144-G148 PolarHBondContact O-N 3.45Å; D144-Q150 HydrophobicContact CB-CG 3.7Å
145	E	89.4	Confident	96.8	Very high	198 Å²	198	33.1 Å²	33.1	93%	0.925	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-31.8	-174.7	-65	-177.1	178	0	0	112.6
146	E	92.3	Very high	96.7	Very high	181 Å²	181	33.1 Å²	33.1	85%	0.846	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-39.6	-177.3	-62.7	-175.9	-172.8	0	0	111.9	D144	D144-E146 VanDerWaalsContact C-N 3.31Å; D144-E146 PolarHBondContact O-N 3.19Å; D144-E146 PolarHBondContact OD1-N 2.8Å
147	L	94.1	Very high	96.7	Very high	121 Å²	121	34.8 Å²	34.8	63%	0.634	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-6.5	-171.7	-57.5	178.5	0	0	0	113.3	D144 Q150	D144-L147 HydrophobicContact CB-CB 4.14Å; D144-L147 WeakPolarHBondContact OD1-CB 3.34Å; D144-L147 PolarHBondContact OD1-N 3.04Å; L147-Q150 PolarHBondContact O-NE2 3.37Å
148	G	94.8	Very high	96.7	Very high	18 Å²	18	35.5 Å²	35.5	19%	0.186	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.7	-150.2	-176.5	0	0	0	0	0	112.6	M143 D144 Q150	M143-G148 VanDerWaalsContact SD-C 3.54Å; D144-G148 WeakPolarHBondContact CB-O 3.41Å; D144-G148 PolarHBondContact N-O 2.83Å; D144-G148 VanDerWaalsContact O-CA 3.22Å; D144-G148 WeakPolarHBondContact O-CA 3.49Å; D144-G148 PolarHBondContact O-N 3.45Å; G148-Q150 PolarHBondContact O-N 2.92Å; G148-Q150 PolarHBondContact O-NE2 2.97Å
149	P	97	Very high	96.6	Very high	7 Å²	7	42 Å²	42	5%	0.045	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	135.4	-175.7	-19.6	28.3	0	0	0	112	R43 C47 A48 M143 T222	R43-P149 WeakPolarHBondContact CD-O 3.36Å; R43-P149 HydrophobicContact CG-CB 4.08Å; C47-P149 WeakPolarHBondContact O-CB 3.36Å; A48-P149 HydrophobicContact CB-CB 4.09Å; M143-P149 HydrophobicContact CE-CB 4.07Å; M143-P149 HydrophobicContact CE-CG 3.82Å; M143-P149 HydrophobicContact SD-CB 4.32Å; M143-P149 HydrophobicContact SD-CG 3.91Å; M143-P149 VanDerWaalsContact SD-N 3.41Å; P149-T222 HydrophobicContact CG-CG2 4.3Å
150	Q	98.1	Very high	96.6	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.056	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.1	177	-60.4	-51.6	-47.5	0	0	111.1	V111 I141 G142 D144 L147 G148 Y152	V111-Q150 HydrophobicContact CB-CB 4.05Å; V111-Q150 HydrophobicContact CG1-CB 4.24Å; V111-Q150 HydrophobicContact CG2-CB 4.17Å; I141-Q150 VanDerWaalsContact CA-O 3.31Å; I141-Q150 WeakPolarHBondContact CA-O 3.39Å; G142-Q150 PolarHBondContact N-O 3.17Å; G142-Q150 PolarHBondContact O-N 3.48Å; D144-Q150 HydrophobicContact CB-CG 3.7Å; L147-Q150 PolarHBondContact O-NE2 3.37Å; G148-Q150 PolarHBondContact O-N 2.92Å; G148-Q150 PolarHBondContact O-NE2 2.97Å; Q150-Y152 HydrophobicContact CB-CD2 4.18Å; Q150-Y152 HydrophobicContact CB-CE2 4.07Å; Q150-Y152 HydrophobicContact CG-CE2 4.47Å
151	L	98.4	Very high	96.5	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	117.9	174.3	170.1	69.6	0	0	0	108.1	G41 R43 V139 V140 I141 G162 F163 T166	G41-L151 WeakPolarHBondContact O-CD2 3.41Å; R43-L151 HydrophobicContact CB-CB 4.16Å; V139-L151 HydrophobicContact CG1-CD1 3.49Å; V139-L151 VanDerWaalsContact CG1-CD1 3.49Å; V140-L151 WeakPolarHBondContact O-CA 3.39Å; I141-L151 HydrophobicContact CG2-CB 4.36Å; I141-L151 HydrophobicContact CG2-CD1 3.5Å; I141-L151 VanDerWaalsContact CG2-CD1 3.5Å; L151-G162 CarbonylContact O-C 3.56Å; L151-G162 WeakPolarHBondContact O-CA 3.41Å; L151-F163 HydrophobicContact CD2-CB 4.1Å; L151-F163 HydrophobicContact CG-CB 4.31Å; L151-F163 PolarHBondContact O-N 3.11Å; L151-T166 HydrophobicContact CD1-CG2 4.42Å; L151-T166 HydrophobicContact CD2-CG2 4.26Å; L151-T166 HydrophobicContact CG-CG2 4.45Å
152	Y	98.8	Very high	96.5	Very high	38 Å²	38	48.9 Å²	48.9	15%	0.149	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	154	179.4	-81.7	-96.8	0	0	0	110.7	V111 D112 C115 V139 V140 Q150 Y160 C161	V111-Y152 HydrophobicContact CB-CD2 4.42Å; V111-Y152 HydrophobicContact CG1-CD2 3.82Å; V111-Y152 HydrophobicContact CG1-CG 4.47Å; D112-Y152 HydrophobicContact CB-CE1 3.9Å; D112-Y152 HydrophobicContact CB-CE2 3.9Å; D112-Y152 VanDerWaalsContact CB-CZ 3.47Å; D112-Y152 WeakPolarHBondContact CB-OH 3.49Å; C115-Y152 HydrophobicContact CB-CD1 4.36Å; C115-Y152 HydrophobicContact CB-CG 4.38Å; C115-Y152 WeakPolarHBondContact SG-CB 3.36Å; V139-Y152 CarbonylContact C-O 3.54Å; V139-Y152 WeakPolarHBondContact CA-O 3.24Å; V140-Y152 PolarHBondContact N-O 2.79Å; V140-Y152 PolarHBondContact O-N 3Å; Q150-Y152 HydrophobicContact CB-CD2 4.18Å; Q150-Y152 HydrophobicContact CB-CE2 4.07Å; Q150-Y152 HydrophobicContact CG-CE2 4.47Å; Y152-Y160 AromaticContact CD1-CD2 3.94Å; Y152-Y160 HydrophobicContact CD1-CD2 3.94Å; Y152-Y160 HydrophobicContact CD1-CE2 4.35Å; Y152-Y160 HydrophobicContact CE1-CD2 4.25Å; Y152-Y160 HydrophobicContact CE1-CE2 4.22Å; Y152-C161 WeakPolarHBondContact CA-O 3.48Å; Y152-C161 VanDerWaalsContact CD1-C 3.42Å; Y152-C161 WeakPolarHBondContact CD1-O 3.4Å
153	K	98.5	Very high	96.5	Very high	24 Å²	24	51.6 Å²	51.6	10%	0.104	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	134.5	172.7	-176.7	172.1	75.9	-176.6	0	109.7	C137 M138 V139 Y160 C161 F163 T166 A167	C137-K153 VanDerWaalsContact SG-CG 3.6Å; M138-K153 CarbonylContact O-C 3.57Å; M138-K153 WeakPolarHBondContact O-CA 3.38Å; V139-K153 HydrophobicContact CG2-CB 4.21Å; V139-K153 HydrophobicContact CG2-CD 3.91Å; V139-K153 HydrophobicContact CG2-CG 3.83Å; K153-Y160 WeakPolarHBondContact O-CA 3.43Å; K153-C161 PolarHBondContact N-O 2.99Å; K153-C161 PolarHBondContact O-N 3.48Å; K153-C161 VanDerWaalsContact O-N 3.12Å; K153-F163 HydrophobicContact CB-CD2 4.02Å; K153-F163 HydrophobicContact CB-CE2 3.74Å; K153-T166 HydrophobicContact CB-CG2 4.32Å; K153-T166 HydrophobicContact CD-CG2 4.24Å; K153-T166 WeakPolarHBondContact CE-OG1 3.4Å; K153-T166 PolarHBondContact NZ-OG1 3.2Å; K153-A167 PolarHBondContact NZ-O 2.83Å
154	C	97.3	Very high	96.6	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.007	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.1	172.7	-178.3	0	0	0	0	109.7	A119 C137 M138 Y159	A119-C154 WeakPolarHBondContact CA-SG 3.19Å; C137-C154 PolarHBondContact SG-O 2.94Å; M138-C154 PolarHBondContact N-O 2.88Å; M138-C154 VanDerWaalsContact N-O 3.09Å; M138-C154 PolarHBondContact O-N 3.31Å; C154-Y159 WeakPolarHBondContact CA-O 3.36Å
155	D	97.1	Very high	96.8	Very high	24 Å²	24	54.8 Å²	54.8	13%	0.128	28%	0.282	C	S	.	.			trans	-112.9	169.4	-178.6	71.7	31.3	0	0	0	113.1	F29 A157 G158 Y159	F29-D155 HydrophobicContact CE1-CB 3.75Å; F29-D155 HydrophobicContact CZ-CB 3.83Å; D155-A157 PolarHBondContact O-N 3.2Å; D155-A157 VanDerWaalsContact O-N 3.14Å; D155-A157 WeakPolarHBondContact OD1-CA 3.39Å; D155-A157 VanDerWaalsContact OD1-CB 3.29Å; D155-A157 WeakPolarHBondContact OD1-CB 3.16Å; D155-A157 PolarHBondContact OD1-N 3.23Å; D155-G158 PolarHBondContact O-N 2.96Å; D155-G158 VanDerWaalsContact O-N 3.1Å; D155-G158 PolarHBondContact OD1-N 3.1Å; D155-Y159 PolarHBondContact N-O 3.12Å; D155-Y159 PolarHBondContact OD1-N 3.12Å; D155-Y159 VanDerWaalsContact OD1-N 3.17Å
156	P	97.5	Very high	97.2	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.013	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.1	-179.5	-26.9	36	0	0	0	115.4	A28 I32 T126 P133 L134 C136 G158	A28-P156 HydrophobicContact CB-CB 3.82Å; A28-P156 HydrophobicContact CB-CG 4.29Å; I32-P156 HydrophobicContact CD1-CG 3.75Å; I32-P156 HydrophobicContact CG1-CG 4.37Å; T126-P156 WeakPolarHBondContact CG2-O 3.48Å; P133-P156 HydrophobicContact CB-CB 4.34Å; L134-P156 VanDerWaalsContact O-CB 3.31Å; L134-P156 WeakPolarHBondContact O-CB 3.5Å; L134-P156 WeakPolarHBondContact O-CG 3.42Å; C136-P156 WeakPolarHBondContact O-CG 3.26Å; P156-G158 PolarHBondContact O-N 2.92Å
157	A	97.5	Very high	97.5	Very high	36 Å²	36	37 Å²	37	30%	0.298	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-4.5	178	0	0	0	0	0	112.2	V25 F29 D155 Y159	V25-A157 HydrophobicContact CG1-CB 3.63Å; F29-A157 HydrophobicContact CE2-CB 4.05Å; F29-A157 HydrophobicContact CZ-CB 4.26Å; D155-A157 PolarHBondContact O-N 3.2Å; D155-A157 VanDerWaalsContact O-N 3.14Å; D155-A157 WeakPolarHBondContact OD1-CA 3.39Å; D155-A157 VanDerWaalsContact OD1-CB 3.29Å; D155-A157 WeakPolarHBondContact OD1-CB 3.16Å; D155-A157 PolarHBondContact OD1-N 3.23Å; A157-Y159 VanDerWaalsContact C-N 3.3Å
