A0A096NMW0_PAPAN 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 (Q3ZCK9), UniProt , Accession A0A096NMW0, Species PAPAN (Papio anubis, Olive baboon), Gene PSMA4, Length 261 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	58.2	Low	80.4	Confident	190 Å²	190	101.7 Å²	101.7	94%	0.936	47%	0.471	S	S	*	.				0	-35	0	-142.2	177.3	-80.2	0	0	111.8	R3 R4	M1-R3 PolarHBondContact O-N 3.03Å; M1-R4 PolarHBondContact O-N 3.11Å
2	S	62.6	Low	81.4	Confident	60 Å²	60	103.8 Å²	103.8	42%	0.42	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-50.5	-43.4	179	52.6	0	0	0	0	115.6	R4 Y5 D6	S2-R4 PolarHBondContact O-N 3.15Å; S2-Y5 PolarHBondContact O-N 3.08Å; S2-D6 PolarHBondContact O-N 2.95Å
3	R	72.2	Confident	82.2	Confident	214 Å²	214	96.4 Å²	96.4	81%	0.808	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-53.6	-17.2	-177.9	-76.2	-168.5	-176	176.6	1.9	116.4	M1 D6	M1-R3 PolarHBondContact O-N 3.03Å; R3-D6 WeakPolarHBondContact CA-OD1 3.42Å; R3-D6 VanDerWaalsContact O-OD1 3.04Å
4	R	81.5	Confident	83	Confident	195 Å²	195	95.4 Å²	95.4	74%	0.736	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-80.7	-29.7	177.4	-69.9	-171.8	-170.5	178.2	3.5	112.5	M1 S2	M1-R4 PolarHBondContact O-N 3.11Å; S2-R4 PolarHBondContact O-N 3.15Å
5	Y	87.7	Confident	83.7	Confident	70 Å²	70	97.3 Å²	97.3	28%	0.275	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-13.2	-171.5	-56.9	-80.3	0	0	0	112.8	S2 I11 F12 P14	S2-Y5 PolarHBondContact O-N 3.08Å; Y5-I11 HydrophobicContact CD1-CG2 3.82Å; Y5-F12 WeakPolarHBondContact CD1-O 3.39Å; Y5-P14 HydrophobicContact CD2-CG 4.42Å; Y5-P14 HydrophobicContact CE1-CG 4.23Å; Y5-P14 HydrophobicContact CE2-CG 3.72Å
6	D	86.2	Confident	84.2	Confident	29 Å²	29	94.2 Å²	94.2	16%	0.155	46%	0.462	C	S	.	.	S	Bend	trans	-88.5	-6.8	178.5	66.9	-4.2	0	0	0	113.9	S2 R3 R8 Y19 Q20 Y23	S2-D6 PolarHBondContact O-N 2.95Å; R3-D6 WeakPolarHBondContact CA-OD1 3.42Å; R3-D6 VanDerWaalsContact O-OD1 3.04Å; D6-R8 VanDerWaalsContact C-N 3.26Å; D6-R8 PolarHBondContact O-N 3.3Å; D6-Y19 HydrophobicContact CB-CD2 4.08Å; D6-Y19 HydrophobicContact CB-CG 4.43Å; D6-Q20 PolarHBondContact O-NE2 3.46Å; D6-Y23 HydrophobicContact CB-CE2 3.78Å; D6-Y23 PolarHBondContact OD2-OH 3.42Å
7	S	83.8	Confident	84.8	Confident	84 Å²	84	95.6 Å²	95.6	59%	0.587	46%	0.461	S	S	*	.	S	Bend	trans	-69.8	-17.2	-177	64.8	0	0	0	0	115
8	R	86.5	Confident	85.3	Confident	163 Å²	163	92.1 Å²	92.1	62%	0.615	45%	0.445	S	S	*	.	S	Bend	trans	-136.2	149.4	-179.1	-55.6	-168.1	-170.5	176.8	-4	110.4	D6 T10 I11	D6-R8 VanDerWaalsContact C-N 3.26Å; D6-R8 PolarHBondContact O-N 3.3Å; R8-T10 VanDerWaalsContact C-N 3.26Å; R8-T10 PolarHBondContact O-N 3Å; R8-I11 HydrophobicContact CB-CB 4.42Å; R8-I11 HydrophobicContact CB-CD1 3.85Å; R8-I11 HydrophobicContact CB-CG1 3.92Å; R8-I11 HydrophobicContact CG-CD1 3.82Å; R8-I11 HydrophobicContact CG-CG1 4.41Å
9	T	86.4	Confident	85.8	Confident	11 Å²	11	88.7 Å²	88.7	7%	0.067	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-24	177.2	47.3	0	0	0	0	113.9	Q20 F124 K127 P129	T9-Q20 HydrophobicContact CG2-CB 3.99Å; T9-Q20 HydrophobicContact CG2-CG 4.14Å; T9-F124 PolarHBondContact OG1-O 3.21Å; T9-K127 WeakPolarHBondContact CG2-O 3.42Å; T9-P129 HydrophobicContact CG2-CG 4.46Å
10	T	88.6	Confident	86.2	Confident	53 Å²	53	87.1 Å²	87.1	33%	0.325	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	1.9	-170.3	63.8	0	0	0	0	114	R8 Q123	R8-T10 VanDerWaalsContact C-N 3.26Å; R8-T10 PolarHBondContact O-N 3Å; T10-Q123 WeakPolarHBondContact CG2-O 3.48Å
11	I	90.8	Very high	86.6	Confident	50 Å²	50	83.5 Å²	83.5	26%	0.256	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-97.8	119.8	-178.2	-68.1	179.4	0	0	0	108.8	Y5 R8	Y5-I11 HydrophobicContact CD1-CG2 3.82Å; R8-I11 HydrophobicContact CB-CB 4.42Å; R8-I11 HydrophobicContact CB-CD1 3.85Å; R8-I11 HydrophobicContact CB-CG1 3.92Å; R8-I11 HydrophobicContact CG-CD1 3.82Å; R8-I11 HydrophobicContact CG-CG1 4.41Å
12	F	91.8	Very high	88.4	Confident	127 Å²	127	76.7 Å²	76.7	56%	0.557	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-73.6	141.1	168.9	-72.4	-85.3	0	0	0	111	Y5 G16 R17 L18	Y5-F12 WeakPolarHBondContact CD1-O 3.39Å; F12-G16 WeakPolarHBondContact CD1-O 3.4Å; F12-R17 CarbonylContact C-O 3.58Å; F12-R17 WeakPolarHBondContact CA-O 3.37Å; F12-L18 HydrophobicContact CD1-CD2 3.8Å; F12-L18 HydrophobicContact CD1-CG 4.09Å; F12-L18 HydrophobicContact CD2-CD2 4.17Å; F12-L18 HydrophobicContact CE1-CD1 4.31Å; F12-L18 HydrophobicContact CE1-CD2 3.84Å; F12-L18 HydrophobicContact CE1-CG 3.81Å; F12-L18 HydrophobicContact CE2-CD2 4.19Å; F12-L18 HydrophobicContact CG-CD2 3.98Å; F12-L18 HydrophobicContact CZ-CD1 4.32Å; F12-L18 HydrophobicContact CZ-CD2 4.04Å; F12-L18 HydrophobicContact CZ-CG 4.21Å
13	S	92.5	Very high	89.9	Confident	7 Å²	7	78.7 Å²	78.7	5%	0.049	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-69.1	166.5	165.8	85.5	0	0	0	0	111.2	E15 G16 R17 Y19	S13-E15 VanDerWaalsContact CB-OE2 3.24Å; S13-E15 WeakPolarHBondContact CB-OE2 3.29Å; S13-E15 PolarHBondContact O-N 3.37Å; S13-E15 VanDerWaalsContact O-N 3.1Å; S13-E15 PolarHBondContact OG-N 2.94Å; S13-E15 PolarHBondContact OG-OE2 3.45Å; S13-G16 PolarHBondContact O-N 2.93Å; S13-R17 PolarHBondContact N-O 3.22Å; S13-R17 PolarHBondContact OG-N 3.17Å; S13-Y19 VanDerWaalsContact CB-CE2 3.46Å; S13-Y19 VanDerWaalsContact CB-OH 3.32Å; S13-Y19 WeakPolarHBondContact CB-OH 3.32Å; S13-Y19 PolarHBondContact OG-OH 3.26Å
14	P	93.2	Very high	91.1	Very high	83 Å²	83	69 Å²	69	54%	0.539	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-25	172.2	-26.2	36.7	0	0	0	113.8	Y5 G16	Y5-P14 HydrophobicContact CD2-CG 4.42Å; Y5-P14 HydrophobicContact CE1-CG 4.23Å; Y5-P14 HydrophobicContact CE2-CG 3.72Å; P14-G16 VanDerWaalsContact C-N 3.34Å
15	E	93.1	Very high	91.7	Very high	123 Å²	123	63.8 Å²	63.8	58%	0.575	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	2.6	177.2	-52.7	73.7	-156.6	0	0	113.2	S13 R17 Y19	S13-E15 VanDerWaalsContact CB-OE2 3.24Å; S13-E15 WeakPolarHBondContact CB-OE2 3.29Å; S13-E15 PolarHBondContact O-N 3.37Å; S13-E15 VanDerWaalsContact O-N 3.1Å; S13-E15 PolarHBondContact OG-N 2.94Å; S13-E15 PolarHBondContact OG-OE2 3.45Å; E15-R17 HydrophobicContact CB-CG 4.32Å; E15-Y19 PolarHBondContact OE2-OH 2.96Å; E15-Y19 VanDerWaalsContact OE2-OH 3.05Å
16	G	92.9	Very high	92.1	Very high	48 Å²	48	66.7 Å²	66.7	50%	0.495	34%	0.335	S	S	.	.	S	Bend	trans	78.9	25.7	180	0	0	0	0	0	114.5	F12 S13 P14	F12-G16 WeakPolarHBondContact CD1-O 3.4Å; S13-G16 PolarHBondContact O-N 2.93Å; P14-G16 VanDerWaalsContact C-N 3.34Å
17	R	93.7	Very high	92.4	Very high	119 Å²	119	67.7 Å²	67.7	45%	0.449	35%	0.346	S	S	.	.			trans	-106.1	150.6	-176.4	-61.4	169.1	67.3	-177.5	3.4	112.5	F12 S13 E15 Y19 E22	F12-R17 CarbonylContact C-O 3.58Å; F12-R17 WeakPolarHBondContact CA-O 3.37Å; S13-R17 PolarHBondContact N-O 3.22Å; S13-R17 PolarHBondContact OG-N 3.17Å; E15-R17 HydrophobicContact CB-CG 4.32Å; R17-Y19 HydrophobicContact CB-CD1 4.28Å; R17-Y19 HydrophobicContact CB-CE1 4.02Å; R17-E22 WeakPolarHBondContact CB-OE1 3.49Å; R17-E22 IonicContact CZ-OE1 2.64Å; R17-E22 VanDerWaalsContact CZ-OE1 3.27Å; R17-E22 IonicContact CZ-OE2 3.31Å; R17-E22 VanDerWaalsContact CZ-OE2 3.24Å; R17-E22 IonicContact NE-OE1 3.05Å; R17-E22 PolarHBondContact NE-OE1 3.46Å; R17-E22 IonicContact NE-OE2 3.55Å; R17-E22 PolarHBondContact NE-OE2 3.03Å; R17-E22 IonicContact NH2-OE1 2.65Å; R17-E22 PolarHBondContact NH2-OE1 2.9Å; R17-E22 IonicContact NH2-OE2 3.49Å; R17-E22 PolarHBondContact NH2-OE2 2.88Å
18	L	93.9	Very high	93	Very high	31 Å²	31	64 Å²	64	16%	0.162	32%	0.32	C	S	.	.			trans	-104.9	92.2	171.6	-65.6	-179.9	0	0	0	109.9	F12 Q20 V21 E22	F12-L18 HydrophobicContact CD1-CD2 3.8Å; F12-L18 HydrophobicContact CD1-CG 4.09Å; F12-L18 HydrophobicContact CD2-CD2 4.17Å; F12-L18 HydrophobicContact CE1-CD1 4.31Å; F12-L18 HydrophobicContact CE1-CD2 3.84Å; F12-L18 HydrophobicContact CE1-CG 3.81Å; F12-L18 HydrophobicContact CE2-CD2 4.19Å; F12-L18 HydrophobicContact CG-CD2 3.98Å; F12-L18 HydrophobicContact CZ-CD1 4.32Å; F12-L18 HydrophobicContact CZ-CD2 4.04Å; F12-L18 HydrophobicContact CZ-CG 4.21Å; L18-Q20 PolarHBondContact O-N 2.65Å; L18-Q20 VanDerWaalsContact O-N 3.12Å; L18-V21 HydrophobicContact CB-CB 4.21Å; L18-V21 HydrophobicContact CB-CG2 3.9Å; L18-V21 HydrophobicContact CD1-CG2 4.23Å; L18-V21 WeakPolarHBondContact O-CB 3.5Å; L18-V21 PolarHBondContact O-N 3.4Å; L18-E22 PolarHBondContact O-N 2.99Å
19	Y	94.6	Very high	93.4	Very high	29 Å²	29	57.6 Å²	57.6	11%	0.114	31%	0.305	C	S	.	.	H	α-helix	trans	-58	-31.4	-173.1	-65.3	-36.9	0	0	0	114.3	D6 S13 E15 R17 V21 E22 Y23	D6-Y19 HydrophobicContact CB-CD2 4.08Å; D6-Y19 HydrophobicContact CB-CG 4.43Å; S13-Y19 VanDerWaalsContact CB-CE2 3.46Å; S13-Y19 VanDerWaalsContact CB-OH 3.32Å; S13-Y19 WeakPolarHBondContact CB-OH 3.32Å; S13-Y19 PolarHBondContact OG-OH 3.26Å; E15-Y19 PolarHBondContact OE2-OH 2.96Å; E15-Y19 VanDerWaalsContact OE2-OH 3.05Å; R17-Y19 HydrophobicContact CB-CD1 4.28Å; R17-Y19 HydrophobicContact CB-CE1 4.02Å; Y19-V21 VanDerWaalsContact C-N 3.33Å; Y19-V21 PolarHBondContact O-N 3.33Å; Y19-E22 WeakPolarHBondContact CD1-OE2 3.3Å; Y19-E22 PolarHBondContact O-N 2.94Å; Y19-Y23 WeakPolarHBondContact O-CD1 3.07Å; Y19-Y23 WeakPolarHBondContact O-CD2 3.39Å; Y19-Y23 PolarHBondContact O-N 3.27Å
20	Q	93.7	Very high	93.7	Very high	56 Å²	56	63.8 Å²	63.8	26%	0.262	33%	0.332	S	S	.	.	H	α-helix	trans	-66.4	-32.8	175.8	-72.5	-62.8	-44.2	0	0	113.5	D6 T9 L18 A24 P129	D6-Q20 PolarHBondContact O-NE2 3.46Å; T9-Q20 HydrophobicContact CG2-CB 3.99Å; T9-Q20 HydrophobicContact CG2-CG 4.14Å; L18-Q20 PolarHBondContact O-N 2.65Å; L18-Q20 VanDerWaalsContact O-N 3.12Å; Q20-A24 PolarHBondContact O-N 2.93Å; Q20-P129 HydrophobicContact CB-CG 4.43Å
21	V	95.3	Very high	93.9	Very high	11 Å²	11	61.8 Å²	61.8	7%	0.067	32%	0.322	C	S	.	.	H	α-helix	trans	-69.3	-41.6	173.9	175.6	0	0	0	0	109.6	L18 Y19 A24 M25 T122 P129 P152	L18-V21 HydrophobicContact CB-CB 4.21Å; L18-V21 HydrophobicContact CB-CG2 3.9Å; L18-V21 HydrophobicContact CD1-CG2 4.23Å; L18-V21 WeakPolarHBondContact O-CB 3.5Å; L18-V21 PolarHBondContact O-N 3.4Å; Y19-V21 VanDerWaalsContact C-N 3.33Å; Y19-V21 PolarHBondContact O-N 3.33Å; V21-A24 WeakPolarHBondContact O-CB 3.45Å; V21-A24 PolarHBondContact O-N 3.24Å; V21-A24 VanDerWaalsContact O-N 3.15Å; V21-M25 HydrophobicContact CG1-SD 4.46Å; V21-M25 WeakPolarHBondContact O-CG 3.12Å; V21-M25 PolarHBondContact O-N 2.98Å; V21-T122 HydrophobicContact CG2-CG2 3.71Å; V21-P129 HydrophobicContact CG2-CG 3.96Å; V21-P152 HydrophobicContact CG1-CB 4.47Å
22	E	95.4	Very high	94	Very high	48 Å²	48	59.6 Å²	59.6	22%	0.224	31%	0.311	C	S	.	.	H	α-helix	trans	-66	-41.4	178.9	-60.8	179.7	169.8	0	0	111.9	R17 L18 Y19 A24 M25 E26	R17-E22 WeakPolarHBondContact CB-OE1 3.49Å; R17-E22 IonicContact CZ-OE1 2.64Å; R17-E22 VanDerWaalsContact CZ-OE1 3.27Å; R17-E22 IonicContact CZ-OE2 3.31Å; R17-E22 VanDerWaalsContact CZ-OE2 3.24Å; R17-E22 IonicContact NE-OE1 3.05Å; R17-E22 PolarHBondContact NE-OE1 3.46Å; R17-E22 IonicContact NE-OE2 3.55Å; R17-E22 PolarHBondContact NE-OE2 3.03Å; R17-E22 IonicContact NH2-OE1 2.65Å; R17-E22 PolarHBondContact NH2-OE1 2.9Å; R17-E22 IonicContact NH2-OE2 3.49Å; R17-E22 PolarHBondContact NH2-OE2 2.88Å; L18-E22 PolarHBondContact O-N 2.99Å; Y19-E22 WeakPolarHBondContact CD1-OE2 3.3Å; Y19-E22 PolarHBondContact O-N 2.94Å; E22-A24 PolarHBondContact O-N 3.4Å; E22-M25 CarbonylContact O-C 3.52Å; E22-M25 WeakPolarHBondContact O-CA 3.35Å; E22-M25 WeakPolarHBondContact O-CB 3.36Å; E22-M25 PolarHBondContact O-N 3.04Å; E22-E26 WeakPolarHBondContact O-CG 3.15Å; E22-E26 PolarHBondContact O-N 2.96Å
23	Y	94.9	Very high	94.2	Very high	101 Å²	101	53.5 Å²	53.5	40%	0.396	28%	0.284	S	S	.	.	H	α-helix	trans	-60.1	-36.1	173	-62.3	-19.9	0	0	0	112.2	D6 Y19 A27	D6-Y23 HydrophobicContact CB-CE2 3.78Å; D6-Y23 PolarHBondContact OD2-OH 3.42Å; Y19-Y23 WeakPolarHBondContact O-CD1 3.07Å; Y19-Y23 WeakPolarHBondContact O-CD2 3.39Å; Y19-Y23 PolarHBondContact O-N 3.27Å; Y23-A27 WeakPolarHBondContact O-CB 3.42Å; Y23-A27 PolarHBondContact O-N 3.31Å
24	A	95.7	Very high	94.4	Very high	12 Å²	12	53.2 Å²	53.2	10%	0.099	28%	0.282	C	S	.	.	H	α-helix	trans	-66.9	-38.5	173.1	0	0	0	0	0	111.9	Q20 V21 E22 A27 I28 P129 P152	Q20-A24 PolarHBondContact O-N 2.93Å; V21-A24 WeakPolarHBondContact O-CB 3.45Å; V21-A24 PolarHBondContact O-N 3.24Å; V21-A24 VanDerWaalsContact O-N 3.15Å; E22-A24 PolarHBondContact O-N 3.4Å; A24-A27 PolarHBondContact O-N 3.46Å; A24-I28 WeakPolarHBondContact O-CD1 3.03Å; A24-I28 WeakPolarHBondContact O-CG1 3.4Å; A24-I28 PolarHBondContact O-N 3.29Å; A24-P129 HydrophobicContact CB-CB 4.24Å; A24-P152 HydrophobicContact CB-CB 3.81Å; A24-P152 HydrophobicContact CB-CG 3.84Å
25	M	95.6	Very high	94.6	Very high	84 Å²	84	49.2 Å²	49.2	41%	0.414	26%	0.256	S	S	.	.	H	α-helix	trans	-65.8	-42	174.2	-66.7	-179.5	77.3	0	0	112.4	V21 E22 A27 I28 G29 P152	V21-M25 HydrophobicContact CG1-SD 4.46Å; V21-M25 WeakPolarHBondContact O-CG 3.12Å; V21-M25 PolarHBondContact O-N 2.98Å; E22-M25 CarbonylContact O-C 3.52Å; E22-M25 WeakPolarHBondContact O-CA 3.35Å; E22-M25 WeakPolarHBondContact O-CB 3.36Å; E22-M25 PolarHBondContact O-N 3.04Å; M25-A27 VanDerWaalsContact C-N 3.34Å; M25-A27 PolarHBondContact O-N 2.95Å; M25-I28 WeakPolarHBondContact O-CB 3.45Å; M25-I28 PolarHBondContact O-N 3Å; M25-I28 VanDerWaalsContact O-N 3.13Å; M25-G29 PolarHBondContact O-N 3.45Å; M25-G29 VanDerWaalsContact O-N 3.14Å; M25-P152 HydrophobicContact CG-CG 4.25Å
26	E	95	Very high	94.9	Very high	132 Å²	132	43.4 Å²	43.4	62%	0.617	23%	0.229	S	C	*	.	H	α-helix	trans	-62.1	-41.6	175.1	-69.3	-55.8	138.5	0	0	111.4	E22 I28 G29 H30	E22-E26 WeakPolarHBondContact O-CG 3.15Å; E22-E26 PolarHBondContact O-N 2.96Å; E26-I28 PolarHBondContact O-N 2.81Å; E26-G29 WeakPolarHBondContact O-CA 3.25Å; E26-G29 PolarHBondContact O-N 3.5Å; E26-H30 PolarHBondContact O-CD2 3.42Å
27	A	93.8	Very high	95.2	Very high	49 Å²	49	41.1 Å²	41.1	41%	0.405	21%	0.206	S	C	.	.	H	α-helix	trans	-60.7	-33.3	175	0	0	0	0	0	112.6	Y23 A24 M25 G29 H30	Y23-A27 WeakPolarHBondContact O-CB 3.42Å; Y23-A27 PolarHBondContact O-N 3.31Å; A24-A27 PolarHBondContact O-N 3.46Å; M25-A27 VanDerWaalsContact C-N 3.34Å; M25-A27 PolarHBondContact O-N 2.95Å; A27-G29 VanDerWaalsContact C-N 3.34Å; A27-H30 PolarHBondContact O-N 3.02Å
28	I	96	Very high	95.4	Very high	7 Å²	7	37 Å²	37	4%	0.036	19%	0.193	C	C	.	.	H	α-helix	trans	-69.2	-34.1	174.9	-67.7	158.8	0	0	0	111.1	A24 M25 E26 H30 A31 A77 S133 P152 G165	A24-I28 WeakPolarHBondContact O-CD1 3.03Å; A24-I28 WeakPolarHBondContact O-CG1 3.4Å; A24-I28 PolarHBondContact O-N 3.29Å; M25-I28 WeakPolarHBondContact O-CB 3.45Å; M25-I28 PolarHBondContact O-N 3Å; M25-I28 VanDerWaalsContact O-N 3.13Å; E26-I28 PolarHBondContact O-N 2.81Å; I28-H30 PolarHBondContact O-N 3.47Å; I28-H30 VanDerWaalsContact O-N 3.11Å; I28-A31 VanDerWaalsContact O-CB 3.27Å; I28-A31 WeakPolarHBondContact O-CB 3.36Å; I28-A31 PolarHBondContact O-N 2.98Å; I28-A77 HydrophobicContact CG2-CB 4.05Å; I28-S133 VanDerWaalsContact CD1-N 3.33Å; I28-P152 HydrophobicContact CD1-CG 3.39Å; I28-G165 WeakPolarHBondContact O-CA 3.39Å
29	G	94.5	Very high	95.7	Very high	28 Å²	28	35.8 Å²	35.8	29%	0.289	19%	0.186	S	C	.	.	H	α-helix	trans	-56.2	-25.1	172.8	0	0	0	0	0	113.2	M25 E26 A27 N166	M25-G29 PolarHBondContact O-N 3.45Å; M25-G29 VanDerWaalsContact O-N 3.14Å; E26-G29 WeakPolarHBondContact O-CA 3.25Å; E26-G29 PolarHBondContact O-N 3.5Å; A27-G29 VanDerWaalsContact C-N 3.34Å; G29-N166 WeakPolarHBondContact O-CA 3.26Å; G29-N166 WeakPolarHBondContact O-CB 3.27Å; G29-N166 PolarHBondContact O-N 3.14Å; G29-N166 PolarHBondContact O-OD1 3.35Å
30	H	92.1	Very high	95.8	Very high	141 Å²	141	38.8 Å²	38.8	65%	0.653	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-1.2	174.4	-64.8	-64.6	0	0	0	114.4	E26 A27 I28 R50	E26-H30 PolarHBondContact O-CD2 3.42Å; A27-H30 PolarHBondContact O-N 3.02Å; I28-H30 PolarHBondContact O-N 3.47Å; I28-H30 VanDerWaalsContact O-N 3.11Å; H30-R50 PolarHBondContact O-NH1 3.03Å
31	A	93.3	Very high	95.9	Very high	12 Å²	12	40 Å²	40	10%	0.099	21%	0.213	C	C	.	.	S	Bend	trans	-82.8	163.4	177.7	0	0	0	0	0	112.3	I28 R50 A77 N166	I28-A31 VanDerWaalsContact O-CB 3.27Å; I28-A31 WeakPolarHBondContact O-CB 3.36Å; I28-A31 PolarHBondContact O-N 2.98Å; A31-R50 PolarHBondContact O-NH2 3.08Å; A31-A77 HydrophobicContact CB-CB 4.2Å; A31-N166 VanDerWaalsContact O-CB 3.25Å; A31-N166 WeakPolarHBondContact O-CB 3.31Å; A31-N166 PolarHBondContact O-N 2.93Å
32	G	92.3	Very high	96	Very high	3 Å²	3	39.4 Å²	39.4	3%	0.031	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-55.7	139.5	172.6	0	0	0	0	0	111.9
33	T	95.8	Very high	96.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-58	135.2	-179.5	-47.3	0	0	0	0	110.9	A47 E48 C163 N166 L197	T33-A47 CarbonylContact O-C 3.55Å; T33-A47 WeakPolarHBondContact O-CA 3.45Å; T33-E48 WeakPolarHBondContact CB-OE2 3.35Å; T33-E48 PolarHBondContact N-OE2 2.99Å; T33-E48 WeakPolarHBondContact O-CB 2.96Å; T33-E48 PolarHBondContact O-N 3.44Å; T33-E48 PolarHBondContact OG1-OE2 2.86Å; T33-C163 WeakPolarHBondContact CG2-SG 3.34Å; T33-N166 PolarHBondContact OG1-O 3.13Å; T33-L197 HydrophobicContact CG2-CD2 4.12Å
34	C	97.8	Very high	96.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.9	168	-66.2	0	0	0	0	109	A46 V76 L135 C163 I164	C34-A46 CarbonylContact C-O 3.57Å; C34-A46 WeakPolarHBondContact CA-O 3.33Å; C34-V76 PolarHBondContact SG-O 3.29Å; C34-L135 HydrophobicContact CB-CD1 4.4Å; C34-C163 CarbonylContact O-C 3.59Å; C34-C163 VanDerWaalsContact O-CA 3.29Å; C34-C163 WeakPolarHBondContact O-CA 3.35Å; C34-C163 PolarHBondContact O-SG 3.45Å; C34-I164 HydrophobicContact CB-CD1 4.26Å; C34-I164 HydrophobicContact CB-CG1 3.77Å; C34-I164 PolarHBondContact N-O 3.28Å; C34-I164 PolarHBondContact O-N 3.03Å
35	L	98.2	Very high	96.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	149.4	178.5	86.1	92.5	0	0	0	110.5	I37 L44 L45 A46 L135 T162 C163 A193 L197	L35-I37 HydrophobicContact CD1-CD1 3.64Å; L35-I37 HydrophobicContact CD1-CG1 3.58Å; L35-L44 HydrophobicContact CD1-CD1 3.96Å; L35-L45 CarbonylContact O-C 3.57Å; L35-L45 WeakPolarHBondContact O-CA 3.44Å; L35-A46 HydrophobicContact CD1-CB 4.49Å; L35-A46 HydrophobicContact CD2-CB 3.93Å; L35-A46 HydrophobicContact CG-CB 3.9Å; L35-A46 PolarHBondContact N-O 3.47Å; L35-A46 PolarHBondContact O-N 2.64Å; L35-L135 VanDerWaalsContact C-CD1 3.47Å; L35-T162 WeakPolarHBondContact CA-O 2.84Å; L35-C163 HydrophobicContact CB-CB 4.25Å; L35-A193 HydrophobicContact CD1-CB 3.86Å; L35-A193 HydrophobicContact CD2-CB 4.03Å; L35-L197 HydrophobicContact CD2-CD1 3.95Å; L35-L197 HydrophobicContact CD2-CD2 3.78Å; L35-L197 HydrophobicContact CD2-CG 3.54Å
36	G	98.8	Very high	96.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141.1	171.3	0	0	0	0	0	111	L44 L147 A161 T162	G36-L44 VanDerWaalsContact CA-O 3.27Å; G36-L44 WeakPolarHBondContact CA-O 3.44Å; G36-L147 VanDerWaalsContact C-CD2 3.45Å; G36-L147 WeakPolarHBondContact O-CD2 3.14Å; G36-A161 VanDerWaalsContact O-CA 3.28Å; G36-A161 WeakPolarHBondContact O-CA 3.43Å; G36-T162 PolarHBondContact N-O 3.47Å; G36-T162 PolarHBondContact O-N 3.19Å
37	I	98.9	Very high	96.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	126.7	176.9	-56.8	170.9	0	0	0	109.2	L35 V43 L44 A161 L175 Y179 M184 A189 L192 A193	L35-I37 HydrophobicContact CD1-CD1 3.64Å; L35-I37 HydrophobicContact CD1-CG1 3.58Å; I37-V43 WeakPolarHBondContact O-CG2 3.23Å; I37-L44 HydrophobicContact CB-CD1 4.44Å; I37-L44 HydrophobicContact CB-CD2 4.43Å; I37-L44 HydrophobicContact CB-CG 4.18Å; I37-L44 PolarHBondContact N-O 3.49Å; I37-L44 VanDerWaalsContact N-O 3.13Å; I37-L44 PolarHBondContact O-N 3.12Å; I37-A161 HydrophobicContact CG1-CB 4.2Å; I37-A161 HydrophobicContact CG2-CB 4.43Å; I37-L175 HydrophobicContact CD1-CD2 3.76Å; I37-L175 HydrophobicContact CG1-CD2 3.93Å; I37-Y179 HydrophobicContact CG2-CD2 3.97Å; I37-Y179 HydrophobicContact CG2-CE2 3.8Å; I37-M184 HydrophobicContact CG2-CG 4.34Å; I37-A189 HydrophobicContact CB-CB 4.18Å; I37-A189 WeakPolarHBondContact CD1-O 3.32Å; I37-A189 HydrophobicContact CG2-CB 3.65Å; I37-L192 HydrophobicContact CD1-CB 4.2Å; I37-L192 HydrophobicContact CD1-CD2 4.21Å; I37-L192 HydrophobicContact CD1-CG 4.04Å; I37-A193 HydrophobicContact CD1-CB 4.07Å
