A0A674D1S5_SALTR Loading...

poly(A)-specific ribonuclease

AlphaFold DB , UniProt , Accession A0A674D1S5, Species SALTR (Salmo trutta, Brown trout), Gene CNOT7, Length 286 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	47.3	Very low	236 Å²	236	117.4 Å²	117.4	100%	1.163	69%	0.687	S	S	*	*				0	131.3	0	-61.6	-169.9	-155	0	0	106.6	A3	M1-A3 PolarHBondContact O-N 2.7Å
2	P	32.3	Very low	51.5	Low	133 Å²	133	110.2 Å²	110.2	86%	0.864	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-69.8	132.4	-179	23.4	-19.8	0	0	0	109.2	A4	P2-A4 PolarHBondContact O-N 3.34Å
3	A	36.2	Very low	55.1	Low	96 Å²	96	103.3 Å²	103.3	79%	0.793	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-56.9	125.2	176.5	0	0	0	0	0	109.1	M1 T5	M1-A3 PolarHBondContact O-N 2.7Å; A3-T5 PolarHBondContact O-N 3.44Å
4	A	38.7	Very low	58.2	Low	87 Å²	87	101.1 Å²	101.1	72%	0.719	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-59.2	121.1	171.2	0	0	0	0	0	107.9	P2 V6	P2-A4 PolarHBondContact O-N 3.34Å; A4-V6 PolarHBondContact O-N 3.46Å
5	T	36.5	Very low	60.9	Low	138 Å²	138	94.3 Å²	94.3	85%	0.847	55%	0.546	S	S	*	.			trans	-57.2	105.7	167.6	45.8	0	0	0	0	107.4	A3 D7	A3-T5 PolarHBondContact O-N 3.44Å; T5-D7 PolarHBondContact O-N 3.31Å
6	V	42.7	Very low	63.3	Low	98 Å²	98	89.5 Å²	89.5	59%	0.594	52%	0.516	S	S	*	.			trans	-65.1	115.2	173.5	-178.4	0	0	0	0	106	A4 H8	A4-V6 PolarHBondContact O-N 3.46Å; V6-H8 PolarHBondContact O-CD2 2.92Å; V6-H8 VanDerWaalsContact O-CD2 3.27Å; V6-H8 PolarHBondContact O-N 3.11Å
7	D	42.1	Very low	65.4	Low	107 Å²	107	87.3 Å²	87.3	57%	0.572	51%	0.511	S	S	*	.			trans	-66.5	102	175	-174.7	-3.7	0	0	0	108.4	T5 S9 Q10	T5-D7 PolarHBondContact O-N 3.31Å; D7-S9 PolarHBondContact O-N 3.21Å; D7-S9 VanDerWaalsContact O-N 3.17Å; D7-S9 VanDerWaalsContact OD1-CB 3.32Å; D7-S9 WeakPolarHBondContact OD1-CB 3.38Å; D7-S9 PolarHBondContact OD1-N 3.44Å; D7-S9 VanDerWaalsContact OD1-N 3.17Å; D7-S9 PolarHBondContact OD1-OG 2.74Å; D7-S9 PolarHBondContact OD2-OG 3.06Å; D7-Q10 PolarHBondContact O-N 3.02Å
8	H	50.7	Low	67.2	Low	122 Å²	122	89.9 Å²	89.9	57%	0.565	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-64.3	-16.1	-177.3	-65.2	-81.6	0	0	0	112.6	V6 Q10 R11	V6-H8 PolarHBondContact O-CD2 2.92Å; V6-H8 VanDerWaalsContact O-CD2 3.27Å; V6-H8 PolarHBondContact O-N 3.11Å; H8-Q10 PolarHBondContact O-N 3.02Å; H8-R11 WeakPolarHBondContact O-CB 3.43Å; H8-R11 PolarHBondContact O-N 2.89Å
9	S	51.7	Low	68.9	Low	90 Å²	90	86.9 Å²	86.9	63%	0.629	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-66.5	-21.2	-179.3	70.7	0	0	0	0	113.7	D7	D7-S9 PolarHBondContact O-N 3.21Å; D7-S9 VanDerWaalsContact O-N 3.17Å; D7-S9 VanDerWaalsContact OD1-CB 3.32Å; D7-S9 WeakPolarHBondContact OD1-CB 3.38Å; D7-S9 PolarHBondContact OD1-N 3.44Å; D7-S9 VanDerWaalsContact OD1-N 3.17Å; D7-S9 PolarHBondContact OD1-OG 2.74Å; D7-S9 PolarHBondContact OD2-OG 3.06Å
10	Q	65.5	Low	70.4	Confident	132 Å²	132	82.6 Å²	82.6	62%	0.617	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-88.4	-0.3	-179.5	-119.4	178.4	0.6	0	0	114.3	D7 H8 T92	D7-Q10 PolarHBondContact O-N 3.02Å; H8-Q10 PolarHBondContact O-N 3.02Å; Q10-T92 WeakPolarHBondContact O-CA 3.48Å; Q10-T92 PolarHBondContact O-N 3.44Å; Q10-T92 PolarHBondContact O-OG1 3.34Å
11	R	90.1	Very high	71.7	Confident	52 Å²	52	81.7 Å²	81.7	20%	0.196	47%	0.473	C	S	.	.	S	Bend	trans	-84.5	-39.9	-167.8	-163.1	63.9	177.1	-116.2	-12.9	114.2	H8 Y88 S93 T94 L232	H8-R11 WeakPolarHBondContact O-CB 3.43Å; H8-R11 PolarHBondContact O-N 2.89Å; R11-Y88 VanDerWaalsContact NH2-CE2 3.25Å; R11-S93 WeakPolarHBondContact CD-OG 3.49Å; R11-S93 PolarHBondContact NE-OG 3.06Å; R11-S93 PolarHBondContact O-N 2.84Å; R11-S93 VanDerWaalsContact O-N 3.12Å; R11-T94 PolarHBondContact O-N 3.28Å; R11-L232 HydrophobicContact CG-CD2 4.48Å
12	I	97.9	Very high	74.8	Confident	31 Å²	31	75.4 Å²	75.4	16%	0.159	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	120.3	177.2	-58.3	174.5	0	0	0	107.8	T94 Q96 I221	I12-T94 CarbonylContact C-O 3.56Å; I12-T94 WeakPolarHBondContact CA-O 3.19Å; I12-T94 HydrophobicContact CB-CG2 4.49Å; I12-T94 HydrophobicContact CG1-CG2 3.98Å; I12-T94 HydrophobicContact CG2-CG2 4.18Å; I12-Q96 HydrophobicContact CG2-CB 4.13Å; I12-I221 WeakPolarHBondContact CD1-O 3.42Å
13	C	98.4	Very high	78	Confident	21 Å²	21	69.4 Å²	69.4	14%	0.142	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	120.6	177.6	178.6	0	0	0	0	110.1	V15 T92 T94 Q96	C13-V15 PolarHBondContact O-N 3.05Å; C13-T92 HydrophobicContact CB-CG2 3.46Å; C13-T92 VanDerWaalsContact CB-CG2 3.46Å; C13-T94 PolarHBondContact N-O 3.44Å; C13-Q96 PolarHBondContact O-N 3.43Å
14	E	98.6	Very high	80.9	Confident	72 Å²	72	64.9 Å²	64.9	34%	0.336	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	123.7	170.2	-64.1	-56.4	121.9	0	0	110.4	N19 Q96 N98	E14-N19 PolarHBondContact O-ND2 3.5Å; E14-Q96 VanDerWaalsContact CD-NE2 3.33Å; E14-Q96 PolarHBondContact OE1-NE2 3.37Å; E14-Q96 PolarHBondContact OE2-NE2 2.92Å; E14-N98 PolarHBondContact OE2-ND2 3.35Å
15	V	98.8	Very high	83.8	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.1	178.1	-163.3	0	0	0	0	109.2	C13 N19 L20 E23 W95 Q96 F97 N98 I131	C13-V15 PolarHBondContact O-N 3.05Å; V15-N19 WeakPolarHBondContact CA-OD1 3.48Å; V15-L20 HydrophobicContact CG1-CB 4.23Å; V15-L20 HydrophobicContact CG1-CD1 3.86Å; V15-E23 HydrophobicContact CG1-CB 4.31Å; V15-E23 HydrophobicContact CG1-CG 4.48Å; V15-E23 HydrophobicContact CG2-CB 4.25Å; V15-E23 HydrophobicContact CG2-CG 4.23Å; V15-W95 HydrophobicContact CG2-CB 4.06Å; V15-W95 HydrophobicContact CG2-CG 4.26Å; V15-Q96 PolarHBondContact N-O 3.35Å; V15-F97 HydrophobicContact CB-CD1 3.77Å; V15-F97 HydrophobicContact CB-CE1 4.14Å; V15-F97 HydrophobicContact CB-CG 4.39Å; V15-F97 HydrophobicContact CG1-CD1 3.81Å; V15-F97 HydrophobicContact CG1-CE1 3.95Å; V15-F97 HydrophobicContact CG2-CD1 4.1Å; V15-F97 HydrophobicContact CG2-CE1 4.08Å; V15-N98 PolarHBondContact O-N 3.27Å; V15-N98 PolarHBondContact O-ND2 3.12Å; V15-I131 HydrophobicContact CB-CD1 4.26Å; V15-I131 HydrophobicContact CG1-CD1 4.04Å; V15-I131 WeakPolarHBondContact O-CD1 3.11Å
16	W	98.9	Very high	86.7	Confident	17 Å²	17	65.3 Å²	65.3	6%	0.064	33%	0.334	C	S	.	.			trans	-124.1	-179.4	177.3	-60.9	90	0	0	0	108.7	D18 N19 L20 N98 K125 H126 E129	W16-D18 PolarHBondContact O-N 2.79Å; W16-N19 PolarHBondContact N-OD1 3.25Å; W16-N19 PolarHBondContact O-N 2.86Å; W16-N19 PolarHBondContact O-OD1 3.44Å; W16-N19 VanDerWaalsContact O-OD1 3.09Å; W16-L20 WeakPolarHBondContact O-CB 3.39Å; W16-L20 PolarHBondContact O-N 3.03Å; W16-L20 VanDerWaalsContact O-N 3.12Å; W16-N98 HydrophobicContact CD2-CB 3.81Å; W16-N98 VanDerWaalsContact CE2-ND2 3.33Å; W16-N98 HydrophobicContact CE3-CB 3.55Å; W16-N98 HydrophobicContact CH2-CB 3.42Å; W16-N98 VanDerWaalsContact CH2-CB 3.42Å; W16-N98 HydrophobicContact CZ2-CB 3.69Å; W16-N98 WeakPolarHBondContact CZ2-ND2 3.17Å; W16-N98 HydrophobicContact CZ3-CB 3.35Å; W16-K125 HydrophobicContact CD2-CD 4.24Å; W16-K125 HydrophobicContact CD2-CG 4.48Å; W16-K125 VanDerWaalsContact CE2-NZ 3.27Å; W16-K125 HydrophobicContact CE3-CD 4.3Å; W16-K125 HydrophobicContact CE3-CG 4.07Å; W16-K125 HydrophobicContact CH2-CB 3.97Å; W16-K125 HydrophobicContact CH2-CD 3.68Å; W16-K125 HydrophobicContact CH2-CG 3.77Å; W16-K125 HydrophobicContact CZ2-CD 3.59Å; W16-K125 HydrophobicContact CZ2-CG 4.19Å; W16-K125 HydrophobicContact CZ3-CB 4.06Å; W16-K125 HydrophobicContact CZ3-CD 4.03Å; W16-K125 HydrophobicContact CZ3-CG 3.69Å; W16-K125 VanDerWaalsContact NE1-NZ 3.14Å; W16-H126 AromaticContact CH2-CD2 3.88Å; W16-H126 AromaticContact CH2-NE2 3.89Å; W16-E129 HydrophobicContact CE3-CB 4.1Å
17	A	98.8	Very high	89.4	Confident	52 Å²	52	60.7 Å²	60.7	43%	0.43	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-30.9	-177.9	0	0	0	0	0	113.6	E129	A17-E129 WeakPolarHBondContact CB-O 3.48Å; A17-E129 PolarHBondContact N-O 3.15Å
18	D	98.5	Very high	92	Very high	135 Å²	135	59.2 Å²	59.2	72%	0.722	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-30.9	-174.7	67.8	-24.2	0	0	0	114	W16	W16-D18 PolarHBondContact O-N 2.79Å
19	N	98.7	Very high	94.3	Very high	32 Å²	32	59 Å²	59	17%	0.171	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-1.2	-178	74.7	-17.8	0	0	0	114.5	E14 V15 W16 D21 E22 E23	E14-N19 PolarHBondContact O-ND2 3.5Å; V15-N19 WeakPolarHBondContact CA-OD1 3.48Å; W16-N19 PolarHBondContact N-OD1 3.25Å; W16-N19 PolarHBondContact O-N 2.86Å; W16-N19 PolarHBondContact O-OD1 3.44Å; W16-N19 VanDerWaalsContact O-OD1 3.09Å; N19-D21 VanDerWaalsContact C-N 3.34Å; N19-D21 PolarHBondContact O-N 2.95Å; N19-E22 WeakPolarHBondContact O-CB 3.27Å; N19-E22 PolarHBondContact O-N 3.43Å; N19-E23 PolarHBondContact O-N 3.17Å
20	L	98.8	Very high	96.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-50.4	-49.9	-178.7	179.4	66.9	0	0	0	113.2	V15 W16 E22 E23 L24 F97 I131 Y135 L136 L139	V15-L20 HydrophobicContact CG1-CB 4.23Å; V15-L20 HydrophobicContact CG1-CD1 3.86Å; W16-L20 WeakPolarHBondContact O-CB 3.39Å; W16-L20 PolarHBondContact O-N 3.03Å; W16-L20 VanDerWaalsContact O-N 3.12Å; L20-E22 VanDerWaalsContact C-N 3.28Å; L20-E22 PolarHBondContact O-N 3.27Å; L20-E23 PolarHBondContact O-N 3.24Å; L20-L24 HydrophobicContact CD1-CD2 3.51Å; L20-L24 HydrophobicContact CD1-CG 4.5Å; L20-L24 HydrophobicContact CG-CD2 4.26Å; L20-L24 WeakPolarHBondContact O-CB 3.35Å; L20-L24 PolarHBondContact O-N 3.18Å; L20-F97 HydrophobicContact CD1-CD1 3.94Å; L20-F97 HydrophobicContact CD1-CE1 3.88Å; L20-I131 HydrophobicContact CD1-CD1 4.03Å; L20-I131 HydrophobicContact CD2-CG2 3.77Å; L20-Y135 HydrophobicContact CD2-CD1 3.56Å; L20-Y135 HydrophobicContact CD2-CE1 3.89Å; L20-L136 HydrophobicContact CD1-CD1 3.79Å; L20-L139 HydrophobicContact CD2-CD1 3.82Å; L20-L139 HydrophobicContact CG-CD1 3.86Å
21	D	98.7	Very high	98.1	Very high	64 Å²	64	50.2 Å²	50.2	34%	0.342	24%	0.243	S	C	.	.	H	α-helix	trans	-62.7	-33.6	-179.4	-84.2	-71.4	0	0	0	113.5	N19 K25 Y135	N19-D21 VanDerWaalsContact C-N 3.34Å; N19-D21 PolarHBondContact O-N 2.95Å; D21-K25 WeakPolarHBondContact O-CD 3.47Å; D21-K25 VanDerWaalsContact O-CG 3.27Å; D21-K25 WeakPolarHBondContact O-CG 3.49Å; D21-K25 PolarHBondContact O-N 3.18Å; D21-Y135 VanDerWaalsContact CG-OH 3.25Å; D21-Y135 PolarHBondContact OD1-OH 3.39Å; D21-Y135 VanDerWaalsContact OD1-OH 3.06Å; D21-Y135 PolarHBondContact OD2-OH 2.66Å
22	E	98.5	Very high	98.4	Very high	104 Å²	104	57 Å²	57	49%	0.486	27%	0.268	S	S	.	.	H	α-helix	trans	-71	-48.2	177.6	-175.5	176.3	169	0	0	110.7	N19 L20 K25 R26	N19-E22 WeakPolarHBondContact O-CB 3.27Å; N19-E22 PolarHBondContact O-N 3.43Å; L20-E22 VanDerWaalsContact C-N 3.28Å; L20-E22 PolarHBondContact O-N 3.27Å; E22-K25 WeakPolarHBondContact O-CB 3.41Å; E22-K25 PolarHBondContact O-N 3.04Å; E22-R26 PolarHBondContact O-N 3.47Å; E22-R26 IonicContact OE1-CZ 2.68Å; E22-R26 IonicContact OE1-NE 2.82Å; E22-R26 IonicContact OE1-NH2 2.7Å; E22-R26 PolarHBondContact OE1-NH2 2.97Å
23	E	98.6	Very high	98.5	Very high	7 Å²	7	63.2 Å²	63.2	3%	0.033	29%	0.294	C	S	.	.	H	α-helix	trans	-70.3	-36	-176.9	-64.3	-49.6	128.4	0	0	112	V15 N19 L20 K25 R26 I27 W95	V15-E23 HydrophobicContact CG1-CB 4.31Å; V15-E23 HydrophobicContact CG1-CG 4.48Å; V15-E23 HydrophobicContact CG2-CB 4.25Å; V15-E23 HydrophobicContact CG2-CG 4.23Å; N19-E23 PolarHBondContact O-N 3.17Å; L20-E23 PolarHBondContact O-N 3.24Å; E23-K25 VanDerWaalsContact C-N 3.26Å; E23-K25 PolarHBondContact O-N 3.21Å; E23-R26 WeakPolarHBondContact O-CA 3.49Å; E23-R26 WeakPolarHBondContact O-CB 3.33Å; E23-R26 PolarHBondContact O-N 3.16Å; E23-R26 IonicContact OE1-CZ 3.87Å; E23-R26 IonicContact OE1-NE 2.79Å; E23-R26 IonicContact OE1-NH1 3.08Å; E23-R26 PolarHBondContact OE1-NH1 3.18Å; E23-R26 IonicContact OE1-NH2 3.61Å; E23-R26 WeakPolarHBondContact OE2-CD 3.42Å; E23-R26 IonicContact OE2-CZ 3.56Å; E23-R26 IonicContact OE2-NE 3.15Å; E23-R26 IonicContact OE2-NH1 3.81Å; E23-R26 PolarHBondContact OE2-NH1 3.37Å; E23-R26 VanDerWaalsContact OE2-NH1 3.15Å; E23-I27 WeakPolarHBondContact O-CG1 3.48Å; E23-I27 PolarHBondContact O-N 2.66Å; E23-W95 PolarHBondContact OE2-NE1 3Å
24	L	98.3	Very high	98.5	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-62.6	-32.7	173.1	-96.9	-68.9	0	0	0	112.5	L20 R26 I27 R28 F97 L136 L139 L140	L20-L24 HydrophobicContact CD1-CD2 3.51Å; L20-L24 HydrophobicContact CD1-CG 4.5Å; L20-L24 HydrophobicContact CG-CD2 4.26Å; L20-L24 WeakPolarHBondContact O-CB 3.35Å; L20-L24 PolarHBondContact O-N 3.18Å; L24-R26 VanDerWaalsContact C-N 3.3Å; L24-R26 PolarHBondContact O-N 3.27Å; L24-I27 HydrophobicContact CD2-CD1 4.37Å; L24-I27 PolarHBondContact O-N 2.99Å; L24-R28 WeakPolarHBondContact O-CB 3.22Å; L24-R28 VanDerWaalsContact O-CG 3.22Å; L24-R28 WeakPolarHBondContact O-CG 3.43Å; L24-R28 PolarHBondContact O-N 2.94Å; L24-F97 HydrophobicContact CD2-CE1 3.65Å; L24-F97 HydrophobicContact CD2-CZ 4.13Å; L24-L136 HydrophobicContact CD2-CD1 4.2Å; L24-L139 HydrophobicContact CD1-CB 4.3Å; L24-L139 HydrophobicContact CG-CB 4.01Å; L24-L139 HydrophobicContact CG-CD1 4.23Å; L24-L140 HydrophobicContact CD1-CD1 4.47Å
25	K	98.3	Very high	98.5	Very high	127 Å²	127	62.9 Å²	62.9	55%	0.552	29%	0.291	S	S	*	.	H	α-helix	trans	-64.3	-37	172.6	-71.9	164.5	-170.9	163.7	0	111.6	D21 E22 E23	D21-K25 WeakPolarHBondContact O-CD 3.47Å; D21-K25 VanDerWaalsContact O-CG 3.27Å; D21-K25 WeakPolarHBondContact O-CG 3.49Å; D21-K25 PolarHBondContact O-N 3.18Å; E22-K25 WeakPolarHBondContact O-CB 3.41Å; E22-K25 PolarHBondContact O-N 3.04Å; E23-K25 VanDerWaalsContact C-N 3.26Å; E23-K25 PolarHBondContact O-N 3.21Å
26	R	98.3	Very high	98.5	Very high	108 Å²	108	63.1 Å²	63.1	41%	0.408	29%	0.292	S	S	.	.	H	α-helix	trans	-70.2	-46.3	176.5	-62.9	176.4	-174.3	175.8	1	111	E22 E23 L24 R28 Q29 V30 W95	E22-R26 PolarHBondContact O-N 3.47Å; E22-R26 IonicContact OE1-CZ 2.68Å; E22-R26 IonicContact OE1-NE 2.82Å; E22-R26 IonicContact OE1-NH2 2.7Å; E22-R26 PolarHBondContact OE1-NH2 2.97Å; E23-R26 WeakPolarHBondContact O-CA 3.49Å; E23-R26 WeakPolarHBondContact O-CB 3.33Å; E23-R26 PolarHBondContact O-N 3.16Å; E23-R26 IonicContact OE1-CZ 3.87Å; E23-R26 IonicContact OE1-NE 2.79Å; E23-R26 IonicContact OE1-NH1 3.08Å; E23-R26 PolarHBondContact OE1-NH1 3.18Å; E23-R26 IonicContact OE1-NH2 3.61Å; E23-R26 WeakPolarHBondContact OE2-CD 3.42Å; E23-R26 IonicContact OE2-CZ 3.56Å; E23-R26 IonicContact OE2-NE 3.15Å; E23-R26 IonicContact OE2-NH1 3.81Å; E23-R26 PolarHBondContact OE2-NH1 3.37Å; E23-R26 VanDerWaalsContact OE2-NH1 3.15Å; L24-R26 VanDerWaalsContact C-N 3.3Å; L24-R26 PolarHBondContact O-N 3.27Å; R26-R28 VanDerWaalsContact C-N 3.29Å; R26-R28 PolarHBondContact O-N 3.04Å; R26-Q29 WeakPolarHBondContact O-CA 3.43Å; R26-Q29 WeakPolarHBondContact O-CB 3.4Å; R26-Q29 PolarHBondContact O-N 3.01Å; R26-V30 WeakPolarHBondContact O-CG2 3.32Å; R26-V30 PolarHBondContact O-N 3.48Å; R26-W95 HydrophobicContact CB-CZ2 4.43Å