158	G	96.9	Very high	97.7	Very high	18 Å²	18	31.2 Å²	31.2	19%	0.186	17%	0.169	C	C	.	.	S	Bend	trans	75.3	23	-171.6	0	0	0	0	0	112.3	A119 D155 P156	A119-G158 WeakPolarHBondContact CB-O 3.16Å; A119-G158 VanDerWaalsContact O-CA 3.28Å; A119-G158 WeakPolarHBondContact O-CA 3.46Å; D155-G158 PolarHBondContact O-N 2.96Å; D155-G158 VanDerWaalsContact O-N 3.1Å; D155-G158 PolarHBondContact OD1-N 3.1Å; P156-G158 PolarHBondContact O-N 2.92Å
159	Y	97.5	Very high	97.8	Very high	138 Å²	138	30.5 Å²	30.5	54%	0.541	16%	0.162	S	C	.	.			trans	-94.1	137.9	169.1	-178.7	-105.3	0	0	0	109.9	C154 D155 A157 C161	C154-Y159 WeakPolarHBondContact CA-O 3.36Å; D155-Y159 PolarHBondContact N-O 3.12Å; D155-Y159 PolarHBondContact OD1-N 3.12Å; D155-Y159 VanDerWaalsContact OD1-N 3.17Å; A157-Y159 VanDerWaalsContact C-N 3.3Å; Y159-C161 HydrophobicContact CE1-CB 3.82Å
160	Y	98	Very high	97.8	Very high	68 Å²	68	33.3 Å²	33.3	27%	0.267	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	149.5	171	80.3	-70.5	0	0	0	110.9	C115 K116 A119 Y152 K153	C115-Y160 HydrophobicContact CB-CD2 3.77Å; C115-Y160 HydrophobicContact CB-CG 4.35Å; K116-Y160 HydrophobicContact CB-CD1 4.43Å; K116-Y160 HydrophobicContact CB-CE1 3.75Å; K116-Y160 HydrophobicContact CB-CE2 3.88Å; K116-Y160 VanDerWaalsContact CB-CZ 3.43Å; K116-Y160 WeakPolarHBondContact CB-OH 3.47Å; K116-Y160 HydrophobicContact CG-CE1 3.73Å; K116-Y160 WeakPolarHBondContact CG-OH 3.46Å; A119-Y160 HydrophobicContact CB-CD1 3.68Å; A119-Y160 HydrophobicContact CB-CG 4.11Å; Y152-Y160 AromaticContact CD1-CD2 3.94Å; Y152-Y160 HydrophobicContact CD1-CD2 3.94Å; Y152-Y160 HydrophobicContact CD1-CE2 4.35Å; Y152-Y160 HydrophobicContact CE1-CD2 4.25Å; Y152-Y160 HydrophobicContact CE1-CE2 4.22Å; K153-Y160 WeakPolarHBondContact O-CA 3.43Å
161	C	98.1	Very high	97.8	Very high	43 Å²	43	36 Å²	36	29%	0.291	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	154.5	176.6	-166.1	0	0	0	0	111	Y152 K153 Y159 F163	Y152-C161 WeakPolarHBondContact CA-O 3.48Å; Y152-C161 VanDerWaalsContact CD1-C 3.42Å; Y152-C161 WeakPolarHBondContact CD1-O 3.4Å; K153-C161 PolarHBondContact N-O 2.99Å; K153-C161 PolarHBondContact O-N 3.48Å; K153-C161 VanDerWaalsContact O-N 3.12Å; Y159-C161 HydrophobicContact CE1-CB 3.82Å; C161-F163 HydrophobicContact CB-CE2 3.72Å; C161-F163 HydrophobicContact CB-CZ 3.96Å; C161-F163 WeakPolarHBondContact O-CD2 3.5Å; C161-F163 WeakPolarHBondContact O-CE2 3.23Å
162	G	98	Very high	97.8	Very high	35 Å²	35	39.3 Å²	39.3	36%	0.361	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	141.4	172.6	0	0	0	0	0	111.1	L151	L151-G162 CarbonylContact O-C 3.56Å; L151-G162 WeakPolarHBondContact O-CA 3.41Å
163	F	98.1	Very high	97.7	Very high	58 Å²	58	43 Å²	43	25%	0.254	23%	0.232	S	C	.	.			trans	-130.5	149.6	-174.5	-68.5	-90.9	0	0	0	112.1	L151 K153 C161 T166	L151-F163 HydrophobicContact CD2-CB 4.1Å; L151-F163 HydrophobicContact CG-CB 4.31Å; L151-F163 PolarHBondContact O-N 3.11Å; K153-F163 HydrophobicContact CB-CD2 4.02Å; K153-F163 HydrophobicContact CB-CE2 3.74Å; C161-F163 HydrophobicContact CB-CE2 3.72Å; C161-F163 HydrophobicContact CB-CZ 3.96Å; C161-F163 WeakPolarHBondContact O-CD2 3.5Å; C161-F163 WeakPolarHBondContact O-CE2 3.23Å; F163-T166 HydrophobicContact CB-CG2 4.37Å; F163-T166 HydrophobicContact CD2-CG2 4.41Å; F163-T166 HydrophobicContact CG-CG2 4.34Å
164	K	96.9	Very high	97.7	Very high	109 Å²	109	45.9 Å²	45.9	47%	0.474	25%	0.246	S	C	.	.	S	Bend	trans	-76.9	-41.8	163.5	-73.9	163.7	163.7	-171.3	0	110.9	R43 L187	R43-K164 WeakPolarHBondContact CB-O 3.38Å; R43-K164 PolarHBondContact N-O 3.28Å; K164-L187 HydrophobicContact CB-CD1 4.17Å; K164-L187 HydrophobicContact CD-CD1 3.53Å; K164-L187 HydrophobicContact CD-CD2 4.29Å; K164-L187 HydrophobicContact CG-CD1 3.99Å
165	A	97.8	Very high	97.7	Very high	19 Å²	19	45.9 Å²	45.9	16%	0.157	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	147.8	170.5	0	0	0	0	0	108	G41 I42 L179 V183	G41-A165 CarbonylContact O-C 3.57Å; G41-A165 VanDerWaalsContact O-CA 3.24Å; G41-A165 WeakPolarHBondContact O-CA 3.21Å; I42-A165 HydrophobicContact CG1-CB 4.11Å; I42-A165 HydrophobicContact CG2-CB 4.39Å; A165-L179 HydrophobicContact CB-CB 4.2Å; A165-L179 HydrophobicContact CB-CD1 4.04Å; A165-L179 HydrophobicContact CB-CD2 4.11Å; A165-L179 HydrophobicContact CB-CG 4.34Å; A165-V183 HydrophobicContact CB-CG2 4.19Å
166	T	98.4	Very high	97.8	Very high	5 Å²	5	47 Å²	47	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	163.3	-179.8	-157.9	0	0	0	0	110.1	G41 V139 L151 K153 F163	G41-T166 PolarHBondContact N-O 3.1Å; G41-T166 PolarHBondContact O-N 3.2Å; G41-T166 VanDerWaalsContact O-O 3.14Å; V139-T166 HydrophobicContact CG1-CG2 4.09Å; V139-T166 HydrophobicContact CG2-CG2 4.28Å; L151-T166 HydrophobicContact CD1-CG2 4.42Å; L151-T166 HydrophobicContact CD2-CG2 4.26Å; L151-T166 HydrophobicContact CG-CG2 4.45Å; K153-T166 HydrophobicContact CB-CG2 4.32Å; K153-T166 HydrophobicContact CD-CG2 4.24Å; K153-T166 WeakPolarHBondContact CE-OG1 3.4Å; K153-T166 PolarHBondContact NZ-OG1 3.2Å; F163-T166 HydrophobicContact CB-CG2 4.37Å; F163-T166 HydrophobicContact CD2-CG2 4.41Å; F163-T166 HydrophobicContact CG-CG2 4.34Å
167	A	98.4	Very high	97.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	161	171.8	0	0	0	0	0	110.3	S39 V40 K153 Q172 A175	S39-A167 CarbonylContact O-C 3.6Å; S39-A167 VanDerWaalsContact O-CA 3.23Å; S39-A167 WeakPolarHBondContact O-CA 3.49Å; S39-A167 WeakPolarHBondContact O-CB 3.34Å; V40-A167 HydrophobicContact CG2-CB 4.33Å; K153-A167 PolarHBondContact NZ-O 2.83Å; A167-Q172 HydrophobicContact CB-CG 4.38Å; A167-Q172 VanDerWaalsContact O-CD 3.31Å; A167-Q172 WeakPolarHBondContact O-CG 3.38Å; A167-Q172 PolarHBondContact O-OE1 3.3Å; A167-A175 HydrophobicContact CB-CB 3.55Å
168	A	98.1	Very high	97.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	150.4	173.3	0	0	0	0	0	110.3	T38 S39 T81 C137 V139	T38-A168 WeakPolarHBondContact CA-O 3.32Å; S39-A168 PolarHBondContact N-O 2.73Å; S39-A168 PolarHBondContact O-N 3.12Å; T81-A168 HydrophobicContact CG2-CB 4.36Å; C137-A168 HydrophobicContact CB-CB 4.25Å; V139-A168 HydrophobicContact CG2-CB 4.35Å
169	G	97.2	Very high	97.9	Very high	3 Å²	3	47.6 Å²	47.6	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	101.2	-161.2	177.4	0	0	0	0	0	114.4	N33 M37 K171 Q172	N33-G169 PolarHBondContact OD1-O 3.05Å; M37-G169 VanDerWaalsContact O-CA 3.32Å; M37-G169 WeakPolarHBondContact O-CA 3.48Å; G169-K171 VanDerWaalsContact C-N 3.31Å; G169-K171 PolarHBondContact O-N 3.16Å; G169-Q172 VanDerWaalsContact O-CB 3.28Å; G169-Q172 WeakPolarHBondContact O-CB 3.5Å; G169-Q172 PolarHBondContact O-N 3.17Å; G169-Q172 VanDerWaalsContact O-N 3.12Å
170	V	97.4	Very high	97.8	Very high	65 Å²	65	46 Å²	46	39%	0.394	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-40.4	-164.3	-179	0	0	0	0	113	N33 M37	N33-V170 HydrophobicContact CB-CG2 4.17Å; N33-V170 WeakPolarHBondContact O-CG2 3.48Å; N33-V170 PolarHBondContact OD1-N 3.42Å; M37-V170 PolarHBondContact O-N 2.69Å; M37-V170 VanDerWaalsContact O-N 3.1Å
171	K	98.1	Very high	97.7	Very high	69 Å²	69	50.2 Å²	50.2	30%	0.3	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	26	-177.2	-65.4	-67.4	-174.4	169.3	0	113.4	T38 G169 T173 E174 A175 V205 L206	T38-K171 HydrophobicContact CG2-CB 4Å; T38-K171 WeakPolarHBondContact OG1-CB 3.36Å; T38-K171 PolarHBondContact OG1-N 3.05Å; T38-K171 VanDerWaalsContact OG1-N 3.12Å; G169-K171 VanDerWaalsContact C-N 3.31Å; G169-K171 PolarHBondContact O-N 3.16Å; K171-T173 VanDerWaalsContact C-N 3.29Å; K171-T173 PolarHBondContact O-N 3.39Å; K171-E174 HydrophobicContact CD-CG 4.48Å; K171-E174 WeakPolarHBondContact CD-OE1 3.39Å; K171-E174 IonicContact NZ-OE1 2.98Å; K171-E174 PolarHBondContact NZ-OE1 2.77Å; K171-E174 PolarHBondContact O-N 3.48Å; K171-A175 VanDerWaalsContact O-CB 3.26Å; K171-A175 WeakPolarHBondContact O-CB 3.33Å; K171-A175 PolarHBondContact O-N 3.11Å; K171-V205 HydrophobicContact CB-CB 4.39Å; K171-V205 HydrophobicContact CB-CG2 4.08Å; K171-L206 HydrophobicContact CG-CD2 3.87Å
172	Q	97.6	Very high	97.5	Very high	71 Å²	71	52.5 Å²	52.5	33%	0.332	27%	0.274	S	S	.	.	H	α-helix	trans	-56.5	-41.7	-179.1	173.9	177	-37.7	0	0	112.5	A167 G169 T176	A167-Q172 HydrophobicContact CB-CG 4.38Å; A167-Q172 VanDerWaalsContact O-CD 3.31Å; A167-Q172 WeakPolarHBondContact O-CG 3.38Å; A167-Q172 PolarHBondContact O-OE1 3.3Å; G169-Q172 VanDerWaalsContact O-CB 3.28Å; G169-Q172 WeakPolarHBondContact O-CB 3.5Å; G169-Q172 PolarHBondContact O-N 3.17Å; G169-Q172 VanDerWaalsContact O-N 3.12Å; Q172-T176 WeakPolarHBondContact O-CB 3.48Å; Q172-T176 PolarHBondContact O-N 3.15Å; Q172-T176 PolarHBondContact O-OG1 2.75Å