38	L	98.6	Very high	96.7	Very high	34 Å²	34	19.8 Å²	19.8	18%	0.178	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	124.9	172.5	-175.7	64.9	0	0	0	110.2	V43 F145 K160 Y179	L38-V43 HydrophobicContact CD1-CB 4Å; L38-V43 HydrophobicContact CD1-CG2 4.09Å; L38-F145 HydrophobicContact CD1-CB 3.49Å; L38-F145 VanDerWaalsContact CD1-CB 3.49Å; L38-F145 WeakPolarHBondContact CD1-O 3.47Å; L38-K160 VanDerWaalsContact CB-O 3.23Å; L38-K160 WeakPolarHBondContact CB-O 3.46Å; L38-K160 PolarHBondContact N-O 3.16Å; L38-Y179 VanDerWaalsContact O-CE2 3.22Å; L38-Y179 WeakPolarHBondContact O-CE2 2.97Å; L38-Y179 PolarHBondContact O-OH 2.91Å
39	A	98.4	Very high	96.4	Very high	4 Å²	4	21.6 Å²	21.6	3%	0.033	12%	0.116	C	C	.	.			trans	-115.1	168.4	171.9	0	0	0	0	0	110.6	D41 G42 M184 T185 L186 A189	A39-D41 VanDerWaalsContact C-N 3.33Å; A39-D41 PolarHBondContact O-N 3.02Å; A39-G42 CarbonylContact C-O 3.57Å; A39-G42 VanDerWaalsContact C-O 3.28Å; A39-G42 VanDerWaalsContact CA-O 3.24Å; A39-G42 WeakPolarHBondContact CA-O 3.43Å; A39-G42 VanDerWaalsContact CB-O 3.28Å; A39-G42 WeakPolarHBondContact CB-O 3.32Å; A39-G42 PolarHBondContact N-O 2.65Å; A39-M184 WeakPolarHBondContact CA-O 3.1Å; A39-M184 HydrophobicContact CB-CG 4.07Å; A39-M184 WeakPolarHBondContact CB-O 3.32Å; A39-T185 VanDerWaalsContact CB-C 3.43Å; A39-L186 HydrophobicContact CB-CB 4.38Å; A39-A189 HydrophobicContact CB-CB 4.22Å
40	N	96.8	Very high	95.8	Very high	93 Å²	93	25.1 Å²	25.1	50%	0.497	12%	0.121	S	C	.	.	S	Bend	trans	-68.6	-33.9	-179.4	-63.3	-23.3	0	0	0	112.5	G182 M184	N40-G182 VanDerWaalsContact ND2-C 3.33Å; N40-G182 PolarHBondContact ND2-O 3.33Å; N40-M184 PolarHBondContact N-O 3.16Å; N40-M184 PolarHBondContact ND2-O 3.27Å
41	D	96.8	Very high	95	Very high	80 Å²	80	24 Å²	24	43%	0.428	12%	0.12	S	C	.	.	S	Bend	trans	-107.1	6.4	-176	60.3	-35	0	0	0	113.1	A39 F145 T185 L186	A39-D41 VanDerWaalsContact C-N 3.33Å; A39-D41 PolarHBondContact O-N 3.02Å; D41-F145 VanDerWaalsContact C-CE2 3.49Å; D41-T185 VanDerWaalsContact OD1-CA 3.26Å; D41-T185 WeakPolarHBondContact OD1-CA 3.41Å; D41-L186 PolarHBondContact OD1-N 3.39Å
42	G	98.3	Very high	94.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.132	C	C	.	.			trans	172.4	-176.1	176.7	0	0	0	0	0	113.7	A39 L216	A39-G42 CarbonylContact C-O 3.57Å; A39-G42 VanDerWaalsContact C-O 3.28Å; A39-G42 VanDerWaalsContact CA-O 3.24Å; A39-G42 WeakPolarHBondContact CA-O 3.43Å; A39-G42 VanDerWaalsContact CB-O 3.28Å; A39-G42 WeakPolarHBondContact CB-O 3.32Å; A39-G42 PolarHBondContact N-O 2.65Å; G42-L216 CarbonylContact C-O 3.6Å; G42-L216 VanDerWaalsContact CA-O 3.25Å; G42-L216 WeakPolarHBondContact CA-O 3.37Å
43	V	98.8	Very high	93.2	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	146.1	174.3	59.5	0	0	0	0	108.7	I37 L38 I137 F145 L147 L216	I37-V43 WeakPolarHBondContact O-CG2 3.23Å; L38-V43 HydrophobicContact CD1-CB 4Å; L38-V43 HydrophobicContact CD1-CG2 4.09Å; V43-I137 HydrophobicContact CB-CB 4.48Å; V43-I137 HydrophobicContact CB-CG2 4.38Å; V43-I137 HydrophobicContact CG1-CB 3.72Å; V43-I137 HydrophobicContact CG1-CG2 4.14Å; V43-I137 HydrophobicContact CG2-CB 3.97Å; V43-I137 HydrophobicContact CG2-CG2 3.43Å; V43-I137 VanDerWaalsContact CG2-CG2 3.43Å; V43-F145 HydrophobicContact CB-CB 4.48Å; V43-F145 HydrophobicContact CG1-CB 4.48Å; V43-F145 HydrophobicContact CG1-CD1 4.17Å; V43-L147 HydrophobicContact CG2-CB 4.19Å; V43-L216 HydrophobicContact CG1-CB 3.81Å; V43-L216 HydrophobicContact CG1-CD1 4.49Å; V43-L216 HydrophobicContact CG1-CD2 4.16Å; V43-L216 HydrophobicContact CG1-CG 4.38Å; V43-L216 PolarHBondContact N-O 3.05Å; V43-L216 PolarHBondContact O-N 3.44Å
44	L	98.7	Very high	92.4	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	154.9	-178.6	73.5	88	0	0	0	112.7	L35 G36 I37 A46 L186 A189 L190 A193 A214 T215	L35-L44 HydrophobicContact CD1-CD1 3.96Å; G36-L44 VanDerWaalsContact CA-O 3.27Å; G36-L44 WeakPolarHBondContact CA-O 3.44Å; I37-L44 HydrophobicContact CB-CD1 4.44Å; I37-L44 HydrophobicContact CB-CD2 4.43Å; I37-L44 HydrophobicContact CB-CG 4.18Å; I37-L44 PolarHBondContact N-O 3.49Å; I37-L44 VanDerWaalsContact N-O 3.13Å; I37-L44 PolarHBondContact O-N 3.12Å; L44-A46 HydrophobicContact CD1-CB 4.41Å; L44-L186 HydrophobicContact CB-CD1 4.2Å; L44-L186 HydrophobicContact CD2-CD1 4.24Å; L44-A189 HydrophobicContact CD2-CB 3.63Å; L44-L190 HydrophobicContact CD2-CB 4.45Å; L44-L190 HydrophobicContact CD2-CD2 3.89Å; L44-L190 HydrophobicContact CD2-CG 3.89Å; L44-A193 HydrophobicContact CD1-CB 3.96Å; L44-A193 HydrophobicContact CD2-CB 4.5Å; L44-A214 CarbonylContact C-O 3.54Å; L44-A214 VanDerWaalsContact CA-O 3.23Å; L44-A214 WeakPolarHBondContact CA-O 3.35Å; L44-A214 WeakPolarHBondContact CB-O 3.41Å; L44-T215 HydrophobicContact CB-CG2 4.15Å
45	L	98.8	Very high	91.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139.5	161.5	-68.6	171.8	0	0	0	108.8	L35 I65 L135 I137 L147 I213 A214	L35-L45 CarbonylContact O-C 3.57Å; L35-L45 WeakPolarHBondContact O-CA 3.44Å; L45-I65 HydrophobicContact CB-CD1 3.98Å; L45-I65 HydrophobicContact CD1-CG2 4.21Å; L45-L135 HydrophobicContact CD2-CB 3.63Å; L45-L135 HydrophobicContact CD2-CD1 4.34Å; L45-I137 HydrophobicContact CD1-CB 4.45Å; L45-I137 HydrophobicContact CD1-CD1 4.01Å; L45-I137 HydrophobicContact CD1-CG1 3.77Å; L45-I137 HydrophobicContact CD1-CG2 4.06Å; L45-I137 HydrophobicContact CD2-CG2 3.68Å; L45-I137 HydrophobicContact CG-CB 4.34Å; L45-I137 HydrophobicContact CG-CD1 3.94Å; L45-I137 HydrophobicContact CG-CG1 4Å; L45-I137 HydrophobicContact CG-CG2 3.5Å; L45-I137 VanDerWaalsContact CG-CG2 3.5Å; L45-L147 HydrophobicContact CD2-CD1 4.47Å; L45-I213 CarbonylContact O-C 3.28Å; L45-I213 WeakPolarHBondContact O-CA 3.49Å; L45-A214 PolarHBondContact N-O 2.81Å; L45-A214 PolarHBondContact O-N 3.35Å
46	A	98.3	Very high	90.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.2	165.4	0	0	0	0	0	109.9	C34 L35 L44 A193 L197 E212 I213	C34-A46 CarbonylContact C-O 3.57Å; C34-A46 WeakPolarHBondContact CA-O 3.33Å; L35-A46 HydrophobicContact CD1-CB 4.49Å; L35-A46 HydrophobicContact CD2-CB 3.93Å; L35-A46 HydrophobicContact CG-CB 3.9Å; L35-A46 PolarHBondContact N-O 3.47Å; L35-A46 PolarHBondContact O-N 2.64Å; L44-A46 HydrophobicContact CD1-CB 4.41Å; A46-A193 HydrophobicContact CB-CB 4.45Å; A46-L197 HydrophobicContact CB-CD1 3.83Å; A46-E212 CarbonylContact C-O 3.57Å; A46-E212 VanDerWaalsContact CA-O 3.26Å; A46-E212 WeakPolarHBondContact CA-O 3.24Å; A46-I213 HydrophobicContact CB-CD1 4.43Å; A46-I213 HydrophobicContact CB-CG1 3.91Å; A46-I213 HydrophobicContact CB-CG2 4.48Å
47	A	96	Very high	89.3	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.9	-173.6	0	0	0	0	0	111.6	T33 K64 I65 V211 E212	T33-A47 CarbonylContact O-C 3.55Å; T33-A47 WeakPolarHBondContact O-CA 3.45Å; A47-K64 HydrophobicContact CB-CB 3.62Å; A47-K64 HydrophobicContact CB-CG 4.23Å; A47-I65 HydrophobicContact CB-CG1 4.29Å; A47-V211 WeakPolarHBondContact O-CA 3.4Å; A47-E212 PolarHBondContact N-O 3.32Å; A47-E212 PolarHBondContact O-N 3.46Å
48	E	93.9	Very high	87.7	Confident	13 Å²	13	64.9 Å²	64.9	6%	0.061	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	124	174.2	176.7	-174.3	165.9	0	0	110.8	T33 R50 M201 K210	T33-E48 WeakPolarHBondContact CB-OE2 3.35Å; T33-E48 PolarHBondContact N-OE2 2.99Å; T33-E48 WeakPolarHBondContact O-CB 2.96Å; T33-E48 PolarHBondContact O-N 3.44Å; T33-E48 PolarHBondContact OG1-OE2 2.86Å; E48-R50 HydrophobicContact CG-CG 3.96Å; E48-R50 WeakPolarHBondContact OE1-CG 3.48Å; E48-R50 IonicContact OE1-CZ 2.65Å; E48-R50 IonicContact OE1-NE 3.66Å; E48-R50 PolarHBondContact OE1-NE 2.97Å; E48-R50 IonicContact OE1-NH2 2.81Å; E48-R50 IonicContact OE2-NE 3.62Å; E48-R50 IonicContact OE2-NH2 3.99Å; E48-M201 HydrophobicContact CB-CE 4.28Å; E48-M201 HydrophobicContact CB-SD 4.29Å; E48-M201 HydrophobicContact CG-CE 3.66Å; E48-M201 HydrophobicContact CG-SD 4.26Å; E48-K210 WeakPolarHBondContact CA-O 3.47Å
49	R	89.9	Confident	85.9	Confident	46 Å²	46	68 Å²	68	17%	0.174	34%	0.336	C	S	.	.			trans	-92.9	108.3	167.1	-66.5	-177.6	173.3	-172.2	-2.5	108.9	F61 K210 E212	R49-F61 PolarHBondContact NH2-O 3.49Å; R49-F61 VanDerWaalsContact NH2-O 3.15Å; R49-K210 PolarHBondContact N-O 3.39Å; R49-E212 HydrophobicContact CG-CB 4.31Å; R49-E212 IonicContact CZ-OE2 3.72Å; R49-E212 IonicContact NE-OE2 3.61Å; R49-E212 PolarHBondContact NE-OE2 2.93Å; R49-E212 IonicContact NH2-OE1 3.55Å; R49-E212 IonicContact NH2-OE2 2.73Å; R49-E212 PolarHBondContact NH2-OE2 2.97Å
50	R	82	Confident	83.9	Confident	102 Å²	102	76.3 Å²	76.3	39%	0.385	37%	0.372	S	S	.	.			trans	-86.2	-34.3	178.9	-74	-169.5	173.7	175.5	4.6	113.7	H30 A31 E48 I52 N166	H30-R50 PolarHBondContact O-NH1 3.03Å; A31-R50 PolarHBondContact O-NH2 3.08Å; E48-R50 HydrophobicContact CG-CG 3.96Å; E48-R50 WeakPolarHBondContact OE1-CG 3.48Å; E48-R50 IonicContact OE1-CZ 2.65Å; E48-R50 IonicContact OE1-NE 3.66Å; E48-R50 PolarHBondContact OE1-NE 2.97Å; E48-R50 IonicContact OE1-NH2 2.81Å; E48-R50 IonicContact OE2-NE 3.62Å; E48-R50 IonicContact OE2-NH2 3.99Å; R50-I52 VanDerWaalsContact C-N 3.32Å; R50-I52 PolarHBondContact O-N 3.27Å; R50-I52 VanDerWaalsContact O-N 3.11Å; R50-N166 PolarHBondContact NH2-ND2 3.21Å
51	N	74.9	Confident	82.1	Confident	117 Å²	117	80.7 Å²	80.7	63%	0.626	39%	0.387	S	S	*	.			trans	-89.8	76.5	-176.2	-67.9	-17.6	0	0	0	108.7	L56	N51-L56 HydrophobicContact CB-CD1 3.9Å; N51-L56 WeakPolarHBondContact O-CD1 3.31Å
52	I	73.8	Confident	80.4	Confident	72 Å²	72	78.5 Å²	78.5	37%	0.369	38%	0.378	S	S	.	.			trans	-101.7	110.7	168.6	50.3	155.2	0	0	0	108.1	R50 E209 K210	R50-I52 VanDerWaalsContact C-N 3.32Å; R50-I52 PolarHBondContact O-N 3.27Å; R50-I52 VanDerWaalsContact O-N 3.11Å; I52-E209 HydrophobicContact CD1-CG 4.1Å; I52-E209 HydrophobicContact CG2-CB 4.45Å; I52-E209 HydrophobicContact CG2-CG 4.28Å; I52-E209 WeakPolarHBondContact CG2-O 3.43Å; I52-K210 HydrophobicContact CD1-CD 4.24Å; I52-K210 VanDerWaalsContact CD1-CE 3.43Å; I52-K210 HydrophobicContact CD1-CG 3.77Å; I52-K210 HydrophobicContact CG1-CG 4.47Å
53	H	74.7	Confident	79.2	Confident	110 Å²	110	81.8 Å²	81.8	51%	0.509	39%	0.393	S	S	.	.			trans	-144.6	136.8	178.1	-168	-89.9	0	0	0	109.1	L55 L56	H53-L55 WeakPolarHBondContact ND1-CB 3.26Å; H53-L55 PolarHBondContact ND1-N 3.17Å; H53-L55 PolarHBondContact O-N 3.22Å; H53-L56 HydrophobicContact CB-CD1 3.82Å; H53-L56 HydrophobicContact CB-CG 3.97Å; H53-L56 WeakPolarHBondContact O-CB 3.44Å; H53-L56 PolarHBondContact O-N 3.49Å
54	K	77.4	Confident	78.8	Confident	190 Å²	190	82.9 Å²	82.9	83%	0.826	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-15	-177.9	70.1	177.6	-176.1	178.9	0	115.5
55	L	83.9	Confident	78.7	Confident	138 Å²	138	83.1 Å²	83.1	72%	0.723	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-7.1	178.5	-57.5	-178.4	0	0	0	112.6	H53	H53-L55 WeakPolarHBondContact ND1-CB 3.26Å; H53-L55 PolarHBondContact ND1-N 3.17Å; H53-L55 PolarHBondContact O-N 3.22Å
56	L	74.9	Confident	78.5	Confident	79 Å²	79	84.2 Å²	84.2	41%	0.414	40%	0.404	S	S	.	.	S	Bend	trans	-71.7	133	171.1	-73.3	167.4	0	0	0	107.9	N51 H53 E58	N51-L56 HydrophobicContact CB-CD1 3.9Å; N51-L56 WeakPolarHBondContact O-CD1 3.31Å; H53-L56 HydrophobicContact CB-CD1 3.82Å; H53-L56 HydrophobicContact CB-CG 3.97Å; H53-L56 WeakPolarHBondContact O-CB 3.44Å; H53-L56 PolarHBondContact O-N 3.49Å; L56-E58 PolarHBondContact O-N 3.45Å
57	D	71.2	Confident	78.4	Confident	122 Å²	122	88.5 Å²	88.5	65%	0.652	42%	0.422	S	S	*	.			trans	-72.1	117.4	176.5	-172.6	-1.7	0	0	0	109.3	V59	D57-V59 PolarHBondContact O-N 3.05Å; D57-V59 VanDerWaalsContact OD1-CB 3.29Å; D57-V59 WeakPolarHBondContact OD1-CB 3.27Å; D57-V59 WeakPolarHBondContact OD1-CG2 3.35Å; D57-V59 PolarHBondContact OD1-N 3.42Å
58	E	64.6	Low	78.5	Confident	162 Å²	162	88.8 Å²	88.8	76%	0.757	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-4.3	-180	-61.8	-175.6	178.1	0	0	112.9	L56 F60	L56-E58 PolarHBondContact O-N 3.45Å; E58-F60 PolarHBondContact O-N 3.14Å
59	V	62.3	Low	78.7	Confident	101 Å²	101	88.9 Å²	88.9	61%	0.612	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.6	-179	174.4	0	0	0	0	112.3	D57 F61	D57-V59 PolarHBondContact O-N 3.05Å; D57-V59 VanDerWaalsContact OD1-CB 3.29Å; D57-V59 WeakPolarHBondContact OD1-CB 3.27Å; D57-V59 WeakPolarHBondContact OD1-CG2 3.35Å; D57-V59 PolarHBondContact OD1-N 3.42Å; V59-F61 WeakPolarHBondContact O-CD2 3.36Å; V59-F61 PolarHBondContact O-N 3.28Å
60	F	56.3	Low	79	Confident	178 Å²	178	92.4 Å²	92.4	78%	0.781	44%	0.443	S	S	*	.	S	Bend	trans	-83.1	100.3	175.1	-116.7	-93.5	0	0	0	111.6	E58 S62	E58-F60 PolarHBondContact O-N 3.14Å; F60-S62 VanDerWaalsContact C-N 3.32Å; F60-S62 PolarHBondContact O-N 2.92Å; F60-S62 VanDerWaalsContact O-N 3.16Å
61	F	58.4	Low	79.8	Confident	184 Å²	184	88.7 Å²	88.7	81%	0.807	43%	0.431	S	S	*	.			trans	-61	-25.5	-167.1	-83.3	-89.6	0	0	0	116.6	R49 V59	R49-F61 PolarHBondContact NH2-O 3.49Å; R49-F61 VanDerWaalsContact NH2-O 3.15Å; V59-F61 WeakPolarHBondContact O-CD2 3.36Å; V59-F61 PolarHBondContact O-N 3.28Å
62	S	61.2	Low	80.9	Confident	35 Å²	35	83.1 Å²	83.1	25%	0.245	40%	0.401	C	S	.	.			trans	-138.4	119	-179.4	68.9	0	0	0	0	112.2	F60 I65 E212	F60-S62 VanDerWaalsContact C-N 3.32Å; F60-S62 PolarHBondContact O-N 2.92Å; F60-S62 VanDerWaalsContact O-N 3.16Å; S62-I65 WeakPolarHBondContact CB-O 3.3Å; S62-I65 PolarHBondContact OG-O 3.36Å; S62-E212 WeakPolarHBondContact CA-OE1 3.41Å; S62-E212 WeakPolarHBondContact CB-OE1 3.42Å
63	E	74.1	Confident	82.1	Confident	68 Å²	68	79.7 Å²	79.7	32%	0.318	38%	0.384	S	S	.	.	S	Bend	trans	-92.2	-24.9	176.3	-66.5	-166.9	150.7	0	0	112.2	Y66 E212	E63-Y66 PolarHBondContact O-OH 3.22Å; E63-E212 PolarHBondContact N-OE2 2.72Å
64	K	90.2	Very high	83.2	Confident	24 Å²	24	74.5 Å²	74.5	10%	0.104	36%	0.359	C	S	.	.	S	Bend	trans	-127.7	-26.4	-168.3	-69.4	-64.7	-169.4	174.8	0	114.5	A47 S75 V76 E212	A47-K64 HydrophobicContact CB-CB 3.62Å; A47-K64 HydrophobicContact CB-CG 4.23Å; K64-S75 VanDerWaalsContact O-CA 3.26Å; K64-S75 WeakPolarHBondContact O-CA 3.33Å; K64-V76 HydrophobicContact CD-CG2 4.39Å; K64-V76 PolarHBondContact O-N 3.17Å; K64-E212 PolarHBondContact N-OE2 3.46Å
65	I	95.4	Very high	84.2	Confident	5 Å²	5	65.4 Å²	65.4	3%	0.026	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.3	-177.2	-53.2	-178.8	0	0	0	110.4	L45 A47 S62 C74 E212 A214	L45-I65 HydrophobicContact CB-CD1 3.98Å; L45-I65 HydrophobicContact CD1-CG2 4.21Å; A47-I65 HydrophobicContact CB-CG1 4.29Å; S62-I65 WeakPolarHBondContact CB-O 3.3Å; S62-I65 PolarHBondContact OG-O 3.36Å; I65-C74 CarbonylContact C-O 3.49Å; I65-C74 VanDerWaalsContact CA-O 3.27Å; I65-C74 WeakPolarHBondContact CA-O 3.29Å; I65-E212 WeakPolarHBondContact CB-OE1 3.15Å; I65-E212 HydrophobicContact CD1-CB 4.27Å; I65-E212 HydrophobicContact CD1-CG 3.94Å; I65-E212 HydrophobicContact CG1-CG 4.16Å; I65-E212 PolarHBondContact N-OE1 3.33Å; I65-A214 HydrophobicContact CD1-CB 3.69Å; I65-A214 HydrophobicContact CG2-CB 3.74Å
66	Y	95.9	Very high	84.8	Confident	23 Å²	23	59 Å²	59	9%	0.09	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.3	-174.4	-59.6	-92.8	0	0	0	110.6	E63 L68 A73 C74 V76 T87	E63-Y66 PolarHBondContact O-OH 3.22Å; Y66-L68 PolarHBondContact O-N 2.86Å; Y66-A73 CarbonylContact O-C 3.5Å; Y66-A73 VanDerWaalsContact O-CA 3.25Å; Y66-A73 WeakPolarHBondContact O-CA 3.43Å; Y66-A73 WeakPolarHBondContact O-CB 3.44Å; Y66-C74 PolarHBondContact N-O 3.26Å; Y66-C74 PolarHBondContact O-N 3.13Å; Y66-V76 HydrophobicContact CD2-CG1 3.89Å; Y66-V76 HydrophobicContact CD2-CG2 4.45Å; Y66-V76 HydrophobicContact CE2-CB 4.46Å; Y66-V76 HydrophobicContact CE2-CG1 3.89Å; Y66-V76 HydrophobicContact CE2-CG2 3.68Å; Y66-T87 HydrophobicContact CD2-CG2 4.05Å; Y66-T87 HydrophobicContact CG-CG2 3.99Å
67	K	96.1	Very high	85.8	Confident	90 Å²	90	55.2 Å²	55.2	39%	0.391	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	128.7	164.3	-170.3	179.5	-176.7	-173	0	109	N69 E70 R91 I225	K67-N69 WeakPolarHBondContact CE-O 3.47Å; K67-N69 WeakPolarHBondContact CG-O 3.42Å; K67-E70 IonicContact NZ-OE1 2.66Å; K67-E70 PolarHBondContact NZ-OE1 2.92Å; K67-E70 IonicContact NZ-OE2 2.69Å; K67-E70 PolarHBondContact NZ-OE2 3.44Å; K67-R91 PolarHBondContact O-NE 3.45Å; K67-R91 PolarHBondContact O-NH2 3.46Å; K67-I225 HydrophobicContact CG-CD1 4.25Å
68	L	97.8	Very high	87	Confident	6 Å²	6	50.3 Å²	50.3	3%	0.031	25%	0.245	C	C	.	.			trans	-99.2	-44.7	-179.7	-61.1	179.8	0	0	0	111.3	Y66 M72 C74 T87 L90 R91 L110 Y136	Y66-L68 PolarHBondContact O-N 2.86Å; L68-M72 HydrophobicContact CB-CB 4.33Å; L68-M72 HydrophobicContact CD1-CB 4.44Å; L68-M72 PolarHBondContact N-O 3.21Å; L68-C74 HydrophobicContact CD1-CB 4.01Å; L68-C74 HydrophobicContact CG-CB 4.42Å; L68-T87 HydrophobicContact CD2-CG2 4.48Å; L68-L90 HydrophobicContact CD1-CB 4.39Å; L68-L90 HydrophobicContact CD1-CD1 3.82Å; L68-L90 HydrophobicContact CD1-CD2 4.45Å; L68-L90 HydrophobicContact CD1-CG 4.47Å; L68-L90 HydrophobicContact CD2-CB 3.8Å; L68-L90 HydrophobicContact CD2-CD1 3.69Å; L68-L90 HydrophobicContact CD2-CG 4.39Å; L68-L90 HydrophobicContact CG-CD1 4.41Å; L68-R91 WeakPolarHBondContact O-CG 3.47Å; L68-L110 HydrophobicContact CD1-CD2 4.31Å; L68-Y136 HydrophobicContact CD1-CD1 4.07Å
69	N	97.5	Very high	88.4	Confident	14 Å²	14	45.9 Å²	45.9	8%	0.075	23%	0.226	C	C	.	.	S	Bend	trans	-153.7	-167.6	172.2	63.6	13.5	0	0	0	108.4	K67 D71 M72 A94	K67-N69 WeakPolarHBondContact CE-O 3.47Å; K67-N69 WeakPolarHBondContact CG-O 3.42Å; N69-D71 PolarHBondContact O-N 2.82Å; N69-D71 PolarHBondContact OD1-N 3.39Å; N69-M72 PolarHBondContact N-O 2.94Å; N69-M72 WeakPolarHBondContact OD1-CA 3.46Å; N69-M72 WeakPolarHBondContact OD1-CB 3.5Å; N69-M72 PolarHBondContact OD1-N 2.9Å; N69-A94 HydrophobicContact CB-CB 4.01Å
70	E	96.7	Very high	89.7	Confident	121 Å²	121	44.3 Å²	44.3	57%	0.565	22%	0.216	S	C	*	.	S	Bend	trans	-63.1	-28.1	179.2	-68.1	-53.7	137.5	0	0	113.9	K67	K67-E70 IonicContact NZ-OE1 2.66Å; K67-E70 PolarHBondContact NZ-OE1 2.92Å; K67-E70 IonicContact NZ-OE2 2.69Å; K67-E70 PolarHBondContact NZ-OE2 3.44Å
71	D	98.4	Very high	91.4	Very high	23 Å²	23	39.2 Å²	39.2	12%	0.123	20%	0.203	C	C	.	.	S	Bend	trans	-110.7	-1.5	-169.8	-67.1	-57.5	0	0	0	113.9	N69 P104 G138 W139 L216 T223	N69-D71 PolarHBondContact O-N 2.82Å; N69-D71 PolarHBondContact OD1-N 3.39Å; D71-P104 WeakPolarHBondContact OD2-CB 3.31Å; D71-P104 WeakPolarHBondContact OD2-CG 3.49Å; D71-G138 CarbonylContact O-C 3.58Å; D71-G138 WeakPolarHBondContact O-CA 3.35Å; D71-W139 WeakPolarHBondContact CB-O 3.36Å; D71-W139 PolarHBondContact O-N 3.39Å; D71-L216 WeakPolarHBondContact O-CD1 3.26Å; D71-T223 WeakPolarHBondContact OD1-CB 3.38Å; D71-T223 PolarHBondContact OD1-OG1 2.94Å
72	M	98.7	Very high	93.2	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	145.3	-175.9	-58.6	-175.7	74.5	0	0	113.7	L68 N69 C107 L110 V111 I137	L68-M72 HydrophobicContact CB-CB 4.33Å; L68-M72 HydrophobicContact CD1-CB 4.44Å; L68-M72 PolarHBondContact N-O 3.21Å; N69-M72 PolarHBondContact N-O 2.94Å; N69-M72 WeakPolarHBondContact OD1-CA 3.46Å; N69-M72 WeakPolarHBondContact OD1-CB 3.5Å; N69-M72 PolarHBondContact OD1-N 2.9Å; M72-C107 HydrophobicContact CE-CB 3.83Å; M72-C107 HydrophobicContact SD-CB 4.09Å; M72-L110 HydrophobicContact CE-CD2 4.3Å; M72-L110 HydrophobicContact SD-CB 4.06Å; M72-L110 HydrophobicContact SD-CD2 3.56Å; M72-L110 VanDerWaalsContact SD-CD2 3.56Å; M72-L110 HydrophobicContact SD-CG 4.37Å; M72-V111 HydrophobicContact CE-CG2 4.26Å; M72-I137 VanDerWaalsContact CA-O 3.24Å; M72-I137 WeakPolarHBondContact CA-O 3.33Å
73	A	98.6	Very high	94.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	165	168	0	0	0	0	0	110.3	Y66 Y136 I137 I225	Y66-A73 CarbonylContact O-C 3.5Å; Y66-A73 VanDerWaalsContact O-CA 3.25Å; Y66-A73 WeakPolarHBondContact O-CA 3.43Å; Y66-A73 WeakPolarHBondContact O-CB 3.44Å; A73-Y136 WeakPolarHBondContact O-CA 3.41Å; A73-I137 HydrophobicContact CB-CD1 4.42Å; A73-I137 HydrophobicContact CB-CG1 4.03Å; A73-I137 PolarHBondContact N-O 2.98Å; A73-I137 PolarHBondContact O-N 2.87Å; A73-I137 VanDerWaalsContact O-O 3.12Å; A73-I225 HydrophobicContact CB-CD1 4.19Å; A73-I225 HydrophobicContact CB-CG2 4.12Å
74	C	98.5	Very high	95.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	158.6	173.1	68.7	0	0	0	0	112.5	I65 Y66 L68 L134 L135 Y136	I65-C74 CarbonylContact C-O 3.49Å; I65-C74 VanDerWaalsContact CA-O 3.27Å; I65-C74 WeakPolarHBondContact CA-O 3.29Å; Y66-C74 PolarHBondContact N-O 3.26Å; Y66-C74 PolarHBondContact O-N 3.13Å; L68-C74 HydrophobicContact CD1-CB 4.01Å; L68-C74 HydrophobicContact CG-CB 4.42Å; C74-L134 HydrophobicContact CB-CD2 4.29Å; C74-L135 CarbonylContact C-O 3.54Å; C74-L135 WeakPolarHBondContact CA-O 3.39Å; C74-L135 VanDerWaalsContact CB-O 3.24Å; C74-L135 WeakPolarHBondContact CB-O 3.26Å; C74-Y136 HydrophobicContact CB-CD1 3.99Å; C74-Y136 HydrophobicContact CB-CE1 4.44Å; C74-Y136 HydrophobicContact CB-CG 4.46Å