27	I	98.6	Very high	98.5	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-55.8	-44	176.5	-71.5	171.6	0	0	0	111.4	E23 L24 Q29 V30 I31 F81 W95 F97 V145	E23-I27 WeakPolarHBondContact O-CG1 3.48Å; E23-I27 PolarHBondContact O-N 2.66Å; L24-I27 HydrophobicContact CD2-CD1 4.37Å; L24-I27 PolarHBondContact O-N 2.99Å; I27-Q29 PolarHBondContact O-N 3.32Å; I27-Q29 VanDerWaalsContact O-N 3.11Å; I27-V30 PolarHBondContact O-N 2.97Å; I27-I31 WeakPolarHBondContact O-CG2 3.07Å; I27-I31 PolarHBondContact O-N 2.88Å; I27-F81 HydrophobicContact CB-CZ 4.47Å; I27-F81 HydrophobicContact CD1-CE2 4.37Å; I27-F81 HydrophobicContact CD1-CZ 4.5Å; I27-F81 HydrophobicContact CG1-CE2 4.17Å; I27-F81 HydrophobicContact CG1-CZ 4.27Å; I27-F81 HydrophobicContact CG2-CE1 4.02Å; I27-F81 HydrophobicContact CG2-CE2 4.27Å; I27-F81 HydrophobicContact CG2-CZ 3.53Å; I27-W95 HydrophobicContact CD1-CB 4.26Å; I27-W95 HydrophobicContact CD1-CD2 3.85Å; I27-W95 HydrophobicContact CD1-CE3 4.35Å; I27-W95 HydrophobicContact CD1-CG 3.8Å; I27-W95 HydrophobicContact CG1-CD2 3.78Å; I27-W95 HydrophobicContact CG1-CE3 4.06Å; I27-W95 HydrophobicContact CG1-CG 4.25Å; I27-W95 HydrophobicContact CG1-CH2 4.41Å; I27-W95 HydrophobicContact CG1-CZ2 4.13Å; I27-W95 HydrophobicContact CG1-CZ3 4.37Å; I27-F97 HydrophobicContact CD1-CE1 4.48Å; I27-F97 HydrophobicContact CD1-CE2 4.44Å; I27-F97 HydrophobicContact CD1-CZ 3.61Å; I27-V145 HydrophobicContact CG2-CG2 3.73Å
28	R	98.5	Very high	98.5	Very high	76 Å²	76	59.8 Å²	59.8	29%	0.287	27%	0.268	S	S	.	.	H	α-helix	trans	-56.9	-25.5	175	-75.8	170.5	-174.5	171.3	3	113.9	L24 R26 L139	L24-R28 WeakPolarHBondContact O-CB 3.22Å; L24-R28 VanDerWaalsContact O-CG 3.22Å; L24-R28 WeakPolarHBondContact O-CG 3.43Å; L24-R28 PolarHBondContact O-N 2.94Å; R26-R28 VanDerWaalsContact C-N 3.29Å; R26-R28 PolarHBondContact O-N 3.04Å; R28-L139 PolarHBondContact NH2-O 3.48Å
29	Q	98.1	Very high	98.5	Very high	119 Å²	119	53.4 Å²	53.4	56%	0.556	23%	0.234	S	C	*	.	H	α-helix	trans	-86.2	-41	173	-59.9	-53.3	-44.5	0	0	112	R26 I27 R32	R26-Q29 WeakPolarHBondContact O-CA 3.43Å; R26-Q29 WeakPolarHBondContact O-CB 3.4Å; R26-Q29 PolarHBondContact O-N 3.01Å; I27-Q29 PolarHBondContact O-N 3.32Å; I27-Q29 VanDerWaalsContact O-N 3.11Å; Q29-R32 WeakPolarHBondContact O-CB 3.39Å; Q29-R32 PolarHBondContact O-N 3.48Å
30	V	98.4	Very high	98.5	Very high	23 Å²	23	52.4 Å²	52.4	14%	0.139	23%	0.229	C	C	.	.	H	α-helix	trans	-63	-46.3	-177.9	170.4	0	0	0	0	111.3	R26 I27 R32 K33 Y34 F81 P89 W95	R26-V30 WeakPolarHBondContact O-CG2 3.32Å; R26-V30 PolarHBondContact O-N 3.48Å; I27-V30 PolarHBondContact O-N 2.97Å; V30-R32 PolarHBondContact O-N 2.91Å; V30-K33 PolarHBondContact O-N 2.93Å; V30-Y34 HydrophobicContact CG1-CD2 3.99Å; V30-Y34 HydrophobicContact CG1-CG 4.27Å; V30-Y34 PolarHBondContact O-N 3.45Å; V30-F81 HydrophobicContact CG1-CB 3.57Å; V30-F81 HydrophobicContact CG1-CD1 4.02Å; V30-F81 HydrophobicContact CG1-CD2 4.49Å; V30-F81 HydrophobicContact CG1-CG 3.78Å; V30-P89 HydrophobicContact CG1-CB 4.19Å; V30-P89 HydrophobicContact CG1-CG 4.02Å; V30-P89 HydrophobicContact CG2-CB 4.38Å; V30-W95 HydrophobicContact CG2-CH2 4.06Å
31	I	98.4	Very high	98.5	Very high	14 Å²	14	52.7 Å²	52.7	7%	0.072	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.6	-176.3	-169.9	51.9	0	0	0	113.6	I27 K33 I37 F81 V145 V151	I27-I31 WeakPolarHBondContact O-CG2 3.07Å; I27-I31 PolarHBondContact O-N 2.88Å; I31-K33 VanDerWaalsContact C-N 3.27Å; I31-K33 PolarHBondContact O-N 3.42Å; I31-I37 HydrophobicContact CD1-CD1 3.67Å; I31-I37 HydrophobicContact CD1-CG1 4.05Å; I31-F81 HydrophobicContact CB-CE1 4.38Å; I31-F81 HydrophobicContact CD1-CD1 4.23Å; I31-F81 HydrophobicContact CD1-CE1 4.06Å; I31-V145 HydrophobicContact CB-CG2 4.35Å; I31-V145 HydrophobicContact CG1-CG2 4.11Å; I31-V151 HydrophobicContact CD1-CG1 4.23Å; I31-V151 HydrophobicContact CD1-CG2 3.98Å; I31-V151 HydrophobicContact CG1-CG2 4.33Å
32	R	97.4	Very high	98.5	Very high	193 Å²	193	50.9 Å²	50.9	73%	0.728	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-22.2	178.5	-57.5	179.8	67.3	-177.5	3.5	113.7	Q29 V30	Q29-R32 WeakPolarHBondContact O-CB 3.39Å; Q29-R32 PolarHBondContact O-N 3.48Å; V30-R32 PolarHBondContact O-N 2.91Å
33	K	98.1	Very high	98.5	Very high	163 Å²	163	47.2 Å²	47.2	71%	0.709	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.9	-27.8	-178.9	-66.3	-174	179.9	-178.1	0	113	V30 I31	V30-K33 PolarHBondContact O-N 2.93Å; I31-K33 VanDerWaalsContact C-N 3.27Å; I31-K33 PolarHBondContact O-N 3.42Å
34	Y	98.7	Very high	98.4	Very high	39 Å²	39	46.9 Å²	46.9	15%	0.153	20%	0.2	C	C	.	.			trans	-116.6	82.9	-177.5	-60.5	-88.2	0	0	0	107.6	V30 M82 N83 E87 Y88 P89	V30-Y34 HydrophobicContact CG1-CD2 3.99Å; V30-Y34 HydrophobicContact CG1-CG 4.27Å; V30-Y34 PolarHBondContact O-N 3.45Å; Y34-M82 CarbonylContact C-O 2.99Å; Y34-M82 WeakPolarHBondContact CA-O 3.45Å; Y34-M82 WeakPolarHBondContact CB-O 3.38Å; Y34-N83 HydrophobicContact CD1-CB 3.88Å; Y34-N83 HydrophobicContact CE1-CB 4.29Å; Y34-E87 WeakPolarHBondContact CD1-O 3.4Å; Y34-Y88 WeakPolarHBondContact CE1-O 3.41Å; Y34-Y88 PolarHBondContact OH-O 3.22Å; Y34-P89 HydrophobicContact CD2-CB 3.88Å; Y34-P89 HydrophobicContact CE1-CB 4.38Å; Y34-P89 VanDerWaalsContact CE1-N 3.31Å; Y34-P89 HydrophobicContact CE2-CB 3.68Å; Y34-P89 HydrophobicContact CG-CB 4.32Å
35	N	98.5	Very high	98.3	Very high	46 Å²	46	46.8 Å²	46.8	25%	0.246	20%	0.2	C	C	.	.			trans	-92.8	0.8	-170.8	65.4	-40.4	0	0	0	114.2	M82 G150 V151 K152	N35-M82 PolarHBondContact N-O 3.44Å; N35-M82 VanDerWaalsContact N-O 3.13Å; N35-G150 PolarHBondContact ND2-O 3.44Å; N35-V151 WeakPolarHBondContact O-CA 3.47Å; N35-K152 PolarHBondContact O-N 2.83Å
36	Y	98.9	Very high	98.1	Very high	5 Å²	5	42.7 Å²	42.7	2%	0.02	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123.8	167.6	-81.4	-104.6	0	0	0	109.2	F81 M82 E84 K152 L154 F238 F239	Y36-F81 CarbonylContact O-C 3.53Å; Y36-F81 WeakPolarHBondContact O-CA 3.11Å; Y36-M82 WeakPolarHBondContact CB-O 3.32Å; Y36-M82 PolarHBondContact N-O 3.43Å; Y36-M82 PolarHBondContact O-N 3.12Å; Y36-E84 HydrophobicContact CE2-CB 4.11Å; Y36-E84 VanDerWaalsContact CE2-OE2 3.27Å; Y36-E84 WeakPolarHBondContact CE2-OE2 3.45Å; Y36-E84 VanDerWaalsContact OH-CD 3.26Å; Y36-E84 PolarHBondContact OH-OE1 2.93Å; Y36-E84 PolarHBondContact OH-OE2 2.88Å; Y36-K152 CarbonylContact C-O 3.59Å; Y36-K152 WeakPolarHBondContact CA-O 3.31Å; Y36-K152 HydrophobicContact CD1-CB 4Å; Y36-K152 HydrophobicContact CD1-CD 4.36Å; Y36-K152 HydrophobicContact CD2-CD 4.27Å; Y36-K152 HydrophobicContact CE1-CB 4.04Å; Y36-K152 HydrophobicContact CE1-CD 3.68Å; Y36-K152 HydrophobicContact CE2-CD 3.52Å; Y36-K152 HydrophobicContact CG-CB 4.3Å; Y36-K152 WeakPolarHBondContact OH-CD 3.08Å; Y36-K152 PolarHBondContact OH-NZ 3.26Å; Y36-L154 HydrophobicContact CD1-CD1 3.93Å; Y36-L154 HydrophobicContact CD1-CD2 3.92Å; Y36-L154 HydrophobicContact CD1-CG 4.09Å; Y36-L154 HydrophobicContact CE1-CD2 4.26Å; Y36-F238 HydrophobicContact CD1-CE1 4.29Å; Y36-F238 AromaticContact CE1-CE1 3.87Å; Y36-F238 HydrophobicContact CE1-CE1 3.87Å; Y36-F238 HydrophobicContact CE1-CZ 4.28Å; Y36-F239 HydrophobicContact CD1-CE2 4.37Å; Y36-F239 AromaticContact CD1-CZ 3.77Å; Y36-F239 HydrophobicContact CD1-CZ 3.77Å; Y36-F239 HydrophobicContact CD2-CZ 4.43Å; Y36-F239 HydrophobicContact CE1-CZ 4.13Å; Y36-F239 AromaticContact CG-CZ 3.9Å; Y36-F239 HydrophobicContact CG-CZ 3.9Å
37	I	98.9	Very high	97.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	108.2	-179	-51.5	-179	0	0	0	108	I31 L79 T80 F81 V145 V151 K152 W153 L154	I31-I37 HydrophobicContact CD1-CD1 3.67Å; I31-I37 HydrophobicContact CD1-CG1 4.05Å; I37-L79 HydrophobicContact CG2-CB 4.33Å; I37-L79 HydrophobicContact CG2-CD2 3.9Å; I37-T80 CarbonylContact C-O 3.55Å; I37-T80 WeakPolarHBondContact CA-O 3.42Å; I37-F81 HydrophobicContact CD1-CD1 4.38Å; I37-F81 HydrophobicContact CD1-CE1 3.82Å; I37-F81 HydrophobicContact CG1-CD1 4Å; I37-F81 HydrophobicContact CG1-CE1 3.92Å; I37-V145 HydrophobicContact CD1-CB 4.31Å; I37-V145 HydrophobicContact CD1-CG1 3.58Å; I37-V145 HydrophobicContact CD1-CG2 4.44Å; I37-V151 HydrophobicContact CD1-CG1 3.55Å; I37-V151 HydrophobicContact CG1-CG1 3.96Å; I37-K152 PolarHBondContact N-O 2.91Å; I37-W153 HydrophobicContact CB-CD2 4.32Å; I37-W153 HydrophobicContact CB-CE3 4.42Å; I37-W153 HydrophobicContact CD1-CZ2 3.97Å; I37-W153 HydrophobicContact CG2-CE3 4.18Å; I37-W153 HydrophobicContact CG2-CH2 4.24Å; I37-W153 HydrophobicContact CG2-CZ3 4.04Å; I37-W153 CarbonylContact O-C 3.56Å; I37-W153 WeakPolarHBondContact O-CA 3.4Å; I37-L154 PolarHBondContact O-N 2.83Å
38	A	98.9	Very high	97.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	138.4	166.3	0	0	0	0	0	110.2	L79 T80 M82 L154 S231 T234	A38-L79 WeakPolarHBondContact O-CA 3.37Å; A38-T80 PolarHBondContact N-O 2.8Å; A38-T80 PolarHBondContact O-N 2.89Å; A38-M82 HydrophobicContact CB-CE 3.57Å; A38-L154 CarbonylContact C-O 3.53Å; A38-L154 VanDerWaalsContact CA-O 3.28Å; A38-L154 WeakPolarHBondContact CA-O 3.34Å; A38-L154 HydrophobicContact CB-CB 4.01Å; A38-L154 HydrophobicContact CB-CD1 4.38Å; A38-S231 WeakPolarHBondContact CB-O 3.47Å; A38-T234 HydrophobicContact CB-CG2 4.38Å
39	M	98.8	Very high	97.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	148.9	-172.2	-178.6	-86.8	-57.7	0	0	111.6	T41 L77 G78 L79 W153 L154 D161 F162 L165	M39-T41 HydrophobicContact SD-CG2 3.79Å; M39-L77 HydrophobicContact CG-CD1 3.49Å; M39-L77 VanDerWaalsContact CG-CD1 3.49Å; M39-L77 HydrophobicContact SD-CD1 3.9Å; M39-G78 VanDerWaalsContact CA-O 3.27Å; M39-G78 WeakPolarHBondContact CA-O 3.2Å; M39-L79 HydrophobicContact CB-CD2 3.83Å; M39-L79 HydrophobicContact CG-CD2 3.57Å; M39-W153 HydrophobicContact CB-CE3 3.96Å; M39-W153 HydrophobicContact CB-CZ3 3.86Å; M39-W153 HydrophobicContact CG-CE3 4.44Å; M39-W153 HydrophobicContact CG-CZ3 3.95Å; M39-L154 PolarHBondContact N-O 3.47Å; M39-D161 HydrophobicContact CE-CB 3.59Å; M39-D161 HydrophobicContact SD-CB 3.69Å; M39-F162 HydrophobicContact CE-CD1 4.26Å; M39-F162 HydrophobicContact CE-CD2 4.4Å; M39-F162 HydrophobicContact CE-CE1 3.97Å; M39-F162 HydrophobicContact CE-CE2 4.12Å; M39-F162 HydrophobicContact CE-CG 4.46Å; M39-F162 HydrophobicContact CE-CZ 3.9Å; M39-L165 HydrophobicContact CE-CD1 3.76Å; M39-L165 HydrophobicContact CG-CD1 4.42Å; M39-L165 HydrophobicContact SD-CD1 4.16Å
40	D	98.9	Very high	96.8	Very high	12 Å²	12	42.9 Å²	42.9	6%	0.064	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	158.7	170.9	-171.1	60	0	0	0	109.6	G78 A227 D230	D40-G78 PolarHBondContact N-O 3.27Å; D40-G78 PolarHBondContact O-N 3.49Å; D40-A227 WeakPolarHBondContact O-CB 3.35Å; D40-D230 HydrophobicContact CB-CB 4.03Å; D40-D230 WeakPolarHBondContact OD2-CB 3.4Å
41	T	98.8	Very high	96.2	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149.4	176.4	72.7	0	0	0	0	113.1	M39 I74 Q76 L77 D161	M39-T41 HydrophobicContact SD-CG2 3.79Å; T41-I74 HydrophobicContact CG2-CD1 3.84Å; T41-Q76 WeakPolarHBondContact CA-O 3.33Å; T41-Q76 WeakPolarHBondContact CB-O 3.49Å; T41-L77 HydrophobicContact CG2-CD1 3.77Å; T41-D161 HydrophobicContact CG2-CB 3.98Å; T41-D161 PolarHBondContact N-OD1 2.82Å; T41-D161 PolarHBondContact OG1-OD1 2.83Å
42	E	98.7	Very high	95.5	Very high	27 Å²	27	52 Å²	52	13%	0.126	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135.6	169.1	-61.6	-64.3	174.7	0	0	110.2	I75 Q76 L116 H225 Q226 A227	E42-I75 WeakPolarHBondContact O-CA 3.43Å; E42-I75 WeakPolarHBondContact O-CB 3.34Å; E42-I75 PolarHBondContact O-N 2.81Å; E42-Q76 HydrophobicContact CB-CB 4.05Å; E42-Q76 HydrophobicContact CG-CB 4.32Å; E42-Q76 PolarHBondContact N-O 2.79Å; E42-Q76 PolarHBondContact O-N 3.05Å; E42-L116 HydrophobicContact CB-CD2 4Å; E42-L116 HydrophobicContact CG-CD2 4.04Å; E42-L116 WeakPolarHBondContact OE2-CD2 3.36Å; E42-H225 WeakPolarHBondContact OE1-CA 3.36Å; E42-Q226 PolarHBondContact OE1-N 3.09Å; E42-A227 HydrophobicContact CG-CB 4.15Å
43	F	98.4	Very high	94.8	Very high	26 Å²	26	52.4 Å²	52.4	11%	0.114	27%	0.266	C	S	.	.			trans	-153	166	-176.8	63.7	-93.8	0	0	0	110.5	G45 Y160 Y164 Y277	F43-G45 WeakPolarHBondContact CE2-O 2.85Å; F43-G45 PolarHBondContact O-N 2.8Å; F43-Y160 HydrophobicContact CE1-CG 4.45Å; F43-Y160 AromaticContact CE2-CD1 3.76Å; F43-Y160 HydrophobicContact CE2-CD1 3.76Å; F43-Y160 HydrophobicContact CE2-CE1 4.35Å; F43-Y160 HydrophobicContact CE2-CG 4.37Å; F43-Y160 AromaticContact CZ-CD1 3.63Å; F43-Y160 HydrophobicContact CZ-CD1 3.63Å; F43-Y160 AromaticContact CZ-CG 3.77Å; F43-Y160 HydrophobicContact CZ-CG 3.77Å; F43-Y164 HydrophobicContact CB-CD2 4.37Å; F43-Y164 HydrophobicContact CB-CE1 4.48Å; F43-Y164 HydrophobicContact CB-CE2 3.56Å; F43-Y164 WeakPolarHBondContact CB-OH 3.48Å; F43-Y164 HydrophobicContact CD1-CD2 4.03Å; F43-Y164 AromaticContact CD1-CE2 3.51Å; F43-Y164 HydrophobicContact CD1-CE2 3.51Å; F43-Y164 AromaticContact CD2-CE2 3.64Å; F43-Y164 HydrophobicContact CD2-CE2 3.64Å; F43-Y164 AromaticContact CD2-CZ 3.93Å; F43-Y164 WeakPolarHBondContact CD2-OH 3.38Å; F43-Y164 HydrophobicContact CE1-CE2 4.05Å; F43-Y164 HydrophobicContact CE2-CE2 4.16Å; F43-Y164 HydrophobicContact CG-CD2 4.19Å; F43-Y164 AromaticContact CG-CE2 3.28Å; F43-Y164 HydrophobicContact CG-CE2 3.28Å; F43-Y164 AromaticContact CG-CZ 3.75Å; F43-Y164 HydrophobicContact CZ-CE2 4.35Å; F43-Y277 HydrophobicContact CE2-CD2 4.42Å; F43-Y277 AromaticContact CE2-CE2 3.81Å; F43-Y277 HydrophobicContact CE2-CE2 3.81Å; F43-Y277 HydrophobicContact CZ-CD2 4.18Å; F43-Y277 AromaticContact CZ-CE2 3.79Å; F43-Y277 HydrophobicContact CZ-CE2 3.79Å
44	P	97.5	Very high	94.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.246	C	C	.	.			trans	-83.3	39	-167	34.6	-37.3	0	0	0	113.6	L72 K73 I75 F101 Y108 A109 I113	P44-L72 HydrophobicContact CG-CB 4.05Å; P44-L72 HydrophobicContact CG-CD1 4.26Å; P44-L72 HydrophobicContact CG-CD2 4.19Å; P44-L72 HydrophobicContact CG-CG 4.4Å; P44-K73 WeakPolarHBondContact CD-O 3.49Å; P44-I75 HydrophobicContact CB-CD1 4.16Å; P44-F101 HydrophobicContact CB-CZ 4.1Å; P44-F101 HydrophobicContact CG-CE2 4.02Å; P44-F101 HydrophobicContact CG-CZ 4.03Å; P44-Y108 VanDerWaalsContact CB-CB 3.44Å; P44-A109 WeakPolarHBondContact O-CB 3.43Å; P44-A109 PolarHBondContact O-N 2.82Å; P44-I113 HydrophobicContact CB-CD1 4.14Å
45	G	94.4	Very high	93.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.273	C	S	.	.			trans	70.5	-142.9	175.3	0	0	0	0	0	114.9	F43 L72 S112	F43-G45 WeakPolarHBondContact CE2-O 2.85Å; F43-G45 PolarHBondContact O-N 2.8Å; G45-L72 WeakPolarHBondContact O-CD1 3.43Å; G45-S112 WeakPolarHBondContact CA-OG 3.41Å
46	V	94	Very high	92.3	Very high	41 Å²	41	55.9 Å²	55.9	25%	0.248	28%	0.282	C	S	.	.			trans	-129	124.8	-175.4	167	0	0	0	0	108.8	L64 N68 Y160 Y277	V46-L64 HydrophobicContact CG1-CD1 4.38Å; V46-N68 WeakPolarHBondContact CA-OD1 2.9Å; V46-N68 HydrophobicContact CG2-CB 4.46Å; V46-Y160 HydrophobicContact CG2-CE1 3.92Å; V46-Y277 HydrophobicContact CG2-CD1 4.28Å; V46-Y277 HydrophobicContact CG2-CD2 3.63Å; V46-Y277 HydrophobicContact CG2-CE1 4.3Å; V46-Y277 HydrophobicContact CG2-CE2 3.65Å; V46-Y277 HydrophobicContact CG2-CG 3.97Å
47	V	93.5	Very high	91.5	Very high	63 Å²	63	60.7 Å²	60.7	38%	0.382	31%	0.308	S	S	.	.			trans	-118.1	-15.3	-175.6	-58.3	0	0	0	0	113.4	N68 L71 L72 Y108 A109	V47-N68 PolarHBondContact N-OD1 3.13Å; V47-L71 HydrophobicContact CG2-CD2 3.57Å; V47-L72 HydrophobicContact CG1-CD1 4.45Å; V47-L72 HydrophobicContact CG1-CD2 4.25Å; V47-L72 HydrophobicContact CG2-CD1 4.28Å; V47-L72 HydrophobicContact CG2-CD2 3.85Å; V47-L72 HydrophobicContact CG2-CG 4.32Å; V47-Y108 VanDerWaalsContact CG1-C 3.41Å; V47-A109 HydrophobicContact CG1-CB 4.07Å