173	T	97.7	Very high	97.2	Very high	116 Å²	116	52.4 Å²	52.4	71%	0.712	27%	0.267	S	S	*	.	H	α-helix	trans	-65.8	-48.6	-176.5	-54.1	0	0	0	0	111.1	K171 T176 G177	K171-T173 VanDerWaalsContact C-N 3.29Å; K171-T173 PolarHBondContact O-N 3.39Å; T173-T176 PolarHBondContact O-N 3.37Å; T173-G177 PolarHBondContact O-N 3.32Å; T173-G177 VanDerWaalsContact O-N 3.08Å
174	E	98.4	Very high	96.9	Very high	84 Å²	84	58.1 Å²	58.1	39%	0.393	29%	0.292	S	S	.	.	H	α-helix	trans	-64.7	-42.1	178.1	-60.6	95.3	137.5	0	0	111.5	K171 G177 F178 V205	K171-E174 HydrophobicContact CD-CG 4.48Å; K171-E174 WeakPolarHBondContact CD-OE1 3.39Å; K171-E174 IonicContact NZ-OE1 2.98Å; K171-E174 PolarHBondContact NZ-OE1 2.77Å; K171-E174 PolarHBondContact O-N 3.48Å; E174-G177 PolarHBondContact O-N 3.01Å; E174-F178 PolarHBondContact O-N 2.85Å; E174-V205 HydrophobicContact CB-CB 4.22Å; E174-V205 HydrophobicContact CB-CG1 3.98Å
175	A	98.3	Very high	96.5	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-62.7	-42.8	176.3	0	0	0	0	0	111.8	V40 A167 K171 G177 F178 L179 V205	V40-A175 HydrophobicContact CG2-CB 4.47Å; A167-A175 HydrophobicContact CB-CB 3.55Å; K171-A175 VanDerWaalsContact O-CB 3.26Å; K171-A175 WeakPolarHBondContact O-CB 3.33Å; K171-A175 PolarHBondContact O-N 3.11Å; A175-G177 VanDerWaalsContact C-N 3.34Å; A175-G177 PolarHBondContact O-N 3.38Å; A175-F178 PolarHBondContact O-N 3.29Å; A175-L179 WeakPolarHBondContact O-CB 3.42Å; A175-L179 WeakPolarHBondContact O-CG 3.28Å; A175-L179 PolarHBondContact O-N 3.46Å; A175-V205 HydrophobicContact CB-CG1 4.3Å
176	T	98	Very high	95.9	Very high	47 Å²	47	65.3 Å²	65.3	29%	0.288	32%	0.319	S	S	.	.	H	α-helix	trans	-60	-45.8	175.7	-55.5	0	0	0	0	110.6	Q172 T173 F178 L179 E180	Q172-T176 WeakPolarHBondContact O-CB 3.48Å; Q172-T176 PolarHBondContact O-N 3.15Å; Q172-T176 PolarHBondContact O-OG1 2.75Å; T173-T176 PolarHBondContact O-N 3.37Å; T176-F178 VanDerWaalsContact C-N 3.34Å; T176-F178 PolarHBondContact O-N 3.48Å; T176-L179 PolarHBondContact O-N 2.88Å; T176-E180 HydrophobicContact CG2-CG 4.4Å; T176-E180 WeakPolarHBondContact O-CB 3.32Å; T176-E180 WeakPolarHBondContact O-CG 3.35Å; T176-E180 PolarHBondContact O-N 3.46Å
177	G	98.1	Very high	94.7	Very high	28 Å²	28	67.6 Å²	67.6	29%	0.289	33%	0.331	S	S	.	.	H	α-helix	trans	-63.3	-34.6	177.1	0	0	0	0	0	114.2	T173 E174 A175 K181	T173-G177 PolarHBondContact O-N 3.32Å; T173-G177 VanDerWaalsContact O-N 3.08Å; E174-G177 PolarHBondContact O-N 3.01Å; A175-G177 VanDerWaalsContact C-N 3.34Å; A175-G177 PolarHBondContact O-N 3.38Å; G177-K181 WeakPolarHBondContact O-CG 3.49Å
178	F	97.9	Very high	94	Very high	36 Å²	36	72.6 Å²	72.6	16%	0.158	36%	0.358	C	S	.	.	H	α-helix	trans	-66.4	-50.1	172.5	179.4	-83.2	0	0	0	111.3	E174 A175 T176 E180 K181 K182 C201 T204	E174-F178 PolarHBondContact O-N 2.85Å; A175-F178 PolarHBondContact O-N 3.29Å; T176-F178 VanDerWaalsContact C-N 3.34Å; T176-F178 PolarHBondContact O-N 3.48Å; F178-E180 PolarHBondContact O-N 3.04Å; F178-K181 PolarHBondContact O-N 3.04Å; F178-K182 HydrophobicContact CD1-CG 4.12Å; F178-K182 HydrophobicContact CE1-CD 4.43Å; F178-K182 HydrophobicContact CE1-CG 3.72Å; F178-K182 HydrophobicContact CZ-CD 4.49Å; F178-K182 HydrophobicContact CZ-CG 4.19Å; F178-K182 PolarHBondContact O-N 3.36Å; F178-C201 HydrophobicContact CD1-CB 3.52Å; F178-C201 VanDerWaalsContact CD1-SG 3.53Å; F178-C201 VanDerWaalsContact CE1-CA 3.44Å; F178-C201 HydrophobicContact CE1-CB 3.53Å; F178-C201 HydrophobicContact CG-CB 4.38Å; F178-C201 HydrophobicContact CZ-CB 4.38Å; F178-T204 HydrophobicContact CD2-CG2 4.01Å; F178-T204 HydrophobicContact CE2-CG2 4.01Å
179	L	97.3	Very high	93.7	Very high	5 Å²	5	73.2 Å²	73.2	3%	0.026	36%	0.36	C	S	.	.	H	α-helix	trans	-62.9	-44	-177.1	-68.5	166.5	0	0	0	111.2	V40 I42 A165 A175 T176 K181 K182 V183 C201	V40-L179 HydrophobicContact CG1-CD1 4.11Å; V40-L179 HydrophobicContact CG1-CD2 4.36Å; I42-L179 HydrophobicContact CD1-CD2 3.57Å; I42-L179 HydrophobicContact CG1-CD2 4.05Å; A165-L179 HydrophobicContact CB-CB 4.2Å; A165-L179 HydrophobicContact CB-CD1 4.04Å; A165-L179 HydrophobicContact CB-CD2 4.11Å; A165-L179 HydrophobicContact CB-CG 4.34Å; A175-L179 WeakPolarHBondContact O-CB 3.42Å; A175-L179 WeakPolarHBondContact O-CG 3.28Å; A175-L179 PolarHBondContact O-N 3.46Å; T176-L179 PolarHBondContact O-N 2.88Å; L179-K181 VanDerWaalsContact C-N 3.27Å; L179-K181 PolarHBondContact O-N 3.12Å; L179-K182 PolarHBondContact O-N 3.04Å; L179-K182 VanDerWaalsContact O-N 3.08Å; L179-V183 VanDerWaalsContact O-CB 3.28Å; L179-V183 WeakPolarHBondContact O-CB 3.49Å; L179-V183 WeakPolarHBondContact O-CG2 3.39Å; L179-V183 PolarHBondContact O-N 3.04Å; L179-C201 HydrophobicContact CD2-CB 4.2Å
180	E	96.3	Very high	93.6	Very high	106 Å²	106	76 Å²	76	50%	0.495	38%	0.377	S	S	.	.	H	α-helix	trans	-55.4	-41.6	176.8	-77.3	179.4	-179.4	0	0	112.6	T176 F178 K184	T176-E180 HydrophobicContact CG2-CG 4.4Å; T176-E180 WeakPolarHBondContact O-CB 3.32Å; T176-E180 WeakPolarHBondContact O-CG 3.35Å; T176-E180 PolarHBondContact O-N 3.46Å; F178-E180 PolarHBondContact O-N 3.04Å; E180-K184 WeakPolarHBondContact O-CB 3.47Å; E180-K184 VanDerWaalsContact O-CG 3.23Å; E180-K184 WeakPolarHBondContact O-CG 3.38Å; E180-K184 PolarHBondContact O-N 2.84Å
181	K	96.1	Very high	93.5	Very high	156 Å²	156	75.5 Å²	75.5	68%	0.678	37%	0.369	S	S	*	.	H	α-helix	trans	-67	-38	177.9	-69.4	174.1	-175.3	176.1	0	112.1	G177 F178 L179	G177-K181 WeakPolarHBondContact O-CG 3.49Å; F178-K181 PolarHBondContact O-N 3.04Å; L179-K181 VanDerWaalsContact C-N 3.27Å; L179-K181 PolarHBondContact O-N 3.12Å
182	K	94.3	Very high	93.4	Very high	90 Å²	90	76.3 Å²	76.3	39%	0.391	37%	0.374	S	S	.	.	H	α-helix	trans	-72.8	-48.9	178.5	-70.3	-76.8	-172	165.4	0	111.3	F178 L179 K184 K185 K186 W189 T197	F178-K182 HydrophobicContact CD1-CG 4.12Å; F178-K182 HydrophobicContact CE1-CD 4.43Å; F178-K182 HydrophobicContact CE1-CG 3.72Å; F178-K182 HydrophobicContact CZ-CD 4.49Å; F178-K182 HydrophobicContact CZ-CG 4.19Å; F178-K182 PolarHBondContact O-N 3.36Å; L179-K182 PolarHBondContact O-N 3.04Å; L179-K182 VanDerWaalsContact O-N 3.08Å; K182-K184 VanDerWaalsContact C-N 3.32Å; K182-K184 PolarHBondContact O-N 2.95Å; K182-K185 WeakPolarHBondContact O-CB 3.28Å; K182-K185 PolarHBondContact O-N 3.32Å; K182-K186 PolarHBondContact O-N 2.7Å; K182-W189 HydrophobicContact CB-CH2 4.08Å; K182-W189 HydrophobicContact CB-CZ2 3.93Å; K182-T197 HydrophobicContact CB-CG2 4.39Å; K182-T197 HydrophobicContact CG-CG2 4.4Å
183	V	92.1	Very high	93.3	Very high	33 Å²	33	75.8 Å²	75.8	20%	0.2	37%	0.372	C	S	.	.	H	α-helix	trans	-59.1	-39.4	179.1	168.4	0	0	0	0	111.6	A165 L179 K185 K186 L187 W189	A165-V183 HydrophobicContact CB-CG2 4.19Å; L179-V183 VanDerWaalsContact O-CB 3.28Å; L179-V183 WeakPolarHBondContact O-CB 3.49Å; L179-V183 WeakPolarHBondContact O-CG2 3.39Å; L179-V183 PolarHBondContact O-N 3.04Å; V183-K185 PolarHBondContact O-N 3.12Å; V183-K186 CarbonylContact O-C 3.6Å; V183-K186 PolarHBondContact O-N 3.03Å; V183-L187 HydrophobicContact CG1-CD1 3.53Å; V183-W189 HydrophobicContact CB-CH2 4.5Å; V183-W189 HydrophobicContact CG2-CH2 3.61Å; V183-W189 HydrophobicContact CG2-CZ2 4.46Å; V183-W189 HydrophobicContact CG2-CZ3 4.17Å
184	K	90.9	Very high	93.2	Very high	178 Å²	178	70.2 Å²	70.2	77%	0.774	34%	0.338	S	S	*	.	H	α-helix	trans	-61.7	-30.3	175.8	-81.6	175.9	-177.8	175.6	0	113.5	E180 K182	E180-K184 WeakPolarHBondContact O-CB 3.47Å; E180-K184 VanDerWaalsContact O-CG 3.23Å; E180-K184 WeakPolarHBondContact O-CG 3.38Å; E180-K184 PolarHBondContact O-N 2.84Å; K182-K184 VanDerWaalsContact C-N 3.32Å; K182-K184 PolarHBondContact O-N 2.95Å
185	K	88.8	Confident	93.2	Very high	187 Å²	187	66.2 Å²	66.2	81%	0.813	32%	0.319	S	S	*	.	H	α-helix	trans	-81.7	-40.2	-179.9	-68.3	-180	178.5	-172.7	0	112	K182 V183	K182-K185 WeakPolarHBondContact O-CB 3.28Å; K182-K185 PolarHBondContact O-N 3.32Å; V183-K185 PolarHBondContact O-N 3.12Å