75	S	97.8	Very high	96.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	151.8	165.9	61.8	0	0	0	0	110	K64 L134 L135	K64-S75 VanDerWaalsContact O-CA 3.26Å; K64-S75 WeakPolarHBondContact O-CA 3.33Å; S75-L134 WeakPolarHBondContact O-CA 3.48Å; S75-L135 PolarHBondContact N-O 3.16Å; S75-L135 PolarHBondContact O-N 3.38Å
76	V	96.5	Very high	96.3	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	127.7	-171.5	-51.4	0	0	0	0	111.9	C34 K64 Y66 A83 T87 V132 L134	C34-V76 PolarHBondContact SG-O 3.29Å; K64-V76 HydrophobicContact CD-CG2 4.39Å; K64-V76 PolarHBondContact O-N 3.17Å; Y66-V76 HydrophobicContact CD2-CG1 3.89Å; Y66-V76 HydrophobicContact CD2-CG2 4.45Å; Y66-V76 HydrophobicContact CE2-CB 4.46Å; Y66-V76 HydrophobicContact CE2-CG1 3.89Å; Y66-V76 HydrophobicContact CE2-CG2 3.68Å; V76-A83 HydrophobicContact CB-CB 3.89Å; V76-A83 HydrophobicContact CG1-CB 3.99Å; V76-A83 HydrophobicContact CG2-CB 3.9Å; V76-T87 HydrophobicContact CG1-CG2 4.3Å; V76-V132 HydrophobicContact CB-CG1 4.16Å; V76-L134 HydrophobicContact CG1-CD2 4.4Å; V76-L134 HydrophobicContact CG1-CG 4.3Å
77	A	96.4	Very high	96.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.9	169.4	0	0	0	0	0	109.1	I28 A31 V132 S133 I164	I28-A77 HydrophobicContact CG2-CB 4.05Å; A31-A77 HydrophobicContact CB-CB 4.2Å; A77-V132 WeakPolarHBondContact O-CA 3.41Å; A77-S133 PolarHBondContact N-O 2.83Å; A77-S133 PolarHBondContact O-N 2.86Å; A77-I164 HydrophobicContact CB-CB 4.47Å; A77-I164 HydrophobicContact CB-CD1 3.74Å; A77-I164 HydrophobicContact CB-CG1 3.81Å
78	G	95.1	Very high	96.4	Very high	19 Å²	19	30.9 Å²	30.9	20%	0.196	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	134.7	-151	-178.4	0	0	0	0	0	113	T80 G131	G78-T80 PolarHBondContact O-N 2.66Å; G78-G131 CarbonylContact C-O 3.53Å; G78-G131 WeakPolarHBondContact CA-O 3.27Å
79	I	93.6	Very high	96.5	Very high	70 Å²	70	33.3 Å²	33.3	36%	0.359	19%	0.187	S	C	.	.			trans	-72	113.4	-178.6	-57.2	177.6	0	0	0	110.4	S81 D82 A83 G131 V132	I79-S81 VanDerWaalsContact C-N 3.29Å; I79-S81 VanDerWaalsContact CG2-OG 3.23Å; I79-S81 WeakPolarHBondContact CG2-OG 3.3Å; I79-S81 PolarHBondContact O-N 3.2Å; I79-D82 HydrophobicContact CB-CB 4.19Å; I79-D82 HydrophobicContact CG2-CB 4.36Å; I79-D82 WeakPolarHBondContact O-CB 3.44Å; I79-D82 PolarHBondContact O-N 2.85Å; I79-D82 VanDerWaalsContact O-N 3.13Å; I79-A83 PolarHBondContact O-N 3.49Å; I79-G131 PolarHBondContact N-O 2.8Å; I79-V132 HydrophobicContact CB-CG2 4.48Å; I79-V132 WeakPolarHBondContact O-CG2 3.29Å
80	T	90.6	Very high	96.5	Very high	68 Å²	68	32.7 Å²	32.7	42%	0.417	18%	0.184	S	C	.	.	H	α-helix	trans	-59.7	-34.2	-176.2	-49.2	0	0	0	0	113.6	G78 A83 N84	G78-T80 PolarHBondContact O-N 2.66Å; T80-A83 WeakPolarHBondContact O-CB 3.45Å; T80-A83 PolarHBondContact O-N 3.04Å; T80-N84 PolarHBondContact O-N 2.78Å; T80-N84 PolarHBondContact O-ND2 3.32Å
81	S	92.6	Very high	96.6	Very high	71 Å²	71	30.9 Å²	30.9	50%	0.497	17%	0.172	S	C	.	.	H	α-helix	trans	-64.7	-42.6	177.2	58	0	0	0	0	112.2	I79 A83 N84 V85	I79-S81 VanDerWaalsContact C-N 3.29Å; I79-S81 VanDerWaalsContact CG2-OG 3.23Å; I79-S81 WeakPolarHBondContact CG2-OG 3.3Å; I79-S81 PolarHBondContact O-N 3.2Å; S81-A83 VanDerWaalsContact C-N 3.29Å; S81-A83 PolarHBondContact O-N 3.37Å; S81-N84 PolarHBondContact O-N 2.96Å; S81-V85 PolarHBondContact O-N 2.96Å
82	D	96.1	Very high	96.6	Very high	11 Å²	11	33.9 Å²	33.9	6%	0.059	19%	0.187	C	C	.	.	H	α-helix	trans	-64.5	-39.1	174.9	-73.8	14.8	0	0	0	109.7	I79 N84 V85 L86 R128 F130 G131 V132	I79-D82 HydrophobicContact CB-CB 4.19Å; I79-D82 HydrophobicContact CG2-CB 4.36Å; I79-D82 WeakPolarHBondContact O-CB 3.44Å; I79-D82 PolarHBondContact O-N 2.85Å; I79-D82 VanDerWaalsContact O-N 3.13Å; D82-N84 PolarHBondContact O-N 3.35Å; D82-V85 PolarHBondContact O-N 3.03Å; D82-L86 WeakPolarHBondContact O-CG 3.22Å; D82-L86 PolarHBondContact O-N 3.35Å; D82-R128 IonicContact OD1-CZ 3.67Å; D82-R128 IonicContact OD1-NH1 3.55Å; D82-R128 IonicContact OD1-NH2 2.84Å; D82-R128 PolarHBondContact OD1-NH2 3.21Å; D82-R128 IonicContact OD2-CZ 3.6Å; D82-R128 IonicContact OD2-NH1 2.9Å; D82-R128 PolarHBondContact OD2-NH1 2.92Å; D82-R128 IonicContact OD2-NH2 3.53Å; D82-F130 HydrophobicContact CB-CD1 4.04Å; D82-F130 WeakPolarHBondContact OD2-CA 3.23Å; D82-G131 PolarHBondContact OD2-N 2.84Å; D82-V132 HydrophobicContact CB-CG2 3.54Å
83	A	95.6	Very high	96.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63	-40.2	177.9	0	0	0	0	0	112.3	V76 I79 T80 S81 V85 L86 T87 V132	V76-A83 HydrophobicContact CB-CB 3.89Å; V76-A83 HydrophobicContact CG1-CB 3.99Å; V76-A83 HydrophobicContact CG2-CB 3.9Å; I79-A83 PolarHBondContact O-N 3.49Å; T80-A83 WeakPolarHBondContact O-CB 3.45Å; T80-A83 PolarHBondContact O-N 3.04Å; S81-A83 VanDerWaalsContact C-N 3.29Å; S81-A83 PolarHBondContact O-N 3.37Å; A83-V85 PolarHBondContact O-N 3.09Å; A83-L86 PolarHBondContact O-N 3.15Å; A83-T87 WeakPolarHBondContact O-CB 3.02Å; A83-T87 VanDerWaalsContact O-CG2 3.28Å; A83-T87 WeakPolarHBondContact O-CG2 3.45Å; A83-T87 PolarHBondContact O-N 3.32Å; A83-T87 PolarHBondContact O-OG1 2.8Å; A83-V132 HydrophobicContact CB-CG1 4.01Å; A83-V132 HydrophobicContact CB-CG2 4.07Å
84	N	94.2	Very high	96.7	Very high	69 Å²	69	35.3 Å²	35.3	37%	0.369	20%	0.195	S	C	.	.	H	α-helix	trans	-62.8	-40.7	176.2	-72.7	-23.9	0	0	0	112.2	T80 S81 D82 T87 N88	T80-N84 PolarHBondContact O-N 2.78Å; T80-N84 PolarHBondContact O-ND2 3.32Å; S81-N84 PolarHBondContact O-N 2.96Å; D82-N84 PolarHBondContact O-N 3.35Å; N84-T87 WeakPolarHBondContact CA-OG1 3.28Å; N84-T87 PolarHBondContact O-OG1 3.13Å; N84-N88 WeakPolarHBondContact O-CB 3.24Å; N84-N88 VanDerWaalsContact O-CG 3.23Å; N84-N88 PolarHBondContact O-N 3.36Å; N84-N88 VanDerWaalsContact O-N 3.13Å; N84-N88 PolarHBondContact O-ND2 3.2Å
85	V	96.9	Very high	96.7	Very high	85 Å²	85	40.1 Å²	40.1	52%	0.515	22%	0.218	S	C	.	.	H	α-helix	trans	-62.3	-48.9	175.6	175	0	0	0	0	110.2	S81 D82 A83 N88 E89 F130	S81-V85 PolarHBondContact O-N 2.96Å; D82-V85 PolarHBondContact O-N 3.03Å; A83-V85 PolarHBondContact O-N 3.09Å; V85-N88 PolarHBondContact O-N 3.28Å; V85-E89 PolarHBondContact O-N 2.99Å; V85-F130 HydrophobicContact CG1-CE1 4.27Å
86	L	98.2	Very high	96.7	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-67.9	-39.4	-177.2	-66.7	177.3	0	0	0	113.1	D82 A83 E89 L90 L114 K118 F130 V132 L134	D82-L86 WeakPolarHBondContact O-CG 3.22Å; D82-L86 PolarHBondContact O-N 3.35Å; A83-L86 PolarHBondContact O-N 3.15Å; L86-E89 PolarHBondContact O-N 3.34Å; L86-L90 WeakPolarHBondContact O-CG 3.37Å; L86-L90 PolarHBondContact O-N 2.96Å; L86-L114 HydrophobicContact CB-CD1 4.2Å; L86-L114 HydrophobicContact CB-CD2 4.33Å; L86-L114 HydrophobicContact CD2-CD1 3.78Å; L86-L114 HydrophobicContact CD2-CG 4.31Å; L86-K118 HydrophobicContact CD2-CG 4.33Å; L86-F130 HydrophobicContact CD1-CB 3.92Å; L86-F130 HydrophobicContact CD1-CD1 4.11Å; L86-F130 HydrophobicContact CD1-CG 3.97Å; L86-F130 HydrophobicContact CD2-CD1 3.96Å; L86-F130 HydrophobicContact CD2-CD2 3.98Å; L86-F130 HydrophobicContact CD2-CE1 3.91Å; L86-F130 HydrophobicContact CD2-CE2 3.93Å; L86-F130 HydrophobicContact CD2-CG 3.99Å; L86-F130 HydrophobicContact CD2-CZ 3.9Å; L86-F130 HydrophobicContact CG-CD1 3.97Å; L86-F130 HydrophobicContact CG-CE1 4.23Å; L86-F130 HydrophobicContact CG-CG 4.21Å; L86-V132 HydrophobicContact CD1-CB 4.33Å; L86-L134 HydrophobicContact CD1-CD1 4.1Å
87	T	97.4	Very high	96.8	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-68.7	-36.2	177.9	51.2	0	0	0	0	112.4	Y66 L68 V76 A83 N84 R91	Y66-T87 HydrophobicContact CD2-CG2 4.05Å; Y66-T87 HydrophobicContact CG-CG2 3.99Å; L68-T87 HydrophobicContact CD2-CG2 4.48Å; V76-T87 HydrophobicContact CG1-CG2 4.3Å; A83-T87 WeakPolarHBondContact O-CB 3.02Å; A83-T87 VanDerWaalsContact O-CG2 3.28Å; A83-T87 WeakPolarHBondContact O-CG2 3.45Å; A83-T87 PolarHBondContact O-N 3.32Å; A83-T87 PolarHBondContact O-OG1 2.8Å; N84-T87 WeakPolarHBondContact CA-OG1 3.28Å; N84-T87 PolarHBondContact O-OG1 3.13Å; T87-R91 VanDerWaalsContact O-CG 3.3Å; T87-R91 WeakPolarHBondContact O-CG 3.48Å; T87-R91 PolarHBondContact O-N 3.38Å
88	N	97.6	Very high	96.9	Very high	85 Å²	85	52.2 Å²	52.2	46%	0.455	27%	0.268	S	S	.	.	H	α-helix	trans	-67.4	-39.2	172.5	-72	-21	0	0	0	111.9	N84 V85 R91 L92	N84-N88 WeakPolarHBondContact O-CB 3.24Å; N84-N88 VanDerWaalsContact O-CG 3.23Å; N84-N88 PolarHBondContact O-N 3.36Å; N84-N88 VanDerWaalsContact O-N 3.13Å; N84-N88 PolarHBondContact O-ND2 3.2Å; V85-N88 PolarHBondContact O-N 3.28Å; N88-R91 PolarHBondContact O-N 3.41Å; N88-R91 PolarHBondContact OD1-NH1 3.37Å; N88-L92 WeakPolarHBondContact O-CG 3.35Å; N88-L92 PolarHBondContact O-N 3.46Å
89	E	98.7	Very high	97.1	Very high	58 Å²	58	57.6 Å²	57.6	27%	0.271	29%	0.292	S	S	.	.	H	α-helix	trans	-64.3	-44.9	175.1	-169.7	57.9	-152.5	0	0	111.7	V85 L86 R91 L92 I93 L114 I117	V85-E89 PolarHBondContact O-N 2.99Å; L86-E89 PolarHBondContact O-N 3.34Å; E89-R91 VanDerWaalsContact C-N 3.31Å; E89-R91 PolarHBondContact O-N 2.91Å; E89-L92 PolarHBondContact O-N 3.16Å; E89-L92 VanDerWaalsContact O-N 3.16Å; E89-I93 HydrophobicContact CG-CD1 3.92Å; E89-I93 HydrophobicContact CG-CG1 4.47Å; E89-I93 VanDerWaalsContact O-CG1 3.3Å; E89-I93 WeakPolarHBondContact O-CG1 3.31Å; E89-I93 PolarHBondContact O-N 2.88Å; E89-L114 HydrophobicContact CB-CD1 4.36Å; E89-L114 HydrophobicContact CG-CD1 4.47Å; E89-I117 HydrophobicContact CG-CD1 3.59Å
90	L	98.8	Very high	97.3	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-54.3	-46.5	172.8	-78.4	164.7	0	0	0	112	L68 L86 I93 A94 L110 L114 L134 Y136	L68-L90 HydrophobicContact CD1-CB 4.39Å; L68-L90 HydrophobicContact CD1-CD1 3.82Å; L68-L90 HydrophobicContact CD1-CD2 4.45Å; L68-L90 HydrophobicContact CD1-CG 4.47Å; L68-L90 HydrophobicContact CD2-CB 3.8Å; L68-L90 HydrophobicContact CD2-CD1 3.69Å; L68-L90 HydrophobicContact CD2-CG 4.39Å; L68-L90 HydrophobicContact CG-CD1 4.41Å; L86-L90 WeakPolarHBondContact O-CG 3.37Å; L86-L90 PolarHBondContact O-N 2.96Å; L90-I93 PolarHBondContact O-N 3.25Å; L90-A94 WeakPolarHBondContact O-CB 3.42Å; L90-A94 PolarHBondContact O-N 3.39Å; L90-L110 HydrophobicContact CD2-CD1 3.78Å; L90-L110 HydrophobicContact CD2-CD2 4.18Å; L90-L110 HydrophobicContact CD2-CG 3.65Å; L90-L110 WeakPolarHBondContact O-CD1 3.27Å; L90-L114 HydrophobicContact CD1-CD2 3.73Å; L90-L114 HydrophobicContact CD2-CB 3.77Å; L90-L114 HydrophobicContact CD2-CD1 4.31Å; L90-L114 HydrophobicContact CD2-CD2 3.93Å; L90-L114 HydrophobicContact CD2-CG 4.2Å; L90-L114 HydrophobicContact CG-CB 4.31Å; L90-L114 HydrophobicContact CG-CD1 3.93Å; L90-L114 HydrophobicContact CG-CD2 3.78Å; L90-L114 HydrophobicContact CG-CG 4.19Å; L90-L134 HydrophobicContact CD1-CD2 3.95Å; L90-Y136 HydrophobicContact CD1-CE1 3.88Å; L90-Y136 HydrophobicContact CD2-CE1 4.2Å
91	R	98.7	Very high	97.7	Very high	84 Å²	84	63.2 Å²	63.2	32%	0.317	31%	0.307	S	S	.	.	H	α-helix	trans	-61.1	-45.8	177.4	-74.2	166.6	178.6	150.4	-2	111.3	K67 L68 T87 N88 E89 A94 Q95	K67-R91 PolarHBondContact O-NE 3.45Å; K67-R91 PolarHBondContact O-NH2 3.46Å; L68-R91 WeakPolarHBondContact O-CG 3.47Å; T87-R91 VanDerWaalsContact O-CG 3.3Å; T87-R91 WeakPolarHBondContact O-CG 3.48Å; T87-R91 PolarHBondContact O-N 3.38Å; N88-R91 PolarHBondContact O-N 3.41Å; N88-R91 PolarHBondContact OD1-NH1 3.37Å; E89-R91 VanDerWaalsContact C-N 3.31Å; E89-R91 PolarHBondContact O-N 2.91Å; R91-A94 PolarHBondContact O-N 2.82Å; R91-Q95 WeakPolarHBondContact O-CB 3.48Å; R91-Q95 VanDerWaalsContact O-CG 3.28Å; R91-Q95 WeakPolarHBondContact O-CG 3.49Å; R91-Q95 PolarHBondContact O-N 3.11Å
92	L	98.8	Very high	97.9	Very high	85 Å²	85	66.8 Å²	66.8	45%	0.445	32%	0.316	S	S	.	.	H	α-helix	trans	-62.4	-45.5	178.8	-76.7	168	0	0	0	112	N88 E89 Q95 R96	N88-L92 WeakPolarHBondContact O-CG 3.35Å; N88-L92 PolarHBondContact O-N 3.46Å; E89-L92 PolarHBondContact O-N 3.16Å; E89-L92 VanDerWaalsContact O-N 3.16Å; L92-Q95 PolarHBondContact O-N 2.88Å; L92-R96 WeakPolarHBondContact O-CB 3.5Å; L92-R96 VanDerWaalsContact O-CG 3.26Å; L92-R96 WeakPolarHBondContact O-CG 3.4Å; L92-R96 PolarHBondContact O-N 3.15Å
93	I	98.8	Very high	98	Very high	28 Å²	28	69.6 Å²	69.6	14%	0.144	33%	0.329	C	S	.	.	H	α-helix	trans	-59.6	-48.9	176.9	-67	164.9	0	0	0	110.2	E89 L90 Q95 R96 Y97 I105 L110 A113 I117	E89-I93 HydrophobicContact CG-CD1 3.92Å; E89-I93 HydrophobicContact CG-CG1 4.47Å; E89-I93 VanDerWaalsContact O-CG1 3.3Å; E89-I93 WeakPolarHBondContact O-CG1 3.31Å; E89-I93 PolarHBondContact O-N 2.88Å; L90-I93 PolarHBondContact O-N 3.25Å; I93-Q95 PolarHBondContact O-N 3.43Å; I93-R96 PolarHBondContact O-N 3.07Å; I93-Y97 PolarHBondContact O-N 2.82Å; I93-I105 HydrophobicContact CG2-CD1 4.1Å; I93-L110 HydrophobicContact CB-CD1 3.96Å; I93-L110 HydrophobicContact CG2-CD1 3.73Å; I93-A113 HydrophobicContact CD1-CB 4.12Å; I93-A113 HydrophobicContact CG2-CB 4.11Å; I93-I117 HydrophobicContact CD1-CD1 4.04Å
94	A	98.8	Very high	98	Very high	3 Å²	3	72.6 Å²	72.6	3%	0.025	35%	0.348	C	S	.	.	H	α-helix	trans	-60.9	-42.9	-180	0	0	0	0	0	112.6	N69 L90 R91 Y97 L98 I105 L110	N69-A94 HydrophobicContact CB-CB 4.01Å; L90-A94 WeakPolarHBondContact O-CB 3.42Å; L90-A94 PolarHBondContact O-N 3.39Å; R91-A94 PolarHBondContact O-N 2.82Å; A94-Y97 PolarHBondContact O-N 2.89Å; A94-L98 WeakPolarHBondContact O-CB 3.44Å; A94-L98 PolarHBondContact O-N 2.84Å; A94-I105 HydrophobicContact CB-CG2 3.93Å; A94-L110 HydrophobicContact CB-CD1 4.21Å; A94-L110 HydrophobicContact CB-CD2 4.21Å
95	Q	98.7	Very high	98.2	Very high	102 Å²	102	69.7 Å²	69.7	48%	0.477	33%	0.333	S	S	.	.	H	α-helix	trans	-71.3	-36.1	178.8	-67	-56.9	-46.3	0	0	112.9	R91 L92 I93 L98 L99	R91-Q95 WeakPolarHBondContact O-CB 3.48Å; R91-Q95 VanDerWaalsContact O-CG 3.28Å; R91-Q95 WeakPolarHBondContact O-CG 3.49Å; R91-Q95 PolarHBondContact O-N 3.11Å; L92-Q95 PolarHBondContact O-N 2.88Å; I93-Q95 PolarHBondContact O-N 3.43Å; Q95-L98 PolarHBondContact O-N 2.82Å; Q95-L99 WeakPolarHBondContact O-CB 3.46Å; Q95-L99 PolarHBondContact O-N 3.5Å
96	R	98.8	Very high	98.3	Very high	148 Å²	148	66.7 Å²	66.7	56%	0.558	32%	0.315	S	S	*	.	H	α-helix	trans	-63.5	-43.3	173.6	-75.5	171.8	-178.3	161.2	3	111.4	L92 I93 L99 Q100	L92-R96 WeakPolarHBondContact O-CB 3.5Å; L92-R96 VanDerWaalsContact O-CG 3.26Å; L92-R96 WeakPolarHBondContact O-CG 3.4Å; L92-R96 PolarHBondContact O-N 3.15Å; I93-R96 PolarHBondContact O-N 3.07Å; R96-L99 PolarHBondContact O-N 2.8Å; R96-Q100 WeakPolarHBondContact O-CB 3.29Å; R96-Q100 PolarHBondContact O-N 3.34Å
97	Y	98.7	Very high	98.4	Very high	42 Å²	42	66.7 Å²	66.7	17%	0.165	32%	0.315	C	S	.	.	H	α-helix	trans	-60.3	-48.1	175.4	-169.3	-75.9	0	0	0	110.8	I93 A94 L99 Q100 Y101 E103 I105	I93-Y97 PolarHBondContact O-N 2.82Å; A94-Y97 PolarHBondContact O-N 2.89Å; Y97-L99 VanDerWaalsContact C-N 3.32Å; Y97-L99 PolarHBondContact O-N 2.69Å; Y97-Q100 PolarHBondContact O-N 2.68Å; Y97-Y101 AromaticContact CD1-CD2 3.73Å; Y97-Y101 HydrophobicContact CD1-CD2 3.73Å; Y97-Y101 HydrophobicContact CD1-CG 4.41Å; Y97-Y101 AromaticContact CD2-CD2 3.63Å; Y97-Y101 HydrophobicContact CD2-CD2 3.63Å; Y97-Y101 AromaticContact CD2-CE2 3.73Å; Y97-Y101 HydrophobicContact CD2-CE2 3.73Å; Y97-Y101 AromaticContact CE1-CD2 3.65Å; Y97-Y101 HydrophobicContact CE1-CD2 3.65Å; Y97-Y101 HydrophobicContact CE1-CG 4.04Å; Y97-Y101 AromaticContact CE2-CD2 3.57Å; Y97-Y101 HydrophobicContact CE2-CD2 3.57Å; Y97-Y101 AromaticContact CE2-CE2 3.65Å; Y97-Y101 HydrophobicContact CE2-CE2 3.65Å; Y97-Y101 HydrophobicContact CE2-CG 4.48Å; Y97-Y101 AromaticContact CG-CD2 3.71Å; Y97-Y101 HydrophobicContact CG-CD2 3.71Å; Y97-Y101 HydrophobicContact CG-CE2 4.24Å; Y97-Y101 AromaticContact CZ-CD2 3.56Å; Y97-Y101 WeakPolarHBondContact O-CD2 3.23Å; Y97-Y101 PolarHBondContact O-N 3.11Å; Y97-E103 WeakPolarHBondContact CD1-O 3.28Å; Y97-E103 HydrophobicContact CE1-CG 4.06Å; Y97-I105 HydrophobicContact CD1-CB 3.7Å; Y97-I105 HydrophobicContact CD1-CG1 4.24Å; Y97-I105 HydrophobicContact CD2-CB 4.07Å; Y97-I105 HydrophobicContact CD2-CD1 3.76Å; Y97-I105 HydrophobicContact CD2-CG1 3.74Å; Y97-I105 HydrophobicContact CE1-CB 4.26Å; Y97-I105 HydrophobicContact CE2-CD1 4.44Å; Y97-I105 HydrophobicContact CE2-CG1 4.08Å; Y97-I105 HydrophobicContact CG-CB 3.61Å; Y97-I105 HydrophobicContact CG-CD1 4.02Å; Y97-I105 HydrophobicContact CG-CG1 3.83Å
98	L	98.4	Very high	98.4	Very high	65 Å²	65	70.1 Å²	70.1	34%	0.34	33%	0.331	S	S	.	.	H	α-helix	trans	-58.7	-42.8	177.2	-179.3	63	0	0	0	112.1	A94 Q95 Q102 E103	A94-L98 WeakPolarHBondContact O-CB 3.44Å; A94-L98 PolarHBondContact O-N 2.84Å; Q95-L98 PolarHBondContact O-N 2.82Å; L98-Q102 WeakPolarHBondContact O-CA 3.35Å; L98-Q102 PolarHBondContact O-N 2.84Å; L98-E103 WeakPolarHBondContact CA-O 3.32Å
99	L	98.5	Very high	98.5	Very high	133 Å²	133	70.6 Å²	70.6	70%	0.696	33%	0.331	S	S	*	.	H	α-helix	trans	-63.8	-42.3	176.6	178.1	62.9	0	0	0	112	Q95 R96 Y97 Q102	Q95-L99 WeakPolarHBondContact O-CB 3.46Å; Q95-L99 PolarHBondContact O-N 3.5Å; R96-L99 PolarHBondContact O-N 2.8Å; Y97-L99 VanDerWaalsContact C-N 3.32Å; Y97-L99 PolarHBondContact O-N 2.69Å; L99-Q102 PolarHBondContact O-NE2 2.81Å
100	Q	98.6	Very high	98.5	Very high	136 Å²	136	67.9 Å²	67.9	64%	0.636	32%	0.318	S	S	*	.	H	α-helix	trans	-75.6	-42.9	-174.8	-178.9	170.7	-6.2	0	0	112.9	R96 Y97	R96-Q100 WeakPolarHBondContact O-CB 3.29Å; R96-Q100 PolarHBondContact O-N 3.34Å; Y97-Q100 PolarHBondContact O-N 2.68Å
101	Y	98.2	Very high	98.5	Very high	119 Å²	119	67.9 Å²	67.9	47%	0.467	32%	0.318	S	S	.	.	H	α-helix	trans	-106.5	-7.3	-171.9	-61.1	-72.4	0	0	0	113.6	Y97 E103	Y97-Y101 AromaticContact CD1-CD2 3.73Å; Y97-Y101 HydrophobicContact CD1-CD2 3.73Å; Y97-Y101 HydrophobicContact CD1-CG 4.41Å; Y97-Y101 AromaticContact CD2-CD2 3.63Å; Y97-Y101 HydrophobicContact CD2-CD2 3.63Å; Y97-Y101 AromaticContact CD2-CE2 3.73Å; Y97-Y101 HydrophobicContact CD2-CE2 3.73Å; Y97-Y101 AromaticContact CE1-CD2 3.65Å; Y97-Y101 HydrophobicContact CE1-CD2 3.65Å; Y97-Y101 HydrophobicContact CE1-CG 4.04Å; Y97-Y101 AromaticContact CE2-CD2 3.57Å; Y97-Y101 HydrophobicContact CE2-CD2 3.57Å; Y97-Y101 AromaticContact CE2-CE2 3.65Å; Y97-Y101 HydrophobicContact CE2-CE2 3.65Å; Y97-Y101 HydrophobicContact CE2-CG 4.48Å; Y97-Y101 AromaticContact CG-CD2 3.71Å; Y97-Y101 HydrophobicContact CG-CD2 3.71Å; Y97-Y101 HydrophobicContact CG-CE2 4.24Å; Y97-Y101 AromaticContact CZ-CD2 3.56Å; Y97-Y101 WeakPolarHBondContact O-CD2 3.23Å; Y97-Y101 PolarHBondContact O-N 3.11Å; Y101-E103 PolarHBondContact O-N 2.86Å; Y101-E103 VanDerWaalsContact O-N 3.15Å
102	Q	98	Very high	98.5	Very high	147 Å²	147	65.5 Å²	65.5	69%	0.687	31%	0.313	S	S	*	.	S	Bend	trans	57.8	24.1	-177.9	-58.3	-64.9	-49.1	0	0	113.4	L98 L99	L98-Q102 WeakPolarHBondContact O-CA 3.35Å; L98-Q102 PolarHBondContact O-N 2.84Å; L99-Q102 PolarHBondContact O-NE2 2.81Å
103	E	97	Very high	98.5	Very high	69 Å²	69	62.9 Å²	62.9	32%	0.322	30%	0.303	S	S	.	.	S	Bend	trans	-141.8	153.9	173.4	68.8	-179.8	146.6	0	0	110.8	Y97 L98 Y101 K141	Y97-E103 WeakPolarHBondContact CD1-O 3.28Å; Y97-E103 HydrophobicContact CE1-CG 4.06Å; L98-E103 WeakPolarHBondContact CA-O 3.32Å; Y101-E103 PolarHBondContact O-N 2.86Å; Y101-E103 VanDerWaalsContact O-N 3.15Å; E103-K141 IonicContact OE2-NZ 3.63Å; E103-K141 PolarHBondContact OE2-NZ 2.86Å
104	P	97	Very high	98.5	Very high	63 Å²	63	61.5 Å²	61.5	41%	0.409	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-60.5	143.5	174.6	-21.9	33.4	0	0	0	112.1	D71	D71-P104 WeakPolarHBondContact OD2-CB 3.31Å; D71-P104 WeakPolarHBondContact OD2-CG 3.49Å
105	I	98.6	Very high	98.5	Very high	9 Å²	9	61.5 Å²	61.5	5%	0.046	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-63.9	133.2	174.4	-171.1	166.3	0	0	0	110.8	I93 A94 Y97 Q109 L110	I93-I105 HydrophobicContact CG2-CD1 4.1Å; A94-I105 HydrophobicContact CB-CG2 3.93Å; Y97-I105 HydrophobicContact CD1-CB 3.7Å; Y97-I105 HydrophobicContact CD1-CG1 4.24Å; Y97-I105 HydrophobicContact CD2-CB 4.07Å; Y97-I105 HydrophobicContact CD2-CD1 3.76Å; Y97-I105 HydrophobicContact CD2-CG1 3.74Å; Y97-I105 HydrophobicContact CE1-CB 4.26Å; Y97-I105 HydrophobicContact CE2-CD1 4.44Å; Y97-I105 HydrophobicContact CE2-CG1 4.08Å; Y97-I105 HydrophobicContact CG-CB 3.61Å; Y97-I105 HydrophobicContact CG-CD1 4.02Å; Y97-I105 HydrophobicContact CG-CG1 3.83Å; I105-Q109 HydrophobicContact CD1-CB 4.17Å; I105-Q109 HydrophobicContact CG1-CB 3.93Å; I105-L110 HydrophobicContact CD1-CB 3.96Å; I105-L110 HydrophobicContact CD1-CD1 4.23Å; I105-L110 HydrophobicContact CG1-CB 4.24Å; I105-L110 HydrophobicContact CG2-CB 3.92Å; I105-L110 HydrophobicContact CG2-CD1 4.4Å; I105-L110 HydrophobicContact CG2-CD2 4.17Å; I105-L110 HydrophobicContact CG2-CG 4.37Å