48	A	92.7	Very high	90.5	Very high	25 Å²	25	61.8 Å²	61.8	21%	0.207	32%	0.317	C	S	.	.			trans	-131.6	152.9	-175	0	0	0	0	0	111.9	L64 N68 L71	A48-L64 WeakPolarHBondContact O-CD1 3.43Å; A48-N68 PolarHBondContact N-OD1 2.82Å; A48-N68 PolarHBondContact O-ND2 2.99Å; A48-N68 PolarHBondContact O-OD1 3.48Å; A48-L71 HydrophobicContact CB-CD2 4.27Å
49	R	92.4	Very high	89.8	Confident	194 Å²	194	62.8 Å²	62.8	73%	0.732	32%	0.322	S	S	*	.			trans	-119	136.6	168	-67.4	-174.3	179.6	-162.9	-1.8	109	L64	R49-L64 HydrophobicContact CB-CD1 4.5Å; R49-L64 HydrophobicContact CG-CD1 4.17Å
50	P	88.9	Confident	89.4	Confident	25 Å²	25	65.5 Å²	65.5	16%	0.162	33%	0.333	C	S	.	.			trans	-67.4	138.8	178.6	30.4	-36.1	0	0	0	109.6	F54 Y60 Q63 L64	P50-F54 HydrophobicContact CB-CE1 4.05Å; P50-F54 HydrophobicContact CB-CZ 3.79Å; P50-F54 HydrophobicContact CG-CE1 3.99Å; P50-F54 HydrophobicContact CG-CZ 3.68Å; P50-Y60 HydrophobicContact CG-CD2 4.31Å; P50-Y60 HydrophobicContact CG-CE2 3.93Å; P50-Q63 HydrophobicContact CB-CB 4.15Å; P50-Q63 HydrophobicContact CG-CB 3.99Å; P50-L64 HydrophobicContact CG-CB 4.4Å
51	I	85.7	Confident	89.1	Confident	176 Å²	176	65.3 Å²	65.3	90%	0.903	33%	0.332	S	S	*	.			trans	-98.8	126.7	176.7	-59.3	174.8	0	0	0	108
52	G	84.3	Confident	89	Confident	53 Å²	53	65 Å²	65	55%	0.546	33%	0.33	S	S	.	.	S	Bend	trans	154.9	-176	176.4	0	0	0	0	0	113.6	F54	G52-F54 WeakPolarHBondContact O-CE2 3.43Å
53	E	81.3	Confident	88.8	Confident	201 Å²	201	64.8 Å²	64.8	94%	0.939	33%	0.329	S	S	*	.			trans	-95.4	139	166.7	-65	-170.2	165.7	0	0	109.4
54	F	84.9	Confident	88.7	Confident	66 Å²	66	64.5 Å²	64.5	29%	0.289	33%	0.328	S	S	.	.			trans	-119.9	143.3	-175.9	-54.3	-83.7	0	0	0	110.1	P50 G52 S56 Y60 Q63	P50-F54 HydrophobicContact CB-CE1 4.05Å; P50-F54 HydrophobicContact CB-CZ 3.79Å; P50-F54 HydrophobicContact CG-CE1 3.99Å; P50-F54 HydrophobicContact CG-CZ 3.68Å; G52-F54 WeakPolarHBondContact O-CE2 3.43Å; F54-S56 VanDerWaalsContact C-N 3.28Å; F54-S56 PolarHBondContact O-N 2.95Å; F54-Y60 HydrophobicContact CD1-CD2 4.1Å; F54-Y60 AromaticContact CD2-CD2 3.47Å; F54-Y60 HydrophobicContact CD2-CD2 3.47Å; F54-Y60 VanDerWaalsContact CD2-CD2 3.47Å; F54-Y60 HydrophobicContact CD2-CE2 4.21Å; F54-Y60 HydrophobicContact CD2-CG 4.34Å; F54-Y60 HydrophobicContact CE1-CD2 4.07Å; F54-Y60 AromaticContact CE2-CD2 3.43Å; F54-Y60 HydrophobicContact CE2-CD2 3.43Å; F54-Y60 VanDerWaalsContact CE2-CD2 3.43Å; F54-Y60 AromaticContact CE2-CE2 3.77Å; F54-Y60 HydrophobicContact CE2-CE2 3.77Å; F54-Y60 AromaticContact CG-CD2 3.82Å; F54-Y60 HydrophobicContact CG-CD2 3.82Å; F54-Y60 HydrophobicContact CG-CG 4.42Å; F54-Y60 AromaticContact CZ-CD2 3.75Å; F54-Y60 HydrophobicContact CZ-CD2 3.75Å; F54-Y60 HydrophobicContact CZ-CE2 4.07Å; F54-Q63 HydrophobicContact CD1-CB 4.1Å; F54-Q63 HydrophobicContact CD1-CG 3.87Å; F54-Q63 HydrophobicContact CE1-CB 3.66Å; F54-Q63 HydrophobicContact CE1-CG 3.78Å
55	R	77.8	Confident	88.7	Confident	194 Å²	194	64.5 Å²	64.5	73%	0.732	33%	0.328	S	S	*	.	S	Bend	trans	-71.2	-26.8	-174.9	-61.1	-179.7	-171.1	143.3	13.1	112	D59 E177	R55-D59 PolarHBondContact N-OD2 2.91Å; R55-E177 IonicContact CZ-OE1 3.52Å; R55-E177 IonicContact CZ-OE2 3.72Å; R55-E177 IonicContact NH1-OE1 3.82Å; R55-E177 IonicContact NH1-OE2 3.66Å; R55-E177 PolarHBondContact NH1-OE2 3.42Å; R55-E177 IonicContact NH2-OE1 3.93Å; R55-E177 PolarHBondContact NH2-OE1 3.02Å; R55-E177 IonicContact NH2-OE2 3Å
56	S	81.1	Confident	88.9	Confident	61 Å²	61	67.6 Å²	67.6	43%	0.427	34%	0.34	S	S	.	.	S	Bend	trans	-160.2	172.8	179.5	71.2	0	0	0	0	111.6	F54 A58 D59 Y60	F54-S56 VanDerWaalsContact C-N 3.28Å; F54-S56 PolarHBondContact O-N 2.95Å; S56-A58 VanDerWaalsContact C-N 3.34Å; S56-A58 PolarHBondContact OG-N 3.21Å; S56-D59 PolarHBondContact O-N 3.3Å; S56-D59 WeakPolarHBondContact OG-CB 3.36Å; S56-D59 PolarHBondContact OG-N 3.17Å; S56-D59 VanDerWaalsContact OG-N 3.09Å; S56-Y60 PolarHBondContact O-N 2.65Å
57	N	81.3	Confident	89	Confident	105 Å²	105	67.6 Å²	67.6	56%	0.561	34%	0.342	S	S	*	.	H	α-helix	trans	-64.3	-38.5	171.6	-170.2	25.9	0	0	0	111.8	D59 Y60 Q61	N57-D59 PolarHBondContact O-N 3.47Å; N57-Y60 WeakPolarHBondContact O-CB 3.36Å; N57-Y60 PolarHBondContact O-N 3.12Å; N57-Q61 WeakPolarHBondContact O-CG 3.29Å; N57-Q61 PolarHBondContact O-N 3.39Å; N57-Q61 PolarHBondContact OD1-NE2 2.81Å
58	A	78.3	Confident	89.2	Confident	24 Å²	24	64.6 Å²	64.6	20%	0.198	32%	0.323	C	S	.	.	H	α-helix	trans	-62	-44.4	176.7	0	0	0	0	0	111.6	S56 Y60 Q61 Y62	S56-A58 VanDerWaalsContact C-N 3.34Å; S56-A58 PolarHBondContact OG-N 3.21Å; A58-Y60 VanDerWaalsContact C-N 3.34Å; A58-Y60 PolarHBondContact O-N 2.83Å; A58-Q61 WeakPolarHBondContact O-CB 3.3Å; A58-Q61 PolarHBondContact O-N 2.8Å; A58-Q61 VanDerWaalsContact O-N 3.16Å; A58-Y62 PolarHBondContact O-N 3.41Å
59	D	84.1	Confident	89.5	Confident	20 Å²	20	63.4 Å²	63.4	11%	0.107	31%	0.314	C	S	.	.	H	α-helix	trans	-60	-43.4	173.9	-179.5	34.6	0	0	0	111.3	R55 S56 N57 Q61 Y62 Q63	R55-D59 PolarHBondContact N-OD2 2.91Å; S56-D59 PolarHBondContact O-N 3.3Å; S56-D59 WeakPolarHBondContact OG-CB 3.36Å; S56-D59 PolarHBondContact OG-N 3.17Å; S56-D59 VanDerWaalsContact OG-N 3.09Å; N57-D59 PolarHBondContact O-N 3.47Å; D59-Q61 PolarHBondContact O-N 3.39Å; D59-Y62 PolarHBondContact O-N 3.38Å; D59-Q63 WeakPolarHBondContact O-CG 3.45Å; D59-Q63 PolarHBondContact O-N 3.46Å
60	Y	91	Very high	89.8	Confident	57 Å²	57	55.5 Å²	55.5	22%	0.224	29%	0.286	C	S	.	.	H	α-helix	trans	-59.6	-43.3	173.3	177.9	-105.4	0	0	0	113.1	P50 F54 S56 N57 A58 Y62 Q63 L64	P50-Y60 HydrophobicContact CG-CD2 4.31Å; P50-Y60 HydrophobicContact CG-CE2 3.93Å; F54-Y60 HydrophobicContact CD1-CD2 4.1Å; F54-Y60 AromaticContact CD2-CD2 3.47Å; F54-Y60 HydrophobicContact CD2-CD2 3.47Å; F54-Y60 VanDerWaalsContact CD2-CD2 3.47Å; F54-Y60 HydrophobicContact CD2-CE2 4.21Å; F54-Y60 HydrophobicContact CD2-CG 4.34Å; F54-Y60 HydrophobicContact CE1-CD2 4.07Å; F54-Y60 AromaticContact CE2-CD2 3.43Å; F54-Y60 HydrophobicContact CE2-CD2 3.43Å; F54-Y60 VanDerWaalsContact CE2-CD2 3.43Å; F54-Y60 AromaticContact CE2-CE2 3.77Å; F54-Y60 HydrophobicContact CE2-CE2 3.77Å; F54-Y60 AromaticContact CG-CD2 3.82Å; F54-Y60 HydrophobicContact CG-CD2 3.82Å; F54-Y60 HydrophobicContact CG-CG 4.42Å; F54-Y60 AromaticContact CZ-CD2 3.75Å; F54-Y60 HydrophobicContact CZ-CD2 3.75Å; F54-Y60 HydrophobicContact CZ-CE2 4.07Å; S56-Y60 PolarHBondContact O-N 2.65Å; N57-Y60 WeakPolarHBondContact O-CB 3.36Å; N57-Y60 PolarHBondContact O-N 3.12Å; A58-Y60 VanDerWaalsContact C-N 3.34Å; A58-Y60 PolarHBondContact O-N 2.83Å; Y60-Y62 VanDerWaalsContact C-N 3.34Å; Y60-Y62 PolarHBondContact O-N 3.33Å; Y60-Q63 PolarHBondContact O-N 2.93Å; Y60-L64 HydrophobicContact CE1-CD2 4.48Å; Y60-L64 WeakPolarHBondContact O-CB 3.26Å; Y60-L64 PolarHBondContact O-N 2.93Å
61	Q	92.9	Very high	90.2	Very high	8 Å²	8	57.9 Å²	57.9	4%	0.037	30%	0.297	C	S	.	.	H	α-helix	trans	-61.5	-43.2	177.4	-67.4	-56	-49.2	0	0	111.3	N57 A58 D59 L64 L65 L262 A276	N57-Q61 WeakPolarHBondContact O-CG 3.29Å; N57-Q61 PolarHBondContact O-N 3.39Å; N57-Q61 PolarHBondContact OD1-NE2 2.81Å; A58-Q61 WeakPolarHBondContact O-CB 3.3Å; A58-Q61 PolarHBondContact O-N 2.8Å; A58-Q61 VanDerWaalsContact O-N 3.16Å; D59-Q61 PolarHBondContact O-N 3.39Å; Q61-L64 PolarHBondContact O-N 3.04Å; Q61-L65 WeakPolarHBondContact O-CB 3.46Å; Q61-L65 PolarHBondContact O-N 3.36Å; Q61-L262 HydrophobicContact CB-CD2 4.03Å; Q61-A276 HydrophobicContact CB-CB 3.97Å
62	Y	95.3	Very high	90.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.2	-46	175.2	178.1	-104.9	0	0	0	112.1	A58 D59 Y60 L64 L65 R66 P175 E178 F181	A58-Y62 PolarHBondContact O-N 3.41Å; D59-Y62 PolarHBondContact O-N 3.38Å; Y60-Y62 VanDerWaalsContact C-N 3.34Å; Y60-Y62 PolarHBondContact O-N 3.33Å; Y62-L64 VanDerWaalsContact C-N 3.28Å; Y62-L64 PolarHBondContact O-N 2.8Å; Y62-L65 WeakPolarHBondContact O-CB 3.18Å; Y62-L65 PolarHBondContact O-N 3.11Å; Y62-R66 HydrophobicContact CE1-CB 4.42Å; Y62-R66 WeakPolarHBondContact O-CB 3.46Å; Y62-R66 PolarHBondContact O-N 3.16Å; Y62-P175 WeakPolarHBondContact CE1-O 3.4Å; Y62-P175 PolarHBondContact OH-O 2.84Å; Y62-E178 HydrophobicContact CD1-CB 3.7Å; Y62-E178 HydrophobicContact CD1-CG 4.45Å; Y62-E178 HydrophobicContact CD2-CB 4.14Å; Y62-E178 HydrophobicContact CD2-CG 4.03Å; Y62-E178 HydrophobicContact CE1-CB 4.28Å; Y62-E178 HydrophobicContact CG-CB 3.63Å; Y62-E178 HydrophobicContact CG-CG 3.88Å; Y62-F181 HydrophobicContact CD2-CD1 4.4Å; Y62-F181 HydrophobicContact CE2-CB 3.56Å; Y62-F181 AromaticContact CE2-CD1 3.87Å; Y62-F181 HydrophobicContact CE2-CD1 3.87Å; Y62-F181 HydrophobicContact CE2-CD2 4.13Å; Y62-F181 AromaticContact CE2-CG 3.58Å; Y62-F181 HydrophobicContact CE2-CG 3.58Å; Y62-F181 WeakPolarHBondContact OH-CB 3.02Å
63	Q	95.8	Very high	91.5	Very high	21 Å²	21	51.7 Å²	51.7	10%	0.098	25%	0.248	C	C	.	.	H	α-helix	trans	-64.9	-33.1	178.4	-64.8	-56.2	-33.9	0	0	112.4	P50 F54 D59 Y60 C67 E176	P50-Q63 HydrophobicContact CB-CB 4.15Å; P50-Q63 HydrophobicContact CG-CB 3.99Å; F54-Q63 HydrophobicContact CD1-CB 4.1Å; F54-Q63 HydrophobicContact CD1-CG 3.87Å; F54-Q63 HydrophobicContact CE1-CB 3.66Å; F54-Q63 HydrophobicContact CE1-CG 3.78Å; D59-Q63 WeakPolarHBondContact O-CG 3.45Å; D59-Q63 PolarHBondContact O-N 3.46Å; Y60-Q63 PolarHBondContact O-N 2.93Å; Q63-C67 WeakPolarHBondContact O-CB 3.43Å; Q63-C67 PolarHBondContact O-N 3.26Å; Q63-E176 PolarHBondContact NE2-O 3.16Å
64	L	95.6	Very high	92.3	Very high	20 Å²	20	42.4 Å²	42.4	11%	0.105	21%	0.205	C	C	.	.	H	α-helix	trans	-65.8	-45.7	174.1	-179.5	64.1	0	0	0	111.1	V46 A48 R49 P50 Y60 Q61 Y62 N68	V46-L64 HydrophobicContact CG1-CD1 4.38Å; A48-L64 WeakPolarHBondContact O-CD1 3.43Å; R49-L64 HydrophobicContact CB-CD1 4.5Å; R49-L64 HydrophobicContact CG-CD1 4.17Å; P50-L64 HydrophobicContact CG-CB 4.4Å; Y60-L64 HydrophobicContact CE1-CD2 4.48Å; Y60-L64 WeakPolarHBondContact O-CB 3.26Å; Y60-L64 PolarHBondContact O-N 2.93Å; Q61-L64 PolarHBondContact O-N 3.04Å; Y62-L64 VanDerWaalsContact C-N 3.28Å; Y62-L64 PolarHBondContact O-N 2.8Å; L64-N68 PolarHBondContact O-N 3.13Å; L64-N68 PolarHBondContact O-ND2 2.9Å
65	L	97.4	Very high	93	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.3	-56.5	173.6	179.1	166.6	0	0	0	110.8	Q61 Y62 C67 N68 V69 G159 Y160 L174 L262	Q61-L65 WeakPolarHBondContact O-CB 3.46Å; Q61-L65 PolarHBondContact O-N 3.36Å; Y62-L65 WeakPolarHBondContact O-CB 3.18Å; Y62-L65 PolarHBondContact O-N 3.11Å; L65-C67 VanDerWaalsContact C-N 3.33Å; L65-C67 PolarHBondContact O-N 3.03Å; L65-N68 PolarHBondContact O-N 2.95Å; L65-N68 VanDerWaalsContact O-N 3.09Å; L65-V69 HydrophobicContact CD2-CB 4.36Å; L65-V69 HydrophobicContact CD2-CG2 3.78Å; L65-V69 HydrophobicContact CG-CG2 4.14Å; L65-V69 WeakPolarHBondContact O-CB 3.28Å; L65-V69 WeakPolarHBondContact O-CG2 3.41Å; L65-V69 PolarHBondContact O-N 2.91Å; L65-G159 WeakPolarHBondContact CD1-O 3.41Å; L65-Y160 WeakPolarHBondContact CA-OH 3.37Å; L65-Y160 HydrophobicContact CB-CD2 4.34Å; L65-Y160 HydrophobicContact CB-CE1 4.48Å; L65-Y160 HydrophobicContact CB-CE2 3.86Å; L65-Y160 HydrophobicContact CD1-CD2 4.06Å; L65-Y160 HydrophobicContact CD1-CE2 4.33Å; L65-Y160 HydrophobicContact CG-CD1 4.37Å; L65-Y160 HydrophobicContact CG-CD2 3.98Å; L65-Y160 HydrophobicContact CG-CE1 4.44Å; L65-Y160 HydrophobicContact CG-CE2 4.01Å; L65-Y160 HydrophobicContact CG-CG 4.17Å; L65-L174 HydrophobicContact CD2-CD1 3.55Å; L65-L262 HydrophobicContact CD1-CD1 3.73Å
66	R	97.7	Very high	94	Very high	65 Å²	65	30.1 Å²	30.1	25%	0.245	16%	0.157	C	C	.	.	H	α-helix	trans	-52.5	-50.5	-178.9	178.2	172.8	84.9	88.4	-1.6	112.1	Y62 N68 V69 D70 L174 P175	Y62-R66 HydrophobicContact CE1-CB 4.42Å; Y62-R66 WeakPolarHBondContact O-CB 3.46Å; Y62-R66 PolarHBondContact O-N 3.16Å; R66-N68 PolarHBondContact O-N 3.48Å; R66-V69 PolarHBondContact O-N 3.06Å; R66-D70 WeakPolarHBondContact CG-OD2 3.07Å; R66-D70 WeakPolarHBondContact O-CB 3.3Å; R66-D70 VanDerWaalsContact O-CG 3.27Å; R66-D70 PolarHBondContact O-N 2.9Å; R66-L174 HydrophobicContact CG-CB 4.05Å; R66-P175 WeakPolarHBondContact CD-O 3.35Å
67	C	96.9	Very high	94.8	Very high	41 Å²	41	27.2 Å²	27.2	28%	0.277	14%	0.137	S	C	.	.	H	α-helix	trans	-56.6	-38	-178.7	-178.5	0	0	0	0	112.8	Q63 L65 L71	Q63-C67 WeakPolarHBondContact O-CB 3.43Å; Q63-C67 PolarHBondContact O-N 3.26Å; L65-C67 VanDerWaalsContact C-N 3.33Å; L65-C67 PolarHBondContact O-N 3.03Å; C67-L71 WeakPolarHBondContact O-CB 3.45Å
68	N	98.3	Very high	95.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-87.4	-41.6	-177.3	-73	-84.2	0	0	0	112	V46 V47 A48 L64 L65 R66 D70 L71 L72 Y160	V46-N68 WeakPolarHBondContact CA-OD1 2.9Å; V46-N68 HydrophobicContact CG2-CB 4.46Å; V47-N68 PolarHBondContact N-OD1 3.13Å; A48-N68 PolarHBondContact N-OD1 2.82Å; A48-N68 PolarHBondContact O-ND2 2.99Å; A48-N68 PolarHBondContact O-OD1 3.48Å; L64-N68 PolarHBondContact O-N 3.13Å; L64-N68 PolarHBondContact O-ND2 2.9Å; L65-N68 PolarHBondContact O-N 2.95Å; L65-N68 VanDerWaalsContact O-N 3.09Å; R66-N68 PolarHBondContact O-N 3.48Å; N68-D70 VanDerWaalsContact C-N 3.32Å; N68-D70 PolarHBondContact O-N 3.25Å; N68-L71 PolarHBondContact O-N 2.89Å; N68-L72 HydrophobicContact CB-CD1 4.29Å; N68-L72 VanDerWaalsContact O-CB 3.3Å; N68-L72 WeakPolarHBondContact O-CB 3.5Å; N68-L72 VanDerWaalsContact O-CG 3.32Å; N68-L72 WeakPolarHBondContact O-CG 3.21Å; N68-L72 PolarHBondContact O-N 2.75Å; N68-Y160 HydrophobicContact CB-CE1 4.1Å
69	V	98.5	Very high	96.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.7	-41.2	177.7	171.5	0	0	0	0	111	L65 R66 L71 Y160 Y164 K167 L174	L65-V69 HydrophobicContact CD2-CB 4.36Å; L65-V69 HydrophobicContact CD2-CG2 3.78Å; L65-V69 HydrophobicContact CG-CG2 4.14Å; L65-V69 WeakPolarHBondContact O-CB 3.28Å; L65-V69 WeakPolarHBondContact O-CG2 3.41Å; L65-V69 PolarHBondContact O-N 2.91Å; R66-V69 PolarHBondContact O-N 3.06Å; V69-L71 VanDerWaalsContact C-N 3.3Å; V69-L71 PolarHBondContact O-N 3.22Å; V69-Y160 HydrophobicContact CG2-CD1 3.79Å; V69-Y160 HydrophobicContact CG2-CE1 4.28Å; V69-Y160 HydrophobicContact CG2-CG 4.49Å; V69-Y164 HydrophobicContact CG1-CD1 4.1Å; V69-Y164 HydrophobicContact CG1-CE1 4.31Å; V69-Y164 HydrophobicContact CG1-CG 4.27Å; V69-Y164 HydrophobicContact CG2-CD2 4.25Å; V69-Y164 HydrophobicContact CG2-CE2 4.04Å; V69-K167 HydrophobicContact CG1-CB 4.15Å; V69-K167 HydrophobicContact CG1-CD 3.97Å; V69-K167 VanDerWaalsContact O-CD 3.25Å; V69-K167 WeakPolarHBondContact O-CD 3.43Å; V69-K167 WeakPolarHBondContact O-CE 3.45Å; V69-K167 PolarHBondContact O-NZ 2.92Å; V69-L174 HydrophobicContact CB-CD1 3.93Å; V69-L174 HydrophobicContact CG1-CD1 3.73Å; V69-L174 HydrophobicContact CG1-CG 4.23Å
70	D	98.3	Very high	97.4	Very high	29 Å²	29	20.2 Å²	20.2	16%	0.155	10%	0.096	C	C	.	.	H	α-helix	trans	-63.8	-38	177.1	-71.7	-15.7	0	0	0	111.6	R66 N68 K167 N173 L174	R66-D70 WeakPolarHBondContact CG-OD2 3.07Å; R66-D70 WeakPolarHBondContact O-CB 3.3Å; R66-D70 VanDerWaalsContact O-CG 3.27Å; R66-D70 PolarHBondContact O-N 2.9Å; N68-D70 VanDerWaalsContact C-N 3.32Å; N68-D70 PolarHBondContact O-N 3.25Å; D70-K167 PolarHBondContact O-NZ 2.74Å; D70-N173 WeakPolarHBondContact OD1-CA 3.34Å; D70-L174 PolarHBondContact OD1-N 2.89Å