186	K	83.7	Confident	93	Very high	93 Å²	93	67 Å²	67	40%	0.404	32%	0.322	S	S	.	.			trans	-158.1	135.3	-177.8	-174.4	178.6	179.1	-171.2	0	109.4	K182 V183 D188 W189	K182-K186 PolarHBondContact O-N 2.7Å; V183-K186 CarbonylContact O-C 3.6Å; V183-K186 PolarHBondContact O-N 3.03Å; K186-D188 WeakPolarHBondContact CE-O 3.42Å; K186-W189 VanDerWaalsContact O-CE2 3.22Å; K186-W189 WeakPolarHBondContact O-CZ2 3.48Å; K186-W189 PolarHBondContact O-NE1 2.7Å
187	L	74.7	Confident	93	Very high	52 Å²	52	65.6 Å²	65.6	27%	0.272	31%	0.314	S	S	.	.			trans	-105.8	-41.5	175.8	-160.9	89.6	0	0	0	112.6	K164 V183 W189	K164-L187 HydrophobicContact CB-CD1 4.17Å; K164-L187 HydrophobicContact CD-CD1 3.53Å; K164-L187 HydrophobicContact CD-CD2 4.29Å; K164-L187 HydrophobicContact CG-CD1 3.99Å; V183-L187 HydrophobicContact CG1-CD1 3.53Å; L187-W189 PolarHBondContact O-N 2.8Å
188	D	83.9	Confident	92.9	Very high	105 Å²	105	64.2 Å²	64.2	56%	0.561	30%	0.3	S	S	*	.			trans	-81.5	71.2	-170.9	-55.9	-32.3	0	0	0	110.4	K45 K186	K45-D188 HydrophobicContact CB-CB 4.46Å; K186-D188 WeakPolarHBondContact CE-O 3.42Å
189	W	91.6	Very high	92.9	Very high	14 Å²	14	62.7 Å²	62.7	5%	0.053	29%	0.293	C	S	.	.			trans	-76.4	139.9	177.2	-64.5	-38.9	0	0	0	110.9	I42 K45 K182 V183 K186 L187 Q193 T194 T197	I42-W189 HydrophobicContact CD1-CZ3 4.27Å; I42-W189 HydrophobicContact CG2-CE3 3.56Å; I42-W189 HydrophobicContact CG2-CZ3 3.37Å; K45-W189 PolarHBondContact N-O 3.32Å; K45-W189 VanDerWaalsContact N-O 3.09Å; K182-W189 HydrophobicContact CB-CH2 4.08Å; K182-W189 HydrophobicContact CB-CZ2 3.93Å; V183-W189 HydrophobicContact CB-CH2 4.5Å; V183-W189 HydrophobicContact CG2-CH2 3.61Å; V183-W189 HydrophobicContact CG2-CZ2 4.46Å; V183-W189 HydrophobicContact CG2-CZ3 4.17Å; K186-W189 VanDerWaalsContact O-CE2 3.22Å; K186-W189 WeakPolarHBondContact O-CZ2 3.48Å; K186-W189 PolarHBondContact O-NE1 2.7Å; L187-W189 PolarHBondContact O-N 2.8Å; W189-Q193 HydrophobicContact CB-CB 3.95Å; W189-Q193 HydrophobicContact CG-CB 4.33Å; W189-T194 VanDerWaalsContact CB-OG1 3.31Å; W189-T194 WeakPolarHBondContact CB-OG1 3.18Å; W189-T197 HydrophobicContact CH2-CG2 3.91Å; W189-T197 HydrophobicContact CZ2-CG2 4.21Å; W189-T197 HydrophobicContact CZ3-CG2 4.19Å
190	T	95.3	Very high	92.9	Very high	61 Å²	61	63.5 Å²	63.5	37%	0.374	30%	0.3	S	S	.	.			trans	-67	170.9	166.4	72.7	0	0	0	0	109.7	E192 Q193 T194	T190-E192 VanDerWaalsContact C-N 3.34Å; T190-E192 PolarHBondContact O-N 2.91Å; T190-E192 PolarHBondContact OG1-OE2 3.44Å; T190-Q193 PolarHBondContact O-N 3.38Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.48Å; T190-Q193 PolarHBondContact OG1-N 3.48Å; T190-T194 WeakPolarHBondContact O-CB 3.34Å; T190-T194 PolarHBondContact O-N 2.9Å; T190-T194 PolarHBondContact O-OG1 2.89Å
191	F	95.3	Very high	93	Very high	54 Å²	54	58.5 Å²	58.5	24%	0.237	28%	0.276	C	S	.	.	H	α-helix	trans	-54.6	-50.1	178	177.4	-115.5	0	0	0	112.3	C47 T194 I195 V219 T221 Y238	C47-F191 HydrophobicContact CB-CD2 3.73Å; C47-F191 HydrophobicContact CB-CE2 4.4Å; F191-T194 WeakPolarHBondContact O-CB 3.46Å; F191-T194 PolarHBondContact O-N 3.08Å; F191-I195 HydrophobicContact CD1-CD1 4.28Å; F191-I195 HydrophobicContact CD2-CD1 4.3Å; F191-I195 HydrophobicContact CE1-CD1 3.76Å; F191-I195 HydrophobicContact CE2-CD1 3.78Å; F191-I195 HydrophobicContact CZ-CD1 3.49Å; F191-I195 VanDerWaalsContact CZ-CD1 3.49Å; F191-I195 PolarHBondContact O-N 3.23Å; F191-V219 HydrophobicContact CE2-CB 4.08Å; F191-V219 HydrophobicContact CE2-CG1 4.17Å; F191-V219 HydrophobicContact CE2-CG2 4.37Å; F191-V219 HydrophobicContact CZ-CB 4.45Å; F191-V219 HydrophobicContact CZ-CG1 4.37Å; F191-V219 HydrophobicContact CZ-CG2 4.34Å; F191-T221 HydrophobicContact CD2-CG2 3.81Å; F191-T221 HydrophobicContact CE2-CG2 3.59Å; F191-T221 HydrophobicContact CZ-CG2 4.31Å; F191-Y238 WeakPolarHBondContact CE1-OH 3.49Å
192	E	95.2	Very high	93	Very high	86 Å²	86	51 Å²	51	40%	0.402	24%	0.244	S	C	.	.	H	α-helix	trans	-63.8	-47.9	-179.3	-55.2	72.3	-156.2	0	0	110.7	T190 T194 I195 E196 Y238	T190-E192 VanDerWaalsContact C-N 3.34Å; T190-E192 PolarHBondContact O-N 2.91Å; T190-E192 PolarHBondContact OG1-OE2 3.44Å; E192-T194 PolarHBondContact O-N 3.26Å; E192-I195 PolarHBondContact O-N 3.27Å; E192-E196 VanDerWaalsContact O-CB 3.31Å; E192-E196 WeakPolarHBondContact O-CB 3.48Å; E192-E196 WeakPolarHBondContact O-CG 3.28Å; E192-E196 PolarHBondContact O-N 3.28Å; E192-Y238 HydrophobicContact CB-CE1 4.3Å; E192-Y238 HydrophobicContact CG-CE1 4.25Å
193	Q	95.1	Very high	93.1	Very high	60 Å²	60	48 Å²	48	28%	0.28	23%	0.233	S	C	.	.	H	α-helix	trans	-60.8	-32.3	178.9	-71.8	176.8	-8.3	0	0	112.4	W189 T190 T197	W189-Q193 HydrophobicContact CB-CB 3.95Å; W189-Q193 HydrophobicContact CG-CB 4.33Å; T190-Q193 PolarHBondContact O-N 3.38Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.48Å; T190-Q193 PolarHBondContact OG1-N 3.48Å; Q193-T197 WeakPolarHBondContact O-CB 3.23Å; Q193-T197 PolarHBondContact O-N 3.39Å; Q193-T197 PolarHBondContact O-OG1 3.11Å
194	T	96.8	Very high	93.4	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-69.4	-47.3	178.5	-55.5	0	0	0	0	110.7	I42 V49 W189 T190 F191 E192 A198	I42-T194 HydrophobicContact CB-CG2 3.97Å; I42-T194 HydrophobicContact CG2-CG2 3.71Å; V49-T194 HydrophobicContact CB-CG2 4.09Å; V49-T194 HydrophobicContact CG2-CG2 3.68Å; W189-T194 VanDerWaalsContact CB-OG1 3.31Å; W189-T194 WeakPolarHBondContact CB-OG1 3.18Å; T190-T194 WeakPolarHBondContact O-CB 3.34Å; T190-T194 PolarHBondContact O-N 2.9Å; T190-T194 PolarHBondContact O-OG1 2.89Å; F191-T194 WeakPolarHBondContact O-CB 3.46Å; F191-T194 PolarHBondContact O-N 3.08Å; E192-T194 PolarHBondContact O-N 3.26Å; T194-A198 WeakPolarHBondContact O-CB 3.32Å; T194-A198 PolarHBondContact O-N 3.43Å; T194-A198 VanDerWaalsContact O-N 3.08Å
195	I	97.1	Very high	93.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.5	-51	176.7	-64.8	171.5	0	0	0	110.5	V49 F191 E192 T197 A198 I199 V217 V219 L230 Y238	V49-I195 HydrophobicContact CG1-CG1 4.08Å; V49-I195 HydrophobicContact CG2-CG1 3.79Å; F191-I195 HydrophobicContact CD1-CD1 4.28Å; F191-I195 HydrophobicContact CD2-CD1 4.3Å; F191-I195 HydrophobicContact CE1-CD1 3.76Å; F191-I195 HydrophobicContact CE2-CD1 3.78Å; F191-I195 HydrophobicContact CZ-CD1 3.49Å; F191-I195 VanDerWaalsContact CZ-CD1 3.49Å; F191-I195 PolarHBondContact O-N 3.23Å; E192-I195 PolarHBondContact O-N 3.27Å; I195-T197 VanDerWaalsContact C-N 3.31Å; I195-T197 PolarHBondContact O-N 3.21Å; I195-A198 WeakPolarHBondContact O-CB 3.16Å; I195-A198 PolarHBondContact O-N 3.25Å; I195-A198 VanDerWaalsContact O-N 3.09Å; I195-I199 HydrophobicContact CG2-CD1 3.75Å; I195-I199 HydrophobicContact CG2-CG1 4.37Å; I195-I199 WeakPolarHBondContact O-CG1 3.14Å; I195-I199 PolarHBondContact O-N 3.08Å; I195-V217 HydrophobicContact CG2-CG1 4.43Å; I195-V219 HydrophobicContact CD1-CG1 4.14Å; I195-V219 HydrophobicContact CG1-CG1 4.4Å; I195-L230 HydrophobicContact CD1-CD1 4.22Å; I195-Y238 HydrophobicContact CD1-CD2 4.46Å; I195-Y238 HydrophobicContact CD1-CE1 4.14Å; I195-Y238 HydrophobicContact CD1-CE2 3.81Å; I195-Y238 HydrophobicContact CG2-CD1 4.18Å; I195-Y238 HydrophobicContact CG2-CD2 4.01Å; I195-Y238 HydrophobicContact CG2-CE2 4.4Å; I195-Y238 HydrophobicContact CG2-CG 3.91Å
196	E	95.6	Very high	94.1	Very high	15 Å²	15	35.3 Å²	35.3	7%	0.07	19%	0.185	C	C	.	.	H	α-helix	trans	-55.2	-47.1	178.6	-74.6	171.7	-174.8	0	0	111	E192 A198 I199 S200 L242 R245	E192-E196 VanDerWaalsContact O-CB 3.31Å; E192-E196 WeakPolarHBondContact O-CB 3.48Å; E192-E196 WeakPolarHBondContact O-CG 3.28Å; E192-E196 PolarHBondContact O-N 3.28Å; E196-A198 VanDerWaalsContact C-N 3.32Å; E196-A198 PolarHBondContact O-N 3.41Å; E196-I199 PolarHBondContact O-N 3.05Å; E196-S200 WeakPolarHBondContact O-CB 3.41Å; E196-S200 PolarHBondContact O-N 3.21Å; E196-S200 PolarHBondContact O-OG 3.43Å; E196-L242 HydrophobicContact CB-CD2 3.75Å; E196-L242 HydrophobicContact CB-CG 4.32Å; E196-L242 HydrophobicContact CG-CD2 3.91Å; E196-L242 HydrophobicContact CG-CG 4.08Å; E196-R245 IonicContact OE1-CZ 3.64Å; E196-R245 IonicContact OE1-NH1 2.77Å; E196-R245 PolarHBondContact OE1-NH1 3.3Å; E196-R245 VanDerWaalsContact OE1-NH1 3.1Å; E196-R245 IonicContact OE1-NH2 2.76Å; E196-R245 PolarHBondContact OE1-NH2 3.21Å; E196-R245 IonicContact OE2-CZ 3.18Å; E196-R245 IonicContact OE2-NH1 3.79Å; E196-R245 PolarHBondContact OE2-NH1 3.46Å; E196-R245 IonicContact OE2-NH2 2.96Å