106	P	98.6	Very high	98.5	Very high	22 Å²	22	61.4 Å²	61.4	14%	0.143	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-56.5	147.8	170.5	-26	34.4	0	0	0	112.5	E108 Q109 L110	P106-E108 PolarHBondContact O-N 3.35Å; P106-Q109 HydrophobicContact CB-CB 4.39Å; P106-Q109 HydrophobicContact CB-CG 4.17Å; P106-Q109 HydrophobicContact CG-CG 4.39Å; P106-Q109 PolarHBondContact O-N 3.13Å; P106-L110 PolarHBondContact O-N 3.28Å
107	C	98.8	Very high	98.4	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.007	28%	0.284	C	S	.	.	H	α-helix	trans	-59.9	-49.9	-169.5	-66	0	0	0	0	112.5	M72 Q109 L110 V111 D140 Y148	M72-C107 HydrophobicContact CE-CB 3.83Å; M72-C107 HydrophobicContact SD-CB 4.09Å; C107-Q109 VanDerWaalsContact C-N 3.3Å; C107-Q109 PolarHBondContact O-N 2.81Å; C107-L110 PolarHBondContact O-N 3.39Å; C107-V111 WeakPolarHBondContact O-CG2 3.42Å; C107-V111 PolarHBondContact O-N 3.05Å; C107-V111 VanDerWaalsContact O-N 3.16Å; C107-D140 PolarHBondContact N-OD2 3.28Å; C107-Y148 HydrophobicContact CB-CE2 4.18Å
108	E	98.6	Very high	98.4	Very high	73 Å²	73	54.7 Å²	54.7	34%	0.341	28%	0.276	S	S	.	.	H	α-helix	trans	-63.6	-35.7	-178.8	-168.4	179	-173.5	0	0	112.3	P106 L110 V111 T112 Y148 Y156	P106-E108 PolarHBondContact O-N 3.35Å; E108-L110 PolarHBondContact O-N 3.05Å; E108-V111 PolarHBondContact O-N 3.41Å; E108-T112 WeakPolarHBondContact O-CB 3.42Å; E108-T112 PolarHBondContact O-N 2.9Å; E108-T112 PolarHBondContact O-OG1 2.89Å; E108-Y148 HydrophobicContact CB-CE1 4.47Å; E108-Y148 HydrophobicContact CB-CE2 4.47Å; E108-Y148 HydrophobicContact CG-CE1 4.18Å; E108-Y156 HydrophobicContact CG-CE2 3.92Å; E108-Y156 PolarHBondContact OE1-OH 2.91Å
109	Q	98.6	Very high	98.4	Very high	96 Å²	96	55.1 Å²	55.1	45%	0.449	28%	0.277	S	S	.	.	H	α-helix	trans	-65.4	-40.8	179.2	-70.7	-172.6	-6.1	0	0	111.8	I105 P106 C107 T112 A113	I105-Q109 HydrophobicContact CD1-CB 4.17Å; I105-Q109 HydrophobicContact CG1-CB 3.93Å; P106-Q109 HydrophobicContact CB-CB 4.39Å; P106-Q109 HydrophobicContact CB-CG 4.17Å; P106-Q109 HydrophobicContact CG-CG 4.39Å; P106-Q109 PolarHBondContact O-N 3.13Å; C107-Q109 VanDerWaalsContact C-N 3.3Å; C107-Q109 PolarHBondContact O-N 2.81Å; Q109-T112 PolarHBondContact O-N 3.25Å; Q109-A113 WeakPolarHBondContact O-CB 3.36Å; Q109-A113 PolarHBondContact O-N 2.79Å
110	L	98.9	Very high	98.3	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65	-42.1	175.5	-176.5	59.7	0	0	0	111.6	L68 M72 L90 I93 A94 I105 P106 C107 E108 L114	L68-L110 HydrophobicContact CD1-CD2 4.31Å; M72-L110 HydrophobicContact CE-CD2 4.3Å; M72-L110 HydrophobicContact SD-CB 4.06Å; M72-L110 HydrophobicContact SD-CD2 3.56Å; M72-L110 VanDerWaalsContact SD-CD2 3.56Å; M72-L110 HydrophobicContact SD-CG 4.37Å; L90-L110 HydrophobicContact CD2-CD1 3.78Å; L90-L110 HydrophobicContact CD2-CD2 4.18Å; L90-L110 HydrophobicContact CD2-CG 3.65Å; L90-L110 WeakPolarHBondContact O-CD1 3.27Å; I93-L110 HydrophobicContact CB-CD1 3.96Å; I93-L110 HydrophobicContact CG2-CD1 3.73Å; A94-L110 HydrophobicContact CB-CD1 4.21Å; A94-L110 HydrophobicContact CB-CD2 4.21Å; I105-L110 HydrophobicContact CD1-CB 3.96Å; I105-L110 HydrophobicContact CD1-CD1 4.23Å; I105-L110 HydrophobicContact CG1-CB 4.24Å; I105-L110 HydrophobicContact CG2-CB 3.92Å; I105-L110 HydrophobicContact CG2-CD1 4.4Å; I105-L110 HydrophobicContact CG2-CD2 4.17Å; I105-L110 HydrophobicContact CG2-CG 4.37Å; P106-L110 PolarHBondContact O-N 3.28Å; C107-L110 PolarHBondContact O-N 3.39Å; E108-L110 PolarHBondContact O-N 3.05Å; L110-L114 PolarHBondContact O-N 2.96Å
111	V	98.9	Very high	98.1	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-48.7	176.6	174.4	0	0	0	0	110.4	M72 C107 E108 A113 L114 C115 Y136 Y148 Y156	M72-V111 HydrophobicContact CE-CG2 4.26Å; C107-V111 WeakPolarHBondContact O-CG2 3.42Å; C107-V111 PolarHBondContact O-N 3.05Å; C107-V111 VanDerWaalsContact O-N 3.16Å; E108-V111 PolarHBondContact O-N 3.41Å; V111-A113 PolarHBondContact O-N 3.24Å; V111-L114 PolarHBondContact O-N 3.24Å; V111-C115 WeakPolarHBondContact O-CB 3.37Å; V111-C115 PolarHBondContact O-N 2.86Å; V111-C115 PolarHBondContact O-SG 2.94Å; V111-Y136 HydrophobicContact CG1-CD2 4.49Å; V111-Y136 HydrophobicContact CG1-CE2 4.26Å; V111-Y136 HydrophobicContact CG2-CD1 3.95Å; V111-Y136 HydrophobicContact CG2-CD2 4.01Å; V111-Y136 HydrophobicContact CG2-CE1 4.28Å; V111-Y136 HydrophobicContact CG2-CE2 4.37Å; V111-Y136 HydrophobicContact CG2-CG 3.8Å; V111-Y148 HydrophobicContact CG2-CD2 4.2Å; V111-Y148 HydrophobicContact CG2-CG 4.12Å; V111-Y156 HydrophobicContact CG1-CD2 3.81Å; V111-Y156 HydrophobicContact CG1-CG 3.81Å
112	T	98.8	Very high	97.9	Very high	35 Å²	35	42 Å²	42	22%	0.215	22%	0.218	C	C	.	.	H	α-helix	trans	-59.2	-46.9	-179.8	-55.1	0	0	0	0	111.2	E108 Q109 L114 C115 D116 Y156	E108-T112 WeakPolarHBondContact O-CB 3.42Å; E108-T112 PolarHBondContact O-N 2.9Å; E108-T112 PolarHBondContact O-OG1 2.89Å; Q109-T112 PolarHBondContact O-N 3.25Å; T112-L114 VanDerWaalsContact C-N 3.3Å; T112-L114 PolarHBondContact O-N 2.86Å; T112-C115 CarbonylContact O-C 3.57Å; T112-C115 WeakPolarHBondContact O-CA 3.25Å; T112-C115 WeakPolarHBondContact O-CB 3.24Å; T112-C115 PolarHBondContact O-N 2.9Å; T112-D116 PolarHBondContact O-N 3.03Å; T112-Y156 HydrophobicContact CG2-CE1 4.25Å; T112-Y156 PolarHBondContact OG1-OH 2.85Å
113	A	98.8	Very high	97.6	Very high	29 Å²	29	39.8 Å²	39.8	24%	0.24	21%	0.208	C	C	.	.	H	α-helix	trans	-58.8	-39.8	-180	0	0	0	0	0	112.7	I93 Q109 V111 I117	I93-A113 HydrophobicContact CD1-CB 4.12Å; I93-A113 HydrophobicContact CG2-CB 4.11Å; Q109-A113 WeakPolarHBondContact O-CB 3.36Å; Q109-A113 PolarHBondContact O-N 2.79Å; V111-A113 PolarHBondContact O-N 3.24Å; A113-I117 WeakPolarHBondContact O-CG1 3.4Å; A113-I117 PolarHBondContact O-N 3.13Å
114	L	98.7	Very high	97.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-71.2	-36.4	173.9	-168.5	74.8	0	0	0	112.1	L86 E89 L90 L110 V111 T112 D116 I117 K118 L134 Y136	L86-L114 HydrophobicContact CB-CD1 4.2Å; L86-L114 HydrophobicContact CB-CD2 4.33Å; L86-L114 HydrophobicContact CD2-CD1 3.78Å; L86-L114 HydrophobicContact CD2-CG 4.31Å; E89-L114 HydrophobicContact CB-CD1 4.36Å; E89-L114 HydrophobicContact CG-CD1 4.47Å; L90-L114 HydrophobicContact CD1-CD2 3.73Å; L90-L114 HydrophobicContact CD2-CB 3.77Å; L90-L114 HydrophobicContact CD2-CD1 4.31Å; L90-L114 HydrophobicContact CD2-CD2 3.93Å; L90-L114 HydrophobicContact CD2-CG 4.2Å; L90-L114 HydrophobicContact CG-CB 4.31Å; L90-L114 HydrophobicContact CG-CD1 3.93Å; L90-L114 HydrophobicContact CG-CD2 3.78Å; L90-L114 HydrophobicContact CG-CG 4.19Å; L110-L114 PolarHBondContact O-N 2.96Å; V111-L114 PolarHBondContact O-N 3.24Å; T112-L114 VanDerWaalsContact C-N 3.3Å; T112-L114 PolarHBondContact O-N 2.86Å; L114-D116 VanDerWaalsContact C-N 3.34Å; L114-I117 WeakPolarHBondContact O-CB 3.48Å; L114-I117 PolarHBondContact O-N 3.01Å; L114-K118 PolarHBondContact O-N 2.8Å; L114-L134 HydrophobicContact CD2-CD2 4.27Å; L114-Y136 HydrophobicContact CD2-CE1 4.44Å; L114-Y136 WeakPolarHBondContact CD2-OH 3.22Å
115	C	98.7	Very high	96.6	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.014	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-38.1	179.9	-72.3	0	0	0	0	111.9	V111 T112 I117 K118 Q119 S150 G154 Y156	V111-C115 WeakPolarHBondContact O-CB 3.37Å; V111-C115 PolarHBondContact O-N 2.86Å; V111-C115 PolarHBondContact O-SG 2.94Å; T112-C115 CarbonylContact O-C 3.57Å; T112-C115 WeakPolarHBondContact O-CA 3.25Å; T112-C115 WeakPolarHBondContact O-CB 3.24Å; T112-C115 PolarHBondContact O-N 2.9Å; C115-I117 VanDerWaalsContact C-N 3.29Å; C115-I117 PolarHBondContact O-N 2.99Å; C115-K118 PolarHBondContact O-N 2.82Å; C115-Q119 WeakPolarHBondContact O-CB 3.43Å; C115-Q119 PolarHBondContact O-N 3.11Å; C115-S150 WeakPolarHBondContact SG-CB 3.47Å; C115-G154 VanDerWaalsContact CB-O 3.26Å; C115-G154 WeakPolarHBondContact CB-O 3.44Å; C115-G154 WeakPolarHBondContact O-CA 3.41Å; C115-Y156 HydrophobicContact CB-CD1 3.87Å
116	D	98.7	Very high	96.1	Very high	100 Å²	100	45.6 Å²	45.6	54%	0.535	27%	0.268	S	S	.	.	H	α-helix	trans	-59.9	-40.4	171.1	-68.8	-23.2	0	0	0	111.5	T112 L114 Q119 A120	T112-D116 PolarHBondContact O-N 3.03Å; L114-D116 VanDerWaalsContact C-N 3.34Å; D116-Q119 PolarHBondContact O-N 3.5Å; D116-A120 WeakPolarHBondContact O-CB 3.48Å; D116-A120 PolarHBondContact O-N 3.23Å
117	I	98.2	Very high	95.7	Very high	50 Å²	50	48.6 Å²	48.6	26%	0.256	28%	0.279	S	S	.	.	H	α-helix	trans	-64.5	-47.2	175.2	-65	170.9	0	0	0	110.9	E89 I93 A113 L114 C115 Q119 A120 Y121 F130	E89-I117 HydrophobicContact CG-CD1 3.59Å; I93-I117 HydrophobicContact CD1-CD1 4.04Å; A113-I117 WeakPolarHBondContact O-CG1 3.4Å; A113-I117 PolarHBondContact O-N 3.13Å; L114-I117 WeakPolarHBondContact O-CB 3.48Å; L114-I117 PolarHBondContact O-N 3.01Å; C115-I117 VanDerWaalsContact C-N 3.29Å; C115-I117 PolarHBondContact O-N 2.99Å; I117-Q119 VanDerWaalsContact C-N 3.34Å; I117-Q119 PolarHBondContact O-N 3.27Å; I117-A120 PolarHBondContact O-N 2.66Å; I117-Y121 HydrophobicContact CG2-CE2 4.35Å; I117-Y121 VanDerWaalsContact O-CD2 3.25Å; I117-Y121 WeakPolarHBondContact O-CD2 3.15Å; I117-Y121 PolarHBondContact O-N 2.82Å; I117-F130 HydrophobicContact CG2-CE2 4.38Å
118	K	98.2	Very high	95.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-59.6	-46.8	177	-75.5	171.4	149	-153.7	0	111.2	L86 L114 C115 A120 Y121 F130 V132 S150 D151	L86-K118 HydrophobicContact CD2-CG 4.33Å; L114-K118 PolarHBondContact O-N 2.8Å; C115-K118 PolarHBondContact O-N 2.82Å; K118-A120 PolarHBondContact O-N 2.98Å; K118-Y121 WeakPolarHBondContact O-CB 3.25Å; K118-Y121 PolarHBondContact O-N 2.89Å; K118-Y121 VanDerWaalsContact O-N 3.12Å; K118-F130 HydrophobicContact CG-CD2 4.12Å; K118-V132 PolarHBondContact NZ-O 2.8Å; K118-S150 PolarHBondContact NZ-OG 2.59Å; K118-D151 WeakPolarHBondContact CD-O 3.46Å; K118-D151 PolarHBondContact NZ-O 3.35Å
119	Q	97.3	Very high	95.4	Very high	74 Å²	74	51.5 Å²	51.5	35%	0.346	29%	0.288	S	S	.	.	H	α-helix	trans	-65.4	-38.8	-178	-163.2	-94.9	6.5	0	0	111.5	C115 D116 I117 Y121 T122 S153	C115-Q119 WeakPolarHBondContact O-CB 3.43Å; C115-Q119 PolarHBondContact O-N 3.11Å; D116-Q119 PolarHBondContact O-N 3.5Å; I117-Q119 VanDerWaalsContact C-N 3.34Å; I117-Q119 PolarHBondContact O-N 3.27Å; Q119-Y121 PolarHBondContact O-N 2.86Å; Q119-T122 WeakPolarHBondContact O-CB 3.48Å; Q119-T122 PolarHBondContact O-N 2.81Å; Q119-T122 PolarHBondContact O-OG1 2.82Å; Q119-S153 WeakPolarHBondContact CA-O 3.38Å; Q119-S153 WeakPolarHBondContact CB-O 3.27Å; Q119-S153 VanDerWaalsContact CG-O 3.27Å; Q119-S153 WeakPolarHBondContact CG-O 3.1Å
120	A	96.3	Very high	95.3	Very high	26 Å²	26	47.6 Å²	47.6	22%	0.215	27%	0.269	C	S	.	.	H	α-helix	trans	-57.9	-31.8	174.2	0	0	0	0	0	112.7	D116 I117 K118 T122 Q123 F124	D116-A120 WeakPolarHBondContact O-CB 3.48Å; D116-A120 PolarHBondContact O-N 3.23Å; I117-A120 PolarHBondContact O-N 2.66Å; K118-A120 PolarHBondContact O-N 2.98Å; A120-T122 PolarHBondContact O-N 2.94Å; A120-Q123 PolarHBondContact O-N 3.01Å; A120-Q123 VanDerWaalsContact O-N 3.14Å; A120-F124 HydrophobicContact CB-CE2 4.34Å; A120-F124 WeakPolarHBondContact O-CD2 3.48Å
121	Y	95.1	Very high	95.2	Very high	73 Å²	73	47.7 Å²	47.7	29%	0.286	27%	0.271	S	S	.	.	H	α-helix	trans	-70.8	-9.8	176.1	-84.1	-119.2	0	0	0	113.6	I117 K118 Q119 K127 R128 F130	I117-Y121 HydrophobicContact CG2-CE2 4.35Å; I117-Y121 VanDerWaalsContact O-CD2 3.25Å; I117-Y121 WeakPolarHBondContact O-CD2 3.15Å; I117-Y121 PolarHBondContact O-N 2.82Å; K118-Y121 WeakPolarHBondContact O-CB 3.25Å; K118-Y121 PolarHBondContact O-N 2.89Å; K118-Y121 VanDerWaalsContact O-N 3.12Å; Q119-Y121 PolarHBondContact O-N 2.86Å; Y121-K127 HydrophobicContact CD1-CB 3.8Å; Y121-K127 HydrophobicContact CD1-CD 3.77Å; Y121-K127 HydrophobicContact CD1-CG 4.16Å; Y121-K127 HydrophobicContact CD2-CD 4.09Å; Y121-K127 HydrophobicContact CE1-CB 4.36Å; Y121-K127 HydrophobicContact CE1-CD 3.88Å; Y121-K127 HydrophobicContact CE1-CG 4.3Å; Y121-K127 HydrophobicContact CE2-CD 4.23Å; Y121-K127 HydrophobicContact CG-CB 4.31Å; Y121-K127 HydrophobicContact CG-CD 3.89Å; Y121-R128 WeakPolarHBondContact CD1-O 3.13Å; Y121-F130 HydrophobicContact CD1-CD2 4.41Å; Y121-F130 AromaticContact CD1-CE2 3.81Å; Y121-F130 HydrophobicContact CD1-CE2 3.81Å; Y121-F130 HydrophobicContact CD1-CZ 4.1Å; Y121-F130 AromaticContact CD2-CE2 3.64Å; Y121-F130 HydrophobicContact CD2-CE2 3.64Å; Y121-F130 HydrophobicContact CD2-CZ 4.24Å; Y121-F130 AromaticContact CE1-CE2 3.95Å; Y121-F130 HydrophobicContact CE1-CE2 3.95Å; Y121-F130 AromaticContact CE1-CZ 3.76Å; Y121-F130 HydrophobicContact CE1-CZ 3.76Å; Y121-F130 AromaticContact CE2-CE2 3.74Å; Y121-F130 HydrophobicContact CE2-CE2 3.74Å; Y121-F130 AromaticContact CE2-CZ 3.88Å; Y121-F130 HydrophobicContact CE2-CZ 3.88Å; Y121-F130 HydrophobicContact CG-CD2 4.26Å; Y121-F130 AromaticContact CG-CE2 3.66Å; Y121-F130 HydrophobicContact CG-CE2 3.66Å; Y121-F130 HydrophobicContact CG-CZ 4.33Å; Y121-F130 AromaticContact CZ-CE2 3.89Å; Y121-F130 AromaticContact CZ-CZ 3.62Å
122	T	93.8	Very high	95.1	Very high	12 Å²	12	47.7 Å²	47.7	7%	0.074	27%	0.271	C	S	.	.	H	α-helix	trans	-91.9	-15.2	172.8	77.1	0	0	0	0	112.8	V21 Q119 A120	V21-T122 HydrophobicContact CG2-CG2 3.71Å; Q119-T122 WeakPolarHBondContact O-CB 3.48Å; Q119-T122 PolarHBondContact O-N 2.81Å; Q119-T122 PolarHBondContact O-OG1 2.82Å; A120-T122 PolarHBondContact O-N 2.94Å
123	Q	91.2	Very high	95.1	Very high	102 Å²	102	46.4 Å²	46.4	48%	0.477	26%	0.263	S	S	.	.	H	α-helix	trans	-99.8	-21.6	-173	-63.3	-173.5	-4.4	0	0	114.5	T10 A120	T10-Q123 WeakPolarHBondContact CG2-O 3.48Å; A120-Q123 PolarHBondContact O-N 3.01Å; A120-Q123 VanDerWaalsContact O-N 3.14Å
124	F	88.8	Confident	95.1	Very high	112 Å²	112	45 Å²	45	49%	0.491	25%	0.252	S	S	.	.	S	Bend	trans	-109.5	136.2	-178	-59.4	-70.6	0	0	0	111.8	T9 A120 K127	T9-F124 PolarHBondContact OG1-O 3.21Å; A120-F124 HydrophobicContact CB-CE2 4.34Å; A120-F124 WeakPolarHBondContact O-CD2 3.48Å; F124-K127 HydrophobicContact CB-CD 4.45Å
125	G	85.9	Confident	95.1	Very high	58 Å²	58	45 Å²	45	60%	0.598	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	157.4	171.4	0	0	0	0	0	112.2	K127	G125-K127 PolarHBondContact O-N 3.37Å
126	G	87	Confident	95.2	Very high	92 Å²	92	45 Å²	45	95%	0.948	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	-1.2	-179.1	0	0	0	0	0	114.7
127	K	90.8	Very high	95.2	Very high	85 Å²	85	40.2 Å²	40.2	37%	0.37	23%	0.226	S	C	.	.			trans	-108.6	156.2	170.5	-63	-173.2	177	-169.9	0	109.9	T9 Y121 F124 G125	T9-K127 WeakPolarHBondContact CG2-O 3.42Å; Y121-K127 HydrophobicContact CD1-CB 3.8Å; Y121-K127 HydrophobicContact CD1-CD 3.77Å; Y121-K127 HydrophobicContact CD1-CG 4.16Å; Y121-K127 HydrophobicContact CD2-CD 4.09Å; Y121-K127 HydrophobicContact CE1-CB 4.36Å; Y121-K127 HydrophobicContact CE1-CD 3.88Å; Y121-K127 HydrophobicContact CE1-CG 4.3Å; Y121-K127 HydrophobicContact CE2-CD 4.23Å; Y121-K127 HydrophobicContact CG-CB 4.31Å; Y121-K127 HydrophobicContact CG-CD 3.89Å; F124-K127 HydrophobicContact CB-CD 4.45Å; G125-K127 PolarHBondContact O-N 3.37Å
128	R	93.1	Very high	95.2	Very high	130 Å²	130	38 Å²	38	49%	0.491	21%	0.214	S	C	.	.			trans	-115.3	149.2	167	62.8	170.3	-178	73.9	0.4	109.3	D82 Y121	D82-R128 IonicContact OD1-CZ 3.67Å; D82-R128 IonicContact OD1-NH1 3.55Å; D82-R128 IonicContact OD1-NH2 2.84Å; D82-R128 PolarHBondContact OD1-NH2 3.21Å; D82-R128 IonicContact OD2-CZ 3.6Å; D82-R128 IonicContact OD2-NH1 2.9Å; D82-R128 PolarHBondContact OD2-NH1 2.92Å; D82-R128 IonicContact OD2-NH2 3.53Å; Y121-R128 WeakPolarHBondContact CD1-O 3.13Å
129	P	96.4	Very high	95.2	Very high	6 Å²	6	40.8 Å²	40.8	4%	0.039	23%	0.225	C	C	.	.			trans	-57.3	150.5	172.3	-22	34.6	0	0	0	110.9	T9 Q20 V21 A24 G131 P152	T9-P129 HydrophobicContact CG2-CG 4.46Å; Q20-P129 HydrophobicContact CB-CG 4.43Å; V21-P129 HydrophobicContact CG2-CG 3.96Å; A24-P129 HydrophobicContact CB-CB 4.24Å; P129-G131 PolarHBondContact O-N 2.87Å; P129-P152 HydrophobicContact CB-CB 4.16Å
130	F	97.4	Very high	95.2	Very high	13 Å²	13	37.9 Å²	37.9	6%	0.057	21%	0.212	C	C	.	.			trans	-68.3	125.8	171.4	-67.6	-84.1	0	0	0	109.1	D82 V85 L86 I117 K118 Y121 V132 P152	D82-F130 HydrophobicContact CB-CD1 4.04Å; D82-F130 WeakPolarHBondContact OD2-CA 3.23Å; V85-F130 HydrophobicContact CG1-CE1 4.27Å; L86-F130 HydrophobicContact CD1-CB 3.92Å; L86-F130 HydrophobicContact CD1-CD1 4.11Å; L86-F130 HydrophobicContact CD1-CG 3.97Å; L86-F130 HydrophobicContact CD2-CD1 3.96Å; L86-F130 HydrophobicContact CD2-CD2 3.98Å; L86-F130 HydrophobicContact CD2-CE1 3.91Å; L86-F130 HydrophobicContact CD2-CE2 3.93Å; L86-F130 HydrophobicContact CD2-CG 3.99Å; L86-F130 HydrophobicContact CD2-CZ 3.9Å; L86-F130 HydrophobicContact CG-CD1 3.97Å; L86-F130 HydrophobicContact CG-CE1 4.23Å; L86-F130 HydrophobicContact CG-CG 4.21Å; I117-F130 HydrophobicContact CG2-CE2 4.38Å; K118-F130 HydrophobicContact CG-CD2 4.12Å; Y121-F130 HydrophobicContact CD1-CD2 4.41Å; Y121-F130 AromaticContact CD1-CE2 3.81Å; Y121-F130 HydrophobicContact CD1-CE2 3.81Å; Y121-F130 HydrophobicContact CD1-CZ 4.1Å; Y121-F130 AromaticContact CD2-CE2 3.64Å; Y121-F130 HydrophobicContact CD2-CE2 3.64Å; Y121-F130 HydrophobicContact CD2-CZ 4.24Å; Y121-F130 AromaticContact CE1-CE2 3.95Å; Y121-F130 HydrophobicContact CE1-CE2 3.95Å; Y121-F130 AromaticContact CE1-CZ 3.76Å; Y121-F130 HydrophobicContact CE1-CZ 3.76Å; Y121-F130 AromaticContact CE2-CE2 3.74Å; Y121-F130 HydrophobicContact CE2-CE2 3.74Å; Y121-F130 AromaticContact CE2-CZ 3.88Å; Y121-F130 HydrophobicContact CE2-CZ 3.88Å; Y121-F130 HydrophobicContact CG-CD2 4.26Å; Y121-F130 AromaticContact CG-CE2 3.66Å; Y121-F130 HydrophobicContact CG-CE2 3.66Å; Y121-F130 HydrophobicContact CG-CZ 4.33Å; Y121-F130 AromaticContact CZ-CE2 3.89Å; Y121-F130 AromaticContact CZ-CZ 3.62Å; F130-V132 PolarHBondContact O-N 3.49Å; F130-P152 WeakPolarHBondContact O-CB 3Å; F130-P152 VanDerWaalsContact O-CG 3.27Å; F130-P152 WeakPolarHBondContact O-CG 3.4Å
131	G	96.9	Very high	95.2	Very high	3 Å²	3	43 Å²	43	3%	0.031	23%	0.229	C	C	.	.	S	Bend	trans	-78.9	45.2	-179.2	0	0	0	0	0	113	G78 I79 D82 P129	G78-G131 CarbonylContact C-O 3.53Å; G78-G131 WeakPolarHBondContact CA-O 3.27Å; I79-G131 PolarHBondContact N-O 2.8Å; D82-G131 PolarHBondContact OD2-N 2.84Å; P129-G131 PolarHBondContact O-N 2.87Å
132	V	97.8	Very high	95.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	127	-172.8	-172.8	0	0	0	0	112.6	V76 A77 I79 D82 A83 L86 K118 F130 L134	V76-V132 HydrophobicContact CB-CG1 4.16Å; A77-V132 WeakPolarHBondContact O-CA 3.41Å; I79-V132 HydrophobicContact CB-CG2 4.48Å; I79-V132 WeakPolarHBondContact O-CG2 3.29Å; D82-V132 HydrophobicContact CB-CG2 3.54Å; A83-V132 HydrophobicContact CB-CG1 4.01Å; A83-V132 HydrophobicContact CB-CG2 4.07Å; L86-V132 HydrophobicContact CD1-CB 4.33Å; K118-V132 PolarHBondContact NZ-O 2.8Å; F130-V132 PolarHBondContact O-N 3.49Å; V132-L134 HydrophobicContact CB-CD1 4.36Å; V132-L134 HydrophobicContact CG1-CD1 3.69Å; V132-L134 HydrophobicContact CG1-CG 4.27Å
133	S	98.6	Very high	95.5	Very high	8 Å²	8	52.2 Å²	52.2	6%	0.056	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	145.1	160.7	-77.5	0	0	0	0	110.1	I28 A77 S150 I164	I28-S133 VanDerWaalsContact CD1-N 3.33Å; A77-S133 PolarHBondContact N-O 2.83Å; A77-S133 PolarHBondContact O-N 2.86Å; S133-S150 WeakPolarHBondContact CA-O 3.49Å; S133-S150 WeakPolarHBondContact CB-O 3.38Å; S133-S150 PolarHBondContact OG-O 2.82Å; S133-I164 WeakPolarHBondContact O-CD1 3.21Å
134	L	98.7	Very high	95.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	138.9	178.7	-70.7	86.7	0	0	0	109.3	C74 S75 V76 L86 L90 L114 V132 Y136 Q149 S150	C74-L134 HydrophobicContact CB-CD2 4.29Å; S75-L134 WeakPolarHBondContact O-CA 3.48Å; V76-L134 HydrophobicContact CG1-CD2 4.4Å; V76-L134 HydrophobicContact CG1-CG 4.3Å; L86-L134 HydrophobicContact CD1-CD1 4.1Å; L90-L134 HydrophobicContact CD1-CD2 3.95Å; L114-L134 HydrophobicContact CD2-CD2 4.27Å; V132-L134 HydrophobicContact CB-CD1 4.36Å; V132-L134 HydrophobicContact CG1-CD1 3.69Å; V132-L134 HydrophobicContact CG1-CG 4.27Å; L134-Y136 HydrophobicContact CB-CD2 4.28Å; L134-Y136 HydrophobicContact CB-CE1 4.16Å; L134-Y136 HydrophobicContact CB-CE2 3.53Å; L134-Y136 VanDerWaalsContact CB-CZ 3.47Å; L134-Y136 HydrophobicContact CD2-CE1 3.98Å; L134-Q149 CarbonylContact O-C 3.55Å; L134-Q149 WeakPolarHBondContact O-CA 3.29Å; L134-S150 PolarHBondContact N-O 2.85Å; L134-S150 PolarHBondContact O-N 3.17Å