71	L	97.7	Very high	97.7	Very high	74 Å²	74	17.5 Å²	17.5	39%	0.387	9%	0.085	S	C	.	.	H	α-helix	trans	-79.2	-36.1	-174.4	-170.2	68	0	0	0	113.7	V47 A48 C67 N68 V69 M107	V47-L71 HydrophobicContact CG2-CD2 3.57Å; A48-L71 HydrophobicContact CB-CD2 4.27Å; C67-L71 WeakPolarHBondContact O-CB 3.45Å; N68-L71 PolarHBondContact O-N 2.89Å; V69-L71 VanDerWaalsContact C-N 3.3Å; V69-L71 PolarHBondContact O-N 3.22Å; L71-M107 HydrophobicContact CD1-CE 3.29Å; L71-M107 HydrophobicContact CD1-SD 3.9Å; L71-M107 HydrophobicContact CD2-CE 4.36Å; L71-M107 HydrophobicContact CD2-SD 4.13Å; L71-M107 HydrophobicContact CG-CE 3.53Å; L71-M107 HydrophobicContact CG-SD 3.95Å
72	L	98.4	Very high	98	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	8%	0.083	C	C	.	.	S	Bend	trans	-101.7	162.7	-169.8	-59.7	175.5	0	0	0	111.9	P44 G45 V47 N68 M107 Y164 K167	P44-L72 HydrophobicContact CG-CB 4.05Å; P44-L72 HydrophobicContact CG-CD1 4.26Å; P44-L72 HydrophobicContact CG-CD2 4.19Å; P44-L72 HydrophobicContact CG-CG 4.4Å; G45-L72 WeakPolarHBondContact O-CD1 3.43Å; V47-L72 HydrophobicContact CG1-CD1 4.45Å; V47-L72 HydrophobicContact CG1-CD2 4.25Å; V47-L72 HydrophobicContact CG2-CD1 4.28Å; V47-L72 HydrophobicContact CG2-CD2 3.85Å; V47-L72 HydrophobicContact CG2-CG 4.32Å; N68-L72 HydrophobicContact CB-CD1 4.29Å; N68-L72 VanDerWaalsContact O-CB 3.3Å; N68-L72 WeakPolarHBondContact O-CB 3.5Å; N68-L72 VanDerWaalsContact O-CG 3.32Å; N68-L72 WeakPolarHBondContact O-CG 3.21Å; N68-L72 PolarHBondContact O-N 2.75Å; L72-M107 HydrophobicContact CD2-CB 3.77Å; L72-M107 WeakPolarHBondContact CD2-O 3.22Å; L72-Y164 WeakPolarHBondContact CB-OH 3.41Å; L72-K167 PolarHBondContact O-NZ 2.76Å
73	K	98.7	Very high	98.2	Very high	99 Å²	99	17.9 Å²	17.9	43%	0.43	9%	0.087	S	C	.	.			trans	-107.4	142.3	175.4	-67.3	-176.1	-177.1	168.4	0	110.2	P44 F101 D106	P44-K73 WeakPolarHBondContact CD-O 3.49Å; K73-F101 HydrophobicContact CB-CD2 3.95Å; K73-F101 HydrophobicContact CB-CE2 3.98Å; K73-D106 WeakPolarHBondContact CD-OD1 3.4Å; K73-D106 WeakPolarHBondContact CE-OD1 3.49Å; K73-D106 IonicContact NZ-OD1 2.8Å; K73-D106 PolarHBondContact NZ-OD1 2.89Å; K73-D106 IonicContact NZ-OD2 2.85Å
74	I	98.8	Very high	98.3	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.026	10%	0.098	C	C	.	.			trans	-65.6	149.4	170.4	-170.2	166.6	0	0	0	110.3	T41 Q76 L77 F99 T133 Y164 I168	T41-I74 HydrophobicContact CG2-CD1 3.84Å; I74-Q76 WeakPolarHBondContact CD1-O 3.23Å; I74-Q76 WeakPolarHBondContact CG1-O 3.24Å; I74-L77 HydrophobicContact CD1-CB 4.33Å; I74-F99 HydrophobicContact CB-CD2 4.34Å; I74-F99 HydrophobicContact CD1-CD2 4.25Å; I74-F99 HydrophobicContact CD1-CE2 3.8Å; I74-F99 HydrophobicContact CG1-CD2 3.96Å; I74-F99 HydrophobicContact CG1-CE2 4.03Å; I74-F99 HydrophobicContact CG2-CB 4.3Å; I74-F99 HydrophobicContact CG2-CD2 3.59Å; I74-F99 HydrophobicContact CG2-CE2 3.95Å; I74-F99 HydrophobicContact CG2-CG 3.89Å; I74-T133 HydrophobicContact CG2-CG2 3.76Å; I74-Y164 HydrophobicContact CB-CD1 3.89Å; I74-Y164 HydrophobicContact CB-CE1 4.34Å; I74-Y164 HydrophobicContact CB-CG 4.27Å; I74-Y164 HydrophobicContact CD1-CG 4.49Å; I74-I168 HydrophobicContact CD1-CD1 4.29Å; I74-I168 HydrophobicContact CG2-CD1 3.78Å
75	I	98.9	Very high	98.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.122	C	C	.	.			trans	-110.9	-48	178.4	-61	166.1	0	0	0	110.4	E42 P44 F99 F101 I113 L116 I121 F123 H126	E42-I75 WeakPolarHBondContact O-CA 3.43Å; E42-I75 WeakPolarHBondContact O-CB 3.34Å; E42-I75 PolarHBondContact O-N 2.81Å; P44-I75 HydrophobicContact CB-CD1 4.16Å; I75-F99 PolarHBondContact O-N 2.79Å; I75-F101 HydrophobicContact CD1-CD2 4.48Å; I75-F101 HydrophobicContact CD1-CE2 4.32Å; I75-F101 HydrophobicContact CD1-CZ 4.35Å; I75-F101 HydrophobicContact CG1-CD1 4.45Å; I75-F101 HydrophobicContact CG1-CD2 3.71Å; I75-F101 HydrophobicContact CG1-CE2 3.94Å; I75-F101 HydrophobicContact CG1-CG 3.99Å; I75-F101 HydrophobicContact CG1-CZ 4.42Å; I75-I113 HydrophobicContact CD1-CD1 4.37Å; I75-L116 HydrophobicContact CD1-CD1 3.59Å; I75-I121 HydrophobicContact CG2-CG2 4.2Å; I75-F123 HydrophobicContact CD1-CE1 3.95Å; I75-F123 HydrophobicContact CD1-CZ 4.32Å; I75-F123 HydrophobicContact CG2-CE1 4.34Å; I75-H126 PolarHBondContact O-CE1 2.88Å; I75-H126 VanDerWaalsContact O-CE1 3.23Å; I75-H126 PolarHBondContact O-ND1 2.89Å
76	Q	98.9	Very high	98.4	Very high	2 Å²	2	26 Å²	26	1%	0.009	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	154.4	174.4	-66.2	-174.7	-35.7	0	0	112.9	T41 E42 I74 Q96 F97 N98 I121 A227	T41-Q76 WeakPolarHBondContact CA-O 3.33Å; T41-Q76 WeakPolarHBondContact CB-O 3.49Å; E42-Q76 HydrophobicContact CB-CB 4.05Å; E42-Q76 HydrophobicContact CG-CB 4.32Å; E42-Q76 PolarHBondContact N-O 2.79Å; E42-Q76 PolarHBondContact O-N 3.05Å; I74-Q76 WeakPolarHBondContact CD1-O 3.23Å; I74-Q76 WeakPolarHBondContact CG1-O 3.24Å; Q76-Q96 VanDerWaalsContact NE2-CD 3.27Å; Q76-F97 VanDerWaalsContact CA-O 3.23Å; Q76-F97 WeakPolarHBondContact CA-O 3.38Å; Q76-N98 PolarHBondContact NE2-OD1 2.85Å; Q76-I121 HydrophobicContact CG-CD1 4.09Å; Q76-I121 VanDerWaalsContact NE2-CD1 3.28Å; Q76-A227 HydrophobicContact CB-CB 3.76Å
77	L	98.9	Very high	98.4	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	130	165.4	167.4	69.7	0	0	0	108.2	M39 T41 I74 L79 F97 F99 L136 L165	M39-L77 HydrophobicContact CG-CD1 3.49Å; M39-L77 VanDerWaalsContact CG-CD1 3.49Å; M39-L77 HydrophobicContact SD-CD1 3.9Å; T41-L77 HydrophobicContact CG2-CD1 3.77Å; I74-L77 HydrophobicContact CD1-CB 4.33Å; L77-L79 HydrophobicContact CD1-CD2 3.96Å; L77-L79 HydrophobicContact CD1-CG 4.42Å; L77-L79 HydrophobicContact CD2-CD1 4.33Å; L77-L79 HydrophobicContact CD2-CD2 4.41Å; L77-L79 HydrophobicContact CD2-CG 4.25Å; L77-L79 HydrophobicContact CG-CD2 4.22Å; L77-L79 HydrophobicContact CG-CG 4.14Å; L77-F97 HydrophobicContact CB-CB 4.28Å; L77-F97 HydrophobicContact CB-CD2 4.41Å; L77-F97 HydrophobicContact CD2-CD2 4.17Å; L77-F97 HydrophobicContact CG-CD2 4.2Å; L77-F97 PolarHBondContact N-O 2.87Å; L77-F97 WeakPolarHBondContact O-CD2 3.13Å; L77-F97 PolarHBondContact O-N 3.45Å; L77-F99 HydrophobicContact CB-CE2 3.56Å; L77-F99 HydrophobicContact CB-CZ 3.96Å; L77-F99 HydrophobicContact CD2-CZ 4.42Å; L77-L136 HydrophobicContact CD2-CD2 4.2Å; L77-L165 HydrophobicContact CD1-CD2 4.09Å; L77-L165 HydrophobicContact CD2-CD2 3.95Å
78	G	98.9	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.7	173.7	0	0	0	0	0	110.3	M39 D40 W95 A227 S231	M39-G78 VanDerWaalsContact CA-O 3.27Å; M39-G78 WeakPolarHBondContact CA-O 3.2Å; D40-G78 PolarHBondContact N-O 3.27Å; D40-G78 PolarHBondContact O-N 3.49Å; G78-W95 WeakPolarHBondContact CA-O 3.36Å; G78-A227 WeakPolarHBondContact CA-O 3.26Å; G78-S231 WeakPolarHBondContact O-CB 3.48Å
79	L	98.9	Very high	98.5	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	118.3	173.6	-61.5	-177.7	0	0	0	110.1	I37 A38 M39 L77 F81 T94 W95 F97 W153	I37-L79 HydrophobicContact CG2-CB 4.33Å; I37-L79 HydrophobicContact CG2-CD2 3.9Å; A38-L79 WeakPolarHBondContact O-CA 3.37Å; M39-L79 HydrophobicContact CB-CD2 3.83Å; M39-L79 HydrophobicContact CG-CD2 3.57Å; L77-L79 HydrophobicContact CD1-CD2 3.96Å; L77-L79 HydrophobicContact CD1-CG 4.42Å; L77-L79 HydrophobicContact CD2-CD1 4.33Å; L77-L79 HydrophobicContact CD2-CD2 4.41Å; L77-L79 HydrophobicContact CD2-CG 4.25Å; L77-L79 HydrophobicContact CG-CD2 4.22Å; L77-L79 HydrophobicContact CG-CG 4.14Å; L79-F81 HydrophobicContact CB-CE2 3.83Å; L79-F81 HydrophobicContact CB-CZ 4.28Å; L79-F81 HydrophobicContact CD1-CZ 4.44Å; L79-T94 CarbonylContact O-C 3.6Å; L79-T94 VanDerWaalsContact O-CA 3.28Å; L79-T94 WeakPolarHBondContact O-CA 3.47Å; L79-W95 PolarHBondContact N-O 2.85Å; L79-W95 PolarHBondContact O-N 3.03Å; L79-F97 HydrophobicContact CB-CE2 4.31Å; L79-F97 HydrophobicContact CD1-CE2 3.78Å; L79-F97 HydrophobicContact CD1-CZ 4.47Å; L79-F97 HydrophobicContact CG-CE2 4.01Å; L79-W153 HydrophobicContact CD2-CH2 4.01Å; L79-W153 HydrophobicContact CD2-CZ3 3.75Å
80	T	98.9	Very high	98.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	126	175	-66.6	0	0	0	0	110.7	I37 A38 M82 Y88 S93 T94 S231 L232	I37-T80 CarbonylContact C-O 3.55Å; I37-T80 WeakPolarHBondContact CA-O 3.42Å; A38-T80 PolarHBondContact N-O 2.8Å; A38-T80 PolarHBondContact O-N 2.89Å; T80-M82 HydrophobicContact CG2-CE 4.23Å; T80-M82 HydrophobicContact CG2-CG 4.4Å; T80-M82 HydrophobicContact CG2-SD 4.41Å; T80-Y88 HydrophobicContact CG2-CD1 4.31Å; T80-Y88 HydrophobicContact CG2-CE1 3.99Å; T80-S93 WeakPolarHBondContact CA-O 3.42Å; T80-T94 WeakPolarHBondContact CG2-OG1 3.5Å; T80-T94 WeakPolarHBondContact OG1-CB 3.37Å; T80-T94 WeakPolarHBondContact OG1-CG2 3.44Å; T80-T94 PolarHBondContact OG1-OG1 2.91Å; T80-S231 PolarHBondContact OG1-OG 2.83Å; T80-L232 HydrophobicContact CG2-CB 4.45Å; T80-L232 HydrophobicContact CG2-CD1 3.69Å; T80-L232 VanDerWaalsContact OG1-CA 3.3Å; T80-L232 WeakPolarHBondContact OG1-CA 3.48Å; T80-L232 PolarHBondContact OG1-N 3.14Å
81	F	98.8	Very high	98.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	131.1	-177	-64.3	-99.7	0	0	0	111.4	I27 V30 I31 Y36 I37 L79 P89 S93 W95 V145	I27-F81 HydrophobicContact CB-CZ 4.47Å; I27-F81 HydrophobicContact CD1-CE2 4.37Å; I27-F81 HydrophobicContact CD1-CZ 4.5Å; I27-F81 HydrophobicContact CG1-CE2 4.17Å; I27-F81 HydrophobicContact CG1-CZ 4.27Å; I27-F81 HydrophobicContact CG2-CE1 4.02Å; I27-F81 HydrophobicContact CG2-CE2 4.27Å; I27-F81 HydrophobicContact CG2-CZ 3.53Å; V30-F81 HydrophobicContact CG1-CB 3.57Å; V30-F81 HydrophobicContact CG1-CD1 4.02Å; V30-F81 HydrophobicContact CG1-CD2 4.49Å; V30-F81 HydrophobicContact CG1-CG 3.78Å; I31-F81 HydrophobicContact CB-CE1 4.38Å; I31-F81 HydrophobicContact CD1-CD1 4.23Å; I31-F81 HydrophobicContact CD1-CE1 4.06Å; Y36-F81 CarbonylContact O-C 3.53Å; Y36-F81 WeakPolarHBondContact O-CA 3.11Å; I37-F81 HydrophobicContact CD1-CD1 4.38Å; I37-F81 HydrophobicContact CD1-CE1 3.82Å; I37-F81 HydrophobicContact CG1-CD1 4Å; I37-F81 HydrophobicContact CG1-CE1 3.92Å; L79-F81 HydrophobicContact CB-CE2 3.83Å; L79-F81 HydrophobicContact CB-CZ 4.28Å; L79-F81 HydrophobicContact CD1-CZ 4.44Å; F81-P89 WeakPolarHBondContact O-CD 3.27Å; F81-S93 PolarHBondContact N-O 3.04Å; F81-W95 AromaticContact CD2-CE3 3.53Å; F81-W95 HydrophobicContact CD2-CE3 3.53Å; F81-W95 AromaticContact CD2-CZ3 3.43Å; F81-W95 HydrophobicContact CD2-CZ3 3.43Å; F81-W95 VanDerWaalsContact CD2-CZ3 3.43Å; F81-W95 AromaticContact CE2-CE3 3.59Å; F81-W95 HydrophobicContact CE2-CE3 3.59Å; F81-W95 AromaticContact CE2-CZ3 3.88Å; F81-W95 HydrophobicContact CE2-CZ3 3.88Å; F81-W95 HydrophobicContact CG-CZ3 4.3Å; F81-V145 HydrophobicContact CE1-CG2 4.19Å; F81-V145 HydrophobicContact CZ-CG2 4.34Å
82	M	98.8	Very high	98.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	165.7	178.5	-64.4	160	-68.4	0	0	110.5	Y34 N35 Y36 A38 T80 E87 Y88 L154 F239	Y34-M82 CarbonylContact C-O 2.99Å; Y34-M82 WeakPolarHBondContact CA-O 3.45Å; Y34-M82 WeakPolarHBondContact CB-O 3.38Å; N35-M82 PolarHBondContact N-O 3.44Å; N35-M82 VanDerWaalsContact N-O 3.13Å; Y36-M82 WeakPolarHBondContact CB-O 3.32Å; Y36-M82 PolarHBondContact N-O 3.43Å; Y36-M82 PolarHBondContact O-N 3.12Å; A38-M82 HydrophobicContact CB-CE 3.57Å; T80-M82 HydrophobicContact CG2-CE 4.23Å; T80-M82 HydrophobicContact CG2-CG 4.4Å; T80-M82 HydrophobicContact CG2-SD 4.41Å; M82-E87 CarbonylContact C-O 3.57Å; M82-E87 WeakPolarHBondContact CA-O 3.27Å; M82-Y88 HydrophobicContact CG-CD1 3.59Å; M82-Y88 HydrophobicContact CG-CE1 3.52Å; M82-Y88 HydrophobicContact CG-CG 4.41Å; M82-Y88 HydrophobicContact SD-CD1 4.42Å; M82-Y88 HydrophobicContact SD-CE1 3.74Å; M82-L154 HydrophobicContact CE-CD1 3.8Å; M82-F239 HydrophobicContact CB-CE2 3.87Å; M82-F239 HydrophobicContact CB-CZ 4.38Å; M82-F239 HydrophobicContact CE-CD2 4.43Å; M82-F239 HydrophobicContact CE-CE2 3.93Å; M82-F239 HydrophobicContact CG-CE2 4.29Å; M82-F239 HydrophobicContact SD-CD2 3.72Å; M82-F239 HydrophobicContact SD-CE2 3.54Å; M82-F239 VanDerWaalsContact SD-CE2 3.54Å
83	N	98.6	Very high	98	Very high	16 Å²	16	33.2 Å²	33.2	9%	0.086	18%	0.18	C	C	.	.			trans	-101.8	-177	171.2	70	10.7	0	0	0	111.4	Y34 Q85 G86 E87 F239	Y34-N83 HydrophobicContact CD1-CB 3.88Å; Y34-N83 HydrophobicContact CE1-CB 4.29Å; N83-Q85 PolarHBondContact O-N 2.78Å; N83-Q85 VanDerWaalsContact O-N 3.13Å; N83-Q85 WeakPolarHBondContact OD1-CA 3.21Å; N83-Q85 PolarHBondContact OD1-N 3.41Å; N83-G86 PolarHBondContact O-N 2.76Å; N83-G86 PolarHBondContact OD1-N 3.13Å; N83-E87 PolarHBondContact N-O 3.28Å; N83-E87 PolarHBondContact ND2-OE2 2.81Å; N83-E87 WeakPolarHBondContact OD1-CB 3.46Å; N83-E87 PolarHBondContact OD1-N 3.29Å; N83-F239 WeakPolarHBondContact O-CZ 3.5Å
84	E	98.3	Very high	98.1	Very high	71 Å²	71	28.5 Å²	28.5	33%	0.332	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.9	180	-176.5	64	-121.3	0	0	113.8	Y36 K152 R242	Y36-E84 HydrophobicContact CE2-CB 4.11Å; Y36-E84 VanDerWaalsContact CE2-OE2 3.27Å; Y36-E84 WeakPolarHBondContact CE2-OE2 3.45Å; Y36-E84 VanDerWaalsContact OH-CD 3.26Å; Y36-E84 PolarHBondContact OH-OE1 2.93Å; Y36-E84 PolarHBondContact OH-OE2 2.88Å; E84-K152 IonicContact OE2-NZ 3.56Å; E84-K152 PolarHBondContact OE2-NZ 3.18Å; E84-R242 PolarHBondContact O-NH1 3.46Å; E84-R242 PolarHBondContact O-NH2 3.03Å; E84-R242 IonicContact OE1-NH1 3.79Å; E84-R242 PolarHBondContact OE1-NH1 3.35Å
85	Q	97.9	Very high	98.1	Very high	127 Å²	127	28.4 Å²	28.4	59%	0.593	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	0.1	178.2	-66.7	70.5	40.6	0	0	112.8	N83 E87	N83-Q85 PolarHBondContact O-N 2.78Å; N83-Q85 VanDerWaalsContact O-N 3.13Å; N83-Q85 WeakPolarHBondContact OD1-CA 3.21Å; N83-Q85 PolarHBondContact OD1-N 3.41Å; Q85-E87 VanDerWaalsContact C-N 3.26Å; Q85-E87 HydrophobicContact CB-CG 3.99Å
86	G	97.7	Very high	98.1	Very high	15 Å²	15	28.5 Å²	28.5	16%	0.155	16%	0.159	C	C	.	.	S	Bend	trans	75.3	14.9	-174.4	0	0	0	0	0	113.7	N83	N83-G86 PolarHBondContact O-N 2.76Å; N83-G86 PolarHBondContact OD1-N 3.13Å
87	E	98.2	Very high	98.1	Very high	112 Å²	112	28.5 Å²	28.5	52%	0.523	16%	0.159	S	C	.	.	P	Polyproline II helix	trans	-81.7	149.9	175.5	-51.9	170.5	160.5	0	0	110.5	Y34 M82 N83 Q85	Y34-E87 WeakPolarHBondContact CD1-O 3.4Å; M82-E87 CarbonylContact C-O 3.57Å; M82-E87 WeakPolarHBondContact CA-O 3.27Å; N83-E87 PolarHBondContact N-O 3.28Å; N83-E87 PolarHBondContact ND2-OE2 2.81Å; N83-E87 WeakPolarHBondContact OD1-CB 3.46Å; N83-E87 PolarHBondContact OD1-N 3.29Å; Q85-E87 VanDerWaalsContact C-N 3.26Å; Q85-E87 HydrophobicContact CB-CG 3.99Å
88	Y	98.3	Very high	98.1	Very high	55 Å²	55	28.5 Å²	28.5	22%	0.216	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-100.9	155.3	-177.6	-57.2	-88.3	0	0	0	111.7	R11 Y34 T80 M82 L232 M236	R11-Y88 VanDerWaalsContact NH2-CE2 3.25Å; Y34-Y88 WeakPolarHBondContact CE1-O 3.41Å; Y34-Y88 PolarHBondContact OH-O 3.22Å; T80-Y88 HydrophobicContact CG2-CD1 4.31Å; T80-Y88 HydrophobicContact CG2-CE1 3.99Å; M82-Y88 HydrophobicContact CG-CD1 3.59Å; M82-Y88 HydrophobicContact CG-CE1 3.52Å; M82-Y88 HydrophobicContact CG-CG 4.41Å; M82-Y88 HydrophobicContact SD-CD1 4.42Å; M82-Y88 HydrophobicContact SD-CE1 3.74Å; Y88-L232 HydrophobicContact CD1-CD1 4.38Å; Y88-L232 HydrophobicContact CE1-CD1 3.5Å; Y88-M236 VanDerWaalsContact OH-CG 3.26Å; Y88-M236 WeakPolarHBondContact OH-CG 3.26Å