197	T	96.4	Very high	94.7	Very high	18 Å²	18	36.2 Å²	36.2	11%	0.11	20%	0.203	C	C	.	.	H	α-helix	trans	-64.3	-36.8	179	-59.2	0	0	0	0	112.1	I42 K182 W189 Q193 I195 C201	I42-T197 HydrophobicContact CD1-CG2 3.92Å; K182-T197 HydrophobicContact CB-CG2 4.39Å; K182-T197 HydrophobicContact CG-CG2 4.4Å; W189-T197 HydrophobicContact CH2-CG2 3.91Å; W189-T197 HydrophobicContact CZ2-CG2 4.21Å; W189-T197 HydrophobicContact CZ3-CG2 4.19Å; Q193-T197 WeakPolarHBondContact O-CB 3.23Å; Q193-T197 PolarHBondContact O-N 3.39Å; Q193-T197 PolarHBondContact O-OG1 3.11Å; I195-T197 VanDerWaalsContact C-N 3.31Å; I195-T197 PolarHBondContact O-N 3.21Å; T197-C201 VanDerWaalsContact O-CB 3.24Å; T197-C201 WeakPolarHBondContact O-CB 3.34Å; T197-C201 PolarHBondContact O-N 3.22Å
198	A	97.5	Very high	95.6	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.4	-44.4	177.2	0	0	0	0	0	111.8	V40 I42 V51 T194 I195 E196 C201 L202	V40-A198 HydrophobicContact CG1-CB 4.4Å; I42-A198 HydrophobicContact CD1-CB 3.76Å; I42-A198 HydrophobicContact CG1-CB 4.17Å; V51-A198 HydrophobicContact CB-CB 4.29Å; V51-A198 HydrophobicContact CG2-CB 3.5Å; T194-A198 WeakPolarHBondContact O-CB 3.32Å; T194-A198 PolarHBondContact O-N 3.43Å; T194-A198 VanDerWaalsContact O-N 3.08Å; I195-A198 WeakPolarHBondContact O-CB 3.16Å; I195-A198 PolarHBondContact O-N 3.25Å; I195-A198 VanDerWaalsContact O-N 3.09Å; E196-A198 VanDerWaalsContact C-N 3.32Å; E196-A198 PolarHBondContact O-N 3.41Å; A198-C201 WeakPolarHBondContact O-CB 3.31Å; A198-C201 PolarHBondContact O-N 3.4Å; A198-L202 PolarHBondContact O-N 3.23Å; A198-L202 VanDerWaalsContact O-N 3.15Å
199	I	97.5	Very high	96.1	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.015	22%	0.217	C	C	.	.	H	α-helix	trans	-65.2	-49.4	176.4	-64.8	173.5	0	0	0	110.4	V51 I195 E196 C201 L202 S203 L215 L239 L242	V51-I199 HydrophobicContact CG1-CG1 4.4Å; V51-I199 HydrophobicContact CG2-CG1 4.4Å; I195-I199 HydrophobicContact CG2-CD1 3.75Å; I195-I199 HydrophobicContact CG2-CG1 4.37Å; I195-I199 WeakPolarHBondContact O-CG1 3.14Å; I195-I199 PolarHBondContact O-N 3.08Å; E196-I199 PolarHBondContact O-N 3.05Å; I199-C201 VanDerWaalsContact C-N 3.28Å; I199-C201 PolarHBondContact O-N 3.41Å; I199-L202 PolarHBondContact O-N 3.24Å; I199-L202 VanDerWaalsContact O-N 3.11Å; I199-S203 WeakPolarHBondContact O-CB 3.49Å; I199-S203 PolarHBondContact O-N 3.12Å; I199-L215 HydrophobicContact CG1-CD1 4.46Å; I199-L215 HydrophobicContact CG2-CD1 4.17Å; I199-L239 HydrophobicContact CG2-CD2 3.73Å; I199-L242 HydrophobicContact CB-CD1 3.92Å; I199-L242 HydrophobicContact CG2-CD1 3.66Å
200	S	96.6	Very high	96.3	Very high	23 Å²	23	39.2 Å²	39.2	16%	0.161	22%	0.219	C	C	.	.	H	α-helix	trans	-59.7	-38.1	177.6	-60.9	0	0	0	0	112.2	E196 T204 L242	E196-S200 WeakPolarHBondContact O-CB 3.41Å; E196-S200 PolarHBondContact O-N 3.21Å; E196-S200 PolarHBondContact O-OG 3.43Å; S200-T204 VanDerWaalsContact O-CB 3.26Å; S200-T204 WeakPolarHBondContact O-CB 3.37Å; S200-T204 PolarHBondContact O-N 2.95Å; S200-T204 PolarHBondContact O-OG1 2.97Å; S200-L242 WeakPolarHBondContact OG-CD2 3.27Å
201	C	97.6	Very high	96.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.4	-50.7	174.4	-179.2	0	0	0	0	110.6	F178 L179 T197 A198 I199 T204 V205	F178-C201 HydrophobicContact CD1-CB 3.52Å; F178-C201 VanDerWaalsContact CD1-SG 3.53Å; F178-C201 VanDerWaalsContact CE1-CA 3.44Å; F178-C201 HydrophobicContact CE1-CB 3.53Å; F178-C201 HydrophobicContact CG-CB 4.38Å; F178-C201 HydrophobicContact CZ-CB 4.38Å; L179-C201 HydrophobicContact CD2-CB 4.2Å; T197-C201 VanDerWaalsContact O-CB 3.24Å; T197-C201 WeakPolarHBondContact O-CB 3.34Å; T197-C201 PolarHBondContact O-N 3.22Å; A198-C201 WeakPolarHBondContact O-CB 3.31Å; A198-C201 PolarHBondContact O-N 3.4Å; I199-C201 VanDerWaalsContact C-N 3.28Å; I199-C201 PolarHBondContact O-N 3.41Å; C201-T204 PolarHBondContact O-N 3.32Å; C201-V205 WeakPolarHBondContact O-CG1 3.35Å; C201-V205 WeakPolarHBondContact O-CG2 3.43Å; C201-V205 PolarHBondContact O-N 3.28Å; C201-V205 VanDerWaalsContact O-N 3.12Å
202	L	97.3	Very high	96.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.6	-42.2	-177	-167.3	61.5	0	0	0	111.7	T38 V40 V51 Q53 A198 I199 V205 L206 F210 L215	T38-L202 HydrophobicContact CG2-CD1 3.93Å; V40-L202 HydrophobicContact CG2-CD1 4.25Å; V51-L202 HydrophobicContact CG1-CD2 3.93Å; Q53-L202 HydrophobicContact CG-CD1 4.47Å; Q53-L202 HydrophobicContact CG-CD2 4.04Å; A198-L202 PolarHBondContact O-N 3.23Å; A198-L202 VanDerWaalsContact O-N 3.15Å; I199-L202 PolarHBondContact O-N 3.24Å; I199-L202 VanDerWaalsContact O-N 3.11Å; L202-V205 WeakPolarHBondContact O-CG2 3.34Å; L202-L206 HydrophobicContact CD1-CD1 3.64Å; L202-L206 HydrophobicContact CD1-CG 4.37Å; L202-L206 HydrophobicContact CG-CD1 3.78Å; L202-L206 WeakPolarHBondContact O-CB 3.49Å; L202-L206 WeakPolarHBondContact O-CD1 3.36Å; L202-L206 VanDerWaalsContact O-CG 3.32Å; L202-L206 WeakPolarHBondContact O-CG 3.46Å; L202-L206 PolarHBondContact O-N 3.31Å; L202-L206 VanDerWaalsContact O-N 3.16Å; L202-F210 HydrophobicContact CB-CE2 4.26Å; L202-F210 HydrophobicContact CD2-CE2 4.19Å; L202-F210 HydrophobicContact CD2-CZ 4.08Å; L202-F210 HydrophobicContact CG-CE2 3.93Å; L202-F210 HydrophobicContact CG-CZ 3.97Å; L202-L215 HydrophobicContact CD2-CD2 3.65Å
203	S	96.9	Very high	96.5	Very high	25 Å²	25	39.8 Å²	39.8	18%	0.175	23%	0.225	C	C	.	.	H	α-helix	trans	-60.3	-47.6	175.4	169.1	0	0	0	0	111.4	I199 V205 L206 S207 I208	I199-S203 WeakPolarHBondContact O-CB 3.49Å; I199-S203 PolarHBondContact O-N 3.12Å; S203-V205 PolarHBondContact O-N 2.82Å; S203-L206 PolarHBondContact O-N 3.13Å; S203-S207 VanDerWaalsContact O-CA 3.28Å; S203-S207 WeakPolarHBondContact O-CA 3.42Å; S203-S207 PolarHBondContact O-N 2.83Å; S203-I208 WeakPolarHBondContact CA-O 3.28Å; S203-I208 VanDerWaalsContact CB-O 3.26Å; S203-I208 WeakPolarHBondContact CB-O 3.26Å; S203-I208 PolarHBondContact O-N 3.37Å; S203-I208 PolarHBondContact OG-O 3.14Å
204	T	97.2	Very high	96.6	Very high	75 Å²	75	40.3 Å²	40.3	46%	0.46	23%	0.227	S	C	.	.	H	α-helix	trans	-61.6	-48.8	-179.4	-58.5	0	0	0	0	111.8	F178 S200 C201 L206 S207	F178-T204 HydrophobicContact CD2-CG2 4.01Å; F178-T204 HydrophobicContact CE2-CG2 4.01Å; S200-T204 VanDerWaalsContact O-CB 3.26Å; S200-T204 WeakPolarHBondContact O-CB 3.37Å; S200-T204 PolarHBondContact O-N 2.95Å; S200-T204 PolarHBondContact O-OG1 2.97Å; C201-T204 PolarHBondContact O-N 3.32Å; T204-L206 VanDerWaalsContact C-N 3.28Å; T204-L206 PolarHBondContact O-N 2.98Å; T204-S207 PolarHBondContact O-N 3.39Å
205	V	97.7	Very high	96.6	Very high	20 Å²	20	40.5 Å²	40.5	12%	0.121	23%	0.228	C	C	.	.	H	α-helix	trans	-74.1	-21	-174.2	-59	0	0	0	0	113.5	K171 E174 A175 C201 L202 S203	K171-V205 HydrophobicContact CB-CB 4.39Å; K171-V205 HydrophobicContact CB-CG2 4.08Å; E174-V205 HydrophobicContact CB-CB 4.22Å; E174-V205 HydrophobicContact CB-CG1 3.98Å; A175-V205 HydrophobicContact CB-CG1 4.3Å; C201-V205 WeakPolarHBondContact O-CG1 3.35Å; C201-V205 WeakPolarHBondContact O-CG2 3.43Å; C201-V205 PolarHBondContact O-N 3.28Å; C201-V205 VanDerWaalsContact O-N 3.12Å; L202-V205 WeakPolarHBondContact O-CG2 3.34Å; S203-V205 PolarHBondContact O-N 2.82Å
206	L	96.9	Very high	96.7	Very high	37 Å²	37	41.2 Å²	41.2	19%	0.194	23%	0.231	C	C	.	.	H	α-helix	trans	-97.1	-14.8	174.6	-62.9	170.4	0	0	0	112.7	Q53 K171 L202 S203 T204 I208 F210	Q53-L206 HydrophobicContact CG-CD1 3.93Å; Q53-L206 VanDerWaalsContact NE2-CD1 3.33Å; K171-L206 HydrophobicContact CG-CD2 3.87Å; L202-L206 HydrophobicContact CD1-CD1 3.64Å; L202-L206 HydrophobicContact CD1-CG 4.37Å; L202-L206 HydrophobicContact CG-CD1 3.78Å; L202-L206 WeakPolarHBondContact O-CB 3.49Å; L202-L206 WeakPolarHBondContact O-CD1 3.36Å; L202-L206 VanDerWaalsContact O-CG 3.32Å; L202-L206 WeakPolarHBondContact O-CG 3.46Å; L202-L206 PolarHBondContact O-N 3.31Å; L202-L206 VanDerWaalsContact O-N 3.16Å; S203-L206 PolarHBondContact O-N 3.13Å; T204-L206 VanDerWaalsContact C-N 3.28Å; T204-L206 PolarHBondContact O-N 2.98Å; L206-I208 VanDerWaalsContact C-N 3.31Å; L206-I208 HydrophobicContact CB-CB 4.32Å; L206-I208 HydrophobicContact CB-CD1 4.04Å; L206-I208 HydrophobicContact CB-CG1 4.19Å; L206-F210 HydrophobicContact CD1-CE2 4.37Å; L206-F210 HydrophobicContact CD1-CZ 3.63Å