135	L	98.9	Very high	96.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	133.2	158.4	-60.4	-177.9	0	0	0	108.6	C34 L35 L45 C74 S75 L147 Y148 Q149 T162 I164	C34-L135 HydrophobicContact CB-CD1 4.4Å; L35-L135 VanDerWaalsContact C-CD1 3.47Å; L45-L135 HydrophobicContact CD2-CB 3.63Å; L45-L135 HydrophobicContact CD2-CD1 4.34Å; C74-L135 CarbonylContact C-O 3.54Å; C74-L135 WeakPolarHBondContact CA-O 3.39Å; C74-L135 VanDerWaalsContact CB-O 3.24Å; C74-L135 WeakPolarHBondContact CB-O 3.26Å; S75-L135 PolarHBondContact N-O 3.16Å; S75-L135 PolarHBondContact O-N 3.38Å; L135-L147 HydrophobicContact CB-CD1 4.43Å; L135-Y148 CarbonylContact C-O 3.59Å; L135-Y148 WeakPolarHBondContact CA-O 3.46Å; L135-Q149 HydrophobicContact CD2-CB 3.66Å; L135-Q149 HydrophobicContact CD2-CG 3.77Å; L135-T162 HydrophobicContact CD1-CG2 4.36Å; L135-T162 HydrophobicContact CD2-CG2 3.51Å; L135-I164 HydrophobicContact CD1-CG1 4.18Å; L135-I164 HydrophobicContact CD2-CD1 4.23Å; L135-I164 HydrophobicContact CD2-CG1 4.34Å; L135-I164 HydrophobicContact CD2-CG2 4Å; L135-I164 HydrophobicContact CG-CD1 3.75Å; L135-I164 HydrophobicContact CG-CG1 3.89Å; L135-I164 HydrophobicContact CG-CG2 4.48Å
136	Y	98.9	Very high	96.9	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	134.7	-178.9	-50.4	-102.8	0	0	0	108.6	L68 A73 C74 L90 V111 L114 L134 L147 Y148 S150	L68-Y136 HydrophobicContact CD1-CD1 4.07Å; A73-Y136 WeakPolarHBondContact O-CA 3.41Å; C74-Y136 HydrophobicContact CB-CD1 3.99Å; C74-Y136 HydrophobicContact CB-CE1 4.44Å; C74-Y136 HydrophobicContact CB-CG 4.46Å; L90-Y136 HydrophobicContact CD1-CE1 3.88Å; L90-Y136 HydrophobicContact CD2-CE1 4.2Å; V111-Y136 HydrophobicContact CG1-CD2 4.49Å; V111-Y136 HydrophobicContact CG1-CE2 4.26Å; V111-Y136 HydrophobicContact CG2-CD1 3.95Å; V111-Y136 HydrophobicContact CG2-CD2 4.01Å; V111-Y136 HydrophobicContact CG2-CE1 4.28Å; V111-Y136 HydrophobicContact CG2-CE2 4.37Å; V111-Y136 HydrophobicContact CG2-CG 3.8Å; L114-Y136 HydrophobicContact CD2-CE1 4.44Å; L114-Y136 WeakPolarHBondContact CD2-OH 3.22Å; L134-Y136 HydrophobicContact CB-CD2 4.28Å; L134-Y136 HydrophobicContact CB-CE1 4.16Å; L134-Y136 HydrophobicContact CB-CE2 3.53Å; L134-Y136 VanDerWaalsContact CB-CZ 3.47Å; L134-Y136 HydrophobicContact CD2-CE1 3.98Å; Y136-L147 CarbonylContact O-C 3.4Å; Y136-L147 VanDerWaalsContact O-CA 3.29Å; Y136-L147 WeakPolarHBondContact O-CA 3.42Å; Y136-L147 WeakPolarHBondContact O-CD1 3.46Å; Y136-Y148 PolarHBondContact N-O 2.78Å; Y136-Y148 PolarHBondContact O-N 3.28Å; Y136-S150 WeakPolarHBondContact CE2-OG 3.43Å; Y136-S150 PolarHBondContact OH-OG 2.69Å
137	I	98.8	Very high	97.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	139.8	165.7	60.9	172.6	0	0	0	108.5	V43 L45 M72 A73 Q146 L147 L216	V43-I137 HydrophobicContact CB-CB 4.48Å; V43-I137 HydrophobicContact CB-CG2 4.38Å; V43-I137 HydrophobicContact CG1-CB 3.72Å; V43-I137 HydrophobicContact CG1-CG2 4.14Å; V43-I137 HydrophobicContact CG2-CB 3.97Å; V43-I137 HydrophobicContact CG2-CG2 3.43Å; V43-I137 VanDerWaalsContact CG2-CG2 3.43Å; L45-I137 HydrophobicContact CD1-CB 4.45Å; L45-I137 HydrophobicContact CD1-CD1 4.01Å; L45-I137 HydrophobicContact CD1-CG1 3.77Å; L45-I137 HydrophobicContact CD1-CG2 4.06Å; L45-I137 HydrophobicContact CD2-CG2 3.68Å; L45-I137 HydrophobicContact CG-CB 4.34Å; L45-I137 HydrophobicContact CG-CD1 3.94Å; L45-I137 HydrophobicContact CG-CG1 4Å; L45-I137 HydrophobicContact CG-CG2 3.5Å; L45-I137 VanDerWaalsContact CG-CG2 3.5Å; M72-I137 VanDerWaalsContact CA-O 3.24Å; M72-I137 WeakPolarHBondContact CA-O 3.33Å; A73-I137 HydrophobicContact CB-CD1 4.42Å; A73-I137 HydrophobicContact CB-CG1 4.03Å; A73-I137 PolarHBondContact N-O 2.98Å; A73-I137 PolarHBondContact O-N 2.87Å; A73-I137 VanDerWaalsContact O-O 3.12Å; I137-Q146 WeakPolarHBondContact CA-O 3.45Å; I137-L147 HydrophobicContact CG2-CD1 4.06Å; I137-L216 HydrophobicContact CD1-CB 3.79Å; I137-L216 HydrophobicContact CD1-CD1 4.46Å; I137-L216 HydrophobicContact CG1-CB 4.41Å; I137-L216 HydrophobicContact CG1-CD1 4.23Å
138	G	98.8	Very high	97.8	Very high	2 Å²	2	35.3 Å²	35.3	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	166.8	179.9	0	0	0	0	0	113.1	D71 F145 Q146	D71-G138 CarbonylContact O-C 3.58Å; D71-G138 WeakPolarHBondContact O-CA 3.35Å; G138-F145 CarbonylContact O-C 3.57Å; G138-F145 WeakPolarHBondContact O-CA 3.41Å; G138-Q146 PolarHBondContact N-O 3.02Å; G138-Q146 PolarHBondContact O-N 2.82Å
139	W	98.7	Very high	98.1	Very high	59 Å²	59	30.9 Å²	30.9	22%	0.223	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	135.7	165	-176.4	98.1	0	0	0	109.8	D71 K141 G144 F145 L216 R218	D71-W139 WeakPolarHBondContact CB-O 3.36Å; D71-W139 PolarHBondContact O-N 3.39Å; W139-K141 HydrophobicContact CH2-CB 4.34Å; W139-G144 VanDerWaalsContact CA-O 3.29Å; W139-G144 WeakPolarHBondContact CA-O 3.29Å; W139-F145 HydrophobicContact CB-CD1 4.12Å; W139-F145 HydrophobicContact CB-CE1 4.41Å; W139-F145 AromaticContact CD1-CD1 3.53Å; W139-F145 AromaticContact CD1-CE1 3.67Å; W139-F145 AromaticContact CD1-CG 3.87Å; W139-F145 HydrophobicContact CG-CD1 4.22Å; W139-F145 HydrophobicContact CG-CE1 4.34Å; W139-L216 HydrophobicContact CB-CD2 3.8Å; W139-R218 HydrophobicContact CD2-CG 4.32Å; W139-R218 HydrophobicContact CG-CG 4.14Å; W139-R218 VanDerWaalsContact CH2-NH2 3.34Å; W139-R218 VanDerWaalsContact CZ3-CZ 3.45Å
140	D	98.1	Very high	98.2	Very high	13 Å²	13	30.6 Å²	30.6	7%	0.07	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	168.3	166.1	67.3	46.6	0	0	0	111.9	C107 H142 Y143 G144 Q146	C107-D140 PolarHBondContact N-OD2 3.28Å; D140-H142 PolarHBondContact O-N 2.89Å; D140-H142 WeakPolarHBondContact OD1-CA 3.4Å; D140-H142 WeakPolarHBondContact OD1-CB 3.33Å; D140-H142 PolarHBondContact OD1-N 3.01Å; D140-Y143 PolarHBondContact OD1-N 3.23Å; D140-G144 PolarHBondContact N-O 2.95Å; D140-G144 VanDerWaalsContact O-CA 3.24Å; D140-G144 WeakPolarHBondContact O-CA 3.4Å; D140-G144 PolarHBondContact O-N 2.92Å; D140-Q146 PolarHBondContact OD1-NE2 2.85Å; D140-Q146 PolarHBondContact OD2-NE2 2.93Å
141	K	96	Very high	98.2	Very high	133 Å²	133	31 Å²	31	58%	0.578	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-14.1	-177.1	68	-171.9	-179.7	-170.7	0	114.1	E103 W139	E103-K141 IonicContact OE2-NZ 3.63Å; E103-K141 PolarHBondContact OE2-NZ 2.86Å; W139-K141 HydrophobicContact CH2-CB 4.34Å
142	H	96.6	Very high	98.3	Very high	115 Å²	115	30.9 Å²	30.9	53%	0.532	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-44.5	-174	-59.5	-73.2	0	0	0	111.6	D140	D140-H142 PolarHBondContact O-N 2.89Å; D140-H142 WeakPolarHBondContact OD1-CA 3.4Å; D140-H142 WeakPolarHBondContact OD1-CB 3.33Å; D140-H142 PolarHBondContact OD1-N 3.01Å
143	Y	97.2	Very high	98.2	Very high	164 Å²	164	31.9 Å²	31.9	64%	0.643	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.4	-1.5	-173.2	-58.6	-66.4	0	0	0	113.7	D140	D140-Y143 PolarHBondContact OD1-N 3.23Å
144	G	98	Very high	98.2	Very high	18 Å²	18	32 Å²	32	19%	0.186	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.2	-141.2	-178.9	0	0	0	0	0	111.6	W139 D140 Q146	W139-G144 VanDerWaalsContact CA-O 3.29Å; W139-G144 WeakPolarHBondContact CA-O 3.29Å; D140-G144 PolarHBondContact N-O 2.95Å; D140-G144 VanDerWaalsContact O-CA 3.24Å; D140-G144 WeakPolarHBondContact O-CA 3.4Å; D140-G144 PolarHBondContact O-N 2.92Å; G144-Q146 PolarHBondContact O-NE2 2.87Å
145	F	98.6	Very high	98.1	Very high	35 Å²	35	37.2 Å²	37.2	15%	0.154	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	132.8	179.4	-62.4	-64.5	0	0	0	111	L38 D41 V43 G138 W139 L216 R218	L38-F145 HydrophobicContact CD1-CB 3.49Å; L38-F145 VanDerWaalsContact CD1-CB 3.49Å; L38-F145 WeakPolarHBondContact CD1-O 3.47Å; D41-F145 VanDerWaalsContact C-CE2 3.49Å; V43-F145 HydrophobicContact CB-CB 4.48Å; V43-F145 HydrophobicContact CG1-CB 4.48Å; V43-F145 HydrophobicContact CG1-CD1 4.17Å; G138-F145 CarbonylContact O-C 3.57Å; G138-F145 WeakPolarHBondContact O-CA 3.41Å; W139-F145 HydrophobicContact CB-CD1 4.12Å; W139-F145 HydrophobicContact CB-CE1 4.41Å; W139-F145 AromaticContact CD1-CD1 3.53Å; W139-F145 AromaticContact CD1-CE1 3.67Å; W139-F145 AromaticContact CD1-CG 3.87Å; W139-F145 HydrophobicContact CG-CD1 4.22Å; W139-F145 HydrophobicContact CG-CE1 4.34Å; F145-L216 HydrophobicContact CD1-CD2 3.73Å; F145-L216 HydrophobicContact CE1-CD2 3.66Å; F145-R218 HydrophobicContact CE1-CG 3.73Å; F145-R218 HydrophobicContact CE2-CG 4.46Å; F145-R218 HydrophobicContact CZ-CB 4.15Å; F145-R218 HydrophobicContact CZ-CG 3.5Å
146	Q	98.8	Very high	98.1	Very high	13 Å²	13	41.5 Å²	41.5	6%	0.061	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	146.5	-175.9	-70.1	167.8	85.6	0	0	110.9	I137 G138 D140 G144 Y148	I137-Q146 WeakPolarHBondContact CA-O 3.45Å; G138-Q146 PolarHBondContact N-O 3.02Å; G138-Q146 PolarHBondContact O-N 2.82Å; D140-Q146 PolarHBondContact OD1-NE2 2.85Å; D140-Q146 PolarHBondContact OD2-NE2 2.93Å; G144-Q146 PolarHBondContact O-NE2 2.87Å; Q146-Y148 HydrophobicContact CB-CD2 4.25Å; Q146-Y148 HydrophobicContact CB-CE2 3.76Å; Q146-Y148 HydrophobicContact CG-CE2 4.26Å; Q146-Y148 VanDerWaalsContact OE1-CE2 3.3Å; Q146-Y148 PolarHBondContact OE1-OH 3.42Å
147	L	98.9	Very high	98.1	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	121.5	172.4	167.3	68	0	0	0	108.3	G36 V43 L45 L135 Y136 I137 G158 W159 T162	G36-L147 VanDerWaalsContact C-CD2 3.45Å; G36-L147 WeakPolarHBondContact O-CD2 3.14Å; V43-L147 HydrophobicContact CG2-CB 4.19Å; L45-L147 HydrophobicContact CD2-CD1 4.47Å; L135-L147 HydrophobicContact CB-CD1 4.43Å; Y136-L147 CarbonylContact O-C 3.4Å; Y136-L147 VanDerWaalsContact O-CA 3.29Å; Y136-L147 WeakPolarHBondContact O-CA 3.42Å; Y136-L147 WeakPolarHBondContact O-CD1 3.46Å; I137-L147 HydrophobicContact CG2-CD1 4.06Å; L147-G158 CarbonylContact O-C 3.47Å; L147-G158 WeakPolarHBondContact O-CA 3.17Å; L147-W159 WeakPolarHBondContact CB-O 3.42Å; L147-W159 HydrophobicContact CD2-CB 4.06Å; L147-W159 HydrophobicContact CG-CB 4.19Å; L147-W159 PolarHBondContact O-N 3.11Å; L147-T162 HydrophobicContact CD2-CG2 4.32Å
148	Y	98.9	Very high	98.1	Very high	25 Å²	25	45 Å²	45	10%	0.098	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	157.1	174.6	-70.4	-88.1	0	0	0	111	C107 E108 V111 L135 Y136 Q146 Y156 G157	C107-Y148 HydrophobicContact CB-CE2 4.18Å; E108-Y148 HydrophobicContact CB-CE1 4.47Å; E108-Y148 HydrophobicContact CB-CE2 4.47Å; E108-Y148 HydrophobicContact CG-CE1 4.18Å; V111-Y148 HydrophobicContact CG2-CD2 4.2Å; V111-Y148 HydrophobicContact CG2-CG 4.12Å; L135-Y148 CarbonylContact C-O 3.59Å; L135-Y148 WeakPolarHBondContact CA-O 3.46Å; Y136-Y148 PolarHBondContact N-O 2.78Å; Y136-Y148 PolarHBondContact O-N 3.28Å; Q146-Y148 HydrophobicContact CB-CD2 4.25Å; Q146-Y148 HydrophobicContact CB-CE2 3.76Å; Q146-Y148 HydrophobicContact CG-CE2 4.26Å; Q146-Y148 VanDerWaalsContact OE1-CE2 3.3Å; Q146-Y148 PolarHBondContact OE1-OH 3.42Å; Y148-Y156 HydrophobicContact CD1-CD2 4.2Å; Y148-G157 CarbonylContact C-O 3.6Å; Y148-G157 WeakPolarHBondContact CA-O 3.42Å
149	Q	98.7	Very high	98.1	Very high	37 Å²	37	50.1 Å²	50.1	17%	0.173	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	142.7	168.4	177.1	-177.7	-26.1	0	0	108.6	L134 L135 Y156 G157 T162 I164	L134-Q149 CarbonylContact O-C 3.55Å; L134-Q149 WeakPolarHBondContact O-CA 3.29Å; L135-Q149 HydrophobicContact CD2-CB 3.66Å; L135-Q149 HydrophobicContact CD2-CG 3.77Å; Q149-Y156 CarbonylContact O-C 3.59Å; Q149-Y156 WeakPolarHBondContact O-CA 3.4Å; Q149-Y156 VanDerWaalsContact O-CB 3.32Å; Q149-Y156 WeakPolarHBondContact O-CB 3.48Å; Q149-G157 PolarHBondContact N-O 2.86Å; Q149-G157 PolarHBondContact O-N 3.42Å; Q149-T162 HydrophobicContact CB-CG2 4.39Å; Q149-T162 PolarHBondContact OE1-OG1 3.02Å; Q149-I164 HydrophobicContact CG-CG2 3.97Å
150	S	98.7	Very high	98.1	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.007	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	155.3	164.4	75.1	0	0	0	0	111.7	C115 K118 S133 L134 Y136 N155	C115-S150 WeakPolarHBondContact SG-CB 3.47Å; K118-S150 PolarHBondContact NZ-OG 2.59Å; S133-S150 WeakPolarHBondContact CA-O 3.49Å; S133-S150 WeakPolarHBondContact CB-O 3.38Å; S133-S150 PolarHBondContact OG-O 2.82Å; L134-S150 PolarHBondContact N-O 2.85Å; L134-S150 PolarHBondContact O-N 3.17Å; Y136-S150 WeakPolarHBondContact CE2-OG 3.43Å; Y136-S150 PolarHBondContact OH-OG 2.69Å; S150-N155 VanDerWaalsContact CA-O 3.29Å; S150-N155 WeakPolarHBondContact CA-O 3.43Å
151	D	98.1	Very high	98.1	Very high	22 Å²	22	52 Å²	52	12%	0.118	26%	0.262	C	S	.	.			trans	-125.8	179.7	-178.9	72.8	42.7	0	0	0	111.9	K118 S153 G154 N155	K118-D151 WeakPolarHBondContact CD-O 3.46Å; K118-D151 PolarHBondContact NZ-O 3.35Å; D151-S153 PolarHBondContact O-N 2.91Å; D151-S153 VanDerWaalsContact OD1-CB 3.31Å; D151-S153 WeakPolarHBondContact OD1-CB 3.37Å; D151-S153 PolarHBondContact OD1-N 2.91Å; D151-S153 PolarHBondContact OD1-OG 3.13Å; D151-G154 PolarHBondContact O-N 2.92Å; D151-N155 PolarHBondContact N-O 3.45Å; D151-N155 VanDerWaalsContact N-O 3.15Å
152	P	97.9	Very high	98.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.2	-179.8	-30.1	39.5	0	0	0	116.3	V21 A24 M25 I28 P129 F130 G154	V21-P152 HydrophobicContact CG1-CB 4.47Å; A24-P152 HydrophobicContact CB-CB 3.81Å; A24-P152 HydrophobicContact CB-CG 3.84Å; M25-P152 HydrophobicContact CG-CG 4.25Å; I28-P152 HydrophobicContact CD1-CG 3.39Å; P129-P152 HydrophobicContact CB-CB 4.16Å; F130-P152 WeakPolarHBondContact O-CB 3Å; F130-P152 VanDerWaalsContact O-CG 3.27Å; F130-P152 WeakPolarHBondContact O-CG 3.4Å; P152-G154 PolarHBondContact O-N 3.23Å
153	S	96.9	Very high	98.3	Very high	21 Å²	21	40.7 Å²	40.7	15%	0.147	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-16.1	179.2	85.7	0	0	0	0	112.2	Q119 D151 N155	Q119-S153 WeakPolarHBondContact CA-O 3.38Å; Q119-S153 WeakPolarHBondContact CB-O 3.27Å; Q119-S153 VanDerWaalsContact CG-O 3.27Å; Q119-S153 WeakPolarHBondContact CG-O 3.1Å; D151-S153 PolarHBondContact O-N 2.91Å; D151-S153 VanDerWaalsContact OD1-CB 3.31Å; D151-S153 WeakPolarHBondContact OD1-CB 3.37Å; D151-S153 PolarHBondContact OD1-N 2.91Å; D151-S153 PolarHBondContact OD1-OG 3.13Å; S153-N155 VanDerWaalsContact C-N 3.31Å; S153-N155 VanDerWaalsContact OG-CB 3.31Å; S153-N155 WeakPolarHBondContact OG-CB 3.1Å; S153-N155 PolarHBondContact OG-N 2.9Å; S153-N155 PolarHBondContact OG-ND2 3.23Å
154	G	97.7	Very high	98.3	Very high	10 Å²	10	33.1 Å²	33.1	10%	0.103	18%	0.183	C	C	.	.	S	Bend	trans	81.5	8.1	-166.5	0	0	0	0	0	113.4	C115 D151 P152	C115-G154 VanDerWaalsContact CB-O 3.26Å; C115-G154 WeakPolarHBondContact CB-O 3.44Å; C115-G154 WeakPolarHBondContact O-CA 3.41Å; D151-G154 PolarHBondContact O-N 2.92Å; P152-G154 PolarHBondContact O-N 3.23Å
155	N	97.9	Very high	98.3	Very high	110 Å²	110	32.4 Å²	32.4	59%	0.588	18%	0.175	S	C	*	.			trans	-65.2	142	163.1	-75	-40.8	0	0	0	109.7	S150 D151 S153	S150-N155 VanDerWaalsContact CA-O 3.29Å; S150-N155 WeakPolarHBondContact CA-O 3.43Å; D151-N155 PolarHBondContact N-O 3.45Å; D151-N155 VanDerWaalsContact N-O 3.15Å; S153-N155 VanDerWaalsContact C-N 3.31Å; S153-N155 VanDerWaalsContact OG-CB 3.31Å; S153-N155 WeakPolarHBondContact OG-CB 3.1Å; S153-N155 PolarHBondContact OG-N 2.9Å; S153-N155 PolarHBondContact OG-ND2 3.23Å
156	Y	98.5	Very high	98.1	Very high	89 Å²	89	32 Å²	32	35%	0.349	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	161.3	170	71.9	-84.5	0	0	0	111.3	E108 V111 T112 C115 Y148 Q149	E108-Y156 HydrophobicContact CG-CE2 3.92Å; E108-Y156 PolarHBondContact OE1-OH 2.91Å; V111-Y156 HydrophobicContact CG1-CD2 3.81Å; V111-Y156 HydrophobicContact CG1-CG 3.81Å; T112-Y156 HydrophobicContact CG2-CE1 4.25Å; T112-Y156 PolarHBondContact OG1-OH 2.85Å; C115-Y156 HydrophobicContact CB-CD1 3.87Å; Y148-Y156 HydrophobicContact CD1-CD2 4.2Å; Q149-Y156 CarbonylContact O-C 3.59Å; Q149-Y156 WeakPolarHBondContact O-CA 3.4Å; Q149-Y156 VanDerWaalsContact O-CB 3.32Å; Q149-Y156 WeakPolarHBondContact O-CB 3.48Å
157	G	98.2	Very high	98	Very high	24 Å²	24	34.3 Å²	34.3	25%	0.247	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	151.2	175.6	0	0	0	0	0	112	Y148 Q149 W159	Y148-G157 CarbonylContact C-O 3.6Å; Y148-G157 WeakPolarHBondContact CA-O 3.42Å; Q149-G157 PolarHBondContact N-O 2.86Å; Q149-G157 PolarHBondContact O-N 3.42Å; G157-W159 PolarHBondContact O-NE1 3.26Å
158	G	98.5	Very high	97.9	Very high	52 Å²	52	36 Å²	36	54%	0.536	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	144.2	172.6	0	0	0	0	0	111.8	L147	L147-G158 CarbonylContact O-C 3.47Å; L147-G158 WeakPolarHBondContact O-CA 3.17Å
159	W	98.6	Very high	97.8	Very high	109 Å²	109	38.7 Å²	38.7	41%	0.413	23%	0.227	S	C	.	.			trans	-138.4	152.6	-174.5	-62.5	87.5	0	0	0	112.2	L147 G157 T162	L147-W159 WeakPolarHBondContact CB-O 3.42Å; L147-W159 HydrophobicContact CD2-CB 4.06Å; L147-W159 HydrophobicContact CG-CB 4.19Å; L147-W159 PolarHBondContact O-N 3.11Å; G157-W159 PolarHBondContact O-NE1 3.26Å; W159-T162 HydrophobicContact CB-CG2 3.9Å; W159-T162 HydrophobicContact CD2-CG2 4.22Å; W159-T162 HydrophobicContact CG-CG2 3.74Å
160	K	98.4	Very high	97.7	Very high	94 Å²	94	39.5 Å²	39.5	41%	0.409	24%	0.24	S	C	.	.	S	Bend	trans	-88.5	-37.2	168.5	-64.3	174.5	-171	168.6	0	111.4	L38 Y179 E181	L38-K160 VanDerWaalsContact CB-O 3.23Å; L38-K160 WeakPolarHBondContact CB-O 3.46Å; L38-K160 PolarHBondContact N-O 3.16Å; K160-Y179 HydrophobicContact CB-CD1 4.48Å; K160-Y179 HydrophobicContact CB-CE1 3.72Å; K160-Y179 HydrophobicContact CD-CE1 4.22Å; K160-Y179 HydrophobicContact CG-CE1 4.46Å; K160-E181 HydrophobicContact CD-CG 4.42Å; K160-E181 WeakPolarHBondContact CE-OE1 3.31Å; K160-E181 IonicContact NZ-OE1 2.66Å; K160-E181 PolarHBondContact NZ-OE1 3.01Å; K160-E181 IonicContact NZ-OE2 3.34Å; K160-E181 PolarHBondContact NZ-OE2 2.98Å
161	A	98.7	Very high	97.7	Very high	17 Å²	17	39.5 Å²	39.5	14%	0.14	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	140.1	167.8	0	0	0	0	0	108.3	G36 I37 L175 Y179	G36-A161 VanDerWaalsContact O-CA 3.28Å; G36-A161 WeakPolarHBondContact O-CA 3.43Å; I37-A161 HydrophobicContact CG1-CB 4.2Å; I37-A161 HydrophobicContact CG2-CB 4.43Å; A161-L175 HydrophobicContact CB-CB 4.22Å; A161-L175 HydrophobicContact CB-CD1 4.21Å; A161-L175 HydrophobicContact CB-CD2 4.15Å; A161-L175 HydrophobicContact CB-CG 4.43Å; A161-Y179 HydrophobicContact CB-CD2 3.96Å; A161-Y179 HydrophobicContact CB-CE2 4.36Å; A161-Y179 HydrophobicContact CB-CG 4.4Å
162	T	98.6	Very high	97.7	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.025	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	167.5	176.6	-169.4	0	0	0	0	110.7	L35 G36 L135 L147 Q149 W159	L35-T162 WeakPolarHBondContact CA-O 2.84Å; G36-T162 PolarHBondContact N-O 3.47Å; G36-T162 PolarHBondContact O-N 3.19Å; L135-T162 HydrophobicContact CD1-CG2 4.36Å; L135-T162 HydrophobicContact CD2-CG2 3.51Å; L147-T162 HydrophobicContact CD2-CG2 4.32Å; Q149-T162 HydrophobicContact CB-CG2 4.39Å; Q149-T162 PolarHBondContact OE1-OG1 3.02Å; W159-T162 HydrophobicContact CB-CG2 3.9Å; W159-T162 HydrophobicContact CD2-CG2 4.22Å; W159-T162 HydrophobicContact CG-CG2 3.74Å
163	C	98.6	Very high	97.7	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.041	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	142.7	177.7	-177.4	0	0	0	0	110.3	T33 C34 L35 S168 A171 V172 L175	T33-C163 WeakPolarHBondContact CG2-SG 3.34Å; C34-C163 CarbonylContact O-C 3.59Å; C34-C163 VanDerWaalsContact O-CA 3.29Å; C34-C163 WeakPolarHBondContact O-CA 3.35Å; C34-C163 PolarHBondContact O-SG 3.45Å; L35-C163 HydrophobicContact CB-CB 4.25Å; C163-S168 WeakPolarHBondContact O-CB 3.48Å; C163-A171 HydrophobicContact CB-CB 3.73Å; C163-A171 VanDerWaalsContact SG-CB 3.59Å; C163-V172 HydrophobicContact CB-CG2 4.08Å; C163-L175 HydrophobicContact CB-CD1 4.29Å
164	I	98.1	Very high	97.8	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	164.6	174.3	61.1	174.1	0	0	0	109.6	C34 A77 S133 L135 Q149	C34-I164 HydrophobicContact CB-CD1 4.26Å; C34-I164 HydrophobicContact CB-CG1 3.77Å; C34-I164 PolarHBondContact N-O 3.28Å; C34-I164 PolarHBondContact O-N 3.03Å; A77-I164 HydrophobicContact CB-CB 4.47Å; A77-I164 HydrophobicContact CB-CD1 3.74Å; A77-I164 HydrophobicContact CB-CG1 3.81Å; S133-I164 WeakPolarHBondContact O-CD1 3.21Å; L135-I164 HydrophobicContact CD1-CG1 4.18Å; L135-I164 HydrophobicContact CD2-CD1 4.23Å; L135-I164 HydrophobicContact CD2-CG1 4.34Å; L135-I164 HydrophobicContact CD2-CG2 4Å; L135-I164 HydrophobicContact CG-CD1 3.75Å; L135-I164 HydrophobicContact CG-CG1 3.89Å; L135-I164 HydrophobicContact CG-CG2 4.48Å; Q149-I164 HydrophobicContact CG-CG2 3.97Å