89	P	97.3	Very high	98.1	Very high	7 Å²	7	28.5 Å²	28.5	5%	0.045	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-61.2	150.5	168.2	28.8	-36.6	0	0	0	111.2	V30 Y34 F81 G91 T92	V30-P89 HydrophobicContact CG1-CB 4.19Å; V30-P89 HydrophobicContact CG1-CG 4.02Å; V30-P89 HydrophobicContact CG2-CB 4.38Å; Y34-P89 HydrophobicContact CD2-CB 3.88Å; Y34-P89 HydrophobicContact CE1-CB 4.38Å; Y34-P89 VanDerWaalsContact CE1-N 3.31Å; Y34-P89 HydrophobicContact CE2-CB 3.68Å; Y34-P89 HydrophobicContact CG-CB 4.32Å; F81-P89 WeakPolarHBondContact O-CD 3.27Å; P89-G91 PolarHBondContact O-N 3.31Å; P89-T92 WeakPolarHBondContact CG-O 3.2Å
90	P	93.8	Very high	98.1	Very high	117 Å²	117	32.5 Å²	32.5	76%	0.76	18%	0.177	S	C	*	.	S	Bend	trans	-65.5	132.8	176	27.6	-33.9	0	0	0	110.6
91	G	94.8	Very high	98.1	Very high	41 Å²	41	32.6 Å²	32.6	42%	0.423	18%	0.177	S	C	.	.	S	Bend	trans	85.3	-123.8	-176.7	0	0	0	0	0	111.8	P89 S93	P89-G91 PolarHBondContact O-N 3.31Å; G91-S93 PolarHBondContact O-N 3.42Å
92	T	97.6	Very high	98	Very high	28 Å²	28	33.8 Å²	33.8	17%	0.172	18%	0.183	C	C	.	.			trans	-69.5	123.7	178.3	-56.3	0	0	0	0	110.6	Q10 C13 P89 T94 W95	Q10-T92 WeakPolarHBondContact O-CA 3.48Å; Q10-T92 PolarHBondContact O-N 3.44Å; Q10-T92 PolarHBondContact O-OG1 3.34Å; C13-T92 HydrophobicContact CB-CG2 3.46Å; C13-T92 VanDerWaalsContact CB-CG2 3.46Å; P89-T92 WeakPolarHBondContact CG-O 3.2Å; T92-T94 WeakPolarHBondContact CG2-O 3.43Å; T92-W95 HydrophobicContact CG2-CD2 4.06Å; T92-W95 HydrophobicContact CG2-CE3 4.36Å; T92-W95 HydrophobicContact CG2-CH2 4Å; T92-W95 HydrophobicContact CG2-CZ2 3.69Å; T92-W95 HydrophobicContact CG2-CZ3 4.32Å; T92-W95 WeakPolarHBondContact O-CH2 3.34Å
93	S	98.1	Very high	98	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.			trans	-107.7	-18.6	172.6	65.1	0	0	0	0	113.6	R11 T80 F81 G91	R11-S93 WeakPolarHBondContact CD-OG 3.49Å; R11-S93 PolarHBondContact NE-OG 3.06Å; R11-S93 PolarHBondContact O-N 2.84Å; R11-S93 VanDerWaalsContact O-N 3.12Å; T80-S93 WeakPolarHBondContact CA-O 3.42Å; F81-S93 PolarHBondContact N-O 3.04Å; G91-S93 PolarHBondContact O-N 3.42Å
94	T	98.8	Very high	98	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	130.9	-166.7	-58.6	0	0	0	0	109.2	R11 I12 C13 L79 T80 T92 G228	R11-T94 PolarHBondContact O-N 3.28Å; I12-T94 CarbonylContact C-O 3.56Å; I12-T94 WeakPolarHBondContact CA-O 3.19Å; I12-T94 HydrophobicContact CB-CG2 4.49Å; I12-T94 HydrophobicContact CG1-CG2 3.98Å; I12-T94 HydrophobicContact CG2-CG2 4.18Å; C13-T94 PolarHBondContact N-O 3.44Å; L79-T94 CarbonylContact O-C 3.6Å; L79-T94 VanDerWaalsContact O-CA 3.28Å; L79-T94 WeakPolarHBondContact O-CA 3.47Å; T80-T94 WeakPolarHBondContact CG2-OG1 3.5Å; T80-T94 WeakPolarHBondContact OG1-CB 3.37Å; T80-T94 WeakPolarHBondContact OG1-CG2 3.44Å; T80-T94 PolarHBondContact OG1-OG1 2.91Å; T92-T94 WeakPolarHBondContact CG2-O 3.43Å; T94-G228 WeakPolarHBondContact CG2-O 3.36Å
95	W	98.9	Very high	97.9	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.015	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.1	175.4	-73.4	-95	0	0	0	109.2	V15 E23 R26 I27 V30 G78 L79 F81 T92 F97	V15-W95 HydrophobicContact CG2-CB 4.06Å; V15-W95 HydrophobicContact CG2-CG 4.26Å; E23-W95 PolarHBondContact OE2-NE1 3Å; R26-W95 HydrophobicContact CB-CZ2 4.43Å; I27-W95 HydrophobicContact CD1-CB 4.26Å; I27-W95 HydrophobicContact CD1-CD2 3.85Å; I27-W95 HydrophobicContact CD1-CE3 4.35Å; I27-W95 HydrophobicContact CD1-CG 3.8Å; I27-W95 HydrophobicContact CG1-CD2 3.78Å; I27-W95 HydrophobicContact CG1-CE3 4.06Å; I27-W95 HydrophobicContact CG1-CG 4.25Å; I27-W95 HydrophobicContact CG1-CH2 4.41Å; I27-W95 HydrophobicContact CG1-CZ2 4.13Å; I27-W95 HydrophobicContact CG1-CZ3 4.37Å; V30-W95 HydrophobicContact CG2-CH2 4.06Å; G78-W95 WeakPolarHBondContact CA-O 3.36Å; L79-W95 PolarHBondContact N-O 2.85Å; L79-W95 PolarHBondContact O-N 3.03Å; F81-W95 AromaticContact CD2-CE3 3.53Å; F81-W95 HydrophobicContact CD2-CE3 3.53Å; F81-W95 AromaticContact CD2-CZ3 3.43Å; F81-W95 HydrophobicContact CD2-CZ3 3.43Å; F81-W95 VanDerWaalsContact CD2-CZ3 3.43Å; F81-W95 AromaticContact CE2-CE3 3.59Å; F81-W95 HydrophobicContact CE2-CE3 3.59Å; F81-W95 AromaticContact CE2-CZ3 3.88Å; F81-W95 HydrophobicContact CE2-CZ3 3.88Å; F81-W95 HydrophobicContact CG-CZ3 4.3Å; T92-W95 HydrophobicContact CG2-CD2 4.06Å; T92-W95 HydrophobicContact CG2-CE3 4.36Å; T92-W95 HydrophobicContact CG2-CH2 4Å; T92-W95 HydrophobicContact CG2-CZ2 3.69Å; T92-W95 HydrophobicContact CG2-CZ3 4.32Å; T92-W95 WeakPolarHBondContact O-CH2 3.34Å; W95-F97 HydrophobicContact CB-CD2 4.44Å; W95-F97 HydrophobicContact CB-CE2 3.73Å; W95-F97 HydrophobicContact CB-CZ 3.92Å
96	Q	98.9	Very high	97.9	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.009	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	104	174.6	179.8	161.6	-75.7	0	0	108.5	I12 C13 E14 V15 Q76 N98	I12-Q96 HydrophobicContact CG2-CB 4.13Å; C13-Q96 PolarHBondContact O-N 3.43Å; E14-Q96 VanDerWaalsContact CD-NE2 3.33Å; E14-Q96 PolarHBondContact OE1-NE2 3.37Å; E14-Q96 PolarHBondContact OE2-NE2 2.92Å; V15-Q96 PolarHBondContact N-O 3.35Å; Q76-Q96 VanDerWaalsContact NE2-CD 3.27Å; Q96-N98 PolarHBondContact O-ND2 3.28Å
97	F	98.9	Very high	97.9	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122.7	177.3	-59.4	-88.1	0	0	0	109.6	V15 L20 L24 I27 Q76 L77 L79 W95 F99 I131 L136	V15-F97 HydrophobicContact CB-CD1 3.77Å; V15-F97 HydrophobicContact CB-CE1 4.14Å; V15-F97 HydrophobicContact CB-CG 4.39Å; V15-F97 HydrophobicContact CG1-CD1 3.81Å; V15-F97 HydrophobicContact CG1-CE1 3.95Å; V15-F97 HydrophobicContact CG2-CD1 4.1Å; V15-F97 HydrophobicContact CG2-CE1 4.08Å; L20-F97 HydrophobicContact CD1-CD1 3.94Å; L20-F97 HydrophobicContact CD1-CE1 3.88Å; L24-F97 HydrophobicContact CD2-CE1 3.65Å; L24-F97 HydrophobicContact CD2-CZ 4.13Å; I27-F97 HydrophobicContact CD1-CE1 4.48Å; I27-F97 HydrophobicContact CD1-CE2 4.44Å; I27-F97 HydrophobicContact CD1-CZ 3.61Å; Q76-F97 VanDerWaalsContact CA-O 3.23Å; Q76-F97 WeakPolarHBondContact CA-O 3.38Å; L77-F97 HydrophobicContact CB-CB 4.28Å; L77-F97 HydrophobicContact CB-CD2 4.41Å; L77-F97 HydrophobicContact CD2-CD2 4.17Å; L77-F97 HydrophobicContact CG-CD2 4.2Å; L77-F97 PolarHBondContact N-O 2.87Å; L77-F97 WeakPolarHBondContact O-CD2 3.13Å; L77-F97 PolarHBondContact O-N 3.45Å; L79-F97 HydrophobicContact CB-CE2 4.31Å; L79-F97 HydrophobicContact CD1-CE2 3.78Å; L79-F97 HydrophobicContact CD1-CZ 4.47Å; L79-F97 HydrophobicContact CG-CE2 4.01Å; W95-F97 HydrophobicContact CB-CD2 4.44Å; W95-F97 HydrophobicContact CB-CE2 3.73Å; W95-F97 HydrophobicContact CB-CZ 3.92Å; F97-F99 HydrophobicContact CB-CE2 4.27Å; F97-F99 HydrophobicContact CB-CZ 4.06Å; F97-I131 HydrophobicContact CB-CD1 3.98Å; F97-I131 HydrophobicContact CD1-CD1 3.95Å; F97-I131 HydrophobicContact CG-CD1 4.48Å; F97-L136 HydrophobicContact CD1-CD1 3.97Å; F97-L136 HydrophobicContact CE1-CD1 3.92Å
98	N	98.9	Very high	97.9	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	110.8	-179.6	-62	-73	0	0	0	109.8	E14 V15 W16 Q76 Q96 G130 I131	E14-N98 PolarHBondContact OE2-ND2 3.35Å; V15-N98 PolarHBondContact O-N 3.27Å; V15-N98 PolarHBondContact O-ND2 3.12Å; W16-N98 HydrophobicContact CD2-CB 3.81Å; W16-N98 VanDerWaalsContact CE2-ND2 3.33Å; W16-N98 HydrophobicContact CE3-CB 3.55Å; W16-N98 HydrophobicContact CH2-CB 3.42Å; W16-N98 VanDerWaalsContact CH2-CB 3.42Å; W16-N98 HydrophobicContact CZ2-CB 3.69Å; W16-N98 WeakPolarHBondContact CZ2-ND2 3.17Å; W16-N98 HydrophobicContact CZ3-CB 3.35Å; Q76-N98 PolarHBondContact NE2-OD1 2.85Å; Q96-N98 PolarHBondContact O-ND2 3.28Å; N98-G130 WeakPolarHBondContact O-CA 3.4Å; N98-I131 WeakPolarHBondContact O-CG1 3.48Å; N98-I131 PolarHBondContact O-N 3.3Å
99	F	98.9	Very high	97.8	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-89.1	156	-173.7	-64.1	-72.5	0	0	0	113.3	I74 I75 L77 F97 F101 H126 I131 T133 L136	I74-F99 HydrophobicContact CB-CD2 4.34Å; I74-F99 HydrophobicContact CD1-CD2 4.25Å; I74-F99 HydrophobicContact CD1-CE2 3.8Å; I74-F99 HydrophobicContact CG1-CD2 3.96Å; I74-F99 HydrophobicContact CG1-CE2 4.03Å; I74-F99 HydrophobicContact CG2-CB 4.3Å; I74-F99 HydrophobicContact CG2-CD2 3.59Å; I74-F99 HydrophobicContact CG2-CE2 3.95Å; I74-F99 HydrophobicContact CG2-CG 3.89Å; I75-F99 PolarHBondContact O-N 2.79Å; L77-F99 HydrophobicContact CB-CE2 3.56Å; L77-F99 HydrophobicContact CB-CZ 3.96Å; L77-F99 HydrophobicContact CD2-CZ 4.42Å; F97-F99 HydrophobicContact CB-CE2 4.27Å; F97-F99 HydrophobicContact CB-CZ 4.06Å; F99-F101 PolarHBondContact O-N 2.99Å; F99-H126 WeakPolarHBondContact O-CB 3.27Å; F99-H126 PolarHBondContact O-ND1 2.84Å; F99-I131 WeakPolarHBondContact CA-O 3.28Å; F99-I131 HydrophobicContact CD1-CB 3.96Å; F99-I131 HydrophobicContact CD1-CG2 4.06Å; F99-I131 HydrophobicContact CE1-CB 4.41Å; F99-I131 HydrophobicContact CE1-CG2 4.14Å; F99-T133 HydrophobicContact CB-CG2 4.42Å; F99-T133 HydrophobicContact CD1-CG2 3.66Å; F99-T133 HydrophobicContact CE1-CG2 4.12Å; F99-T133 HydrophobicContact CG-CG2 4.11Å; F99-L136 HydrophobicContact CE1-CB 4.24Å; F99-L136 HydrophobicContact CE1-CD2 3.39Å; F99-L136 HydrophobicContact CE1-CG 4.41Å; F99-L136 HydrophobicContact CZ-CD2 3.35Å
100	K	98.9	Very high	97.7	Very high	85 Å²	85	46 Å²	46	37%	0.37	25%	0.25	S	S	.	.			trans	-63.7	122.6	175.3	-164	176.7	-173.8	70.6	0	110.9	H126 E127 I131 E132	K100-H126 WeakPolarHBondContact CA-O 3.4Å; K100-E127 PolarHBondContact NZ-O 3.22Å; K100-I131 PolarHBondContact N-O 3.11Å; K100-E132 WeakPolarHBondContact CD-OE1 3.37Å
101	F	98.8	Very high	97.8	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	25%	0.246	C	C	.	.			trans	-147.5	135.2	-178.8	-165.6	-90.4	0	0	0	110.4	P44 K73 I75 F99 L103 D106 I113 F123 H126 E127	P44-F101 HydrophobicContact CB-CZ 4.1Å; P44-F101 HydrophobicContact CG-CE2 4.02Å; P44-F101 HydrophobicContact CG-CZ 4.03Å; K73-F101 HydrophobicContact CB-CD2 3.95Å; K73-F101 HydrophobicContact CB-CE2 3.98Å; I75-F101 HydrophobicContact CD1-CD2 4.48Å; I75-F101 HydrophobicContact CD1-CE2 4.32Å; I75-F101 HydrophobicContact CD1-CZ 4.35Å; I75-F101 HydrophobicContact CG1-CD1 4.45Å; I75-F101 HydrophobicContact CG1-CD2 3.71Å; I75-F101 HydrophobicContact CG1-CE2 3.94Å; I75-F101 HydrophobicContact CG1-CG 3.99Å; I75-F101 HydrophobicContact CG1-CZ 4.42Å; F99-F101 PolarHBondContact O-N 2.99Å; F101-L103 HydrophobicContact CE1-CD2 3.95Å; F101-D106 HydrophobicContact CD2-CB 4.42Å; F101-D106 HydrophobicContact CE1-CB 4.25Å; F101-D106 HydrophobicContact CE2-CB 3.92Å; F101-D106 HydrophobicContact CZ-CB 3.82Å; F101-I113 HydrophobicContact CE1-CD1 4.26Å; F101-F123 AromaticContact CD1-CD1 3.97Å; F101-F123 HydrophobicContact CD1-CD1 3.97Å; F101-F123 HydrophobicContact CD1-CE1 4.01Å; F101-F123 HydrophobicContact CE1-CD1 4.48Å; F101-F123 HydrophobicContact CE1-CE1 4.23Å; F101-H126 HydrophobicContact CB-CB 4.21Å; F101-E127 VanDerWaalsContact O-CA 3.24Å; F101-E127 WeakPolarHBondContact O-CA 3.49Å; F101-E127 PolarHBondContact O-N 2.88Å
102	N	98.5	Very high	97.8	Very high	25 Å²	25	45.3 Å²	45.3	13%	0.134	23%	0.232	C	C	.	.			trans	-128.7	110.4	-175.9	-174.8	-17.3	0	0	0	111.1	T104 E105 D106 E127	N102-T104 PolarHBondContact O-N 3.41Å; N102-T104 VanDerWaalsContact OD1-CB 3.29Å; N102-T104 WeakPolarHBondContact OD1-CB 3.4Å; N102-T104 PolarHBondContact OD1-N 3.19Å; N102-T104 PolarHBondContact OD1-OG1 2.99Å; N102-E105 HydrophobicContact CB-CB 4.26Å; N102-E105 PolarHBondContact O-N 2.94Å; N102-D106 PolarHBondContact N-OD2 2.86Å; N102-D106 VanDerWaalsContact O-CB 3.31Å; N102-D106 WeakPolarHBondContact O-CB 3.48Å; N102-D106 PolarHBondContact O-N 2.82Å; N102-E127 HydrophobicContact CB-CG 4.23Å
103	L	97.9	Very high	97.7	Very high	59 Å²	59	44.5 Å²	44.5	31%	0.309	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-14.3	178.7	-70.2	171	0	0	0	114.5	F101 Y108 I113 F123	F101-L103 HydrophobicContact CE1-CD2 3.95Å; L103-Y108 HydrophobicContact CB-CE1 4.44Å; L103-Y108 HydrophobicContact CD2-CD1 3.98Å; L103-Y108 HydrophobicContact CD2-CE1 3.85Å; L103-Y108 HydrophobicContact CD2-CG 4.5Å; L103-Y108 WeakPolarHBondContact O-CE1 3.35Å; L103-I113 HydrophobicContact CD1-CG2 4.43Å; L103-I113 HydrophobicContact CD2-CD1 3.84Å; L103-I113 HydrophobicContact CD2-CG1 3.94Å; L103-I113 HydrophobicContact CD2-CG2 3.77Å; L103-F123 HydrophobicContact CD1-CB 3.73Å; L103-F123 HydrophobicContact CD1-CD1 4.24Å; L103-F123 HydrophobicContact CD1-CD2 4.23Å; L103-F123 HydrophobicContact CD1-CG 3.8Å; L103-F123 HydrophobicContact CD2-CD1 4.28Å; L103-F123 HydrophobicContact CD2-CE1 4.45Å; L103-F123 HydrophobicContact CG-CB 4.32Å; L103-F123 HydrophobicContact CG-CD1 4.16Å; L103-F123 HydrophobicContact CG-CG 4.24Å
104	T	97.8	Very high	97.7	Very high	128 Å²	128	49.3 Å²	49.3	79%	0.785	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-29.9	176.3	-48.5	0	0	0	0	112.1	N102	N102-T104 PolarHBondContact O-N 3.41Å; N102-T104 VanDerWaalsContact OD1-CB 3.29Å; N102-T104 WeakPolarHBondContact OD1-CB 3.4Å; N102-T104 PolarHBondContact OD1-N 3.19Å; N102-T104 PolarHBondContact OD1-OG1 2.99Å
105	E	96.9	Very high	97.5	Very high	153 Å²	153	52 Å²	52	72%	0.715	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-34.9	-171.5	-63.5	-176.2	161.1	0	0	112.9	N102	N102-E105 HydrophobicContact CB-CB 4.26Å; N102-E105 PolarHBondContact O-N 2.94Å
106	D	98.1	Very high	97.3	Very high	20 Å²	20	52 Å²	52	11%	0.107	26%	0.264	C	S	.	.	S	Bend	trans	-90.3	145.9	-171.2	-62.6	-39	0	0	0	111.9	K73 F101 N102 Y108	K73-D106 WeakPolarHBondContact CD-OD1 3.4Å; K73-D106 WeakPolarHBondContact CE-OD1 3.49Å; K73-D106 IonicContact NZ-OD1 2.8Å; K73-D106 PolarHBondContact NZ-OD1 2.89Å; K73-D106 IonicContact NZ-OD2 2.85Å; F101-D106 HydrophobicContact CD2-CB 4.42Å; F101-D106 HydrophobicContact CE1-CB 4.25Å; F101-D106 HydrophobicContact CE2-CB 3.92Å; F101-D106 HydrophobicContact CZ-CB 3.82Å; N102-D106 PolarHBondContact N-OD2 2.86Å; N102-D106 VanDerWaalsContact O-CB 3.31Å; N102-D106 WeakPolarHBondContact O-CB 3.48Å; N102-D106 PolarHBondContact O-N 2.82Å; D106-Y108 WeakPolarHBondContact O-CD1 3.45Å
107	M	97.8	Very high	97.2	Very high	99 Å²	99	55.4 Å²	55.4	49%	0.488	29%	0.285	S	S	.	.			trans	-77.6	146.5	174.6	-74.9	173.3	-73.9	0	0	111.2	L71 L72	L71-M107 HydrophobicContact CD1-CE 3.29Å; L71-M107 HydrophobicContact CD1-SD 3.9Å; L71-M107 HydrophobicContact CD2-CE 4.36Å; L71-M107 HydrophobicContact CD2-SD 4.13Å; L71-M107 HydrophobicContact CG-CE 3.53Å; L71-M107 HydrophobicContact CG-SD 3.95Å; L72-M107 HydrophobicContact CD2-CB 3.77Å; L72-M107 WeakPolarHBondContact CD2-O 3.22Å