207	S	96.3	Very high	96.8	Very high	112 Å²	112	40.5 Å²	40.5	78%	0.783	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	48.4	-172.6	-51.3	0	0	0	0	111.4	S203 T204	S203-S207 VanDerWaalsContact O-CA 3.28Å; S203-S207 WeakPolarHBondContact O-CA 3.42Å; S203-S207 PolarHBondContact O-N 2.83Å; T204-S207 PolarHBondContact O-N 3.39Å
208	I	94.5	Very high	96.9	Very high	68 Å²	68	39.7 Å²	39.7	35%	0.349	22%	0.223	S	C	.	.			trans	-132.5	132.1	-177	-67.9	172.5	0	0	0	109.3	S203 L206 F210	S203-I208 WeakPolarHBondContact CA-O 3.28Å; S203-I208 VanDerWaalsContact CB-O 3.26Å; S203-I208 WeakPolarHBondContact CB-O 3.26Å; S203-I208 PolarHBondContact O-N 3.37Å; S203-I208 PolarHBondContact OG-O 3.14Å; L206-I208 VanDerWaalsContact C-N 3.31Å; L206-I208 HydrophobicContact CB-CB 4.32Å; L206-I208 HydrophobicContact CB-CD1 4.04Å; L206-I208 HydrophobicContact CB-CG1 4.19Å; I208-F210 HydrophobicContact CG2-CD1 3.97Å; I208-F210 HydrophobicContact CG2-CE1 4.02Å; I208-F210 HydrophobicContact CG2-CG 4.27Å; I208-F210 HydrophobicContact CG2-CZ 4.37Å
209	D	93.6	Very high	97	Very high	144 Å²	144	40 Å²	40	77%	0.77	22%	0.224	S	C	*	.			trans	-88.3	115.8	163.5	-58.7	-36.7	0	0	0	108.2
210	F	96.1	Very high	97	Very high	23 Å²	23	39.9 Å²	39.9	10%	0.101	22%	0.224	C	C	.	.			trans	-83.5	143.2	-172.3	-74	-73.5	0	0	0	112.1	Q53 L202 L206 I208 E214 L215 L239	Q53-F210 HydrophobicContact CG-CE1 4.35Å; Q53-F210 HydrophobicContact CG-CZ 4.24Å; L202-F210 HydrophobicContact CB-CE2 4.26Å; L202-F210 HydrophobicContact CD2-CE2 4.19Å; L202-F210 HydrophobicContact CD2-CZ 4.08Å; L202-F210 HydrophobicContact CG-CE2 3.93Å; L202-F210 HydrophobicContact CG-CZ 3.97Å; L206-F210 HydrophobicContact CD1-CE2 4.37Å; L206-F210 HydrophobicContact CD1-CZ 3.63Å; I208-F210 HydrophobicContact CG2-CD1 3.97Å; I208-F210 HydrophobicContact CG2-CE1 4.02Å; I208-F210 HydrophobicContact CG2-CG 4.27Å; I208-F210 HydrophobicContact CG2-CZ 4.37Å; F210-E214 HydrophobicContact CD1-CB 3.86Å; F210-L215 HydrophobicContact CB-CD1 3.56Å; F210-L215 HydrophobicContact CB-CG 3.79Å; F210-L215 HydrophobicContact CD1-CD1 4.36Å; F210-L215 HydrophobicContact CD1-CD2 3.77Å; F210-L215 HydrophobicContact CD1-CG 3.81Å; F210-L215 HydrophobicContact CD2-CD1 3.81Å; F210-L215 HydrophobicContact CD2-CD2 3.91Å; F210-L215 HydrophobicContact CD2-CG 4.08Å; F210-L215 HydrophobicContact CE1-CD2 3.78Å; F210-L215 HydrophobicContact CE1-CG 4.34Å; F210-L215 HydrophobicContact CE2-CD2 3.92Å; F210-L215 HydrophobicContact CG-CD1 3.67Å; F210-L215 HydrophobicContact CG-CD2 3.81Å; F210-L215 HydrophobicContact CG-CG 3.63Å; F210-L215 HydrophobicContact CZ-CD2 3.83Å; F210-L239 HydrophobicContact CB-CD2 4.49Å
211	K	96.8	Very high	97	Very high	133 Å²	133	40 Å²	40	58%	0.578	22%	0.224	S	C	*	.			trans	-81.6	157.1	157.7	-64	176.8	-176	173.2	0	110.3	S213 E214	K211-S213 PolarHBondContact O-N 3.38Å; K211-S213 VanDerWaalsContact O-N 3.15Å; K211-E214 HydrophobicContact CB-CG 4.13Å; K211-E214 PolarHBondContact N-OE2 3.33Å; K211-E214 WeakPolarHBondContact O-CB 3.32Å; K211-E214 PolarHBondContact O-N 2.63Å
212	P	96.9	Very high	96.8	Very high	24 Å²	24	43 Å²	43	16%	0.156	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-55.4	-34.9	177.1	-24.1	31.7	0	0	0	113.6	E214 E232 I235 D236 L239	P212-E214 VanDerWaalsContact C-N 3.25Å; P212-E214 PolarHBondContact O-N 3.16Å; P212-E232 HydrophobicContact CB-CB 4.15Å; P212-E232 WeakPolarHBondContact CB-O 3.37Å; P212-I235 HydrophobicContact CB-CB 4.45Å; P212-I235 HydrophobicContact CB-CG2 4.3Å; P212-D236 HydrophobicContact CB-CB 4.24Å; P212-D236 HydrophobicContact CG-CB 3.55Å; P212-D236 WeakPolarHBondContact CG-OD1 3.46Å; P212-L239 HydrophobicContact CB-CD1 4.41Å; P212-L239 HydrophobicContact CG-CD1 3.97Å
213	S	96.7	Very high	96.5	Very high	56 Å²	56	51.9 Å²	51.9	39%	0.392	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-75.5	-7.8	179.7	57	0	0	0	0	114.8	K211	K211-S213 PolarHBondContact O-N 3.38Å; K211-S213 VanDerWaalsContact O-N 3.15Å
214	E	97.1	Very high	96.3	Very high	70 Å²	70	55.8 Å²	55.8	33%	0.327	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-99.7	1.2	-179.2	-63.8	172.5	160.7	0	0	112.6	Q53 K54 F210 K211 P212	Q53-E214 CarbonylContact C-O 3.54Å; K54-E214 PolarHBondContact N-O 3.39Å; F210-E214 HydrophobicContact CD1-CB 3.86Å; K211-E214 HydrophobicContact CB-CG 4.13Å; K211-E214 PolarHBondContact N-OE2 3.33Å; K211-E214 WeakPolarHBondContact O-CB 3.32Å; K211-E214 PolarHBondContact O-N 2.63Å; P212-E214 VanDerWaalsContact C-N 3.25Å; P212-E214 PolarHBondContact O-N 3.16Å
215	L	97.1	Very high	96	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	151.4	179.1	-69.5	177.2	0	0	0	111.2	V51 T52 I199 L202 F210 L239	V51-L215 HydrophobicContact CG1-CD2 4.11Å; T52-L215 WeakPolarHBondContact O-CA 3.18Å; I199-L215 HydrophobicContact CG1-CD1 4.46Å; I199-L215 HydrophobicContact CG2-CD1 4.17Å; L202-L215 HydrophobicContact CD2-CD2 3.65Å; F210-L215 HydrophobicContact CB-CD1 3.56Å; F210-L215 HydrophobicContact CB-CG 3.79Å; F210-L215 HydrophobicContact CD1-CD1 4.36Å; F210-L215 HydrophobicContact CD1-CD2 3.77Å; F210-L215 HydrophobicContact CD1-CG 3.81Å; F210-L215 HydrophobicContact CD2-CD1 3.81Å; F210-L215 HydrophobicContact CD2-CD2 3.91Å; F210-L215 HydrophobicContact CD2-CG 4.08Å; F210-L215 HydrophobicContact CE1-CD2 3.78Å; F210-L215 HydrophobicContact CE1-CG 4.34Å; F210-L215 HydrophobicContact CE2-CD2 3.92Å; F210-L215 HydrophobicContact CG-CD1 3.67Å; F210-L215 HydrophobicContact CG-CD2 3.81Å; F210-L215 HydrophobicContact CG-CG 3.63Å; F210-L215 HydrophobicContact CZ-CD2 3.83Å; L215-L239 HydrophobicContact CD1-CD2 4.41Å
216	E	98.2	Very high	96	Very high	16 Å²	16	59.3 Å²	59.3	8%	0.075	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136	161.6	-56.2	-178	109.7	0	0	108.6	V51 T52 K54 T67 Q68 L69	V51-E216 WeakPolarHBondContact CA-O 3.45Å; T52-E216 HydrophobicContact CG2-CB 3.98Å; T52-E216 PolarHBondContact N-O 2.81Å; T52-E216 PolarHBondContact O-N 2.9Å; K54-E216 HydrophobicContact CB-CG 4.09Å; K54-E216 HydrophobicContact CD-CG 3.87Å; K54-E216 HydrophobicContact CG-CG 4.29Å; T67-E216 WeakPolarHBondContact CA-OE1 3.43Å; T67-E216 VanDerWaalsContact CA-OE2 3.3Å; T67-E216 WeakPolarHBondContact CA-OE2 3.31Å; T67-E216 WeakPolarHBondContact CB-OE1 3.03Å; T67-E216 PolarHBondContact OG1-OE1 2.97Å; T67-E216 PolarHBondContact OG1-OE2 2.99Å; T67-E216 VanDerWaalsContact OG1-OE2 3.1Å; Q68-E216 PolarHBondContact N-OE2 2.96Å; L69-E216 HydrophobicContact CD1-CB 3.59Å; L69-E216 HydrophobicContact CG-CB 4.07Å
217	V	98.6	Very high	96	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	117.7	179.7	-175.6	0	0	0	0	108.8	V49 V50 V51 I195 V219 I229 L230 I235	V49-V217 HydrophobicContact CG1-CG1 3.93Å; V50-V217 WeakPolarHBondContact O-CA 3.42Å; V51-V217 HydrophobicContact CG1-CG2 4.3Å; V51-V217 HydrophobicContact CG2-CG1 4.15Å; V51-V217 HydrophobicContact CG2-CG2 4.12Å; I195-V217 HydrophobicContact CG2-CG1 4.43Å; V217-V219 HydrophobicContact CG1-CG1 3.89Å; V217-I229 WeakPolarHBondContact O-CA 3.33Å; V217-L230 HydrophobicContact CB-CB 4.29Å; V217-L230 HydrophobicContact CB-CD1 3.95Å; V217-L230 HydrophobicContact CB-CG 4.19Å; V217-L230 HydrophobicContact CG1-CD1 3.7Å; V217-L230 HydrophobicContact CG1-CG 4.18Å; V217-L230 PolarHBondContact O-N 3.27Å; V217-I235 HydrophobicContact CB-CD1 4.38Å; V217-I235 HydrophobicContact CB-CG1 4.32Å; V217-I235 HydrophobicContact CG2-CD1 4.05Å; V217-I235 HydrophobicContact CG2-CG1 3.96Å
218	G	98.5	Very high	96.1	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	132.3	173.2	0	0	0	0	0	110	V49 V50 K228	V49-G218 CarbonylContact C-O 3.6Å; V49-G218 WeakPolarHBondContact CA-O 3.39Å; V50-G218 PolarHBondContact N-O 3.5Å; V50-G218 PolarHBondContact O-N 3.17Å; G218-K228 CarbonylContact C-O 3.58Å; G218-K228 WeakPolarHBondContact CA-O 3.4Å
219	V	98.3	Very high	96.3	Very high	6 Å²	6	57.3 Å²	57.3	4%	0.036	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	153	-175.9	-55.8	0	0	0	0	111.6	A48 V49 F191 I195 V217 K228 L230	A48-V219 WeakPolarHBondContact O-CA 3.4Å; V49-V219 HydrophobicContact CG1-CG1 4.22Å; V49-V219 HydrophobicContact CG2-CG1 4.08Å; F191-V219 HydrophobicContact CE2-CB 4.08Å; F191-V219 HydrophobicContact CE2-CG1 4.17Å; F191-V219 HydrophobicContact CE2-CG2 4.37Å; F191-V219 HydrophobicContact CZ-CB 4.45Å; F191-V219 HydrophobicContact CZ-CG1 4.37Å; F191-V219 HydrophobicContact CZ-CG2 4.34Å; I195-V219 HydrophobicContact CD1-CG1 4.14Å; I195-V219 HydrophobicContact CG1-CG1 4.4Å; V217-V219 HydrophobicContact CG1-CG1 3.89Å; V219-K228 HydrophobicContact CG2-CB 4.11Å; V219-K228 PolarHBondContact N-O 3.11Å; V219-K228 PolarHBondContact O-N 3.08Å; V219-L230 HydrophobicContact CG1-CD1 4.2Å; V219-L230 HydrophobicContact CG1-CD2 4.42Å; V219-L230 HydrophobicContact CG1-CG 4.2Å; V219-L230 HydrophobicContact CG2-CD2 3.87Å; V219-L230 HydrophobicContact CG2-CG 4.42Å