165	G	96.4	Very high	97.8	Very high	3 Å²	3	43.8 Å²	43.8	3%	0.031	27%	0.265	C	S	.	.	S	Bend	trans	89.5	-159.5	-176.5	0	0	0	0	0	112.7	I28 S168	I28-G165 WeakPolarHBondContact O-CA 3.39Å; G165-S168 VanDerWaalsContact O-CB 3.27Å; G165-S168 WeakPolarHBondContact O-CB 3.33Å; G165-S168 PolarHBondContact O-N 3.47Å; G165-S168 PolarHBondContact O-OG 2.81Å
166	N	95.5	Very high	97.8	Very high	26 Å²	26	46.3 Å²	46.3	14%	0.139	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	142.5	-178.6	-168.8	36.8	0	0	0	112.9	G29 A31 T33 R50 S168 D202	G29-N166 WeakPolarHBondContact O-CA 3.26Å; G29-N166 WeakPolarHBondContact O-CB 3.27Å; G29-N166 PolarHBondContact O-N 3.14Å; G29-N166 PolarHBondContact O-OD1 3.35Å; A31-N166 VanDerWaalsContact O-CB 3.25Å; A31-N166 WeakPolarHBondContact O-CB 3.31Å; A31-N166 PolarHBondContact O-N 2.93Å; T33-N166 PolarHBondContact OG1-O 3.13Å; R50-N166 PolarHBondContact NH2-ND2 3.21Å; N166-S168 PolarHBondContact O-N 3.17Å; N166-D202 PolarHBondContact ND2-OD2 2.78Å
167	N	95.7	Very high	97.7	Very high	62 Å²	62	48.5 Å²	48.5	33%	0.332	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	20.6	179.8	-64.1	-30.2	0	0	0	115.4	A169 A170 A171 T200 D202	N167-A169 VanDerWaalsContact C-N 3.3Å; N167-A169 PolarHBondContact O-N 3.19Å; N167-A170 PolarHBondContact O-N 3.04Å; N167-A170 VanDerWaalsContact O-N 3.15Å; N167-A171 PolarHBondContact O-N 2.65Å; N167-A171 VanDerWaalsContact O-N 3.09Å; N167-T200 WeakPolarHBondContact CB-O 3.4Å; N167-T200 PolarHBondContact ND2-O 2.8Å; N167-D202 PolarHBondContact ND2-OD1 3.01Å; N167-D202 VanDerWaalsContact ND2-OD1 3.11Å
168	S	97	Very high	97.6	Very high	37 Å²	37	49.3 Å²	49.3	26%	0.259	28%	0.283	S	S	.	.	H	α-helix	trans	-58.6	-35.4	-177	48.7	0	0	0	0	113.7	C163 G165 N166 A170 A171 V172	C163-S168 WeakPolarHBondContact O-CB 3.48Å; G165-S168 VanDerWaalsContact O-CB 3.27Å; G165-S168 WeakPolarHBondContact O-CB 3.33Å; G165-S168 PolarHBondContact O-N 3.47Å; G165-S168 PolarHBondContact O-OG 2.81Å; N166-S168 PolarHBondContact O-N 3.17Å; S168-A170 PolarHBondContact O-N 3.15Å; S168-A171 PolarHBondContact O-N 3.07Å; S168-V172 WeakPolarHBondContact O-CB 3.29Å; S168-V172 VanDerWaalsContact O-CG2 3.31Å; S168-V172 WeakPolarHBondContact O-CG2 3.38Å; S168-V172 PolarHBondContact O-N 3.34Å
169	A	96.6	Very high	97.6	Very high	82 Å²	82	48.4 Å²	48.4	68%	0.678	26%	0.264	S	S	*	.	H	α-helix	trans	-60.9	-44	176.9	0	0	0	0	0	112.6	N167 S173	N167-A169 VanDerWaalsContact C-N 3.3Å; N167-A169 PolarHBondContact O-N 3.19Å; A169-S173 PolarHBondContact O-N 2.66Å; A169-S173 VanDerWaalsContact O-N 3.07Å
170	A	97.2	Very high	97.4	Very high	55 Å²	55	48.3 Å²	48.3	46%	0.455	27%	0.266	S	S	.	.	H	α-helix	trans	-67.5	-41.3	176.1	0	0	0	0	0	111.2	N167 S168 S173 M174 T200	N167-A170 PolarHBondContact O-N 3.04Å; N167-A170 VanDerWaalsContact O-N 3.15Å; S168-A170 PolarHBondContact O-N 3.15Å; A170-S173 WeakPolarHBondContact O-CB 3.44Å; A170-S173 PolarHBondContact O-N 3.03Å; A170-M174 PolarHBondContact O-N 3.17Å; A170-M174 VanDerWaalsContact O-N 3.08Å; A170-T200 HydrophobicContact CB-CG2 4.3Å
171	A	98.1	Very high	97.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.4	-47.6	176	0	0	0	0	0	112.1	C163 N167 S168 S173 M174 L175 V196 T200	C163-A171 HydrophobicContact CB-CB 3.73Å; C163-A171 VanDerWaalsContact SG-CB 3.59Å; N167-A171 PolarHBondContact O-N 2.65Å; N167-A171 VanDerWaalsContact O-N 3.09Å; S168-A171 PolarHBondContact O-N 3.07Å; A171-S173 VanDerWaalsContact C-N 3.3Å; A171-S173 PolarHBondContact O-N 3.37Å; A171-M174 PolarHBondContact O-N 3.07Å; A171-M174 VanDerWaalsContact O-N 3.17Å; A171-L175 WeakPolarHBondContact O-CG 3.24Å; A171-L175 PolarHBondContact O-N 3.15Å; A171-V196 HydrophobicContact CB-CG1 3.64Å; A171-T200 HydrophobicContact CB-CG2 3.99Å
172	V	98.5	Very high	96.7	Very high	30 Å²	30	51.4 Å²	51.4	18%	0.182	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-37.4	176.7	169.9	0	0	0	0	111.3	C163 S168 M174 L175 K176	C163-V172 HydrophobicContact CB-CG2 4.08Å; S168-V172 WeakPolarHBondContact O-CB 3.29Å; S168-V172 VanDerWaalsContact O-CG2 3.31Å; S168-V172 WeakPolarHBondContact O-CG2 3.38Å; S168-V172 PolarHBondContact O-N 3.34Å; V172-M174 VanDerWaalsContact C-N 3.34Å; V172-M174 PolarHBondContact O-N 2.81Å; V172-L175 PolarHBondContact O-N 3.03Å; V172-K176 HydrophobicContact CG1-CD 4.2Å; V172-K176 HydrophobicContact CG1-CG 4.44Å; V172-K176 WeakPolarHBondContact O-CB 3.05Å; V172-K176 VanDerWaalsContact O-CG 3.3Å; V172-K176 WeakPolarHBondContact O-CG 3.48Å; V172-K176 PolarHBondContact O-N 2.94Å
173	S	98.3	Very high	96.5	Very high	76 Å²	76	58.3 Å²	58.3	53%	0.531	33%	0.325	S	S	.	.	H	α-helix	trans	-61.2	-42.9	174.7	-169	0	0	0	0	112.1	A169 A170 A171 K176 Q177	A169-S173 PolarHBondContact O-N 2.66Å; A169-S173 VanDerWaalsContact O-N 3.07Å; A170-S173 WeakPolarHBondContact O-CB 3.44Å; A170-S173 PolarHBondContact O-N 3.03Å; A171-S173 VanDerWaalsContact C-N 3.3Å; A171-S173 PolarHBondContact O-N 3.37Å; S173-K176 PolarHBondContact O-N 3Å; S173-Q177 PolarHBondContact O-N 2.89Å
174	M	97.7	Very high	96.4	Very high	34 Å²	34	58.5 Å²	58.5	17%	0.167	33%	0.325	C	S	.	.	H	α-helix	trans	-69.2	-41.9	177.6	-170.3	172	-54.4	0	0	112.3	A170 A171 V172 K176 Q177 D178 K195 V196 K199	A170-M174 PolarHBondContact O-N 3.17Å; A170-M174 VanDerWaalsContact O-N 3.08Å; A171-M174 PolarHBondContact O-N 3.07Å; A171-M174 VanDerWaalsContact O-N 3.17Å; V172-M174 VanDerWaalsContact C-N 3.34Å; V172-M174 PolarHBondContact O-N 2.81Å; M174-K176 VanDerWaalsContact C-N 3.31Å; M174-K176 PolarHBondContact O-N 2.77Å; M174-Q177 PolarHBondContact O-N 2.82Å; M174-Q177 VanDerWaalsContact O-N 3.14Å; M174-D178 PolarHBondContact O-N 2.87Å; M174-K195 HydrophobicContact SD-CG 4.19Å; M174-V196 HydrophobicContact CB-CG2 4.14Å; M174-V196 HydrophobicContact CG-CG2 3.87Å; M174-V196 HydrophobicContact SD-CB 4.33Å; M174-V196 HydrophobicContact SD-CG2 3.82Å; M174-K199 HydrophobicContact CE-CB 3.63Å; M174-K199 HydrophobicContact CE-CD 3.51Å; M174-K199 HydrophobicContact CE-CG 4.15Å; M174-K199 HydrophobicContact SD-CB 4.3Å; M174-K199 HydrophobicContact SD-CD 3.92Å
175	L	98.5	Very high	96.4	Very high	4 Å²	4	61.1 Å²	61.1	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-57.5	-45	173.6	-71.3	170.7	0	0	0	110.8	I37 A161 C163 A171 V172 Q177 D178 Y179 L192 V196	I37-L175 HydrophobicContact CD1-CD2 3.76Å; I37-L175 HydrophobicContact CG1-CD2 3.93Å; A161-L175 HydrophobicContact CB-CB 4.22Å; A161-L175 HydrophobicContact CB-CD1 4.21Å; A161-L175 HydrophobicContact CB-CD2 4.15Å; A161-L175 HydrophobicContact CB-CG 4.43Å; C163-L175 HydrophobicContact CB-CD1 4.29Å; A171-L175 WeakPolarHBondContact O-CG 3.24Å; A171-L175 PolarHBondContact O-N 3.15Å; V172-L175 PolarHBondContact O-N 3.03Å; L175-Q177 VanDerWaalsContact C-N 3.28Å; L175-Q177 PolarHBondContact O-N 2.88Å; L175-D178 PolarHBondContact O-N 2.95Å; L175-Y179 WeakPolarHBondContact O-CA 3.25Å; L175-Y179 WeakPolarHBondContact O-CB 3.22Å; L175-Y179 PolarHBondContact O-N 3.29Å; L175-L192 HydrophobicContact CD2-CD2 4.07Å; L175-L192 HydrophobicContact CD2-CG 4.12Å; L175-V196 HydrophobicContact CD2-CG2 3.9Å; L175-V196 HydrophobicContact CG-CG2 4.15Å
176	K	97.1	Very high	96.5	Very high	162 Å²	162	61.9 Å²	61.9	70%	0.704	35%	0.345	S	S	*	.	H	α-helix	trans	-60.7	-35.1	176.7	-76.5	174.9	179	179.3	0	113.3	V172 S173 M174	V172-K176 HydrophobicContact CG1-CD 4.2Å; V172-K176 HydrophobicContact CG1-CG 4.44Å; V172-K176 WeakPolarHBondContact O-CB 3.05Å; V172-K176 VanDerWaalsContact O-CG 3.3Å; V172-K176 WeakPolarHBondContact O-CG 3.48Å; V172-K176 PolarHBondContact O-N 2.94Å; S173-K176 PolarHBondContact O-N 3Å; M174-K176 VanDerWaalsContact C-N 3.31Å; M174-K176 PolarHBondContact O-N 2.77Å
177	Q	96.8	Very high	96.6	Very high	136 Å²	136	68.1 Å²	68.1	64%	0.636	37%	0.371	S	S	*	.	H	α-helix	trans	-72.8	-45.3	-179.2	-177.9	176.3	-7.9	0	0	112.1	S173 M174 L175 K180	S173-Q177 PolarHBondContact O-N 2.89Å; M174-Q177 PolarHBondContact O-N 2.82Å; M174-Q177 VanDerWaalsContact O-N 3.14Å; L175-Q177 VanDerWaalsContact C-N 3.28Å; L175-Q177 PolarHBondContact O-N 2.88Å; Q177-K180 PolarHBondContact O-NZ 3.01Å
178	D	96.4	Very high	96.7	Very high	40 Å²	40	67.3 Å²	67.3	21%	0.214	37%	0.37	C	S	.	.	H	α-helix	trans	-99.5	-19.1	-167.5	-66.5	-24.5	0	0	0	113.8	M174 L175 K180 L192 K195	M174-D178 PolarHBondContact O-N 2.87Å; L175-D178 PolarHBondContact O-N 2.95Å; D178-K180 PolarHBondContact O-N 3.43Å; D178-L192 HydrophobicContact CB-CD1 3.47Å; D178-L192 VanDerWaalsContact CB-CD1 3.47Å; D178-L192 HydrophobicContact CB-CD2 4.2Å; D178-L192 HydrophobicContact CB-CG 4.5Å; D178-K195 IonicContact OD1-NZ 3.27Å; D178-K195 PolarHBondContact OD1-NZ 2.91Å; D178-K195 VanDerWaalsContact OD2-CE 3.25Å; D178-K195 WeakPolarHBondContact OD2-CE 3.43Å; D178-K195 IonicContact OD2-NZ 2.88Å; D178-K195 PolarHBondContact OD2-NZ 2.95Å
179	Y	97.8	Very high	96.8	Very high	33 Å²	33	65.6 Å²	65.6	13%	0.129	36%	0.358	C	S	.	.			trans	-70.7	126.7	175.9	-173.9	-89.8	0	0	0	110.9	I37 L38 K160 A161 L175 E181 M184	I37-Y179 HydrophobicContact CG2-CD2 3.97Å; I37-Y179 HydrophobicContact CG2-CE2 3.8Å; L38-Y179 VanDerWaalsContact O-CE2 3.22Å; L38-Y179 WeakPolarHBondContact O-CE2 2.97Å; L38-Y179 PolarHBondContact O-OH 2.91Å; K160-Y179 HydrophobicContact CB-CD1 4.48Å; K160-Y179 HydrophobicContact CB-CE1 3.72Å; K160-Y179 HydrophobicContact CD-CE1 4.22Å; K160-Y179 HydrophobicContact CG-CE1 4.46Å; A161-Y179 HydrophobicContact CB-CD2 3.96Å; A161-Y179 HydrophobicContact CB-CE2 4.36Å; A161-Y179 HydrophobicContact CB-CG 4.4Å; L175-Y179 WeakPolarHBondContact O-CA 3.25Å; L175-Y179 WeakPolarHBondContact O-CB 3.22Å; L175-Y179 PolarHBondContact O-N 3.29Å; Y179-E181 HydrophobicContact CE1-CB 4.04Å; Y179-M184 HydrophobicContact CD2-CE 3.72Å; Y179-M184 HydrophobicContact CD2-CG 4.36Å; Y179-M184 HydrophobicContact CE2-CB 4.08Å; Y179-M184 HydrophobicContact CE2-CE 4.18Å; Y179-M184 HydrophobicContact CE2-CG 3.9Å; Y179-M184 HydrophobicContact CG-CE 4.24Å
180	K	95.5	Very high	96.9	Very high	108 Å²	108	62.7 Å²	62.7	47%	0.47	33%	0.331	S	S	.	.			trans	-118.7	110.4	174.7	-56.4	-58.9	170.8	-151.3	0	109.1	Q177 D178 E183 M184	Q177-K180 PolarHBondContact O-NZ 3.01Å; D178-K180 PolarHBondContact O-N 3.43Å; K180-E183 HydrophobicContact CB-CB 4.04Å; K180-E183 PolarHBondContact O-N 2.73Å; K180-M184 PolarHBondContact O-N 2.88Å; K180-M184 VanDerWaalsContact O-N 3.17Å
181	E	91.3	Very high	96.9	Very high	124 Å²	124	61.5 Å²	61.5	58%	0.579	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	141.3	178	-179.6	169.1	-158.7	0	0	111	K160 Y179 E183	K160-E181 HydrophobicContact CD-CG 4.42Å; K160-E181 WeakPolarHBondContact CE-OE1 3.31Å; K160-E181 IonicContact NZ-OE1 2.66Å; K160-E181 PolarHBondContact NZ-OE1 3.01Å; K160-E181 IonicContact NZ-OE2 3.34Å; K160-E181 PolarHBondContact NZ-OE2 2.98Å; Y179-E181 HydrophobicContact CE1-CB 4.04Å; E181-E183 PolarHBondContact O-N 2.76Å
182	G	90.8	Very high	96.9	Very high	51 Å²	51	62.1 Å²	62.1	53%	0.526	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	-17	-178.7	0	0	0	0	0	114.7	N40	N40-G182 VanDerWaalsContact ND2-C 3.33Å; N40-G182 PolarHBondContact ND2-O 3.33Å
183	E	94.3	Very high	96.9	Very high	150 Å²	150	60.7 Å²	60.7	70%	0.701	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-12.5	177.5	-64.4	177.9	-143.6	0	0	112.9	K180 E181 T185	K180-E183 HydrophobicContact CB-CB 4.04Å; K180-E183 PolarHBondContact O-N 2.73Å; E181-E183 PolarHBondContact O-N 2.76Å; E183-T185 PolarHBondContact O-N 3.37Å
184	M	96.9	Very high	96.9	Very high	10 Å²	10	57.1 Å²	57.1	5%	0.049	29%	0.291	C	S	.	.			trans	-72.3	112.8	-176.3	-166.3	60	60.9	0	0	111.5	I37 A39 N40 Y179 K180 S188 A189 L192	I37-M184 HydrophobicContact CG2-CG 4.34Å; A39-M184 WeakPolarHBondContact CA-O 3.1Å; A39-M184 HydrophobicContact CB-CG 4.07Å; A39-M184 WeakPolarHBondContact CB-O 3.32Å; N40-M184 PolarHBondContact N-O 3.16Å; N40-M184 PolarHBondContact ND2-O 3.27Å; Y179-M184 HydrophobicContact CD2-CE 3.72Å; Y179-M184 HydrophobicContact CD2-CG 4.36Å; Y179-M184 HydrophobicContact CE2-CB 4.08Å; Y179-M184 HydrophobicContact CE2-CE 4.18Å; Y179-M184 HydrophobicContact CE2-CG 3.9Å; Y179-M184 HydrophobicContact CG-CE 4.24Å; K180-M184 PolarHBondContact O-N 2.88Å; K180-M184 VanDerWaalsContact O-N 3.17Å; M184-S188 PolarHBondContact SD-OG 2.62Å; M184-A189 HydrophobicContact CG-CB 3.93Å; M184-A189 HydrophobicContact SD-CB 3.88Å; M184-A189 PolarHBondContact SD-N 3.27Å; M184-A189 VanDerWaalsContact SD-N 3.39Å; M184-L192 HydrophobicContact CE-CD2 4.09Å
185	T	98.2	Very high	96.9	Very high	60 Å²	60	58.3 Å²	58.3	37%	0.368	30%	0.295	S	S	.	.			trans	-91.6	160.4	165.2	66.2	0	0	0	0	110.5	A39 D41 E183 K187 S188 A189	A39-T185 VanDerWaalsContact CB-C 3.43Å; D41-T185 VanDerWaalsContact OD1-CA 3.26Å; D41-T185 WeakPolarHBondContact OD1-CA 3.41Å; E183-T185 PolarHBondContact O-N 3.37Å; T185-K187 PolarHBondContact O-N 3.16Å; T185-S188 PolarHBondContact N-OG 3.37Å; T185-S188 PolarHBondContact O-N 3.32Å; T185-S188 VanDerWaalsContact O-N 3.13Å; T185-S188 PolarHBondContact O-OG 3.32Å; T185-S188 PolarHBondContact OG1-N 3.03Å; T185-S188 VanDerWaalsContact OG1-N 3.16Å; T185-S188 PolarHBondContact OG1-OG 3Å; T185-A189 WeakPolarHBondContact O-CB 3.24Å; T185-A189 PolarHBondContact O-N 2.92Å
186	L	98.3	Very high	96.9	Very high	20 Å²	20	58.1 Å²	58.1	11%	0.105	29%	0.294	C	S	.	.	H	α-helix	trans	-60.4	-35.8	177.6	-177.3	63.4	0	0	0	110.5	A39 D41 L44 A189 L190 T215 T217	A39-L186 HydrophobicContact CB-CB 4.38Å; D41-L186 PolarHBondContact OD1-N 3.39Å; L44-L186 HydrophobicContact CB-CD1 4.2Å; L44-L186 HydrophobicContact CD2-CD1 4.24Å; L186-A189 PolarHBondContact O-N 3.15Å; L186-L190 HydrophobicContact CG-CD1 4.34Å; L186-L190 WeakPolarHBondContact O-CB 3.49Å; L186-L190 VanDerWaalsContact O-CG 3.29Å; L186-L190 WeakPolarHBondContact O-CG 3.5Å; L186-L190 PolarHBondContact O-N 3.23Å; L186-T215 HydrophobicContact CD1-CG2 4.05Å; L186-T215 HydrophobicContact CD2-CG2 4.21Å; L186-T215 HydrophobicContact CG-CG2 4.44Å; L186-T217 HydrophobicContact CD2-CG2 3.42Å; L186-T217 VanDerWaalsContact CD2-CG2 3.42Å
187	K	97.8	Very high	96.9	Very high	156 Å²	156	50.4 Å²	50.4	68%	0.678	26%	0.261	S	S	*	.	H	α-helix	trans	-62.6	-46.6	175	-175.7	-179.6	178.2	-178.6	0	112.2	T185 A191	T185-K187 PolarHBondContact O-N 3.16Å; K187-A191 PolarHBondContact O-N 3.31Å
188	S	97.8	Very high	96.8	Very high	46 Å²	46	45.9 Å²	45.9	32%	0.322	24%	0.24	S	C	.	.	H	α-helix	trans	-71.4	-32.9	177	54	0	0	0	0	112	M184 T185 A191 L192	M184-S188 PolarHBondContact SD-OG 2.62Å; T185-S188 PolarHBondContact N-OG 3.37Å; T185-S188 PolarHBondContact O-N 3.32Å; T185-S188 VanDerWaalsContact O-N 3.13Å; T185-S188 PolarHBondContact O-OG 3.32Å; T185-S188 PolarHBondContact OG1-N 3.03Å; T185-S188 VanDerWaalsContact OG1-N 3.16Å; T185-S188 PolarHBondContact OG1-OG 3Å; S188-A191 PolarHBondContact O-N 2.87Å; S188-L192 WeakPolarHBondContact O-CB 3.37Å; S188-L192 PolarHBondContact O-N 3.13Å
189	A	98.7	Very high	96.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-42.8	174.3	0	0	0	0	0	111.5	I37 A39 L44 M184 T185 L186 L192 A193	I37-A189 HydrophobicContact CB-CB 4.18Å; I37-A189 WeakPolarHBondContact CD1-O 3.32Å; I37-A189 HydrophobicContact CG2-CB 3.65Å; A39-A189 HydrophobicContact CB-CB 4.22Å; L44-A189 HydrophobicContact CD2-CB 3.63Å; M184-A189 HydrophobicContact CG-CB 3.93Å; M184-A189 HydrophobicContact SD-CB 3.88Å; M184-A189 PolarHBondContact SD-N 3.27Å; M184-A189 VanDerWaalsContact SD-N 3.39Å; T185-A189 WeakPolarHBondContact O-CB 3.24Å; T185-A189 PolarHBondContact O-N 2.92Å; L186-A189 PolarHBondContact O-N 3.15Å; A189-L192 PolarHBondContact O-N 3.23Å; A189-A193 WeakPolarHBondContact O-CB 3.36Å; A189-A193 PolarHBondContact O-N 3.03Å
190	L	98.7	Very high	96.4	Very high	21 Å²	21	48 Å²	48	11%	0.11	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-42.6	174.6	-76.9	165.4	0	0	0	111.8	L44 L186 A193 I194 I213 T215 L228 L236	L44-L190 HydrophobicContact CD2-CB 4.45Å; L44-L190 HydrophobicContact CD2-CD2 3.89Å; L44-L190 HydrophobicContact CD2-CG 3.89Å; L186-L190 HydrophobicContact CG-CD1 4.34Å; L186-L190 WeakPolarHBondContact O-CB 3.49Å; L186-L190 VanDerWaalsContact O-CG 3.29Å; L186-L190 WeakPolarHBondContact O-CG 3.5Å; L186-L190 PolarHBondContact O-N 3.23Å; L190-A193 WeakPolarHBondContact O-CB 3.09Å; L190-A193 PolarHBondContact O-N 3.05Å; L190-I194 WeakPolarHBondContact O-CG1 3.33Å; L190-I194 PolarHBondContact O-N 3.45Å; L190-I194 VanDerWaalsContact O-N 3.11Å; L190-I213 HydrophobicContact CD2-CG2 3.65Å; L190-T215 HydrophobicContact CD1-CG2 4.42Å; L190-T215 HydrophobicContact CD2-CG2 4.1Å; L190-L228 HydrophobicContact CD2-CD2 4.18Å; L190-L236 HydrophobicContact CB-CD1 4.25Å; L190-L236 HydrophobicContact CB-CD2 4.22Å; L190-L236 HydrophobicContact CD2-CD1 4.07Å
191	A	98.2	Very high	96.2	Very high	31 Å²	31	43.4 Å²	43.4	26%	0.256	23%	0.229	S	C	.	.	H	α-helix	trans	-62.7	-43.6	175.1	0	0	0	0	0	111.6	K187 S188 A193 I194 K195	K187-A191 PolarHBondContact O-N 3.31Å; S188-A191 PolarHBondContact O-N 2.87Å; A191-A193 PolarHBondContact O-N 3.34Å; A191-I194 PolarHBondContact O-N 2.88Å; A191-K195 WeakPolarHBondContact O-CB 3.46Å; A191-K195 PolarHBondContact O-N 3.26Å
192	L	98.3	Very high	95.9	Very high	12 Å²	12	43.1 Å²	43.1	6%	0.063	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-40.8	175.6	179.2	55.4	0	0	0	112	I37 L175 D178 M184 S188 A189 I194 K195 V196	I37-L192 HydrophobicContact CD1-CB 4.2Å; I37-L192 HydrophobicContact CD1-CD2 4.21Å; I37-L192 HydrophobicContact CD1-CG 4.04Å; L175-L192 HydrophobicContact CD2-CD2 4.07Å; L175-L192 HydrophobicContact CD2-CG 4.12Å; D178-L192 HydrophobicContact CB-CD1 3.47Å; D178-L192 VanDerWaalsContact CB-CD1 3.47Å; D178-L192 HydrophobicContact CB-CD2 4.2Å; D178-L192 HydrophobicContact CB-CG 4.5Å; M184-L192 HydrophobicContact CE-CD2 4.09Å; S188-L192 WeakPolarHBondContact O-CB 3.37Å; S188-L192 PolarHBondContact O-N 3.13Å; A189-L192 PolarHBondContact O-N 3.23Å; L192-I194 PolarHBondContact O-N 3.25Å; L192-K195 HydrophobicContact CD1-CD 4.46Å; L192-K195 PolarHBondContact O-N 3.45Å; L192-V196 HydrophobicContact CD1-CG2 3.93Å; L192-V196 HydrophobicContact CG-CG2 4.38Å; L192-V196 VanDerWaalsContact O-CG2 3.29Å; L192-V196 WeakPolarHBondContact O-CG2 3.49Å; L192-V196 PolarHBondContact O-N 3.12Å
193	A	98.6	Very high	95.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.8	-47.9	176	0	0	0	0	0	111.6	L35 I37 L44 A46 A189 L190 A191 V196 L197	L35-A193 HydrophobicContact CD1-CB 3.86Å; L35-A193 HydrophobicContact CD2-CB 4.03Å; I37-A193 HydrophobicContact CD1-CB 4.07Å; L44-A193 HydrophobicContact CD1-CB 3.96Å; L44-A193 HydrophobicContact CD2-CB 4.5Å; A46-A193 HydrophobicContact CB-CB 4.45Å; A189-A193 WeakPolarHBondContact O-CB 3.36Å; A189-A193 PolarHBondContact O-N 3.03Å; L190-A193 WeakPolarHBondContact O-CB 3.09Å; L190-A193 PolarHBondContact O-N 3.05Å; A191-A193 PolarHBondContact O-N 3.34Å; A193-V196 PolarHBondContact O-N 2.96Å; A193-L197 WeakPolarHBondContact O-CB 3.16Å; A193-L197 VanDerWaalsContact O-CG 3.31Å; A193-L197 WeakPolarHBondContact O-CG 3.29Å; A193-L197 PolarHBondContact O-N 3Å
194	I	98.2	Very high	95.1	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-45.7	176.2	-66.4	-55.6	0	0	0	111.4	L190 A191 L192 V196 L197 N198 L206 I213 L236 I237 H240	L190-I194 WeakPolarHBondContact O-CG1 3.33Å; L190-I194 PolarHBondContact O-N 3.45Å; L190-I194 VanDerWaalsContact O-N 3.11Å; A191-I194 PolarHBondContact O-N 2.88Å; L192-I194 PolarHBondContact O-N 3.25Å; I194-V196 VanDerWaalsContact C-N 3.31Å; I194-V196 PolarHBondContact O-N 2.89Å; I194-L197 PolarHBondContact O-N 2.97Å; I194-N198 VanDerWaalsContact O-CB 3.23Å; I194-N198 WeakPolarHBondContact O-CB 3.48Å; I194-N198 PolarHBondContact O-N 2.89Å; I194-L206 HydrophobicContact CD1-CD2 4.31Å; I194-L206 HydrophobicContact CG2-CD2 4.08Å; I194-I213 HydrophobicContact CD1-CD1 3.79Å; I194-L236 HydrophobicContact CD1-CB 4.35Å; I194-L236 HydrophobicContact CG1-CB 3.83Å; I194-I237 HydrophobicContact CD1-CG1 4.16Å; I194-I237 HydrophobicContact CG2-CG1 4.33Å; I194-H240 HydrophobicContact CG2-CB 3.59Å