108	Y	97.9	Very high	97.1	Very high	81 Å²	81	61.2 Å²	61.2	32%	0.318	32%	0.32	S	S	.	.			trans	-159.1	158.8	178.1	55.2	-96.2	0	0	0	112.9	P44 V47 L103 D106 I113	P44-Y108 VanDerWaalsContact CB-CB 3.44Å; V47-Y108 VanDerWaalsContact CG1-C 3.41Å; L103-Y108 HydrophobicContact CB-CE1 4.44Å; L103-Y108 HydrophobicContact CD2-CD1 3.98Å; L103-Y108 HydrophobicContact CD2-CE1 3.85Å; L103-Y108 HydrophobicContact CD2-CG 4.5Å; L103-Y108 WeakPolarHBondContact O-CE1 3.35Å; D106-Y108 WeakPolarHBondContact O-CD1 3.45Å; Y108-I113 HydrophobicContact CD1-CG1 4.36Å; Y108-I113 HydrophobicContact CD2-CB 4.28Å; Y108-I113 HydrophobicContact CD2-CD1 4.38Å; Y108-I113 HydrophobicContact CD2-CG1 3.34Å; Y108-I113 HydrophobicContact CE2-CG1 4.02Å; Y108-I113 HydrophobicContact CG-CD1 4.11Å; Y108-I113 HydrophobicContact CG-CG1 3.54Å
109	A	97.1	Very high	96.9	Very high	22 Å²	22	62.1 Å²	62.1	18%	0.182	33%	0.327	C	S	.	.			trans	-82.9	130.8	163	0	0	0	0	0	109.8	P44 V47 D111 S112 I113	P44-A109 WeakPolarHBondContact O-CB 3.43Å; P44-A109 PolarHBondContact O-N 2.82Å; V47-A109 HydrophobicContact CG1-CB 4.07Å; A109-D111 PolarHBondContact O-N 2.77Å; A109-S112 PolarHBondContact O-N 2.65Å; A109-I113 PolarHBondContact O-N 3.37Å
110	Q	94.9	Very high	96.8	Very high	97 Å²	97	64 Å²	64	45%	0.453	35%	0.346	S	S	.	.	H	α-helix	trans	-58.2	-49.1	-175.3	-176.6	63.2	31	0	0	111.9	S112 I113 E114	Q110-S112 VanDerWaalsContact C-N 3.25Å; Q110-S112 PolarHBondContact O-N 3.47Å; Q110-I113 PolarHBondContact O-N 3.22Å; Q110-I113 VanDerWaalsContact O-N 3.13Å; Q110-E114 WeakPolarHBondContact CG-OE1 3.43Å; Q110-E114 PolarHBondContact NE2-OE1 3.49Å; Q110-E114 PolarHBondContact O-N 3.31Å
111	D	95.3	Very high	96.7	Very high	124 Å²	124	60.4 Å²	60.4	66%	0.663	33%	0.331	S	S	*	.	H	α-helix	trans	-58.9	-37	-179	-59.8	-5.1	0	0	0	111.9	A109 E114 L115	A109-D111 PolarHBondContact O-N 2.77Å; D111-E114 PolarHBondContact O-N 3.16Å; D111-L115 WeakPolarHBondContact O-CB 3.42Å; D111-L115 PolarHBondContact O-N 2.91Å
112	S	94.3	Very high	96.7	Very high	20 Å²	20	66.2 Å²	66.2	14%	0.14	36%	0.358	C	S	.	.	H	α-helix	trans	-67.2	-42	177.4	-58.6	0	0	0	0	112.1	G45 A109 Q110 E114 L115 L116	G45-S112 WeakPolarHBondContact CA-OG 3.41Å; A109-S112 PolarHBondContact O-N 2.65Å; Q110-S112 VanDerWaalsContact C-N 3.25Å; Q110-S112 PolarHBondContact O-N 3.47Å; S112-E114 VanDerWaalsContact C-N 3.33Å; S112-E114 PolarHBondContact O-N 3.03Å; S112-L115 PolarHBondContact O-N 2.77Å; S112-L116 WeakPolarHBondContact O-CB 3.29Å; S112-L116 VanDerWaalsContact O-CG 3.23Å; S112-L116 WeakPolarHBondContact O-CG 2.84Å; S112-L116 PolarHBondContact O-N 2.99Å
113	I	96.9	Very high	96.7	Very high	11 Å²	11	65.8 Å²	65.8	6%	0.056	36%	0.355	C	S	.	.	H	α-helix	trans	-65.6	-38.6	176.3	-63.4	-54.7	0	0	0	111.2	P44 I75 F101 L103 Y108 A109 Q110 T117 F123	P44-I113 HydrophobicContact CB-CD1 4.14Å; I75-I113 HydrophobicContact CD1-CD1 4.37Å; F101-I113 HydrophobicContact CE1-CD1 4.26Å; L103-I113 HydrophobicContact CD1-CG2 4.43Å; L103-I113 HydrophobicContact CD2-CD1 3.84Å; L103-I113 HydrophobicContact CD2-CG1 3.94Å; L103-I113 HydrophobicContact CD2-CG2 3.77Å; Y108-I113 HydrophobicContact CD1-CG1 4.36Å; Y108-I113 HydrophobicContact CD2-CB 4.28Å; Y108-I113 HydrophobicContact CD2-CD1 4.38Å; Y108-I113 HydrophobicContact CD2-CG1 3.34Å; Y108-I113 HydrophobicContact CE2-CG1 4.02Å; Y108-I113 HydrophobicContact CG-CD1 4.11Å; Y108-I113 HydrophobicContact CG-CG1 3.54Å; A109-I113 PolarHBondContact O-N 3.37Å; Q110-I113 PolarHBondContact O-N 3.22Å; Q110-I113 VanDerWaalsContact O-N 3.13Å; I113-T117 VanDerWaalsContact O-CB 3.28Å; I113-T117 WeakPolarHBondContact O-CB 3.43Å; I113-T117 PolarHBondContact O-N 3.48Å; I113-T117 PolarHBondContact O-OG1 3.03Å; I113-F123 HydrophobicContact CD1-CE1 3.78Å; I113-F123 HydrophobicContact CD1-CE2 4.44Å; I113-F123 HydrophobicContact CD1-CZ 3.57Å; I113-F123 HydrophobicContact CG2-CD2 4.46Å; I113-F123 HydrophobicContact CG2-CE2 3.92Å; I113-F123 HydrophobicContact CG2-CZ 4.13Å
114	E	96.6	Very high	96.7	Very high	102 Å²	102	68.5 Å²	68.5	48%	0.477	37%	0.365	S	S	.	.	H	α-helix	trans	-65.5	-44.4	177	-70.8	179.3	-167.3	0	0	111.9	Q110 D111 S112 T117 T118	Q110-E114 WeakPolarHBondContact CG-OE1 3.43Å; Q110-E114 PolarHBondContact NE2-OE1 3.49Å; Q110-E114 PolarHBondContact O-N 3.31Å; D111-E114 PolarHBondContact O-N 3.16Å; S112-E114 VanDerWaalsContact C-N 3.33Å; S112-E114 PolarHBondContact O-N 3.03Å; E114-T117 PolarHBondContact O-N 2.8Å; E114-T118 WeakPolarHBondContact O-CB 3.48Å; E114-T118 PolarHBondContact O-N 3.46Å; E114-T118 PolarHBondContact O-OG1 2.94Å
115	L	95.1	Very high	96.7	Very high	56 Å²	56	65.1 Å²	65.1	29%	0.293	34%	0.339	S	S	.	.	H	α-helix	trans	-60.2	-50.3	174.8	178.8	65	0	0	0	111.3	D111 S112 T117 T118 S119 E280	D111-L115 WeakPolarHBondContact O-CB 3.42Å; D111-L115 PolarHBondContact O-N 2.91Å; S112-L115 PolarHBondContact O-N 2.77Å; L115-T117 VanDerWaalsContact C-N 3.33Å; L115-T117 PolarHBondContact O-N 3.22Å; L115-T118 WeakPolarHBondContact O-CB 3.34Å; L115-T118 PolarHBondContact O-N 3.23Å; L115-T118 VanDerWaalsContact O-N 3.16Å; L115-S119 WeakPolarHBondContact O-CB 3.32Å; L115-S119 PolarHBondContact O-N 3.34Å; L115-S119 PolarHBondContact O-OG 3.27Å; L115-E280 HydrophobicContact CD2-CG 3.85Å
116	L	95.9	Very high	96.8	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-63.5	-38.7	179.9	-73.1	175.7	0	0	0	112.2	E42 I75 S112 T118 S119 G120 I121 F123	E42-L116 HydrophobicContact CB-CD2 4Å; E42-L116 HydrophobicContact CG-CD2 4.04Å; E42-L116 WeakPolarHBondContact OE2-CD2 3.36Å; I75-L116 HydrophobicContact CD1-CD1 3.59Å; S112-L116 WeakPolarHBondContact O-CB 3.29Å; S112-L116 VanDerWaalsContact O-CG 3.23Å; S112-L116 WeakPolarHBondContact O-CG 2.84Å; S112-L116 PolarHBondContact O-N 2.99Å; L116-T118 VanDerWaalsContact C-N 3.34Å; L116-S119 CarbonylContact O-C 3.58Å; L116-S119 PolarHBondContact O-N 3.06Å; L116-G120 PolarHBondContact O-N 3.23Å; L116-I121 HydrophobicContact CB-CB 4.26Å; L116-I121 HydrophobicContact CB-CG1 3.91Å; L116-I121 HydrophobicContact CD2-CG1 4.15Å; L116-I121 VanDerWaalsContact O-CB 3.32Å; L116-I121 WeakPolarHBondContact O-CB 3.38Å; L116-I121 WeakPolarHBondContact O-CG1 3.45Å; L116-I121 PolarHBondContact O-N 2.83Å; L116-F123 HydrophobicContact CB-CE2 4.19Å; L116-F123 HydrophobicContact CB-CZ 3.98Å; L116-F123 HydrophobicContact CD1-CZ 4.29Å
117	T	96.3	Very high	96.9	Very high	74 Å²	74	59.9 Å²	59.9	45%	0.454	31%	0.314	S	S	.	.	H	α-helix	trans	-62	-44.4	173.8	-58.5	0	0	0	0	110.8	I113 E114 L115 S119 G120 F123	I113-T117 VanDerWaalsContact O-CB 3.28Å; I113-T117 WeakPolarHBondContact O-CB 3.43Å; I113-T117 PolarHBondContact O-N 3.48Å; I113-T117 PolarHBondContact O-OG1 3.03Å; E114-T117 PolarHBondContact O-N 2.8Å; L115-T117 VanDerWaalsContact C-N 3.33Å; L115-T117 PolarHBondContact O-N 3.22Å; T117-S119 PolarHBondContact O-N 3.25Å; T117-G120 PolarHBondContact O-N 3.41Å; T117-G120 VanDerWaalsContact O-N 3.09Å; T117-F123 WeakPolarHBondContact OG1-CE2 3.43Å
118	T	96.4	Very high	96.9	Very high	122 Å²	122	60.7 Å²	60.7	75%	0.748	32%	0.316	S	S	*	.	H	α-helix	trans	-63.5	-33.1	177.2	-57.4	0	0	0	0	111.7	E114 L115 L116 G120	E114-T118 WeakPolarHBondContact O-CB 3.48Å; E114-T118 PolarHBondContact O-N 3.46Å; E114-T118 PolarHBondContact O-OG1 2.94Å; L115-T118 WeakPolarHBondContact O-CB 3.34Å; L115-T118 PolarHBondContact O-N 3.23Å; L115-T118 VanDerWaalsContact O-N 3.16Å; L116-T118 VanDerWaalsContact C-N 3.34Å; T118-G120 PolarHBondContact O-N 3.11Å
119	S	94.2	Very high	96.9	Very high	21 Å²	21	60.8 Å²	60.8	15%	0.147	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-4.2	177.7	-53.4	0	0	0	0	113.2	L115 L116 T117 Q224 H225 Q226	L115-S119 WeakPolarHBondContact O-CB 3.32Å; L115-S119 PolarHBondContact O-N 3.34Å; L115-S119 PolarHBondContact O-OG 3.27Å; L116-S119 CarbonylContact O-C 3.58Å; L116-S119 PolarHBondContact O-N 3.06Å; T117-S119 PolarHBondContact O-N 3.25Å; S119-Q224 WeakPolarHBondContact CB-O 3.35Å; S119-H225 WeakPolarHBondContact CB-O 3.08Å; S119-H225 WeakPolarHBondContact OG-CB 3.46Å; S119-Q226 PolarHBondContact O-NE2 2.96Å
120	G	96.8	Very high	97	Very high	40 Å²	40	59.9 Å²	59.9	41%	0.412	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.4	11.2	170.9	0	0	0	0	0	115.3	L116 T117 T118 Q122	L116-G120 PolarHBondContact O-N 3.23Å; T117-G120 PolarHBondContact O-N 3.41Å; T117-G120 VanDerWaalsContact O-N 3.09Å; T118-G120 PolarHBondContact O-N 3.11Å; G120-Q122 PolarHBondContact O-N 3.43Å
121	I	97.6	Very high	97.2	Very high	9 Å²	9	55.3 Å²	55.3	5%	0.046	29%	0.292	C	S	.	.			trans	-65.4	125.8	175.6	-62.4	-61.2	0	0	0	110.7	I75 Q76 L116 F123 Q226	I75-I121 HydrophobicContact CG2-CG2 4.2Å; Q76-I121 HydrophobicContact CG-CD1 4.09Å; Q76-I121 VanDerWaalsContact NE2-CD1 3.28Å; L116-I121 HydrophobicContact CB-CB 4.26Å; L116-I121 HydrophobicContact CB-CG1 3.91Å; L116-I121 HydrophobicContact CD2-CG1 4.15Å; L116-I121 VanDerWaalsContact O-CB 3.32Å; L116-I121 WeakPolarHBondContact O-CB 3.38Å; L116-I121 WeakPolarHBondContact O-CG1 3.45Å; L116-I121 PolarHBondContact O-N 2.83Å; I121-F123 HydrophobicContact CB-CE2 4.11Å; I121-F123 HydrophobicContact CB-CZ 4.39Å; I121-F123 HydrophobicContact CG2-CD1 4.17Å; I121-F123 HydrophobicContact CG2-CD2 3.98Å; I121-F123 HydrophobicContact CG2-CE1 3.98Å; I121-F123 HydrophobicContact CG2-CE2 3.77Å; I121-F123 HydrophobicContact CG2-CG 4.17Å; I121-F123 HydrophobicContact CG2-CZ 3.77Å; I121-F123 PolarHBondContact O-N 3.01Å; I121-Q226 HydrophobicContact CD1-CG 4.01Å
122	Q	97.9	Very high	97.4	Very high	123 Å²	123	54.5 Å²	54.5	58%	0.575	28%	0.284	S	S	*	.			trans	-94.5	75.5	-179.5	-63.8	179.1	5.7	0	0	110.5	G120 K124 K125 H126	G120-Q122 PolarHBondContact O-N 3.43Å; Q122-K124 PolarHBondContact O-N 3.04Å; Q122-K125 HydrophobicContact CB-CB 3.98Å; Q122-K125 WeakPolarHBondContact O-CA 3.48Å; Q122-K125 WeakPolarHBondContact O-CB 3.23Å; Q122-K125 PolarHBondContact O-N 2.98Å; Q122-H126 PolarHBondContact O-CD2 2.82Å; Q122-H126 PolarHBondContact O-N 2.97Å; Q122-H126 VanDerWaalsContact O-N 3.13Å
123	F	98.4	Very high	97.6	Very high	17 Å²	17	55.6 Å²	55.6	8%	0.075	29%	0.29	C	S	.	.	H	α-helix	trans	-52.5	-33.5	-175.1	-76.9	-74	0	0	0	114.4	I75 F101 L103 I113 L116 T117 I121 K125 H126 E127	I75-F123 HydrophobicContact CD1-CE1 3.95Å; I75-F123 HydrophobicContact CD1-CZ 4.32Å; I75-F123 HydrophobicContact CG2-CE1 4.34Å; F101-F123 AromaticContact CD1-CD1 3.97Å; F101-F123 HydrophobicContact CD1-CD1 3.97Å; F101-F123 HydrophobicContact CD1-CE1 4.01Å; F101-F123 HydrophobicContact CE1-CD1 4.48Å; F101-F123 HydrophobicContact CE1-CE1 4.23Å; L103-F123 HydrophobicContact CD1-CB 3.73Å; L103-F123 HydrophobicContact CD1-CD1 4.24Å; L103-F123 HydrophobicContact CD1-CD2 4.23Å; L103-F123 HydrophobicContact CD1-CG 3.8Å; L103-F123 HydrophobicContact CD2-CD1 4.28Å; L103-F123 HydrophobicContact CD2-CE1 4.45Å; L103-F123 HydrophobicContact CG-CB 4.32Å; L103-F123 HydrophobicContact CG-CD1 4.16Å; L103-F123 HydrophobicContact CG-CG 4.24Å; I113-F123 HydrophobicContact CD1-CE1 3.78Å; I113-F123 HydrophobicContact CD1-CE2 4.44Å; I113-F123 HydrophobicContact CD1-CZ 3.57Å; I113-F123 HydrophobicContact CG2-CD2 4.46Å; I113-F123 HydrophobicContact CG2-CE2 3.92Å; I113-F123 HydrophobicContact CG2-CZ 4.13Å; L116-F123 HydrophobicContact CB-CE2 4.19Å; L116-F123 HydrophobicContact CB-CZ 3.98Å; L116-F123 HydrophobicContact CD1-CZ 4.29Å; T117-F123 WeakPolarHBondContact OG1-CE2 3.43Å; I121-F123 HydrophobicContact CB-CE2 4.11Å; I121-F123 HydrophobicContact CB-CZ 4.39Å; I121-F123 HydrophobicContact CG2-CD1 4.17Å; I121-F123 HydrophobicContact CG2-CD2 3.98Å; I121-F123 HydrophobicContact CG2-CE1 3.98Å; I121-F123 HydrophobicContact CG2-CE2 3.77Å; I121-F123 HydrophobicContact CG2-CG 4.17Å; I121-F123 HydrophobicContact CG2-CZ 3.77Å; I121-F123 PolarHBondContact O-N 3.01Å; F123-K125 VanDerWaalsContact C-N 3.3Å; F123-K125 PolarHBondContact O-N 3.37Å; F123-H126 WeakPolarHBondContact O-CB 3.38Å; F123-H126 PolarHBondContact O-N 3.37Å; F123-E127 PolarHBondContact O-N 2.96Å
124	K	98.5	Very high	97.6	Very high	115 Å²	115	59.2 Å²	59.2	50%	0.5	31%	0.309	S	S	.	.	H	α-helix	trans	-64	-37.1	176.1	-170.7	53.1	174.5	147.1	0	112.6	Q122 E127 E128	Q122-K124 PolarHBondContact O-N 3.04Å; K124-E127 VanDerWaalsContact CD-OE2 3.32Å; K124-E127 WeakPolarHBondContact CD-OE2 3.41Å; K124-E127 IonicContact NZ-OE1 3.51Å; K124-E127 PolarHBondContact NZ-OE1 3.18Å; K124-E127 IonicContact NZ-OE2 2.74Å; K124-E127 PolarHBondContact NZ-OE2 3.32Å; K124-E127 WeakPolarHBondContact O-CB 3.28Å; K124-E127 PolarHBondContact O-N 2.99Å; K124-E128 WeakPolarHBondContact CE-OE1 3.46Å; K124-E128 IonicContact NZ-OE1 3.15Å; K124-E128 PolarHBondContact NZ-OE1 3.09Å; K124-E128 WeakPolarHBondContact O-CG 3.25Å; K124-E128 PolarHBondContact O-N 3.36Å
125	K	98.7	Very high	97.7	Very high	57 Å²	57	58.7 Å²	58.7	25%	0.248	30%	0.303	C	S	.	.	H	α-helix	trans	-72.4	-37	176.1	-163.5	179.4	179.2	-163.3	0	111.7	W16 Q122 F123 E127 E128 E129 G130	W16-K125 HydrophobicContact CD2-CD 4.24Å; W16-K125 HydrophobicContact CD2-CG 4.48Å; W16-K125 VanDerWaalsContact CE2-NZ 3.27Å; W16-K125 HydrophobicContact CE3-CD 4.3Å; W16-K125 HydrophobicContact CE3-CG 4.07Å; W16-K125 HydrophobicContact CH2-CB 3.97Å; W16-K125 HydrophobicContact CH2-CD 3.68Å; W16-K125 HydrophobicContact CH2-CG 3.77Å; W16-K125 HydrophobicContact CZ2-CD 3.59Å; W16-K125 HydrophobicContact CZ2-CG 4.19Å; W16-K125 HydrophobicContact CZ3-CB 4.06Å; W16-K125 HydrophobicContact CZ3-CD 4.03Å; W16-K125 HydrophobicContact CZ3-CG 3.69Å; W16-K125 VanDerWaalsContact NE1-NZ 3.14Å; Q122-K125 HydrophobicContact CB-CB 3.98Å; Q122-K125 WeakPolarHBondContact O-CA 3.48Å; Q122-K125 WeakPolarHBondContact O-CB 3.23Å; Q122-K125 PolarHBondContact O-N 2.98Å; F123-K125 VanDerWaalsContact C-N 3.3Å; F123-K125 PolarHBondContact O-N 3.37Å; K125-E127 VanDerWaalsContact C-N 3.31Å; K125-E127 PolarHBondContact O-N 2.86Å; K125-E128 PolarHBondContact O-N 2.69Å; K125-E129 WeakPolarHBondContact CE-OE2 3.5Å; K125-E129 HydrophobicContact CG-CB 4.2Å; K125-E129 HydrophobicContact CG-CG 4.37Å; K125-E129 IonicContact NZ-OE2 3.91Å; K125-E129 WeakPolarHBondContact O-CA 3.4Å; K125-E129 PolarHBondContact O-N 3.37Å; K125-G130 PolarHBondContact O-N 3.29Å
126	H	98.9	Very high	97.9	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-58.1	-43.3	170.9	-78.4	-97.8	0	0	0	111.8	W16 I75 F99 K100 F101 Q122 F123 E128 G130	W16-H126 AromaticContact CH2-CD2 3.88Å; W16-H126 AromaticContact CH2-NE2 3.89Å; I75-H126 PolarHBondContact O-CE1 2.88Å; I75-H126 VanDerWaalsContact O-CE1 3.23Å; I75-H126 PolarHBondContact O-ND1 2.89Å; F99-H126 WeakPolarHBondContact O-CB 3.27Å; F99-H126 PolarHBondContact O-ND1 2.84Å; K100-H126 WeakPolarHBondContact CA-O 3.4Å; F101-H126 HydrophobicContact CB-CB 4.21Å; Q122-H126 PolarHBondContact O-CD2 2.82Å; Q122-H126 PolarHBondContact O-N 2.97Å; Q122-H126 VanDerWaalsContact O-N 3.13Å; F123-H126 WeakPolarHBondContact O-CB 3.38Å; F123-H126 PolarHBondContact O-N 3.37Å; H126-E128 VanDerWaalsContact C-N 3.34Å; H126-E128 PolarHBondContact O-N 2.68Å; H126-G130 WeakPolarHBondContact O-CA 3.42Å; H126-G130 PolarHBondContact O-N 3.14Å; H126-G130 VanDerWaalsContact O-N 3.14Å