220	I	97.4	Very high	96.5	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	142.2	164.7	-165.9	165.8	0	0	0	109	C47 A48 N75 I141 M143 P225	C47-I220 CarbonylContact C-O 3.52Å; C47-I220 WeakPolarHBondContact CA-O 3.45Å; C47-I220 VanDerWaalsContact CB-O 3.24Å; C47-I220 WeakPolarHBondContact CB-O 3.38Å; A48-I220 HydrophobicContact CB-CG2 3.91Å; A48-I220 PolarHBondContact N-O 3.41Å; A48-I220 PolarHBondContact O-N 3.1Å; N75-I220 WeakPolarHBondContact O-CD1 3.47Å; I141-I220 HydrophobicContact CB-CG2 4.46Å; I141-I220 HydrophobicContact CD1-CG2 4.15Å; I141-I220 HydrophobicContact CG1-CG2 4.5Å; M143-I220 HydrophobicContact CB-CD1 3.93Å; M143-I220 HydrophobicContact CB-CG1 4.35Å; M143-I220 HydrophobicContact CE-CG1 4.22Å; M143-I220 HydrophobicContact CE-CG2 4.26Å; I220-P225 WeakPolarHBondContact CD1-O 3.29Å
221	T	96.8	Very high	96.6	Very high	26 Å²	26	52.4 Å²	52.4	16%	0.16	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	157.7	-175.5	71.9	0	0	0	0	111	D46 C47 M143 F191 Q223 E224 P225	D46-T221 CarbonylContact O-C 3.5Å; D46-T221 WeakPolarHBondContact O-CA 3.42Å; C47-T221 HydrophobicContact CB-CG2 4.16Å; M143-T221 WeakPolarHBondContact CE-O 3.28Å; F191-T221 HydrophobicContact CD2-CG2 3.81Å; F191-T221 HydrophobicContact CE2-CG2 3.59Å; F191-T221 HydrophobicContact CZ-CG2 4.31Å; T221-Q223 VanDerWaalsContact C-N 3.27Å; T221-Q223 PolarHBondContact O-N 3.14Å; T221-E224 PolarHBondContact N-O 3.1Å; T221-E224 CarbonylContact O-C 3.57Å; T221-E224 PolarHBondContact OG1-N 3.02Å; T221-E224 PolarHBondContact OG1-O 3.1Å; T221-P225 VanDerWaalsContact O-CA 3.27Å; T221-P225 WeakPolarHBondContact O-CA 3.38Å
222	T	93.3	Very high	96.6	Very high	63 Å²	63	51.1 Å²	51.1	39%	0.387	26%	0.262	S	S	.	.	S	Bend	trans	-66.4	-30.9	175.9	50.5	0	0	0	0	112.5	D46 M143 P149	D46-T222 HydrophobicContact CB-CG2 4.29Å; D46-T222 PolarHBondContact O-N 2.96Å; D46-T222 PolarHBondContact O-OG1 2.94Å; M143-T222 HydrophobicContact CE-CG2 4.06Å; M143-T222 HydrophobicContact SD-CG2 3.65Å; P149-T222 HydrophobicContact CG-CG2 4.3Å
223	Q	91.7	Very high	96.7	Very high	186 Å²	186	54.1 Å²	54.1	87%	0.869	28%	0.284	S	S	*	.	S	Bend	trans	-74.1	-41.7	179.6	-63.4	175.8	8	0	0	111.9	T221	T221-Q223 VanDerWaalsContact C-N 3.27Å; T221-Q223 PolarHBondContact O-N 3.14Å
224	E	92.8	Very high	96.7	Very high	108 Å²	108	54.4 Å²	54.4	51%	0.505	28%	0.279	S	S	.	.	S	Bend	trans	-124.5	91.5	174.5	-171.1	174	-166.6	0	0	108.4	T221 K226	T221-E224 PolarHBondContact N-O 3.1Å; T221-E224 CarbonylContact O-C 3.57Å; T221-E224 PolarHBondContact OG1-N 3.02Å; T221-E224 PolarHBondContact OG1-O 3.1Å; E224-K226 HydrophobicContact CG-CB 4.39Å; E224-K226 PolarHBondContact O-N 3.44Å
225	P	91.9	Very high	96.8	Very high	49 Å²	49	51.3 Å²	51.3	32%	0.318	27%	0.265	S	S	.	.			trans	-75.9	23.4	-174.2	32.5	-37.2	0	0	0	113	N75 M143 I220 T221	N75-P225 VanDerWaalsContact CA-O 3.31Å; N75-P225 WeakPolarHBondContact CA-O 3.46Å; N75-P225 WeakPolarHBondContact CB-O 3.44Å; N75-P225 VanDerWaalsContact CG-O 3.26Å; N75-P225 PolarHBondContact OD1-O 2.64Å; N75-P225 VanDerWaalsContact OD1-O 3.07Å; M143-P225 HydrophobicContact CB-CB 4.02Å; M143-P225 HydrophobicContact CG-CB 4.12Å; I220-P225 WeakPolarHBondContact CD1-O 3.29Å; T221-P225 VanDerWaalsContact O-CA 3.27Å; T221-P225 WeakPolarHBondContact O-CA 3.38Å
226	K	96.3	Very high	96.8	Very high	119 Å²	119	54.7 Å²	54.7	52%	0.517	28%	0.283	S	S	.	.	S	Bend	trans	-97.2	136.6	175.1	-69.9	-179.9	178.9	177.6	0	109.9	D74 E224 K228	D74-K226 CarbonylContact O-C 3.12Å; D74-K226 VanDerWaalsContact O-CA 3.24Å; D74-K226 WeakPolarHBondContact O-CA 3.41Å; E224-K226 HydrophobicContact CG-CB 4.39Å; E224-K226 PolarHBondContact O-N 3.44Å; K226-K228 PolarHBondContact O-N 3.43Å
227	F	98.1	Very high	96.7	Very high	16 Å²	16	56.8 Å²	56.8	7%	0.07	30%	0.303	C	S	.	.			trans	-67.5	119.8	173.2	178.3	-112.5	0	0	0	110.2	V50 L69 R71 D74 G77 I141 I229	V50-F227 HydrophobicContact CG2-CE2 4.45Å; L69-F227 HydrophobicContact CB-CZ 4.43Å; R71-F227 HydrophobicContact CB-CD1 4.05Å; R71-F227 HydrophobicContact CG-CD1 4.19Å; D74-F227 PolarHBondContact O-N 2.9Å; G77-F227 VanDerWaalsContact CA-CG 3.49Å; I141-F227 HydrophobicContact CD1-CD2 4.11Å; I141-F227 HydrophobicContact CD1-CE2 3.93Å; I141-F227 HydrophobicContact CG1-CD2 4.34Å; I141-F227 HydrophobicContact CG1-CE2 4.27Å; F227-I229 HydrophobicContact CE1-CD1 4.25Å; F227-I229 HydrophobicContact CE1-CG1 3.83Å; F227-I229 HydrophobicContact CZ-CG1 4.06Å
228	K	97.9	Very high	96.6	Very high	84 Å²	84	58.8 Å²	58.8	37%	0.365	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	135.1	-180	-179.1	179.9	171.7	-171.2	0	109.9	G218 V219 K226 L230 E234	G218-K228 CarbonylContact C-O 3.58Å; G218-K228 WeakPolarHBondContact CA-O 3.4Å; V219-K228 HydrophobicContact CG2-CB 4.11Å; V219-K228 PolarHBondContact N-O 3.11Å; V219-K228 PolarHBondContact O-N 3.08Å; K226-K228 PolarHBondContact O-N 3.43Å; K228-L230 HydrophobicContact CD-CD2 4.49Å; K228-E234 WeakPolarHBondContact CE-OE1 3.34Å; K228-E234 IonicContact NZ-OE1 2.68Å; K228-E234 PolarHBondContact NZ-OE1 3.42Å; K228-E234 IonicContact NZ-OE2 3.9Å
229	I	98.3	Very high	96.5	Very high	76 Å²	76	60 Å²	60	39%	0.39	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.9	166.4	-59.6	173.4	0	0	0	106.8	L69 V217 F227	L69-I229 HydrophobicContact CB-CD1 3.76Å; L69-I229 HydrophobicContact CB-CG1 4.2Å; L69-I229 HydrophobicContact CD1-CD1 4.36Å; L69-I229 HydrophobicContact CD1-CG1 4.04Å; L69-I229 HydrophobicContact CD1-CG2 3.98Å; V217-I229 WeakPolarHBondContact O-CA 3.33Å; F227-I229 HydrophobicContact CE1-CD1 4.25Å; F227-I229 HydrophobicContact CE1-CG1 3.83Å; F227-I229 HydrophobicContact CZ-CG1 4.06Å
230	L	98.1	Very high	96.4	Very high	14 Å²	14	62.7 Å²	62.7	7%	0.073	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-70	143.5	179.2	-60.3	-172.6	0	0	0	110.9	I195 V217 V219 K228 E234 I235 Y238	I195-L230 HydrophobicContact CD1-CD1 4.22Å; V217-L230 HydrophobicContact CB-CB 4.29Å; V217-L230 HydrophobicContact CB-CD1 3.95Å; V217-L230 HydrophobicContact CB-CG 4.19Å; V217-L230 HydrophobicContact CG1-CD1 3.7Å; V217-L230 HydrophobicContact CG1-CG 4.18Å; V217-L230 PolarHBondContact O-N 3.27Å; V219-L230 HydrophobicContact CG1-CD1 4.2Å; V219-L230 HydrophobicContact CG1-CD2 4.42Å; V219-L230 HydrophobicContact CG1-CG 4.2Å; V219-L230 HydrophobicContact CG2-CD2 3.87Å; V219-L230 HydrophobicContact CG2-CG 4.42Å; K228-L230 HydrophobicContact CD-CD2 4.49Å; L230-E234 HydrophobicContact CB-CB 4.16Å; L230-I235 HydrophobicContact CB-CD1 4.39Å; L230-I235 HydrophobicContact CB-CG1 3.91Å; L230-Y238 HydrophobicContact CD1-CD2 4.34Å; L230-Y238 HydrophobicContact CD1-CE2 3.97Å
231	S	98.1	Very high	96.1	Very high	49 Å²	49	63.9 Å²	63.9	34%	0.343	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-71.4	158.9	170.4	60.8	0	0	0	0	111.5	S233 E234 I235	S231-S233 PolarHBondContact O-N 3.19Å; S231-S233 PolarHBondContact OG-OG 3.18Å; S231-S233 VanDerWaalsContact OG-OG 3.05Å; S231-E234 WeakPolarHBondContact CB-OE2 3.36Å; S231-E234 PolarHBondContact N-OE2 2.78Å; S231-E234 PolarHBondContact O-N 3.02Å; S231-E234 VanDerWaalsContact OG-CG 3.28Å; S231-E234 WeakPolarHBondContact OG-CG 3.48Å; S231-E234 PolarHBondContact OG-N 3.41Å; S231-E234 PolarHBondContact OG-OE2 2.92Å; S231-I235 WeakPolarHBondContact O-CG1 3.43Å; S231-I235 PolarHBondContact O-N 3.35Å
232	E	97.4	Very high	95.9	Very high	106 Å²	106	63.8 Å²	63.8	50%	0.495	34%	0.342	S	S	.	.	H	α-helix	trans	-57.7	-35.6	176.7	-67.1	-173.7	-178.8	0	0	112.1	P212 I235 D236	P212-E232 HydrophobicContact CB-CB 4.15Å; P212-E232 WeakPolarHBondContact CB-O 3.37Å; E232-I235 PolarHBondContact O-N 3.34Å; E232-D236 WeakPolarHBondContact O-CB 3.38Å; E232-D236 PolarHBondContact O-N 2.89Å
233	S	97.8	Very high	95.6	Very high	88 Å²	88	64.4 Å²	64.4	62%	0.615	35%	0.349	S	S	*	.	H	α-helix	trans	-66.3	-37	175.5	46.8	0	0	0	0	113.6	S231 A237	S231-S233 PolarHBondContact O-N 3.19Å; S231-S233 PolarHBondContact OG-OG 3.18Å; S231-S233 VanDerWaalsContact OG-OG 3.05Å; S233-A237 PolarHBondContact O-N 3.24Å