195	K	96.9	Very high	94.7	Very high	60 Å²	60	46.9 Å²	46.9	26%	0.261	25%	0.252	S	S	.	.	H	α-helix	trans	-56.5	-45.7	177.7	178.4	-177.1	-179	-173.3	0	111.9	M174 D178 A191 L192 K199	M174-K195 HydrophobicContact SD-CG 4.19Å; D178-K195 IonicContact OD1-NZ 3.27Å; D178-K195 PolarHBondContact OD1-NZ 2.91Å; D178-K195 VanDerWaalsContact OD2-CE 3.25Å; D178-K195 WeakPolarHBondContact OD2-CE 3.43Å; D178-K195 IonicContact OD2-NZ 2.88Å; D178-K195 PolarHBondContact OD2-NZ 2.95Å; A191-K195 WeakPolarHBondContact O-CB 3.46Å; A191-K195 PolarHBondContact O-N 3.26Å; L192-K195 HydrophobicContact CD1-CD 4.46Å; L192-K195 PolarHBondContact O-N 3.45Å; K195-K199 WeakPolarHBondContact O-CG 3.32Å; K195-K199 PolarHBondContact O-N 3.2Å
196	V	97.8	Very high	94.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.3	-53.7	178.6	172.8	0	0	0	0	110	A171 M174 L175 L192 A193 I194 N198 K199 T200	A171-V196 HydrophobicContact CB-CG1 3.64Å; M174-V196 HydrophobicContact CB-CG2 4.14Å; M174-V196 HydrophobicContact CG-CG2 3.87Å; M174-V196 HydrophobicContact SD-CB 4.33Å; M174-V196 HydrophobicContact SD-CG2 3.82Å; L175-V196 HydrophobicContact CD2-CG2 3.9Å; L175-V196 HydrophobicContact CG-CG2 4.15Å; L192-V196 HydrophobicContact CD1-CG2 3.93Å; L192-V196 HydrophobicContact CG-CG2 4.38Å; L192-V196 VanDerWaalsContact O-CG2 3.29Å; L192-V196 WeakPolarHBondContact O-CG2 3.49Å; L192-V196 PolarHBondContact O-N 3.12Å; A193-V196 PolarHBondContact O-N 2.96Å; I194-V196 VanDerWaalsContact C-N 3.31Å; I194-V196 PolarHBondContact O-N 2.89Å; V196-N198 VanDerWaalsContact C-N 3.32Å; V196-N198 PolarHBondContact O-N 2.66Å; V196-K199 PolarHBondContact O-N 3.1Å; V196-T200 HydrophobicContact CG1-CG2 4.27Å; V196-T200 WeakPolarHBondContact O-CG2 3.37Å; V196-T200 PolarHBondContact O-N 2.86Å; V196-T200 PolarHBondContact O-OG1 3.41Å
197	L	97	Very high	94.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.9	-42.8	-179.8	-71.2	175.2	0	0	0	112.6	T33 L35 A46 A193 I194 K199 T200 M201 L206 V211	T33-L197 HydrophobicContact CG2-CD2 4.12Å; L35-L197 HydrophobicContact CD2-CD1 3.95Å; L35-L197 HydrophobicContact CD2-CD2 3.78Å; L35-L197 HydrophobicContact CD2-CG 3.54Å; A46-L197 HydrophobicContact CB-CD1 3.83Å; A193-L197 WeakPolarHBondContact O-CB 3.16Å; A193-L197 VanDerWaalsContact O-CG 3.31Å; A193-L197 WeakPolarHBondContact O-CG 3.29Å; A193-L197 PolarHBondContact O-N 3Å; I194-L197 PolarHBondContact O-N 2.97Å; L197-K199 PolarHBondContact O-N 3.27Å; L197-T200 PolarHBondContact O-N 3.32Å; L197-M201 HydrophobicContact CB-CG 4.44Å; L197-M201 HydrophobicContact CB-SD 3.97Å; L197-M201 HydrophobicContact CD2-CG 4.2Å; L197-M201 HydrophobicContact CD2-SD 3.93Å; L197-M201 HydrophobicContact CG-SD 4.42Å; L197-M201 VanDerWaalsContact O-CB 3.27Å; L197-M201 WeakPolarHBondContact O-CB 3.39Å; L197-M201 VanDerWaalsContact O-CG 3.31Å; L197-M201 WeakPolarHBondContact O-CG 3.32Å; L197-M201 PolarHBondContact O-N 3.27Å; L197-L206 HydrophobicContact CB-CD1 4.41Å; L197-L206 HydrophobicContact CB-CD2 4.2Å; L197-V211 HydrophobicContact CD1-CG1 3.59Å; L197-V211 HydrophobicContact CD1-CG2 4.3Å
198	N	95.2	Very high	93.9	Very high	40 Å²	40	37.5 Å²	37.5	21%	0.214	21%	0.21	C	C	.	.	H	α-helix	trans	-61.7	-27.3	179.1	-168.3	55.2	0	0	0	112.7	I194 V196 L206 H240 E244	I194-N198 VanDerWaalsContact O-CB 3.23Å; I194-N198 WeakPolarHBondContact O-CB 3.48Å; I194-N198 PolarHBondContact O-N 2.89Å; V196-N198 VanDerWaalsContact C-N 3.32Å; V196-N198 PolarHBondContact O-N 2.66Å; N198-L206 HydrophobicContact CB-CB 4.48Å; N198-L206 HydrophobicContact CB-CD2 4.12Å; N198-L206 WeakPolarHBondContact OD1-CB 3.14Å; N198-H240 PolarHBondContact ND2-NE2 3.12Å; N198-E244 PolarHBondContact ND2-OE2 2.79Å
199	K	93.5	Very high	93.5	Very high	110 Å²	110	39.8 Å²	39.8	48%	0.478	22%	0.216	S	C	.	.	H	α-helix	trans	-98.3	-18.7	-178.4	-69.5	-174.8	178.5	-172.9	0	114.2	M174 K195 V196 L197 E244	M174-K199 HydrophobicContact CE-CB 3.63Å; M174-K199 HydrophobicContact CE-CD 3.51Å; M174-K199 HydrophobicContact CE-CG 4.15Å; M174-K199 HydrophobicContact SD-CB 4.3Å; M174-K199 HydrophobicContact SD-CD 3.92Å; K195-K199 WeakPolarHBondContact O-CG 3.32Å; K195-K199 PolarHBondContact O-N 3.2Å; V196-K199 PolarHBondContact O-N 3.1Å; L197-K199 PolarHBondContact O-N 3.27Å; K199-E244 WeakPolarHBondContact CE-OE1 3.21Å; K199-E244 IonicContact NZ-OE1 3.77Å; K199-E244 PolarHBondContact NZ-OE1 3.48Å
200	T	92.6	Very high	93.1	Very high	8 Å²	8	42 Å²	42	5%	0.049	23%	0.225	C	C	.	.	H	α-helix	trans	-113.6	-16.3	-174.3	64.3	0	0	0	0	114.1	N167 A170 A171 V196 L197	N167-T200 WeakPolarHBondContact CB-O 3.4Å; N167-T200 PolarHBondContact ND2-O 2.8Å; A170-T200 HydrophobicContact CB-CG2 4.3Å; A171-T200 HydrophobicContact CB-CG2 3.99Å; V196-T200 HydrophobicContact CG1-CG2 4.27Å; V196-T200 WeakPolarHBondContact O-CG2 3.37Å; V196-T200 PolarHBondContact O-N 2.86Å; V196-T200 PolarHBondContact O-OG1 3.41Å; L197-T200 PolarHBondContact O-N 3.32Å
201	M	91	Very high	92.9	Very high	11 Å²	11	41.2 Å²	41.2	5%	0.054	22%	0.221	C	C	.	.	S	Bend	trans	-77.9	141.9	173	-71	178.7	50.6	0	0	110.8	E48 L197 V203 L206 K210 V211	E48-M201 HydrophobicContact CB-CE 4.28Å; E48-M201 HydrophobicContact CB-SD 4.29Å; E48-M201 HydrophobicContact CG-CE 3.66Å; E48-M201 HydrophobicContact CG-SD 4.26Å; L197-M201 HydrophobicContact CB-CG 4.44Å; L197-M201 HydrophobicContact CB-SD 3.97Å; L197-M201 HydrophobicContact CD2-CG 4.2Å; L197-M201 HydrophobicContact CD2-SD 3.93Å; L197-M201 HydrophobicContact CG-SD 4.42Å; L197-M201 VanDerWaalsContact O-CB 3.27Å; L197-M201 WeakPolarHBondContact O-CB 3.39Å; L197-M201 VanDerWaalsContact O-CG 3.31Å; L197-M201 WeakPolarHBondContact O-CG 3.32Å; L197-M201 PolarHBondContact O-N 3.27Å; M201-V203 HydrophobicContact CB-CG2 3.89Å; M201-V203 HydrophobicContact CE-CG1 4.4Å; M201-V203 HydrophobicContact CE-CG2 4.13Å; M201-V203 PolarHBondContact O-N 2.92Å; M201-L206 HydrophobicContact CE-CD1 3.87Å; M201-L206 HydrophobicContact SD-CD1 3.53Å; M201-L206 VanDerWaalsContact SD-CD1 3.53Å; M201-K210 HydrophobicContact CE-CB 4.23Å; M201-V211 HydrophobicContact SD-CG2 4.37Å
202	D	85.6	Confident	92.7	Very high	118 Å²	118	39.9 Å²	39.9	63%	0.631	21%	0.21	S	C	*	.	S	Bend	trans	-78.2	52.9	178.4	-58.9	-41.5	0	0	0	111.5	N166 N167	N166-D202 PolarHBondContact ND2-OD2 2.78Å; N167-D202 PolarHBondContact ND2-OD1 3.01Å; N167-D202 VanDerWaalsContact ND2-OD1 3.11Å
203	V	85.5	Confident	92.6	Very high	38 Å²	38	39.3 Å²	39.3	23%	0.23	21%	0.207	C	C	.	.			trans	-131.2	140.6	179.4	-61.7	0	0	0	0	110.3	M201 K205 K210	M201-V203 HydrophobicContact CB-CG2 3.89Å; M201-V203 HydrophobicContact CE-CG1 4.4Å; M201-V203 HydrophobicContact CE-CG2 4.13Å; M201-V203 PolarHBondContact O-N 2.92Å; V203-K205 PolarHBondContact O-N 2.99Å; V203-K210 HydrophobicContact CG1-CD 4.02Å
204	S	83	Confident	92.6	Very high	137 Å²	137	39.3 Å²	39.3	96%	0.958	21%	0.207	S	C	*	.	S	Bend	trans	-67.1	-28.5	179.2	58.3	0	0	0	0	113.2
205	K	88.2	Confident	92.6	Very high	115 Å²	115	39.4 Å²	39.4	50%	0.5	21%	0.208	S	C	.	.	S	Bend	trans	-146.4	130.7	177.8	-173	171.5	-176.4	162.7	0	109.5	V203 E241	V203-K205 PolarHBondContact O-N 2.99Å; K205-E241 WeakPolarHBondContact CE-OE1 3.45Å; K205-E241 IonicContact NZ-OE1 3.07Å; K205-E241 PolarHBondContact NZ-OE1 3.34Å; K205-E241 IonicContact NZ-OE2 2.65Å
206	L	92.3	Very high	92.7	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	20%	0.195	C	C	.	.			trans	-71.1	129.6	172.1	-165	65.5	0	0	0	109.7	I194 L197 N198 M201 V211 I237	I194-L206 HydrophobicContact CD1-CD2 4.31Å; I194-L206 HydrophobicContact CG2-CD2 4.08Å; L197-L206 HydrophobicContact CB-CD1 4.41Å; L197-L206 HydrophobicContact CB-CD2 4.2Å; N198-L206 HydrophobicContact CB-CB 4.48Å; N198-L206 HydrophobicContact CB-CD2 4.12Å; N198-L206 WeakPolarHBondContact OD1-CB 3.14Å; M201-L206 HydrophobicContact CE-CD1 3.87Å; M201-L206 HydrophobicContact SD-CD1 3.53Å; M201-L206 VanDerWaalsContact SD-CD1 3.53Å; L206-V211 HydrophobicContact CD1-CG2 3.47Å; L206-V211 VanDerWaalsContact CD1-CG2 3.47Å; L206-V211 HydrophobicContact CD2-CG2 4.36Å; L206-V211 HydrophobicContact CG-CG2 3.99Å; L206-I237 HydrophobicContact CD2-CD1 4.27Å; L206-I237 HydrophobicContact CD2-CG1 4.06Å; L206-I237 HydrophobicContact CG-CD1 4.04Å; L206-I237 HydrophobicContact CG-CG1 4.35Å
207	S	92.6	Very high	92.8	Very high	32 Å²	32	37.5 Å²	37.5	22%	0.224	20%	0.201	C	C	.	.			trans	-124.6	150.9	175.1	55.8	0	0	0	0	110	E209 K210	S207-E209 PolarHBondContact O-N 2.93Å; S207-E209 WeakPolarHBondContact OG-CG 3.21Å; S207-E209 PolarHBondContact OG-OE1 3.1Å; S207-K210 PolarHBondContact O-N 2.96Å; S207-K210 WeakPolarHBondContact OG-CG 3.28Å
208	A	92.3	Very high	92.8	Very high	6 Å²	6	41.1 Å²	41.1	5%	0.05	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-64.7	-27.1	-175.9	0	0	0	0	0	113.8	K210 V211 Q230 V233 E234 I237	A208-K210 PolarHBondContact O-N 2.97Å; A208-V211 PolarHBondContact O-N 3.27Å; A208-V211 VanDerWaalsContact O-O 3.08Å; A208-Q230 HydrophobicContact CB-CB 4.31Å; A208-Q230 WeakPolarHBondContact CB-O 3.27Å; A208-V233 HydrophobicContact CB-CB 3.9Å; A208-V233 HydrophobicContact CB-CG1 3.89Å; A208-E234 HydrophobicContact CB-CB 4.43Å; A208-E234 HydrophobicContact CB-CG 3.45Å; A208-E234 VanDerWaalsContact CB-CG 3.45Å; A208-I237 HydrophobicContact CB-CD1 4.38Å
209	E	89.6	Confident	92.9	Very high	93 Å²	93	43.8 Å²	43.8	44%	0.435	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-64	-26.6	173.7	71.8	-159.5	168.5	0	0	112.8	I52 S207	I52-E209 HydrophobicContact CD1-CG 4.1Å; I52-E209 HydrophobicContact CG2-CB 4.45Å; I52-E209 HydrophobicContact CG2-CG 4.28Å; I52-E209 WeakPolarHBondContact CG2-O 3.43Å; S207-E209 PolarHBondContact O-N 2.93Å; S207-E209 WeakPolarHBondContact OG-CG 3.21Å; S207-E209 PolarHBondContact OG-OE1 3.1Å
210	K	90.8	Very high	92.9	Very high	47 Å²	47	46.7 Å²	46.7	20%	0.204	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-90.5	-2.9	-177.2	-67.4	-176.8	-179.9	177.2	0	113.5	E48 R49 I52 M201 V203 S207 A208	E48-K210 WeakPolarHBondContact CA-O 3.47Å; R49-K210 PolarHBondContact N-O 3.39Å; I52-K210 HydrophobicContact CD1-CD 4.24Å; I52-K210 VanDerWaalsContact CD1-CE 3.43Å; I52-K210 HydrophobicContact CD1-CG 3.77Å; I52-K210 HydrophobicContact CG1-CG 4.47Å; M201-K210 HydrophobicContact CE-CB 4.23Å; V203-K210 HydrophobicContact CG1-CD 4.02Å; S207-K210 PolarHBondContact O-N 2.96Å; S207-K210 WeakPolarHBondContact OG-CG 3.28Å; A208-K210 PolarHBondContact O-N 2.97Å
211	V	93.2	Very high	92.8	Very high	4 Å²	4	49 Å²	49	2%	0.024	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125.2	-175.1	-172.1	0	0	0	0	110.3	A47 L197 M201 L206 A208 I213 V233	A47-V211 WeakPolarHBondContact O-CA 3.4Å; L197-V211 HydrophobicContact CD1-CG1 3.59Å; L197-V211 HydrophobicContact CD1-CG2 4.3Å; M201-V211 HydrophobicContact SD-CG2 4.37Å; L206-V211 HydrophobicContact CD1-CG2 3.47Å; L206-V211 VanDerWaalsContact CD1-CG2 3.47Å; L206-V211 HydrophobicContact CD2-CG2 4.36Å; L206-V211 HydrophobicContact CG-CG2 3.99Å; A208-V211 PolarHBondContact O-N 3.27Å; A208-V211 VanDerWaalsContact O-O 3.08Å; V211-I213 HydrophobicContact CG1-CD1 4.04Å; V211-I213 HydrophobicContact CG1-CG1 3.65Å; V211-V233 HydrophobicContact CB-CG1 4.29Å
212	E	94.1	Very high	93	Very high	4 Å²	4	56 Å²	56	2%	0.019	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	127.9	167	-163.5	172	154	0	0	109.1	A46 A47 R49 S62 E63 K64 I65 V227	A46-E212 CarbonylContact C-O 3.57Å; A46-E212 VanDerWaalsContact CA-O 3.26Å; A46-E212 WeakPolarHBondContact CA-O 3.24Å; A47-E212 PolarHBondContact N-O 3.32Å; A47-E212 PolarHBondContact O-N 3.46Å; R49-E212 HydrophobicContact CG-CB 4.31Å; R49-E212 IonicContact CZ-OE2 3.72Å; R49-E212 IonicContact NE-OE2 3.61Å; R49-E212 PolarHBondContact NE-OE2 2.93Å; R49-E212 IonicContact NH2-OE1 3.55Å; R49-E212 IonicContact NH2-OE2 2.73Å; R49-E212 PolarHBondContact NH2-OE2 2.97Å; S62-E212 WeakPolarHBondContact CA-OE1 3.41Å; S62-E212 WeakPolarHBondContact CB-OE1 3.42Å; E63-E212 PolarHBondContact N-OE2 2.72Å; K64-E212 PolarHBondContact N-OE2 3.46Å; I65-E212 WeakPolarHBondContact CB-OE1 3.15Å; I65-E212 HydrophobicContact CD1-CB 4.27Å; I65-E212 HydrophobicContact CD1-CG 3.94Å; I65-E212 HydrophobicContact CG1-CG 4.16Å; I65-E212 PolarHBondContact N-OE1 3.33Å; E212-V227 HydrophobicContact CG-CG1 4.01Å
213	I	97.5	Very high	93.6	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.8	176.9	-52.6	-174.4	0	0	0	108.8	L45 A46 L190 I194 V211 V227 L228 V233 L236	L45-I213 CarbonylContact O-C 3.28Å; L45-I213 WeakPolarHBondContact O-CA 3.49Å; A46-I213 HydrophobicContact CB-CD1 4.43Å; A46-I213 HydrophobicContact CB-CG1 3.91Å; A46-I213 HydrophobicContact CB-CG2 4.48Å; L190-I213 HydrophobicContact CD2-CG2 3.65Å; I194-I213 HydrophobicContact CD1-CD1 3.79Å; V211-I213 HydrophobicContact CG1-CD1 4.04Å; V211-I213 HydrophobicContact CG1-CG1 3.65Å; I213-V227 CarbonylContact O-C 3.55Å; I213-V227 WeakPolarHBondContact O-CA 3.48Å; I213-L228 HydrophobicContact CB-CB 4.39Å; I213-L228 HydrophobicContact CB-CD2 4.19Å; I213-L228 HydrophobicContact CG2-CD1 4.36Å; I213-L228 HydrophobicContact CG2-CD2 4.06Å; I213-L228 PolarHBondContact O-N 2.87Å; I213-V233 HydrophobicContact CD1-CG1 4.31Å; I213-V233 HydrophobicContact CD1-CG2 4.3Å; I213-V233 HydrophobicContact CG1-CG2 4.32Å; I213-L236 HydrophobicContact CD1-CD1 4.3Å
214	A	98	Very high	94.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	141.1	169.9	0	0	0	0	0	110.8	L44 L45 I65 R226 V227	L44-A214 CarbonylContact C-O 3.54Å; L44-A214 VanDerWaalsContact CA-O 3.23Å; L44-A214 WeakPolarHBondContact CA-O 3.35Å; L44-A214 WeakPolarHBondContact CB-O 3.41Å; L45-A214 PolarHBondContact N-O 2.81Å; L45-A214 PolarHBondContact O-N 3.35Å; I65-A214 HydrophobicContact CD1-CB 3.69Å; I65-A214 HydrophobicContact CG2-CB 3.74Å; A214-R226 CarbonylContact C-O 3.58Å; A214-R226 VanDerWaalsContact CA-O 3.22Å; A214-R226 WeakPolarHBondContact CA-O 3.44Å; A214-V227 HydrophobicContact CB-CG2 4.19Å
215	T	98.6	Very high	94.9	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	143.8	174.7	58.5	0	0	0	0	109.9	L44 L186 L190 I225 R226 L228	L44-T215 HydrophobicContact CB-CG2 4.15Å; L186-T215 HydrophobicContact CD1-CG2 4.05Å; L186-T215 HydrophobicContact CD2-CG2 4.21Å; L186-T215 HydrophobicContact CG-CG2 4.44Å; L190-T215 HydrophobicContact CD1-CG2 4.42Å; L190-T215 HydrophobicContact CD2-CG2 4.1Å; T215-I225 WeakPolarHBondContact O-CA 3.27Å; T215-R226 PolarHBondContact N-O 2.73Å; T215-R226 PolarHBondContact O-N 3.29Å; T215-L228 HydrophobicContact CG2-CD1 3.82Å
216	L	98.7	Very high	95.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118.6	171.1	-174.4	165.1	0	0	0	108.3	G42 V43 D71 I137 W139 F145 T223 V224 I225	G42-L216 CarbonylContact C-O 3.6Å; G42-L216 VanDerWaalsContact CA-O 3.25Å; G42-L216 WeakPolarHBondContact CA-O 3.37Å; V43-L216 HydrophobicContact CG1-CB 3.81Å; V43-L216 HydrophobicContact CG1-CD1 4.49Å; V43-L216 HydrophobicContact CG1-CD2 4.16Å; V43-L216 HydrophobicContact CG1-CG 4.38Å; V43-L216 PolarHBondContact N-O 3.05Å; V43-L216 PolarHBondContact O-N 3.44Å; D71-L216 WeakPolarHBondContact O-CD1 3.26Å; I137-L216 HydrophobicContact CD1-CB 3.79Å; I137-L216 HydrophobicContact CD1-CD1 4.46Å; I137-L216 HydrophobicContact CG1-CB 4.41Å; I137-L216 HydrophobicContact CG1-CD1 4.23Å; W139-L216 HydrophobicContact CB-CD2 3.8Å; F145-L216 HydrophobicContact CD1-CD2 3.73Å; F145-L216 HydrophobicContact CE1-CD2 3.66Å; L216-T223 HydrophobicContact CD1-CG2 3.92Å; L216-T223 HydrophobicContact CD2-CG2 3.49Å; L216-T223 VanDerWaalsContact CD2-CG2 3.49Å; L216-T223 HydrophobicContact CG-CG2 3.5Å; L216-V224 WeakPolarHBondContact CA-O 3.39Å; L216-I225 HydrophobicContact CB-CG1 4.28Å; L216-I225 HydrophobicContact CD1-CD1 4.13Å; L216-I225 HydrophobicContact CD1-CG1 3.91Å; L216-I225 HydrophobicContact CG-CG1 3.89Å
217	T	98.6	Very high	95.4	Very high	20 Å²	20	49 Å²	49	12%	0.123	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	173.9	-179.1	54.1	0	0	0	0	111	L186 T223 V224	L186-T217 HydrophobicContact CD2-CG2 3.42Å; L186-T217 VanDerWaalsContact CD2-CG2 3.42Å; T217-T223 WeakPolarHBondContact O-CA 3.4Å; T217-V224 PolarHBondContact N-O 2.7Å; T217-V224 PolarHBondContact O-N 3.27Å
218	R	97.9	Very high	95.6	Very high	76 Å²	76	48.2 Å²	48.2	29%	0.287	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	116.8	173.6	-65.8	-69.7	-71.6	168.7	2	110	W139 F145 G221 K222 T223	W139-R218 HydrophobicContact CD2-CG 4.32Å; W139-R218 HydrophobicContact CG-CG 4.14Å; W139-R218 VanDerWaalsContact CH2-NH2 3.34Å; W139-R218 VanDerWaalsContact CZ3-CZ 3.45Å; F145-R218 HydrophobicContact CE1-CG 3.73Å; F145-R218 HydrophobicContact CE2-CG 4.46Å; F145-R218 HydrophobicContact CZ-CB 4.15Å; F145-R218 HydrophobicContact CZ-CG 3.5Å; R218-G221 PolarHBondContact NH1-O 3.18Å; R218-G221 PolarHBondContact NH2-O 2.88Å; R218-K222 CarbonylContact C-O 3.59Å; R218-K222 WeakPolarHBondContact CA-O 3.48Å; R218-T223 PolarHBondContact NH1-OG1 3.28Å
219	E	96.5	Very high	95.6	Very high	95 Å²	95	55.4 Å²	55.4	44%	0.444	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.2	178.8	-61.8	-179.4	-165.8	0	0	108.8	G221 K222 V224	E219-G221 PolarHBondContact O-N 3.22Å; E219-G221 VanDerWaalsContact O-N 3.13Å; E219-K222 PolarHBondContact N-O 3.48Å; E219-K222 PolarHBondContact O-N 3.36Å; E219-V224 HydrophobicContact CB-CG2 3.82Å; E219-V224 HydrophobicContact CG-CB 4.4Å; E219-V224 HydrophobicContact CG-CG2 3.93Å
220	N	93.9	Very high	95.6	Very high	172 Å²	172	55.3 Å²	55.3	92%	0.92	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	39	-179.5	-57.5	-40.5	0	0	0	113.8	K222	N220-K222 VanDerWaalsContact C-N 3.26Å; N220-K222 PolarHBondContact O-N 3.29Å
221	G	91.6	Very high	95.9	Very high	56 Å²	56	60.6 Å²	60.6	58%	0.577	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	15.8	-179.1	0	0	0	0	0	114.7	R218 E219	R218-G221 PolarHBondContact NH1-O 3.18Å; R218-G221 PolarHBondContact NH2-O 2.88Å; E219-G221 PolarHBondContact O-N 3.22Å; E219-G221 VanDerWaalsContact O-N 3.13Å
222	K	95.5	Very high	96	Very high	157 Å²	157	63 Å²	63	68%	0.683	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	151.2	173.5	-65.6	-174.1	179.7	-177.2	0	111.3	R218 E219 N220	R218-K222 CarbonylContact C-O 3.59Å; R218-K222 WeakPolarHBondContact CA-O 3.48Å; E219-K222 PolarHBondContact N-O 3.48Å; E219-K222 PolarHBondContact O-N 3.36Å; N220-K222 VanDerWaalsContact C-N 3.26Å; N220-K222 PolarHBondContact O-N 3.29Å
223	T	98	Very high	96.2	Very high	15 Å²	15	62.8 Å²	62.8	9%	0.092	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	132.7	177.1	-57.1	0	0	0	0	108.5	D71 L216 T217 R218 I225	D71-T223 WeakPolarHBondContact OD1-CB 3.38Å; D71-T223 PolarHBondContact OD1-OG1 2.94Å; L216-T223 HydrophobicContact CD1-CG2 3.92Å; L216-T223 HydrophobicContact CD2-CG2 3.49Å; L216-T223 VanDerWaalsContact CD2-CG2 3.49Å; L216-T223 HydrophobicContact CG-CG2 3.5Å; T217-T223 WeakPolarHBondContact O-CA 3.4Å; R218-T223 PolarHBondContact NH1-OG1 3.28Å; T223-I225 HydrophobicContact CG2-CG1 4.25Å
224	V	98.3	Very high	96.2	Very high	43 Å²	43	67.7 Å²	67.7	26%	0.261	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	113.7	177	179.6	0	0	0	0	108	L216 T217 E219	L216-V224 WeakPolarHBondContact CA-O 3.39Å; T217-V224 PolarHBondContact N-O 2.7Å; T217-V224 PolarHBondContact O-N 3.27Å; E219-V224 HydrophobicContact CB-CG2 3.82Å; E219-V224 HydrophobicContact CG-CB 4.4Å; E219-V224 HydrophobicContact CG-CG2 3.93Å
225	I	97.7	Very high	96.2	Very high	40 Å²	40	74.2 Å²	74.2	21%	0.205	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	117.6	174.2	-58.7	170.7	0	0	0	107.5	K67 A73 T215 L216 T223	K67-I225 HydrophobicContact CG-CD1 4.25Å; A73-I225 HydrophobicContact CB-CD1 4.19Å; A73-I225 HydrophobicContact CB-CG2 4.12Å; T215-I225 WeakPolarHBondContact O-CA 3.27Å; L216-I225 HydrophobicContact CB-CG1 4.28Å; L216-I225 HydrophobicContact CD1-CD1 4.13Å; L216-I225 HydrophobicContact CD1-CG1 3.91Å; L216-I225 HydrophobicContact CG-CG1 3.89Å; T223-I225 HydrophobicContact CG2-CG1 4.25Å
226	R	95.7	Very high	96.2	Very high	105 Å²	105	75.8 Å²	75.8	40%	0.396	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	124.9	179.9	-171.5	174.8	87.5	-123.1	8.3	110.2	A214 T215 E232	A214-R226 CarbonylContact C-O 3.58Å; A214-R226 VanDerWaalsContact CA-O 3.22Å; A214-R226 WeakPolarHBondContact CA-O 3.44Å; T215-R226 PolarHBondContact N-O 2.73Å; T215-R226 PolarHBondContact O-N 3.29Å; R226-E232 IonicContact CZ-OE1 2.91Å; R226-E232 IonicContact NE-OE1 2.62Å; R226-E232 IonicContact NH2-OE1 2.73Å; R226-E232 PolarHBondContact NH2-OE1 3.49Å
227	V	94.7	Very high	96.1	Very high	61 Å²	61	76.4 Å²	76.4	37%	0.37	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	125.1	162.2	-176.6	0	0	0	0	107.6	E212 I213 A214	E212-V227 HydrophobicContact CG-CG1 4.01Å; I213-V227 CarbonylContact O-C 3.55Å; I213-V227 WeakPolarHBondContact O-CA 3.48Å; A214-V227 HydrophobicContact CB-CG2 4.19Å