127	E	98.8	Very high	98	Very high	62 Å²	62	56.4 Å²	56.4	29%	0.29	29%	0.293	S	S	.	.	H	α-helix	trans	-60.1	-44.2	178.1	-170.9	-165.6	159.3	0	0	112.1	K100 F101 N102 F123 K124 K125	K100-E127 PolarHBondContact NZ-O 3.22Å; F101-E127 VanDerWaalsContact O-CA 3.24Å; F101-E127 WeakPolarHBondContact O-CA 3.49Å; F101-E127 PolarHBondContact O-N 2.88Å; N102-E127 HydrophobicContact CB-CG 4.23Å; F123-E127 PolarHBondContact O-N 2.96Å; K124-E127 VanDerWaalsContact CD-OE2 3.32Å; K124-E127 WeakPolarHBondContact CD-OE2 3.41Å; K124-E127 IonicContact NZ-OE1 3.51Å; K124-E127 PolarHBondContact NZ-OE1 3.18Å; K124-E127 IonicContact NZ-OE2 2.74Å; K124-E127 PolarHBondContact NZ-OE2 3.32Å; K124-E127 WeakPolarHBondContact O-CB 3.28Å; K124-E127 PolarHBondContact O-N 2.99Å; K125-E127 VanDerWaalsContact C-N 3.31Å; K125-E127 PolarHBondContact O-N 2.86Å
128	E	98.6	Very high	98.1	Very high	116 Å²	116	59 Å²	59	54%	0.542	30%	0.3	S	S	.	.	H	α-helix	trans	-89.6	-41	-169.5	-66.9	178.5	169	0	0	113.7	K124 K125 H126	K124-E128 WeakPolarHBondContact CE-OE1 3.46Å; K124-E128 IonicContact NZ-OE1 3.15Å; K124-E128 PolarHBondContact NZ-OE1 3.09Å; K124-E128 WeakPolarHBondContact O-CG 3.25Å; K124-E128 PolarHBondContact O-N 3.36Å; K125-E128 PolarHBondContact O-N 2.69Å; H126-E128 VanDerWaalsContact C-N 3.34Å; H126-E128 PolarHBondContact O-N 2.68Å
129	E	98.8	Very high	98.2	Very high	83 Å²	83	54 Å²	54	39%	0.388	27%	0.268	S	S	.	.	H	α-helix	trans	-122.7	1.3	-167.8	-59.2	176.1	-151	0	0	113.1	W16 A17 K125	W16-E129 HydrophobicContact CE3-CB 4.1Å; A17-E129 WeakPolarHBondContact CB-O 3.48Å; A17-E129 PolarHBondContact N-O 3.15Å; K125-E129 WeakPolarHBondContact CE-OE2 3.5Å; K125-E129 HydrophobicContact CG-CB 4.2Å; K125-E129 HydrophobicContact CG-CG 4.37Å; K125-E129 IonicContact NZ-OE2 3.91Å; K125-E129 WeakPolarHBondContact O-CA 3.4Å; K125-E129 PolarHBondContact O-N 3.37Å
130	G	98.8	Very high	98.4	Very high	4 Å²	4	53.2 Å²	53.2	4%	0.041	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-65.2	149.6	-177.5	0	0	0	0	0	113.7	N98 K125 H126	N98-G130 WeakPolarHBondContact O-CA 3.4Å; K125-G130 PolarHBondContact O-N 3.29Å; H126-G130 WeakPolarHBondContact O-CA 3.42Å; H126-G130 PolarHBondContact O-N 3.14Å; H126-G130 VanDerWaalsContact O-N 3.14Å
131	I	98.9	Very high	98.5	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-69.3	135.3	179.1	-63.6	159	0	0	0	110.6	V15 L20 F97 N98 F99 K100 T133 L136	V15-I131 HydrophobicContact CB-CD1 4.26Å; V15-I131 HydrophobicContact CG1-CD1 4.04Å; V15-I131 WeakPolarHBondContact O-CD1 3.11Å; L20-I131 HydrophobicContact CD1-CD1 4.03Å; L20-I131 HydrophobicContact CD2-CG2 3.77Å; F97-I131 HydrophobicContact CB-CD1 3.98Å; F97-I131 HydrophobicContact CD1-CD1 3.95Å; F97-I131 HydrophobicContact CG-CD1 4.48Å; N98-I131 WeakPolarHBondContact O-CG1 3.48Å; N98-I131 PolarHBondContact O-N 3.3Å; F99-I131 WeakPolarHBondContact CA-O 3.28Å; F99-I131 HydrophobicContact CD1-CB 3.96Å; F99-I131 HydrophobicContact CD1-CG2 4.06Å; F99-I131 HydrophobicContact CE1-CB 4.41Å; F99-I131 HydrophobicContact CE1-CG2 4.14Å; K100-I131 PolarHBondContact N-O 3.11Å; I131-T133 PolarHBondContact O-N 2.83Å; I131-L136 HydrophobicContact CG2-CB 4.06Å
132	E	98.8	Very high	98.5	Very high	107 Å²	107	59.1 Å²	59.1	50%	0.5	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-72.5	121.8	166.3	-65.1	-65.5	172.4	0	0	110.1	K100 L134 Y135 L136	K100-E132 WeakPolarHBondContact CD-OE1 3.37Å; E132-L134 VanDerWaalsContact C-N 3.29Å; E132-L134 PolarHBondContact O-N 3.25Å; E132-Y135 PolarHBondContact O-N 3.31Å; E132-L136 PolarHBondContact O-N 2.91Å; E132-L136 VanDerWaalsContact O-N 3.16Å
133	T	98.6	Very high	98.5	Very high	43 Å²	43	53.6 Å²	53.6	26%	0.264	26%	0.262	S	S	.	.	H	α-helix	trans	-59.3	-38	-173.2	52.4	0	0	0	0	113	I74 F99 I131 Y135 L136 A137 I168	I74-T133 HydrophobicContact CG2-CG2 3.76Å; F99-T133 HydrophobicContact CB-CG2 4.42Å; F99-T133 HydrophobicContact CD1-CG2 3.66Å; F99-T133 HydrophobicContact CE1-CG2 4.12Å; F99-T133 HydrophobicContact CG-CG2 4.11Å; I131-T133 PolarHBondContact O-N 2.83Å; T133-Y135 VanDerWaalsContact C-N 3.33Å; T133-Y135 PolarHBondContact O-N 3.38Å; T133-L136 PolarHBondContact O-N 3.47Å; T133-A137 PolarHBondContact O-N 3.19Å; T133-I168 HydrophobicContact CG2-CD1 4.28Å; T133-I168 HydrophobicContact CG2-CG1 4.46Å
134	L	98.1	Very high	98.4	Very high	87 Å²	87	54 Å²	54	46%	0.455	27%	0.27	S	S	.	.	H	α-helix	trans	-67.8	-33	178.3	-63.1	-176.4	0	0	0	112.8	E132 A137 E138 N171	E132-L134 VanDerWaalsContact C-N 3.29Å; E132-L134 PolarHBondContact O-N 3.25Å; L134-A137 WeakPolarHBondContact O-CB 3.42Å; L134-A137 PolarHBondContact O-N 3.25Å; L134-E138 PolarHBondContact O-N 2.5Å; L134-N171 HydrophobicContact CD2-CB 3.89Å; L134-N171 VanDerWaalsContact CD2-CG 3.43Å; L134-N171 VanDerWaalsContact CD2-OD1 3.26Å; L134-N171 WeakPolarHBondContact CD2-OD1 3.46Å
135	Y	98.7	Very high	98.4	Very high	90 Å²	90	48.5 Å²	48.5	35%	0.353	25%	0.247	S	C	.	.	H	α-helix	trans	-71.8	-39.6	176.4	-172.5	-127.7	0	0	0	111	L20 D21 E132 T133 A137 E138 L139	L20-Y135 HydrophobicContact CD2-CD1 3.56Å; L20-Y135 HydrophobicContact CD2-CE1 3.89Å; D21-Y135 VanDerWaalsContact CG-OH 3.25Å; D21-Y135 PolarHBondContact OD1-OH 3.39Å; D21-Y135 VanDerWaalsContact OD1-OH 3.06Å; D21-Y135 PolarHBondContact OD2-OH 2.66Å; E132-Y135 PolarHBondContact O-N 3.31Å; T133-Y135 VanDerWaalsContact C-N 3.33Å; T133-Y135 PolarHBondContact O-N 3.38Å; Y135-A137 VanDerWaalsContact C-N 3.32Å; Y135-A137 PolarHBondContact O-N 3.41Å; Y135-E138 PolarHBondContact O-N 2.88Å; Y135-L139 HydrophobicContact CD1-CD1 4.39Å; Y135-L139 HydrophobicContact CE1-CD1 3.97Å; Y135-L139 HydrophobicContact CE2-CD1 4.49Å; Y135-L139 HydrophobicContact CE2-CG 4.4Å; Y135-L139 WeakPolarHBondContact O-CG 3.43Å; Y135-L139 PolarHBondContact O-N 3.45Å
136	L	98.5	Very high	98.4	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-58.5	-46	168.7	178.8	71.9	0	0	0	111.1	L20 L24 L77 F97 F99 I131 E132 T133 E138 L139 L140	L20-L136 HydrophobicContact CD1-CD1 3.79Å; L24-L136 HydrophobicContact CD2-CD1 4.2Å; L77-L136 HydrophobicContact CD2-CD2 4.2Å; F97-L136 HydrophobicContact CD1-CD1 3.97Å; F97-L136 HydrophobicContact CE1-CD1 3.92Å; F99-L136 HydrophobicContact CE1-CB 4.24Å; F99-L136 HydrophobicContact CE1-CD2 3.39Å; F99-L136 HydrophobicContact CE1-CG 4.41Å; F99-L136 HydrophobicContact CZ-CD2 3.35Å; I131-L136 HydrophobicContact CG2-CB 4.06Å; E132-L136 PolarHBondContact O-N 2.91Å; E132-L136 VanDerWaalsContact O-N 3.16Å; T133-L136 PolarHBondContact O-N 3.47Å; L136-E138 VanDerWaalsContact C-N 3.32Å; L136-E138 PolarHBondContact O-N 3.37Å; L136-L139 PolarHBondContact O-N 3.37Å; L136-L139 VanDerWaalsContact O-N 3.16Å; L136-L140 VanDerWaalsContact O-CB 3.29Å; L136-L140 WeakPolarHBondContact O-CB 3.32Å; L136-L140 PolarHBondContact O-N 3Å
137	A	98.5	Very high	98.3	Very high	9 Å²	9	49.7 Å²	49.7	7%	0.074	26%	0.256	C	S	.	.	H	α-helix	trans	-56.3	-46.2	-179.4	0	0	0	0	0	111.7	T133 L134 Y135 L139 L140 M141 I168	T133-A137 PolarHBondContact O-N 3.19Å; L134-A137 WeakPolarHBondContact O-CB 3.42Å; L134-A137 PolarHBondContact O-N 3.25Å; Y135-A137 VanDerWaalsContact C-N 3.32Å; Y135-A137 PolarHBondContact O-N 3.41Å; A137-L139 PolarHBondContact O-N 3.42Å; A137-L140 PolarHBondContact O-N 3.03Å; A137-M141 VanDerWaalsContact O-CB 3.3Å; A137-M141 WeakPolarHBondContact O-CB 3.5Å; A137-M141 PolarHBondContact O-N 2.95Å; A137-I168 HydrophobicContact CB-CG2 3.76Å
138	E	98.4	Very high	98.2	Very high	129 Å²	129	49.3 Å²	49.3	60%	0.603	26%	0.259	S	S	*	.	H	α-helix	trans	-56.1	-49.6	175.3	-178.7	-175	164.4	0	0	111.8	L134 Y135 L136	L134-E138 PolarHBondContact O-N 2.5Å; Y135-E138 PolarHBondContact O-N 2.88Å; L136-E138 VanDerWaalsContact C-N 3.32Å; L136-E138 PolarHBondContact O-N 3.37Å
139	L	98.4	Very high	98	Very high	15 Å²	15	52.8 Å²	52.8	8%	0.079	28%	0.275	C	S	.	.	H	α-helix	trans	-68.7	-37.1	-177.8	-65.7	179	0	0	0	112.7	L20 L24 R28 Y135 L136 A137	L20-L139 HydrophobicContact CD2-CD1 3.82Å; L20-L139 HydrophobicContact CG-CD1 3.86Å; L24-L139 HydrophobicContact CD1-CB 4.3Å; L24-L139 HydrophobicContact CG-CB 4.01Å; L24-L139 HydrophobicContact CG-CD1 4.23Å; R28-L139 PolarHBondContact NH2-O 3.48Å; Y135-L139 HydrophobicContact CD1-CD1 4.39Å; Y135-L139 HydrophobicContact CE1-CD1 3.97Å; Y135-L139 HydrophobicContact CE2-CD1 4.49Å; Y135-L139 HydrophobicContact CE2-CG 4.4Å; Y135-L139 WeakPolarHBondContact O-CG 3.43Å; Y135-L139 PolarHBondContact O-N 3.45Å; L136-L139 PolarHBondContact O-N 3.37Å; L136-L139 VanDerWaalsContact O-N 3.16Å; A137-L139 PolarHBondContact O-N 3.42Å
140	L	97.9	Very high	97.8	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-72.7	-37.3	-178.7	-161.8	67.2	0	0	0	111.3	L24 L136 A137 T142 S143 V145 V146 L169	L24-L140 HydrophobicContact CD1-CD1 4.47Å; L136-L140 VanDerWaalsContact O-CB 3.29Å; L136-L140 WeakPolarHBondContact O-CB 3.32Å; L136-L140 PolarHBondContact O-N 3Å; A137-L140 PolarHBondContact O-N 3.03Å; L140-T142 PolarHBondContact O-N 2.94Å; L140-T142 VanDerWaalsContact O-N 3.12Å; L140-S143 WeakPolarHBondContact O-CB 3.33Å; L140-S143 PolarHBondContact O-N 2.89Å; L140-S143 PolarHBondContact O-OG 3.32Å; L140-V145 HydrophobicContact CD1-CB 3.82Å; L140-V145 HydrophobicContact CD1-CG1 3.78Å; L140-V145 HydrophobicContact CD1-CG2 4.18Å; L140-V145 HydrophobicContact CG-CB 4.47Å; L140-V145 HydrophobicContact CG-CG1 4.4Å; L140-V146 HydrophobicContact CD2-CG1 4.29Å; L140-V146 HydrophobicContact CG-CG1 4.43Å; L140-L169 HydrophobicContact CD2-CD2 4.35Å
141	M	98.3	Very high	97.7	Very high	65 Å²	65	51.1 Å²	51.1	32%	0.32	28%	0.279	S	S	.	.	H	α-helix	trans	-53	-35.5	179.5	-167	65.9	66.7	0	0	113.1	A137 L147 L169 F188	A137-M141 VanDerWaalsContact O-CB 3.3Å; A137-M141 WeakPolarHBondContact O-CB 3.5Å; A137-M141 PolarHBondContact O-N 2.95Å; M141-L147 HydrophobicContact SD-CD1 3.45Å; M141-L147 WeakPolarHBondContact SD-CD1 3.33Å; M141-L169 HydrophobicContact CE-CB 4.49Å; M141-L169 HydrophobicContact CE-CD2 4.12Å; M141-L169 WeakPolarHBondContact CE-O 3.32Å; M141-F188 HydrophobicContact CE-CE1 3.78Å; M141-F188 HydrophobicContact CE-CZ 4.23Å; M141-F188 HydrophobicContact SD-CE1 3.84Å
142	T	97.1	Very high	97.7	Very high	109 Å²	109	52.9 Å²	52.9	67%	0.669	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	15.4	-177.7	59.4	0	0	0	0	113.3	L140	L140-T142 PolarHBondContact O-N 2.94Å; L140-T142 VanDerWaalsContact O-N 3.12Å
143	S	97.9	Very high	97.7	Very high	7 Å²	7	47.9 Å²	47.9	5%	0.049	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-21	-174.5	67.8	0	0	0	0	114.9	L140 V145	L140-S143 WeakPolarHBondContact O-CB 3.33Å; L140-S143 PolarHBondContact O-N 2.89Å; L140-S143 PolarHBondContact O-OG 3.32Å; S143-V145 VanDerWaalsContact OG-CB 3.26Å; S143-V145 WeakPolarHBondContact OG-CB 3.02Å; S143-V145 WeakPolarHBondContact OG-CG2 3.31Å; S143-V145 PolarHBondContact OG-N 2.7Å; S143-V145 VanDerWaalsContact OG-N 3.11Å
144	G	97.7	Very high	97.8	Very high	24 Å²	24	45.9 Å²	45.9	25%	0.247	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	91	-3.7	-167.8	0	0	0	0	0	114.7
145	V	98.3	Very high	97.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-79.3	-34.9	-178.9	169	0	0	0	0	112.7	I27 I31 I37 F81 L140 S143 W153	I27-V145 HydrophobicContact CG2-CG2 3.73Å; I31-V145 HydrophobicContact CB-CG2 4.35Å; I31-V145 HydrophobicContact CG1-CG2 4.11Å; I37-V145 HydrophobicContact CD1-CB 4.31Å; I37-V145 HydrophobicContact CD1-CG1 3.58Å; I37-V145 HydrophobicContact CD1-CG2 4.44Å; F81-V145 HydrophobicContact CE1-CG2 4.19Å; F81-V145 HydrophobicContact CZ-CG2 4.34Å; L140-V145 HydrophobicContact CD1-CB 3.82Å; L140-V145 HydrophobicContact CD1-CG1 3.78Å; L140-V145 HydrophobicContact CD1-CG2 4.18Å; L140-V145 HydrophobicContact CG-CB 4.47Å; L140-V145 HydrophobicContact CG-CG1 4.4Å; S143-V145 VanDerWaalsContact OG-CB 3.26Å; S143-V145 WeakPolarHBondContact OG-CB 3.02Å; S143-V145 WeakPolarHBondContact OG-CG2 3.31Å; S143-V145 PolarHBondContact OG-N 2.7Å; S143-V145 VanDerWaalsContact OG-N 3.11Å; V145-W153 HydrophobicContact CG1-CH2 3.87Å; V145-W153 HydrophobicContact CG1-CZ2 3.49Å; V145-W153 VanDerWaalsContact CG1-CZ2 3.49Å; V145-W153 WeakPolarHBondContact O-CZ2 3.22Å; V145-W153 PolarHBondContact O-NE1 3.5Å
146	V	98.4	Very high	97.8	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.012	21%	0.212	C	C	.	.	S	Bend	trans	-118.6	163.8	177	-62.1	0	0	0	0	110.1	L140 C148 W153 L169 F188 F189	L140-V146 HydrophobicContact CD2-CG1 4.29Å; L140-V146 HydrophobicContact CG-CG1 4.43Å; V146-C148 PolarHBondContact O-N 2.79Å; V146-C148 PolarHBondContact O-SG 2.94Å; V146-C148 VanDerWaalsContact O-SG 3.39Å; V146-W153 HydrophobicContact CG1-CZ2 3.95Å; V146-L169 HydrophobicContact CG1-CD1 4.12Å; V146-L169 HydrophobicContact CG2-CD2 4.45Å; V146-F188 HydrophobicContact CB-CD1 4.32Å; V146-F188 HydrophobicContact CG2-CD1 4.37Å; V146-F189 HydrophobicContact CG1-CD1 4.41Å; V146-F189 HydrophobicContact CG1-CE1 3.71Å; V146-F189 HydrophobicContact CG1-CZ 4.15Å
147	L	97.6	Very high	97.7	Very high	82 Å²	82	38 Å²	38	43%	0.429	22%	0.215	S	C	.	.	S	Bend	trans	62.1	-3.6	178.8	-58.4	167.8	0	0	0	115.6	M141 F188	M141-L147 HydrophobicContact SD-CD1 3.45Å; M141-L147 WeakPolarHBondContact SD-CD1 3.33Å; L147-F188 HydrophobicContact CD1-CD1 4.37Å; L147-F188 HydrophobicContact CD1-CE1 4.17Å; L147-F188 HydrophobicContact CD2-CD1 3.68Å; L147-F188 HydrophobicContact CD2-CE1 3.95Å; L147-F188 HydrophobicContact CD2-CG 4.14Å; L147-F188 HydrophobicContact CG-CD1 3.82Å; L147-F188 HydrophobicContact CG-CE1 4.1Å; L147-F188 PolarHBondContact N-O 3.43Å
148	C	95.8	Very high	97.7	Very high	53 Å²	53	37.6 Å²	37.6	36%	0.358	21%	0.211	S	C	.	.			trans	-101.1	131.3	-175	-64.1	0	0	0	0	111.2	V146 V151	V146-C148 PolarHBondContact O-N 2.79Å; V146-C148 PolarHBondContact O-SG 2.94Å; V146-C148 VanDerWaalsContact O-SG 3.39Å; C148-V151 HydrophobicContact CB-CG2 4.41Å
149	E	93.8	Very high	97.6	Very high	189 Å²	189	31.5 Å²	31.5	88%	0.883	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	149.6	171.4	-64.4	-177.8	-176.9	0	0	111.2	V151	E149-V151 VanDerWaalsContact C-N 3.31Å; E149-V151 PolarHBondContact O-N 3.16Å
150	G	94.5	Very high	97.6	Very high	44 Å²	44	31 Å²	31	45%	0.454	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	-8.3	178.2	0	0	0	0	0	115	N35	N35-G150 PolarHBondContact ND2-O 3.44Å
151	V	98.3	Very high	97.7	Very high	8 Å²	8	31.1 Å²	31.1	5%	0.048	18%	0.18	C	C	.	.			trans	-83.2	137.1	168.3	-176.7	0	0	0	0	109.9	I31 N35 I37 C148 E149	I31-V151 HydrophobicContact CD1-CG1 4.23Å; I31-V151 HydrophobicContact CD1-CG2 3.98Å; I31-V151 HydrophobicContact CG1-CG2 4.33Å; N35-V151 WeakPolarHBondContact O-CA 3.47Å; I37-V151 HydrophobicContact CD1-CG1 3.55Å; I37-V151 HydrophobicContact CG1-CG1 3.96Å; C148-V151 HydrophobicContact CB-CG2 4.41Å; E149-V151 VanDerWaalsContact C-N 3.31Å; E149-V151 PolarHBondContact O-N 3.16Å
152	K	98.8	Very high	97.7	Very high	39 Å²	39	28 Å²	28	17%	0.17	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	120.5	179.3	-62.7	174.3	176.6	176.3	0	109.6	N35 Y36 I37 E84 I191 Y193	N35-K152 PolarHBondContact O-N 2.83Å; Y36-K152 CarbonylContact C-O 3.59Å; Y36-K152 WeakPolarHBondContact CA-O 3.31Å; Y36-K152 HydrophobicContact CD1-CB 4Å; Y36-K152 HydrophobicContact CD1-CD 4.36Å; Y36-K152 HydrophobicContact CD2-CD 4.27Å; Y36-K152 HydrophobicContact CE1-CB 4.04Å; Y36-K152 HydrophobicContact CE1-CD 3.68Å; Y36-K152 HydrophobicContact CE2-CD 3.52Å; Y36-K152 HydrophobicContact CG-CB 4.3Å; Y36-K152 WeakPolarHBondContact OH-CD 3.08Å; Y36-K152 PolarHBondContact OH-NZ 3.26Å; I37-K152 PolarHBondContact N-O 2.91Å; E84-K152 IonicContact OE2-NZ 3.56Å; E84-K152 PolarHBondContact OE2-NZ 3.18Å; K152-I191 HydrophobicContact CB-CG2 4.21Å; K152-I191 HydrophobicContact CG-CB 4.21Å; K152-I191 HydrophobicContact CG-CD1 4.01Å; K152-I191 HydrophobicContact CG-CG2 3.92Å; K152-Y193 HydrophobicContact CD-CE2 4.5Å