234	E	97.8	Very high	95.4	Very high	62 Å²	62	63 Å²	63	29%	0.29	34%	0.342	S	S	.	.	H	α-helix	trans	-69.5	-40.3	175.5	-73.1	165.3	129.1	0	0	110.5	K228 L230 S231 A237 Y238	K228-E234 WeakPolarHBondContact CE-OE1 3.34Å; K228-E234 IonicContact NZ-OE1 2.68Å; K228-E234 PolarHBondContact NZ-OE1 3.42Å; K228-E234 IonicContact NZ-OE2 3.9Å; L230-E234 HydrophobicContact CB-CB 4.16Å; S231-E234 WeakPolarHBondContact CB-OE2 3.36Å; S231-E234 PolarHBondContact N-OE2 2.78Å; S231-E234 PolarHBondContact O-N 3.02Å; S231-E234 VanDerWaalsContact OG-CG 3.28Å; S231-E234 WeakPolarHBondContact OG-CG 3.48Å; S231-E234 PolarHBondContact OG-N 3.41Å; S231-E234 PolarHBondContact OG-OE2 2.92Å; E234-A237 PolarHBondContact O-N 2.75Å; E234-Y238 WeakPolarHBondContact O-CD2 3.28Å; E234-Y238 PolarHBondContact O-N 3.3Å
235	I	97.9	Very high	94.7	Very high	4 Å²	4	65.5 Å²	65.5	2%	0.021	35%	0.347	C	S	.	.	H	α-helix	trans	-63.5	-43.1	176.4	-64.1	170	0	0	0	110.7	P212 V217 L230 S231 E232 A237 Y238 L239	P212-I235 HydrophobicContact CB-CB 4.45Å; P212-I235 HydrophobicContact CB-CG2 4.3Å; V217-I235 HydrophobicContact CB-CD1 4.38Å; V217-I235 HydrophobicContact CB-CG1 4.32Å; V217-I235 HydrophobicContact CG2-CD1 4.05Å; V217-I235 HydrophobicContact CG2-CG1 3.96Å; L230-I235 HydrophobicContact CB-CD1 4.39Å; L230-I235 HydrophobicContact CB-CG1 3.91Å; S231-I235 WeakPolarHBondContact O-CG1 3.43Å; S231-I235 PolarHBondContact O-N 3.35Å; E232-I235 PolarHBondContact O-N 3.34Å; I235-A237 VanDerWaalsContact C-N 3.31Å; I235-A237 PolarHBondContact O-N 2.83Å; I235-Y238 PolarHBondContact O-N 3.14Å; I235-Y238 VanDerWaalsContact O-N 3.12Å; I235-L239 HydrophobicContact CG2-CD1 3.93Å; I235-L239 HydrophobicContact CG2-CG 4.31Å; I235-L239 WeakPolarHBondContact O-CG 3.22Å; I235-L239 PolarHBondContact O-N 2.86Å
236	D	97.6	Very high	93.1	Very high	75 Å²	75	73.1 Å²	73.1	40%	0.401	38%	0.378	S	S	.	.	H	α-helix	trans	-58.6	-42.1	178.9	-165.5	52.6	0	0	0	112.1	P212 E232 Y238 L239 V240	P212-D236 HydrophobicContact CB-CB 4.24Å; P212-D236 HydrophobicContact CG-CB 3.55Å; P212-D236 WeakPolarHBondContact CG-OD1 3.46Å; E232-D236 WeakPolarHBondContact O-CB 3.38Å; E232-D236 PolarHBondContact O-N 2.89Å; D236-Y238 VanDerWaalsContact C-N 3.28Å; D236-Y238 PolarHBondContact O-N 2.71Å; D236-L239 PolarHBondContact O-N 3.2Å; D236-L239 VanDerWaalsContact O-N 3.1Å; D236-V240 WeakPolarHBondContact O-CG2 3.49Å; D236-V240 PolarHBondContact O-N 3.03Å
237	A	97.1	Very high	92.9	Very high	61 Å²	61	70.8 Å²	70.8	50%	0.504	37%	0.371	S	S	.	.	H	α-helix	trans	-58.2	-39.3	176.1	0	0	0	0	0	112.7	S233 E234 I235 A241	S233-A237 PolarHBondContact O-N 3.24Å; E234-A237 PolarHBondContact O-N 2.75Å; I235-A237 VanDerWaalsContact C-N 3.31Å; I235-A237 PolarHBondContact O-N 2.83Å; A237-A241 WeakPolarHBondContact O-CB 3.47Å; A237-A241 PolarHBondContact O-N 3.41Å
238	Y	96.6	Very high	92.7	Very high	41 Å²	41	73.7 Å²	73.7	16%	0.161	39%	0.387	C	S	.	.	H	α-helix	trans	-71.6	-36.3	175.3	-69.2	-67.5	0	0	0	112.8	F191 E192 I195 L230 E234 I235 D236 A241 L242	F191-Y238 WeakPolarHBondContact CE1-OH 3.49Å; E192-Y238 HydrophobicContact CB-CE1 4.3Å; E192-Y238 HydrophobicContact CG-CE1 4.25Å; I195-Y238 HydrophobicContact CD1-CD2 4.46Å; I195-Y238 HydrophobicContact CD1-CE1 4.14Å; I195-Y238 HydrophobicContact CD1-CE2 3.81Å; I195-Y238 HydrophobicContact CG2-CD1 4.18Å; I195-Y238 HydrophobicContact CG2-CD2 4.01Å; I195-Y238 HydrophobicContact CG2-CE2 4.4Å; I195-Y238 HydrophobicContact CG2-CG 3.91Å; L230-Y238 HydrophobicContact CD1-CD2 4.34Å; L230-Y238 HydrophobicContact CD1-CE2 3.97Å; E234-Y238 WeakPolarHBondContact O-CD2 3.28Å; E234-Y238 PolarHBondContact O-N 3.3Å; I235-Y238 PolarHBondContact O-N 3.14Å; I235-Y238 VanDerWaalsContact O-N 3.12Å; D236-Y238 VanDerWaalsContact C-N 3.28Å; D236-Y238 PolarHBondContact O-N 2.71Å; Y238-A241 PolarHBondContact O-N 2.97Å; Y238-L242 WeakPolarHBondContact O-CB 3.5Å; Y238-L242 WeakPolarHBondContact O-CG 3.4Å; Y238-L242 PolarHBondContact O-N 2.88Å
239	L	95.8	Very high	92.4	Very high	26 Å²	26	73.1 Å²	73.1	14%	0.136	39%	0.388	C	S	.	.	H	α-helix	trans	-66.2	-43.4	176.5	-69.9	170.4	0	0	0	111.5	I199 F210 P212 L215 I235 D236 L242 S243	I199-L239 HydrophobicContact CG2-CD2 3.73Å; F210-L239 HydrophobicContact CB-CD2 4.49Å; P212-L239 HydrophobicContact CB-CD1 4.41Å; P212-L239 HydrophobicContact CG-CD1 3.97Å; L215-L239 HydrophobicContact CD1-CD2 4.41Å; I235-L239 HydrophobicContact CG2-CD1 3.93Å; I235-L239 HydrophobicContact CG2-CG 4.31Å; I235-L239 WeakPolarHBondContact O-CG 3.22Å; I235-L239 PolarHBondContact O-N 2.86Å; D236-L239 PolarHBondContact O-N 3.2Å; D236-L239 VanDerWaalsContact O-N 3.1Å; L239-L242 WeakPolarHBondContact O-CB 3.45Å; L239-L242 PolarHBondContact O-N 2.9Å; L239-S243 PolarHBondContact O-N 3.28Å; L239-S243 VanDerWaalsContact O-N 3.09Å
240	V	95.1	Very high	92	Very high	63 Å²	63	72.9 Å²	72.9	38%	0.382	39%	0.388	S	S	.	.	H	α-helix	trans	-61.8	-48.4	174.5	174.3	0	0	0	0	110.5	D236 L242 S243 E244	D236-V240 WeakPolarHBondContact O-CG2 3.49Å; D236-V240 PolarHBondContact O-N 3.03Å; V240-L242 PolarHBondContact O-N 3.27Å; V240-S243 PolarHBondContact O-N 3.4Å; V240-S243 PolarHBondContact O-OG 3.36Å; V240-E244 PolarHBondContact O-N 3.09Å; V240-E244 VanDerWaalsContact O-N 3.11Å
241	A	92.6	Very high	91.6	Very high	26 Å²	26	76.6 Å²	76.6	22%	0.215	41%	0.408	C	S	.	.	H	α-helix	trans	-61.5	-30.9	178.8	0	0	0	0	0	113.5	A237 Y238 R245	A237-A241 WeakPolarHBondContact O-CB 3.47Å; A237-A241 PolarHBondContact O-N 3.41Å; Y238-A241 PolarHBondContact O-N 2.97Å; A241-R245 WeakPolarHBondContact O-CG 3.25Å
242	L	91.3	Very high	91.2	Very high	24 Å²	24	78.5 Å²	78.5	13%	0.126	41%	0.412	C	S	.	.	H	α-helix	trans	-67.6	-45.8	171.9	-81.7	170.2	0	0	0	111.3	E196 I199 S200 Y238 L239 V240 E244 R245 E246	E196-L242 HydrophobicContact CB-CD2 3.75Å; E196-L242 HydrophobicContact CB-CG 4.32Å; E196-L242 HydrophobicContact CG-CD2 3.91Å; E196-L242 HydrophobicContact CG-CG 4.08Å; I199-L242 HydrophobicContact CB-CD1 3.92Å; I199-L242 HydrophobicContact CG2-CD1 3.66Å; S200-L242 WeakPolarHBondContact OG-CD2 3.27Å; Y238-L242 WeakPolarHBondContact O-CB 3.5Å; Y238-L242 WeakPolarHBondContact O-CG 3.4Å; Y238-L242 PolarHBondContact O-N 2.88Å; L239-L242 WeakPolarHBondContact O-CB 3.45Å; L239-L242 PolarHBondContact O-N 2.9Å; V240-L242 PolarHBondContact O-N 3.27Å; L242-E244 VanDerWaalsContact C-N 3.27Å; L242-E244 PolarHBondContact O-N 2.64Å; L242-R245 PolarHBondContact O-N 2.87Å; L242-R245 VanDerWaalsContact O-N 3.16Å; L242-E246 PolarHBondContact O-N 2.61Å
243	S	88.8	Confident	90.8	Very high	75 Å²	75	76.5 Å²	76.5	52%	0.524	41%	0.406	S	S	.	.	H	α-helix	trans	-64.6	-27.8	-179.4	71.6	0	0	0	0	113.9	L239 V240 R245	L239-S243 PolarHBondContact O-N 3.28Å; L239-S243 VanDerWaalsContact O-N 3.09Å; V240-S243 PolarHBondContact O-N 3.4Å; V240-S243 PolarHBondContact O-OG 3.36Å; S243-R245 VanDerWaalsContact C-N 3.32Å
244	E	86.1	Confident	90.2	Very high	156 Å²	156	75.6 Å²	75.6	73%	0.729	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-14	177.5	-69.2	-178.2	166.2	0	0	113.7	V240 L242	V240-E244 PolarHBondContact O-N 3.09Å; V240-E244 VanDerWaalsContact O-N 3.11Å; L242-E244 VanDerWaalsContact C-N 3.27Å; L242-E244 PolarHBondContact O-N 2.64Å
245	R	78.7	Confident	89.6	Confident	161 Å²	161	76.8 Å²	76.8	61%	0.608	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-15.2	-178.5	-69.2	-176.2	-170.6	169.1	18.8	113.8	E196 A241 L242 S243	E196-R245 IonicContact OE1-CZ 3.64Å; E196-R245 IonicContact OE1-NH1 2.77Å; E196-R245 PolarHBondContact OE1-NH1 3.3Å; E196-R245 VanDerWaalsContact OE1-NH1 3.1Å; E196-R245 IonicContact OE1-NH2 2.76Å; E196-R245 PolarHBondContact OE1-NH2 3.21Å; E196-R245 IonicContact OE2-CZ 3.18Å; E196-R245 IonicContact OE2-NH1 3.79Å; E196-R245 PolarHBondContact OE2-NH1 3.46Å; E196-R245 IonicContact OE2-NH2 2.96Å; A241-R245 WeakPolarHBondContact O-CG 3.25Å; L242-R245 PolarHBondContact O-N 2.87Å; L242-R245 VanDerWaalsContact O-N 3.16Å; S243-R245 VanDerWaalsContact C-N 3.32Å
246	E	57.8	Low	88.9	Confident	209 Å²	209	83.4 Å²	83.4	98%	0.977	43%	0.433	S	S	*	.			trans	-84.4	0	173	-67.9	-168.6	158.8	0	0	111.5	L242	L242-E246 PolarHBondContact O-N 2.61Å

Retrieved 246 of 246 residues in 104.2 ms (Link to these results)

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