228	L	95.4	Very high	96.1	Very high	16 Å²	16	81.4 Å²	81.4	8%	0.084	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-68	139.9	-178.9	-84.7	60.5	0	0	0	109.8	L190 I213 T215 E232 V233 L236	L190-L228 HydrophobicContact CD2-CD2 4.18Å; I213-L228 HydrophobicContact CB-CB 4.39Å; I213-L228 HydrophobicContact CB-CD2 4.19Å; I213-L228 HydrophobicContact CG2-CD1 4.36Å; I213-L228 HydrophobicContact CG2-CD2 4.06Å; I213-L228 PolarHBondContact O-N 2.87Å; T215-L228 HydrophobicContact CG2-CD1 3.82Å; L228-E232 HydrophobicContact CB-CB 4.23Å; L228-E232 HydrophobicContact CD2-CB 4.4Å; L228-E232 HydrophobicContact CG-CB 4.3Å; L228-V233 HydrophobicContact CB-CG2 3.98Å; L228-L236 HydrophobicContact CD2-CD1 3.87Å
229	K	92.8	Very high	96	Very high	156 Å²	156	81.8 Å²	81.8	68%	0.678	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-70.7	153.8	172.5	-63	178.3	-178.1	177.5	0	109.7	K231 E232 V233	K229-K231 PolarHBondContact O-N 3.3Å; K229-K231 VanDerWaalsContact O-N 3.13Å; K229-E232 PolarHBondContact N-OE2 2.94Å; K229-E232 WeakPolarHBondContact O-CA 3.19Å; K229-E232 WeakPolarHBondContact O-CB 3.44Å; K229-E232 PolarHBondContact O-N 3.38Å; K229-V233 PolarHBondContact O-N 3.24Å; K229-V233 VanDerWaalsContact O-N 3.15Å
230	Q	91	Very high	96	Very high	92 Å²	92	77.8 Å²	77.8	43%	0.43	38%	0.38	S	S	.	.	H	α-helix	trans	-50.5	-43.1	177.5	-68.7	-177.6	8.9	0	0	112.4	A208 E232 V233 E234	A208-Q230 HydrophobicContact CB-CB 4.31Å; A208-Q230 WeakPolarHBondContact CB-O 3.27Å; Q230-E232 VanDerWaalsContact C-N 3.3Å; Q230-E232 PolarHBondContact O-N 2.84Å; Q230-V233 CarbonylContact O-C 3.55Å; Q230-V233 WeakPolarHBondContact O-CA 3.34Å; Q230-V233 WeakPolarHBondContact O-CB 3.39Å; Q230-V233 PolarHBondContact O-N 3.47Å; Q230-E234 WeakPolarHBondContact O-CG 3.23Å; Q230-E234 PolarHBondContact O-N 3.06Å
231	K	95.5	Very high	96.1	Very high	158 Å²	158	72.9 Å²	72.9	69%	0.687	35%	0.351	S	S	*	.	H	α-helix	trans	-58	-36.1	176	-66.7	-173.8	178.4	-177.2	0	114.2	K229 Q235	K229-K231 PolarHBondContact O-N 3.3Å; K229-K231 VanDerWaalsContact O-N 3.13Å; K231-Q235 VanDerWaalsContact O-CG 3.3Å; K231-Q235 WeakPolarHBondContact O-CG 3.39Å; K231-Q235 PolarHBondContact O-N 3.27Å
232	E	96.9	Very high	96.3	Very high	53 Å²	53	75.5 Å²	75.5	25%	0.248	35%	0.348	C	S	.	.	H	α-helix	trans	-70.4	-40.5	175.9	-66.5	171.1	88.5	0	0	110.1	R226 L228 K229 Q230 Q235 L236	R226-E232 IonicContact CZ-OE1 2.91Å; R226-E232 IonicContact NE-OE1 2.62Å; R226-E232 IonicContact NH2-OE1 2.73Å; R226-E232 PolarHBondContact NH2-OE1 3.49Å; L228-E232 HydrophobicContact CB-CB 4.23Å; L228-E232 HydrophobicContact CD2-CB 4.4Å; L228-E232 HydrophobicContact CG-CB 4.3Å; K229-E232 PolarHBondContact N-OE2 2.94Å; K229-E232 WeakPolarHBondContact O-CA 3.19Å; K229-E232 WeakPolarHBondContact O-CB 3.44Å; K229-E232 PolarHBondContact O-N 3.38Å; Q230-E232 VanDerWaalsContact C-N 3.3Å; Q230-E232 PolarHBondContact O-N 2.84Å; E232-Q235 PolarHBondContact O-N 3.45Å; E232-L236 WeakPolarHBondContact O-CG 3.41Å; E232-L236 PolarHBondContact O-N 3.33Å; E232-L236 VanDerWaalsContact O-N 3.16Å
233	V	96.8	Very high	96.2	Very high	1 Å²	1	72.4 Å²	72.4	1%	0.006	34%	0.336	C	S	.	.	H	α-helix	trans	-65.2	-42.1	176	-177.6	0	0	0	0	111.1	A208 V211 I213 L228 K229 Q230 Q235 L236 I237	A208-V233 HydrophobicContact CB-CB 3.9Å; A208-V233 HydrophobicContact CB-CG1 3.89Å; V211-V233 HydrophobicContact CB-CG1 4.29Å; I213-V233 HydrophobicContact CD1-CG1 4.31Å; I213-V233 HydrophobicContact CD1-CG2 4.3Å; I213-V233 HydrophobicContact CG1-CG2 4.32Å; L228-V233 HydrophobicContact CB-CG2 3.98Å; K229-V233 PolarHBondContact O-N 3.24Å; K229-V233 VanDerWaalsContact O-N 3.15Å; Q230-V233 CarbonylContact O-C 3.55Å; Q230-V233 WeakPolarHBondContact O-CA 3.34Å; Q230-V233 WeakPolarHBondContact O-CB 3.39Å; Q230-V233 PolarHBondContact O-N 3.47Å; V233-Q235 VanDerWaalsContact C-N 3.29Å; V233-Q235 PolarHBondContact O-N 3.42Å; V233-L236 PolarHBondContact O-N 3.4Å; V233-L236 VanDerWaalsContact O-N 3.13Å; V233-I237 HydrophobicContact CG1-CD1 3.97Å; V233-I237 HydrophobicContact CG1-CG1 4.43Å; V233-I237 WeakPolarHBondContact O-CG1 3.35Å; V233-I237 PolarHBondContact O-N 3.48Å
234	E	97.4	Very high	96	Very high	102 Å²	102	74.9 Å²	74.9	48%	0.477	35%	0.347	S	S	.	.	H	α-helix	trans	-57	-41.5	174.1	-71.9	172.1	173.7	0	0	112	A208 Q230 I237 K238	A208-E234 HydrophobicContact CB-CB 4.43Å; A208-E234 HydrophobicContact CB-CG 3.45Å; A208-E234 VanDerWaalsContact CB-CG 3.45Å; Q230-E234 WeakPolarHBondContact O-CG 3.23Å; Q230-E234 PolarHBondContact O-N 3.06Å; E234-I237 PolarHBondContact O-N 3.2Å; E234-K238 VanDerWaalsContact O-CB 3.32Å; E234-K238 WeakPolarHBondContact O-CB 3.37Å; E234-K238 PolarHBondContact O-N 2.85Å
235	Q	98.2	Very high	95.8	Very high	138 Å²	138	75.5 Å²	75.5	65%	0.645	36%	0.357	S	S	*	.	H	α-helix	trans	-64.6	-39.9	176.7	-73.2	171.9	0.7	0	0	112	K231 E232 V233 K239	K231-Q235 VanDerWaalsContact O-CG 3.3Å; K231-Q235 WeakPolarHBondContact O-CG 3.39Å; K231-Q235 PolarHBondContact O-N 3.27Å; E232-Q235 PolarHBondContact O-N 3.45Å; V233-Q235 VanDerWaalsContact C-N 3.29Å; V233-Q235 PolarHBondContact O-N 3.42Å; Q235-K239 WeakPolarHBondContact O-CB 3.45Å; Q235-K239 PolarHBondContact O-N 3.3Å
236	L	98.3	Very high	95.6	Very high	36 Å²	36	80 Å²	80	19%	0.188	37%	0.374	C	S	.	.	H	α-helix	trans	-65.9	-42.8	175.9	-65.4	171.8	0	0	0	111.5	L190 I194 I213 L228 E232 V233 K239 H240	L190-L236 HydrophobicContact CB-CD1 4.25Å; L190-L236 HydrophobicContact CB-CD2 4.22Å; L190-L236 HydrophobicContact CD2-CD1 4.07Å; I194-L236 HydrophobicContact CD1-CB 4.35Å; I194-L236 HydrophobicContact CG1-CB 3.83Å; I213-L236 HydrophobicContact CD1-CD1 4.3Å; L228-L236 HydrophobicContact CD2-CD1 3.87Å; E232-L236 WeakPolarHBondContact O-CG 3.41Å; E232-L236 PolarHBondContact O-N 3.33Å; E232-L236 VanDerWaalsContact O-N 3.16Å; V233-L236 PolarHBondContact O-N 3.4Å; V233-L236 VanDerWaalsContact O-N 3.13Å; L236-K239 PolarHBondContact O-N 3.23Å; L236-H240 PolarHBondContact O-N 2.9Å
237	I	98	Very high	95.4	Very high	12 Å²	12	77.7 Å²	77.7	6%	0.062	38%	0.378	C	S	.	.	H	α-helix	trans	-62.3	-50.1	176.4	-66.3	169.2	0	0	0	110.3	I194 L206 A208 V233 E234 K239 H240 E241	I194-I237 HydrophobicContact CD1-CG1 4.16Å; I194-I237 HydrophobicContact CG2-CG1 4.33Å; L206-I237 HydrophobicContact CD2-CD1 4.27Å; L206-I237 HydrophobicContact CD2-CG1 4.06Å; L206-I237 HydrophobicContact CG-CD1 4.04Å; L206-I237 HydrophobicContact CG-CG1 4.35Å; A208-I237 HydrophobicContact CB-CD1 4.38Å; V233-I237 HydrophobicContact CG1-CD1 3.97Å; V233-I237 HydrophobicContact CG1-CG1 4.43Å; V233-I237 WeakPolarHBondContact O-CG1 3.35Å; V233-I237 PolarHBondContact O-N 3.48Å; E234-I237 PolarHBondContact O-N 3.2Å; I237-K239 VanDerWaalsContact C-N 3.31Å; I237-K239 PolarHBondContact O-N 3.13Å; I237-H240 WeakPolarHBondContact O-CB 3.38Å; I237-H240 PolarHBondContact O-N 3.18Å; I237-H240 VanDerWaalsContact O-N 3.12Å; I237-E241 HydrophobicContact CG2-CG 4.49Å; I237-E241 WeakPolarHBondContact O-CG 3.36Å; I237-E241 PolarHBondContact O-N 3.46Å
238	K	97.5	Very high	95.3	Very high	126 Å²	126	79.8 Å²	79.8	55%	0.548	38%	0.384	S	S	.	.	H	α-helix	trans	-58.8	-42.8	179.2	-175.9	179.3	176.2	-174.9	0	111.8	E234 H240 E241 E242	E234-K238 VanDerWaalsContact O-CB 3.32Å; E234-K238 WeakPolarHBondContact O-CB 3.37Å; E234-K238 PolarHBondContact O-N 2.85Å; K238-H240 VanDerWaalsContact C-N 3.33Å; K238-H240 PolarHBondContact O-N 2.83Å; K238-E241 PolarHBondContact O-N 2.91Å; K238-E242 WeakPolarHBondContact CE-OE1 3.35Å; K238-E242 WeakPolarHBondContact O-CG 3.3Å; K238-E242 PolarHBondContact O-N 3.03Å
239	K	97.2	Very high	95.2	Very high	83 Å²	83	87.1 Å²	87.1	36%	0.361	41%	0.411	S	S	.	.	H	α-helix	trans	-62.3	-41.1	176.7	-172.2	173.9	-178.7	-78.9	0	111.9	Q235 L236 I237 E242 E243	Q235-K239 WeakPolarHBondContact O-CB 3.45Å; Q235-K239 PolarHBondContact O-N 3.3Å; L236-K239 PolarHBondContact O-N 3.23Å; I237-K239 VanDerWaalsContact C-N 3.31Å; I237-K239 PolarHBondContact O-N 3.13Å; K239-E242 PolarHBondContact O-N 3.46Å; K239-E243 IonicContact NZ-OE1 3.24Å; K239-E243 PolarHBondContact NZ-OE1 2.97Å; K239-E243 WeakPolarHBondContact O-CG 3.43Å; K239-E243 PolarHBondContact O-N 3.07Å
240	H	96.5	Very high	95.2	Very high	12 Å²	12	83.9 Å²	83.9	6%	0.056	40%	0.398	C	S	.	.	H	α-helix	trans	-63.2	-43.4	175.2	175.2	73.8	0	0	0	111.8	I194 N198 L236 I237 K238 E242 E243 E244	I194-H240 HydrophobicContact CG2-CB 3.59Å; N198-H240 PolarHBondContact ND2-NE2 3.12Å; L236-H240 PolarHBondContact O-N 2.9Å; I237-H240 WeakPolarHBondContact O-CB 3.38Å; I237-H240 PolarHBondContact O-N 3.18Å; I237-H240 VanDerWaalsContact O-N 3.12Å; K238-H240 VanDerWaalsContact C-N 3.33Å; K238-H240 PolarHBondContact O-N 2.83Å; H240-E242 PolarHBondContact O-N 3.33Å; H240-E243 PolarHBondContact O-N 3.35Å; H240-E244 IonicContact CD2-OE2 3.01Å; H240-E244 VanDerWaalsContact CE1-CD 3.47Å; H240-E244 IonicContact CE1-OE1 2.8Å; H240-E244 IonicContact CE1-OE2 2.82Å; H240-E244 IonicContact NE2-OE1 3.34Å; H240-E244 IonicContact NE2-OE2 3.82Å; H240-E244 PolarHBondContact NE2-OE2 3.23Å; H240-E244 PolarHBondContact O-N 2.65Å
241	E	95.4	Very high	95.3	Very high	69 Å²	69	85.7 Å²	85.7	32%	0.322	40%	0.404	S	S	.	.	H	α-helix	trans	-60.8	-42.5	175.2	-69	178.9	173.9	0	0	112.3	K205 I237 K238 E244 A245	K205-E241 WeakPolarHBondContact CE-OE1 3.45Å; K205-E241 IonicContact NZ-OE1 3.07Å; K205-E241 PolarHBondContact NZ-OE1 3.34Å; K205-E241 IonicContact NZ-OE2 2.65Å; I237-E241 HydrophobicContact CG2-CG 4.49Å; I237-E241 WeakPolarHBondContact O-CG 3.36Å; I237-E241 PolarHBondContact O-N 3.46Å; K238-E241 PolarHBondContact O-N 2.91Å; E241-E244 PolarHBondContact O-N 3.42Å; E241-A245 WeakPolarHBondContact O-CB 3.33Å; E241-A245 PolarHBondContact O-N 2.91Å
242	E	96	Very high	95.1	Very high	111 Å²	111	83.9 Å²	83.9	52%	0.519	40%	0.396	S	S	.	.	H	α-helix	trans	-63.9	-40.5	176.5	-72.6	171.8	-177.6	0	0	112.1	K238 K239 H240 K246	K238-E242 WeakPolarHBondContact CE-OE1 3.35Å; K238-E242 WeakPolarHBondContact O-CG 3.3Å; K238-E242 PolarHBondContact O-N 3.03Å; K239-E242 PolarHBondContact O-N 3.46Å; H240-E242 PolarHBondContact O-N 3.33Å; E242-K246 WeakPolarHBondContact O-CB 3.41Å; E242-K246 PolarHBondContact O-N 3.4Å
243	E	94.1	Very high	94.8	Very high	91 Å²	91	85.2 Å²	85.2	43%	0.425	40%	0.403	S	S	.	.	H	α-helix	trans	-66.9	-41.9	176.8	-75	176.1	-177.4	0	0	112.1	K239 H240 K246 A247	K239-E243 IonicContact NZ-OE1 3.24Å; K239-E243 PolarHBondContact NZ-OE1 2.97Å; K239-E243 WeakPolarHBondContact O-CG 3.43Å; K239-E243 PolarHBondContact O-N 3.07Å; H240-E243 PolarHBondContact O-N 3.35Å; E243-K246 PolarHBondContact O-N 3.18Å; E243-A247 WeakPolarHBondContact O-CB 3.3Å; E243-A247 PolarHBondContact O-N 2.86Å
244	E	92.2	Very high	94.4	Very high	67 Å²	67	91.7 Å²	91.7	31%	0.313	43%	0.431	S	S	.	.	H	α-helix	trans	-66.3	-43.5	175.5	-76.2	-162.8	133	0	0	111.8	N198 K199 H240 E241 K246 A247 E248	N198-E244 PolarHBondContact ND2-OE2 2.79Å; K199-E244 WeakPolarHBondContact CE-OE1 3.21Å; K199-E244 IonicContact NZ-OE1 3.77Å; K199-E244 PolarHBondContact NZ-OE1 3.48Å; H240-E244 IonicContact CD2-OE2 3.01Å; H240-E244 VanDerWaalsContact CE1-CD 3.47Å; H240-E244 IonicContact CE1-OE1 2.8Å; H240-E244 IonicContact CE1-OE2 2.82Å; H240-E244 IonicContact NE2-OE1 3.34Å; H240-E244 IonicContact NE2-OE2 3.82Å; H240-E244 PolarHBondContact NE2-OE2 3.23Å; H240-E244 PolarHBondContact O-N 2.65Å; E241-E244 PolarHBondContact O-N 3.42Å; E244-K246 VanDerWaalsContact C-N 3.31Å; E244-K246 PolarHBondContact O-N 2.9Å; E244-A247 PolarHBondContact O-N 3.49Å; E244-E248 PolarHBondContact O-N 3.28Å
245	A	93.9	Very high	93.9	Very high	57 Å²	57	90.9 Å²	90.9	47%	0.471	43%	0.427	S	S	.	.	H	α-helix	trans	-62	-39.3	177	0	0	0	0	0	112.1	E241 R249	E241-A245 WeakPolarHBondContact O-CB 3.33Å; E241-A245 PolarHBondContact O-N 2.91Å; A245-R249 WeakPolarHBondContact O-CB 3.37Å; A245-R249 PolarHBondContact O-N 3.4Å
246	K	94.3	Very high	93.3	Very high	133 Å²	133	89 Å²	89	58%	0.578	42%	0.418	S	S	*	.	H	α-helix	trans	-64.4	-46.8	174.6	-176.2	-179.5	173.1	-174.4	0	111.5	E242 E243 E244 E248 R249 E250	E242-K246 WeakPolarHBondContact O-CB 3.41Å; E242-K246 PolarHBondContact O-N 3.4Å; E243-K246 PolarHBondContact O-N 3.18Å; E244-K246 VanDerWaalsContact C-N 3.31Å; E244-K246 PolarHBondContact O-N 2.9Å; K246-E248 VanDerWaalsContact C-N 3.31Å; K246-E248 PolarHBondContact O-N 3.44Å; K246-R249 PolarHBondContact O-N 2.97Å; K246-E250 WeakPolarHBondContact CE-OE1 3.49Å; K246-E250 IonicContact NZ-OE1 3.79Å; K246-E250 WeakPolarHBondContact O-CG 3.43Å; K246-E250 PolarHBondContact O-N 3.44Å
247	A	92.3	Very high	92.6	Very high	57 Å²	57	93.9 Å²	93.9	47%	0.471	44%	0.438	S	S	.	.	H	α-helix	trans	-62.3	-38.4	178.9	0	0	0	0	0	112.2	E243 E244 K251	E243-A247 WeakPolarHBondContact O-CB 3.3Å; E243-A247 PolarHBondContact O-N 2.86Å; E244-A247 PolarHBondContact O-N 3.49Å; A247-K251 WeakPolarHBondContact O-CB 3.49Å; A247-K251 PolarHBondContact O-N 2.88Å
248	E	92.5	Very high	91.8	Very high	106 Å²	106	100.1 Å²	100.1	50%	0.495	47%	0.466	S	S	.	.	H	α-helix	trans	-67	-41.9	176.2	-165.5	-171.2	156.7	0	0	111.9	E244 K246 K251 K252	E244-E248 PolarHBondContact O-N 3.28Å; K246-E248 VanDerWaalsContact C-N 3.31Å; K246-E248 PolarHBondContact O-N 3.44Å; E248-K251 PolarHBondContact O-N 3.16Å; E248-K252 HydrophobicContact CG-CD 4.42Å; E248-K252 WeakPolarHBondContact O-CG 3.46Å; E248-K252 PolarHBondContact O-N 2.97Å; E248-K252 VanDerWaalsContact OE1-CE 3.3Å; E248-K252 WeakPolarHBondContact OE1-CE 3.43Å; E248-K252 IonicContact OE1-NZ 3.66Å; E248-K252 PolarHBondContact OE1-NZ 3.32Å
249	R	93.2	Very high	91	Very high	170 Å²	170	101.8 Å²	101.8	64%	0.642	47%	0.474	S	S	*	.	H	α-helix	trans	-61.6	-46.8	175.1	-178.5	178.9	172.9	171	3	111.6	A245 K246 K251 K252 E253	A245-R249 WeakPolarHBondContact O-CB 3.37Å; A245-R249 PolarHBondContact O-N 3.4Å; K246-R249 PolarHBondContact O-N 2.97Å; R249-K251 VanDerWaalsContact C-N 3.29Å; R249-K251 PolarHBondContact O-N 2.97Å; R249-K252 PolarHBondContact O-N 3.49Å; R249-E253 HydrophobicContact CG-CG 4.48Å; R249-E253 WeakPolarHBondContact CG-OE1 3.39Å; R249-E253 IonicContact CZ-OE1 3.74Å; R249-E253 IonicContact NE-OE1 3.87Å; R249-E253 PolarHBondContact NE-OE1 2.91Å; R249-E253 IonicContact NH2-OE1 3.56Å; R249-E253 WeakPolarHBondContact O-CB 3.14Å; R249-E253 WeakPolarHBondContact O-CG 3.07Å; R249-E253 PolarHBondContact O-N 3.32Å
250	E	93	Very high	90.2	Very high	87 Å²	87	103.5 Å²	103.5	41%	0.407	49%	0.487	S	S	.	.	H	α-helix	trans	-62.9	-36.5	177.8	-73	178.2	-177.4	0	0	112.1	K246 K254	K246-E250 WeakPolarHBondContact CE-OE1 3.49Å; K246-E250 IonicContact NZ-OE1 3.79Å; K246-E250 WeakPolarHBondContact O-CG 3.43Å; K246-E250 PolarHBondContact O-N 3.44Å; E250-K254 VanDerWaalsContact O-CG 3.32Å; E250-K254 WeakPolarHBondContact O-CG 3.28Å; E250-K254 PolarHBondContact O-N 3.38Å
251	K	92.3	Very high	88.7	Confident	130 Å²	130	114.1 Å²	114.1	57%	0.565	53%	0.533	S	S	*	.	H	α-helix	trans	-64.6	-47.4	174.3	-174	179.9	174.2	-173.4	0	111.4	A247 E248 R249 E253 K254 E255	A247-K251 WeakPolarHBondContact O-CB 3.49Å; A247-K251 PolarHBondContact O-N 2.88Å; E248-K251 PolarHBondContact O-N 3.16Å; R249-K251 VanDerWaalsContact C-N 3.29Å; R249-K251 PolarHBondContact O-N 2.97Å; K251-E253 VanDerWaalsContact C-N 3.35Å; K251-E253 PolarHBondContact O-N 3.4Å; K251-K254 PolarHBondContact O-N 3.42Å; K251-E255 WeakPolarHBondContact CE-OE1 3.19Å; K251-E255 WeakPolarHBondContact O-CG 3.25Å; K251-E255 PolarHBondContact O-N 3.39Å
252	K	91.3	Very high	88.4	Confident	120 Å²	120	116.4 Å²	116.4	52%	0.522	54%	0.543	S	S	.	.	H	α-helix	trans	-61.4	-41	176.6	-75.4	170.3	169.6	167.8	0	112.3	E248 R249 K254 E255 Q256	E248-K252 HydrophobicContact CG-CD 4.42Å; E248-K252 WeakPolarHBondContact O-CG 3.46Å; E248-K252 PolarHBondContact O-N 2.97Å; E248-K252 VanDerWaalsContact OE1-CE 3.3Å; E248-K252 WeakPolarHBondContact OE1-CE 3.43Å; E248-K252 IonicContact OE1-NZ 3.66Å; E248-K252 PolarHBondContact OE1-NZ 3.32Å; R249-K252 PolarHBondContact O-N 3.49Å; K252-K254 VanDerWaalsContact C-N 3.35Å; K252-E255 PolarHBondContact O-N 3.15Å; K252-Q256 WeakPolarHBondContact O-CB 3.26Å; K252-Q256 PolarHBondContact O-N 2.87Å
253	E	90.3	Very high	88	Confident	82 Å²	82	116.6 Å²	116.6	38%	0.383	55%	0.545	S	S	.	.	H	α-helix	trans	-66.6	-34.4	176.5	-73.3	177	-171.3	0	0	112.3	R249 K251 K257	R249-E253 HydrophobicContact CG-CG 4.48Å; R249-E253 WeakPolarHBondContact CG-OE1 3.39Å; R249-E253 IonicContact CZ-OE1 3.74Å; R249-E253 IonicContact NE-OE1 3.87Å; R249-E253 PolarHBondContact NE-OE1 2.91Å; R249-E253 IonicContact NH2-OE1 3.56Å; R249-E253 WeakPolarHBondContact O-CB 3.14Å; R249-E253 WeakPolarHBondContact O-CG 3.07Å; R249-E253 PolarHBondContact O-N 3.32Å; K251-E253 VanDerWaalsContact C-N 3.35Å; K251-E253 PolarHBondContact O-N 3.4Å; E253-K257 VanDerWaalsContact O-CG 3.29Å; E253-K257 WeakPolarHBondContact O-CG 3.41Å; E253-K257 PolarHBondContact O-N 2.86Å; E253-K257 VanDerWaalsContact O-N 3.17Å
254	K	87.9	Confident	87.6	Confident	137 Å²	137	118.1 Å²	118.1	60%	0.596	55%	0.551	S	S	*	*	H	α-helix	trans	-69	-47.4	173	-75.8	174.6	-178.4	177.4	0	111.9	E250 K251 K252 Q256 K257 E258	E250-K254 VanDerWaalsContact O-CG 3.32Å; E250-K254 WeakPolarHBondContact O-CG 3.28Å; E250-K254 PolarHBondContact O-N 3.38Å; K251-K254 PolarHBondContact O-N 3.42Å; K252-K254 VanDerWaalsContact C-N 3.35Å; K254-Q256 VanDerWaalsContact C-N 3.28Å; K254-Q256 PolarHBondContact O-N 3.02Å; K254-K257 PolarHBondContact O-N 3.17Å; K254-E258 WeakPolarHBondContact O-CG 3.16Å; K254-E258 PolarHBondContact O-N 3.36Å
255	E	88.5	Confident	87.4	Confident	85 Å²	85	121.1 Å²	121.1	40%	0.397	57%	0.565	S	S	.	*	H	α-helix	trans	-61.3	-36.7	177.8	-72.3	174.6	-177.4	0	0	112.1	K251 K252 E258 K259	K251-E255 WeakPolarHBondContact CE-OE1 3.19Å; K251-E255 WeakPolarHBondContact O-CG 3.25Å; K251-E255 PolarHBondContact O-N 3.39Å; K252-E255 PolarHBondContact O-N 3.15Å; E255-E258 PolarHBondContact O-N 3.44Å; E255-K259 WeakPolarHBondContact O-CG 3.33Å; E255-K259 PolarHBondContact O-N 3.14Å; E255-K259 VanDerWaalsContact O-N 3.15Å
256	Q	85.5	Confident	87	Confident	97 Å²	97	125.1 Å²	125.1	45%	0.453	57%	0.571	S	S	.	*	H	α-helix	trans	-67.7	-44.5	175.3	-173.4	58.4	40.9	0	0	111.7	K252 K254 E258 K259 D260	K252-Q256 WeakPolarHBondContact O-CB 3.26Å; K252-Q256 PolarHBondContact O-N 2.87Å; K254-Q256 VanDerWaalsContact C-N 3.28Å; K254-Q256 PolarHBondContact O-N 3.02Å; Q256-E258 PolarHBondContact O-N 3.18Å; Q256-K259 PolarHBondContact O-N 2.92Å; Q256-K259 VanDerWaalsContact O-N 3.11Å; Q256-D260 VanDerWaalsContact NE2-CG 3.34Å; Q256-D260 PolarHBondContact NE2-OD1 2.82Å; Q256-D260 PolarHBondContact NE2-OD2 3.29Å; Q256-D260 VanDerWaalsContact NE2-OD2 3.08Å; Q256-D260 PolarHBondContact O-N 2.93Å
257	K	83	Confident	86.5	Confident	140 Å²	140	124.5 Å²	124.5	61%	0.609	57%	0.571	S	S	*	*	H	α-helix	trans	-63.8	-27.5	176.2	-75.6	174.5	-177.8	176	0	113.6	E253 K254 K261	E253-K257 VanDerWaalsContact O-CG 3.29Å; E253-K257 WeakPolarHBondContact O-CG 3.41Å; E253-K257 PolarHBondContact O-N 2.86Å; E253-K257 VanDerWaalsContact O-N 3.17Å; K254-K257 PolarHBondContact O-N 3.17Å; K257-K261 WeakPolarHBondContact O-CG 3.4Å
258	E	81.5	Confident	86.1	Confident	142 Å²	142	129.4 Å²	129.4	66%	0.664	58%	0.578	S	S	*	*	H	α-helix	trans	-77.4	-29.5	174.1	-74.8	177	177.7	0	0	112.5	K254 E255 Q256	K254-E258 WeakPolarHBondContact O-CG 3.16Å; K254-E258 PolarHBondContact O-N 3.36Å; E255-E258 PolarHBondContact O-N 3.44Å; Q256-E258 PolarHBondContact O-N 3.18Å
259	K	79.6	Confident	85.6	Confident	162 Å²	162	131.2 Å²	131.2	70%	0.704	58%	0.584	S	S	*	*	H	α-helix	trans	-78	-28.8	174.7	-74	176.9	-177.8	176.8	0	113.8	E255 Q256 K261	E255-K259 WeakPolarHBondContact O-CG 3.33Å; E255-K259 PolarHBondContact O-N 3.14Å; E255-K259 VanDerWaalsContact O-N 3.15Å; Q256-K259 PolarHBondContact O-N 2.92Å; Q256-K259 VanDerWaalsContact O-N 3.11Å; K259-K261 VanDerWaalsContact C-N 3.3Å
260	D	80	Confident	84.9	Confident	118 Å²	118	127.9 Å²	127.9	63%	0.631	58%	0.579	S	S	*	*			trans	-84.2	-2.9	179.5	-64	-26.2	0	0	0	113.2	Q256	Q256-D260 VanDerWaalsContact NE2-CG 3.34Å; Q256-D260 PolarHBondContact NE2-OD1 2.82Å; Q256-D260 PolarHBondContact NE2-OD2 3.29Å; Q256-D260 VanDerWaalsContact NE2-OD2 3.08Å; Q256-D260 PolarHBondContact O-N 2.93Å
261	K	66.2	Low	84.2	Confident	235 Å²	235	131.6 Å²	131.6	100%	1.022	60%	0.595	S	S	*	*			trans	-99.4	0	174.4	-80.8	-177.8	177.3	-175.6	0	111.4	K257 K259	K257-K261 WeakPolarHBondContact O-CG 3.4Å; K259-K261 VanDerWaalsContact C-N 3.3Å

Retrieved 261 of 261 residues in 1380.4 ms (Link to these results)

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