153	W	98.9	Very high	97.8	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.008	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132.6	179.9	-72.8	74.5	0	0	0	110.8	I37 M39 L79 V145 V146 F162 L165 F189 I191 I192 Y193	I37-W153 HydrophobicContact CB-CD2 4.32Å; I37-W153 HydrophobicContact CB-CE3 4.42Å; I37-W153 HydrophobicContact CD1-CZ2 3.97Å; I37-W153 HydrophobicContact CG2-CE3 4.18Å; I37-W153 HydrophobicContact CG2-CH2 4.24Å; I37-W153 HydrophobicContact CG2-CZ3 4.04Å; I37-W153 CarbonylContact O-C 3.56Å; I37-W153 WeakPolarHBondContact O-CA 3.4Å; M39-W153 HydrophobicContact CB-CE3 3.96Å; M39-W153 HydrophobicContact CB-CZ3 3.86Å; M39-W153 HydrophobicContact CG-CE3 4.44Å; M39-W153 HydrophobicContact CG-CZ3 3.95Å; L79-W153 HydrophobicContact CD2-CH2 4.01Å; L79-W153 HydrophobicContact CD2-CZ3 3.75Å; V145-W153 HydrophobicContact CG1-CH2 3.87Å; V145-W153 HydrophobicContact CG1-CZ2 3.49Å; V145-W153 VanDerWaalsContact CG1-CZ2 3.49Å; V145-W153 WeakPolarHBondContact O-CZ2 3.22Å; V145-W153 PolarHBondContact O-NE1 3.5Å; V146-W153 HydrophobicContact CG1-CZ2 3.95Å; W153-F162 HydrophobicContact CB-CZ 4.16Å; W153-F162 HydrophobicContact CE3-CE1 4.26Å; W153-F162 HydrophobicContact CE3-CZ 4.48Å; W153-L165 HydrophobicContact CH2-CD1 4.48Å; W153-L165 HydrophobicContact CZ3-CD1 4.1Å; W153-F189 AromaticContact CD1-CD1 3.88Å; W153-F189 AromaticContact CD2-CD1 3.68Å; W153-F189 HydrophobicContact CD2-CD1 3.68Å; W153-F189 HydrophobicContact CD2-CE1 4.03Å; W153-F189 AromaticContact CE2-CD1 3.41Å; W153-F189 VanDerWaalsContact CE2-CD1 3.41Å; W153-F189 AromaticContact CE2-CE1 3.63Å; W153-F189 HydrophobicContact CE3-CD1 4.27Å; W153-F189 HydrophobicContact CE3-CE1 4.24Å; W153-F189 AromaticContact CG-CD1 3.99Å; W153-F189 HydrophobicContact CG-CD1 3.99Å; W153-F189 HydrophobicContact CH2-CD1 4.35Å; W153-F189 AromaticContact CH2-CE1 3.73Å; W153-F189 HydrophobicContact CH2-CE1 3.73Å; W153-F189 AromaticContact CZ2-CD1 3.77Å; W153-F189 HydrophobicContact CZ2-CD1 3.77Å; W153-F189 AromaticContact CZ2-CE1 3.48Å; W153-F189 HydrophobicContact CZ2-CE1 3.48Å; W153-F189 VanDerWaalsContact CZ2-CE1 3.48Å; W153-F189 HydrophobicContact CZ3-CE1 4.11Å; W153-F189 AromaticContact NE1-CD1 3.55Å; W153-I191 WeakPolarHBondContact CB-O 3.32Å; W153-I191 PolarHBondContact N-O 3.18Å; W153-I192 HydrophobicContact CB-CG1 4.18Å; W153-I192 CarbonylContact O-C 3.55Å; W153-I192 WeakPolarHBondContact O-CA 3.3Å; W153-Y193 PolarHBondContact O-N 3.13Å
154	L	98.9	Very high	97.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.6	176.1	-47.5	177.8	0	0	0	107.9	Y36 I37 A38 M39 M82 Y193 F238 F239	Y36-L154 HydrophobicContact CD1-CD1 3.93Å; Y36-L154 HydrophobicContact CD1-CD2 3.92Å; Y36-L154 HydrophobicContact CD1-CG 4.09Å; Y36-L154 HydrophobicContact CE1-CD2 4.26Å; I37-L154 PolarHBondContact O-N 2.83Å; A38-L154 CarbonylContact C-O 3.53Å; A38-L154 VanDerWaalsContact CA-O 3.28Å; A38-L154 WeakPolarHBondContact CA-O 3.34Å; A38-L154 HydrophobicContact CB-CB 4.01Å; A38-L154 HydrophobicContact CB-CD1 4.38Å; M39-L154 PolarHBondContact N-O 3.47Å; M82-L154 HydrophobicContact CE-CD1 3.8Å; L154-Y193 HydrophobicContact CD2-CD2 3.83Å; L154-F238 HydrophobicContact CD1-CB 3.91Å; L154-F238 HydrophobicContact CD1-CD1 3.42Å; L154-F238 VanDerWaalsContact CD1-CD1 3.42Å; L154-F238 HydrophobicContact CD1-CE1 4.05Å; L154-F238 HydrophobicContact CD1-CG 3.68Å; L154-F238 HydrophobicContact CD2-CD1 3.69Å; L154-F238 HydrophobicContact CD2-CD2 3.67Å; L154-F238 HydrophobicContact CD2-CE1 3.67Å; L154-F238 HydrophobicContact CD2-CE2 3.63Å; L154-F238 HydrophobicContact CD2-CG 3.69Å; L154-F238 HydrophobicContact CD2-CZ 3.63Å; L154-F238 HydrophobicContact CG-CD1 4.16Å; L154-F238 HydrophobicContact CG-CG 4.17Å; L154-F239 HydrophobicContact CD1-CE2 3.99Å
155	S	98.8	Very high	97.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	175.1	-176.2	64.5	0	0	0	0	110.6	S158 Y193 V195	S155-S158 WeakPolarHBondContact CB-OG 3.47Å; S155-S158 WeakPolarHBondContact OG-CB 3.3Å; S155-S158 PolarHBondContact OG-OG 3.44Å; S155-Y193 PolarHBondContact N-O 2.87Å; S155-Y193 VanDerWaalsContact N-O 3.13Å; S155-V195 WeakPolarHBondContact O-CB 3.41Å; S155-V195 WeakPolarHBondContact O-CG2 3.38Å; S155-V195 PolarHBondContact O-N 2.86Å
156	F	98.4	Very high	97.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-138.8	120.7	176.6	-171.6	-82.9	0	0	0	109.4	S158 V195 K196 M199 L209 V212 T234 E278	F156-S158 VanDerWaalsContact C-N 3.3Å; F156-S158 PolarHBondContact O-N 3.37Å; F156-V195 HydrophobicContact CD2-CB 3.81Å; F156-V195 HydrophobicContact CD2-CG1 3.7Å; F156-V195 HydrophobicContact CE2-CG1 4.07Å; F156-K196 HydrophobicContact CE1-CD 3.76Å; F156-K196 HydrophobicContact CE2-CB 4.47Å; F156-K196 HydrophobicContact CE2-CD 4.12Å; F156-K196 HydrophobicContact CZ-CB 4.47Å; F156-K196 HydrophobicContact CZ-CD 3.5Å; F156-M199 HydrophobicContact CE2-SD 3.6Å; F156-M199 VanDerWaalsContact CE2-SD 3.6Å; F156-M199 HydrophobicContact CZ-SD 4.14Å; F156-L209 HydrophobicContact CB-CD1 4.4Å; F156-L209 HydrophobicContact CD1-CB 3.95Å; F156-L209 HydrophobicContact CD2-CB 4.43Å; F156-L209 HydrophobicContact CD2-CD1 3.8Å; F156-L209 HydrophobicContact CE1-CB 3.91Å; F156-L209 VanDerWaalsContact CE1-N 3.3Å; F156-L209 HydrophobicContact CE2-CB 4.41Å; F156-L209 HydrophobicContact CE2-CD1 4.2Å; F156-L209 HydrophobicContact CG-CB 4.22Å; F156-L209 HydrophobicContact CG-CD1 4.06Å; F156-L209 HydrophobicContact CZ-CB 4.15Å; F156-L209 VanDerWaalsContact CZ-N 3.31Å; F156-V212 HydrophobicContact CE2-CB 4.45Å; F156-V212 HydrophobicContact CE2-CG2 4.16Å; F156-V212 HydrophobicContact CZ-CG2 4.2Å; F156-T234 HydrophobicContact CB-CG2 4.24Å; F156-E278 WeakPolarHBondContact CE1-OE1 3.14Å
157	H	97	Very high	97.9	Very high	17 Å²	17	23.7 Å²	23.7	8%	0.079	13%	0.129	C	C	.	.	S	Bend	trans	53.5	47.6	178	-155.6	153.5	0	0	0	113	G159 D194 K196 Y260 N275 A276 Y277 E278	H157-G159 PolarHBondContact O-N 2.63Å; H157-D194 PolarHBondContact N-OD1 2.67Å; H157-D194 PolarHBondContact N-OD2 3.46Å; H157-K196 HydrophobicContact CB-CB 4.23Å; H157-K196 HydrophobicContact CB-CG 4.27Å; H157-Y260 AromaticContact CD2-CD1 3.66Å; H157-Y260 AromaticContact CE1-CD1 3.83Å; H157-Y260 AromaticContact CE1-CE1 3.84Å; H157-Y260 AromaticContact CG-CD1 4Å; H157-Y260 AromaticContact NE2-CD1 3.55Å; H157-Y260 AromaticContact NE2-CE1 3.92Å; H157-N275 PolarHBondContact CE1-O 3.09Å; H157-N275 PolarHBondContact NE2-O 3.35Å; H157-A276 PolarHBondContact CD2-O 2.88Å; H157-A276 PolarHBondContact NE2-O 3.23Å; H157-Y277 PolarHBondContact CE1-O 3.15Å; H157-Y277 VanDerWaalsContact CE1-O 3.3Å; H157-Y277 PolarHBondContact NE2-O 2.83Å; H157-E278 HydrophobicContact CB-CB 4.36Å
158	S	97.9	Very high	98	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.112	C	C	.	.			trans	-98.6	21.6	-149.9	59	0	0	0	0	116.7	S155 F156 Y160 D161 F162 D194	S155-S158 WeakPolarHBondContact CB-OG 3.47Å; S155-S158 WeakPolarHBondContact OG-CB 3.3Å; S155-S158 PolarHBondContact OG-OG 3.44Å; F156-S158 VanDerWaalsContact C-N 3.3Å; F156-S158 PolarHBondContact O-N 3.37Å; S158-Y160 PolarHBondContact O-N 3.45Å; S158-D161 VanDerWaalsContact CA-OD2 3.23Å; S158-D161 WeakPolarHBondContact CA-OD2 3.38Å; S158-D161 WeakPolarHBondContact CB-OD2 3.4Å; S158-D161 PolarHBondContact O-N 3.31Å; S158-F162 WeakPolarHBondContact O-CD2 3.49Å; S158-F162 PolarHBondContact O-N 3.04Å; S158-F162 VanDerWaalsContact O-N 3.17Å; S158-D194 PolarHBondContact N-OD2 3.28Å; S158-D194 PolarHBondContact OG-OD2 3.43Å
159	G	97.6	Very high	98.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-55.4	-55.4	-179.5	0	0	0	0	0	111.4	L65 H157 G163	L65-G159 WeakPolarHBondContact CD1-O 3.41Å; H157-G159 PolarHBondContact O-N 2.63Å; G159-G163 PolarHBondContact O-N 3.09Å
160	Y	98.4	Very high	98.3	Very high	6 Å²	6	11.2 Å²	11.2	2%	0.024	7%	0.068	C	C	.	.	H	α-helix	trans	-66	-39.1	-178.5	-82.1	-106.8	0	0	0	112.5	F43 V46 L65 N68 V69 S158 F162 G163 Y164 Y277	F43-Y160 HydrophobicContact CE1-CG 4.45Å; F43-Y160 AromaticContact CE2-CD1 3.76Å; F43-Y160 HydrophobicContact CE2-CD1 3.76Å; F43-Y160 HydrophobicContact CE2-CE1 4.35Å; F43-Y160 HydrophobicContact CE2-CG 4.37Å; F43-Y160 AromaticContact CZ-CD1 3.63Å; F43-Y160 HydrophobicContact CZ-CD1 3.63Å; F43-Y160 AromaticContact CZ-CG 3.77Å; F43-Y160 HydrophobicContact CZ-CG 3.77Å; V46-Y160 HydrophobicContact CG2-CE1 3.92Å; L65-Y160 WeakPolarHBondContact CA-OH 3.37Å; L65-Y160 HydrophobicContact CB-CD2 4.34Å; L65-Y160 HydrophobicContact CB-CE1 4.48Å; L65-Y160 HydrophobicContact CB-CE2 3.86Å; L65-Y160 HydrophobicContact CD1-CD2 4.06Å; L65-Y160 HydrophobicContact CD1-CE2 4.33Å; L65-Y160 HydrophobicContact CG-CD1 4.37Å; L65-Y160 HydrophobicContact CG-CD2 3.98Å; L65-Y160 HydrophobicContact CG-CE1 4.44Å; L65-Y160 HydrophobicContact CG-CE2 4.01Å; L65-Y160 HydrophobicContact CG-CG 4.17Å; N68-Y160 HydrophobicContact CB-CE1 4.1Å; V69-Y160 HydrophobicContact CG2-CD1 3.79Å; V69-Y160 HydrophobicContact CG2-CE1 4.28Å; V69-Y160 HydrophobicContact CG2-CG 4.49Å; S158-Y160 PolarHBondContact O-N 3.45Å; Y160-F162 PolarHBondContact O-N 3.06Å; Y160-G163 CarbonylContact O-C 3.55Å; Y160-G163 WeakPolarHBondContact O-CA 3.48Å; Y160-G163 PolarHBondContact O-N 3.31Å; Y160-G163 VanDerWaalsContact O-N 3.07Å; Y160-Y164 VanDerWaalsContact O-CD2 3.27Å; Y160-Y164 WeakPolarHBondContact O-CD2 3.45Å; Y160-Y164 PolarHBondContact O-N 2.89Å; Y160-Y277 HydrophobicContact CD1-CD2 4.45Å; Y160-Y277 HydrophobicContact CD2-CD2 4.11Å; Y160-Y277 HydrophobicContact CE1-CD2 4.22Å; Y160-Y277 AromaticContact CE2-CD2 3.89Å; Y160-Y277 HydrophobicContact CE2-CD2 3.89Å; Y160-Y277 HydrophobicContact CE2-CG 4.21Å; Y160-Y277 HydrophobicContact CG-CD2 4.39Å; Y160-Y277 AromaticContact CZ-CD2 3.92Å
161	D	98.8	Very high	98.4	Very high	7 Å²	7	14.4 Å²	14.4	4%	0.037	7%	0.074	C	C	.	.	H	α-helix	trans	-57.8	-50.9	179.6	-53.7	-39.9	0	0	0	111.8	M39 T41 S158 G163 Y164 L165	M39-D161 HydrophobicContact CE-CB 3.59Å; M39-D161 HydrophobicContact SD-CB 3.69Å; T41-D161 HydrophobicContact CG2-CB 3.98Å; T41-D161 PolarHBondContact N-OD1 2.82Å; T41-D161 PolarHBondContact OG1-OD1 2.83Å; S158-D161 VanDerWaalsContact CA-OD2 3.23Å; S158-D161 WeakPolarHBondContact CA-OD2 3.38Å; S158-D161 WeakPolarHBondContact CB-OD2 3.4Å; S158-D161 PolarHBondContact O-N 3.31Å; D161-G163 VanDerWaalsContact C-N 3.29Å; D161-G163 PolarHBondContact O-N 2.82Å; D161-Y164 PolarHBondContact O-N 3.37Å; D161-L165 PolarHBondContact O-N 2.98Å
162	F	98.8	Very high	98.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-69	-30.3	176	-77.1	-64.6	0	0	0	112.2	M39 W153 S158 Y160 L165 I166 F181 L185 F189 I192 L259	M39-F162 HydrophobicContact CE-CD1 4.26Å; M39-F162 HydrophobicContact CE-CD2 4.4Å; M39-F162 HydrophobicContact CE-CE1 3.97Å; M39-F162 HydrophobicContact CE-CE2 4.12Å; M39-F162 HydrophobicContact CE-CG 4.46Å; M39-F162 HydrophobicContact CE-CZ 3.9Å; W153-F162 HydrophobicContact CB-CZ 4.16Å; W153-F162 HydrophobicContact CE3-CE1 4.26Å; W153-F162 HydrophobicContact CE3-CZ 4.48Å; S158-F162 WeakPolarHBondContact O-CD2 3.49Å; S158-F162 PolarHBondContact O-N 3.04Å; S158-F162 VanDerWaalsContact O-N 3.17Å; Y160-F162 PolarHBondContact O-N 3.06Å; F162-L165 HydrophobicContact CD1-CD1 4.28Å; F162-L165 HydrophobicContact CE1-CD1 4.49Å; F162-L165 PolarHBondContact O-N 3.47Å; F162-I166 WeakPolarHBondContact O-CB 3.23Å; F162-I166 VanDerWaalsContact O-CG1 3.28Å; F162-I166 WeakPolarHBondContact O-CG1 3.28Å; F162-I166 PolarHBondContact O-N 2.83Å; F162-F181 HydrophobicContact CB-CZ 4.44Å; F162-L185 HydrophobicContact CB-CD1 3.7Å; F162-L185 HydrophobicContact CD1-CD1 3.82Å; F162-L185 HydrophobicContact CG-CD1 3.9Å; F162-F189 HydrophobicContact CD1-CD1 4.41Å; F162-F189 AromaticContact CD1-CD2 3.95Å; F162-F189 HydrophobicContact CD1-CD2 3.95Å; F162-F189 HydrophobicContact CD1-CE1 4.47Å; F162-F189 HydrophobicContact CD1-CE2 4.02Å; F162-F189 HydrophobicContact CD1-CG 4.15Å; F162-F189 HydrophobicContact CD1-CZ 4.29Å; F162-F189 HydrophobicContact CE1-CB 4.36Å; F162-F189 AromaticContact CE1-CD1 3.86Å; F162-F189 HydrophobicContact CE1-CD1 3.86Å; F162-F189 HydrophobicContact CE1-CD2 4.14Å; F162-F189 HydrophobicContact CE1-CE1 4.15Å; F162-F189 HydrophobicContact CE1-CE2 4.41Å; F162-F189 AromaticContact CE1-CG 3.85Å; F162-F189 HydrophobicContact CE1-CG 3.85Å; F162-F189 HydrophobicContact CE1-CZ 4.42Å; F162-I192 HydrophobicContact CD1-CD1 4.23Å; F162-I192 HydrophobicContact CD2-CD1 4.35Å; F162-I192 HydrophobicContact CE1-CD1 3.86Å; F162-I192 HydrophobicContact CE1-CG1 4.14Å; F162-I192 HydrophobicContact CE2-CD1 3.99Å; F162-I192 HydrophobicContact CE2-CG1 4.27Å; F162-I192 HydrophobicContact CE2-CG2 3.52Å; F162-I192 HydrophobicContact CG-CD1 4.47Å; F162-I192 HydrophobicContact CZ-CB 4.37Å; F162-I192 HydrophobicContact CZ-CD1 3.73Å; F162-I192 HydrophobicContact CZ-CG1 3.75Å; F162-I192 HydrophobicContact CZ-CG2 3.69Å; F162-L259 HydrophobicContact CB-CD1 4.32Å; F162-L259 HydrophobicContact CD2-CD1 4.18Å; F162-L259 HydrophobicContact CD2-CD2 3.68Å; F162-L259 HydrophobicContact CE2-CD2 3.92Å
163	G	98.7	Very high	98.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-54.6	-53.6	168	0	0	0	0	0	111.8	G159 Y160 D161 L165 I166 K167 L174	G159-G163 PolarHBondContact O-N 3.09Å; Y160-G163 CarbonylContact O-C 3.55Å; Y160-G163 WeakPolarHBondContact O-CA 3.48Å; Y160-G163 PolarHBondContact O-N 3.31Å; Y160-G163 VanDerWaalsContact O-N 3.07Å; D161-G163 VanDerWaalsContact C-N 3.29Å; D161-G163 PolarHBondContact O-N 2.82Å; G163-L165 PolarHBondContact O-N 2.94Å; G163-I166 PolarHBondContact O-N 2.9Å; G163-K167 WeakPolarHBondContact O-CB 3.43Å; G163-K167 PolarHBondContact O-N 3.25Å; G163-L174 WeakPolarHBondContact O-CD2 3.17Å
164	Y	98.9	Very high	98.4	Very high	2 Å²	2	21 Å²	21	1%	0.008	12%	0.117	C	C	.	.	H	α-helix	trans	-62.3	-43.7	177.9	-79.7	-72.7	0	0	0	112.2	F43 V69 L72 I74 Y160 D161 I166 K167 I168	F43-Y164 HydrophobicContact CB-CD2 4.37Å; F43-Y164 HydrophobicContact CB-CE1 4.48Å; F43-Y164 HydrophobicContact CB-CE2 3.56Å; F43-Y164 WeakPolarHBondContact CB-OH 3.48Å; F43-Y164 HydrophobicContact CD1-CD2 4.03Å; F43-Y164 AromaticContact CD1-CE2 3.51Å; F43-Y164 HydrophobicContact CD1-CE2 3.51Å; F43-Y164 AromaticContact CD2-CE2 3.64Å; F43-Y164 HydrophobicContact CD2-CE2 3.64Å; F43-Y164 AromaticContact CD2-CZ 3.93Å; F43-Y164 WeakPolarHBondContact CD2-OH 3.38Å; F43-Y164 HydrophobicContact CE1-CE2 4.05Å; F43-Y164 HydrophobicContact CE2-CE2 4.16Å; F43-Y164 HydrophobicContact CG-CD2 4.19Å; F43-Y164 AromaticContact CG-CE2 3.28Å; F43-Y164 HydrophobicContact CG-CE2 3.28Å; F43-Y164 AromaticContact CG-CZ 3.75Å; F43-Y164 HydrophobicContact CZ-CE2 4.35Å; V69-Y164 HydrophobicContact CG1-CD1 4.1Å; V69-Y164 HydrophobicContact CG1-CE1 4.31Å; V69-Y164 HydrophobicContact CG1-CG 4.27Å; V69-Y164 HydrophobicContact CG2-CD2 4.25Å; V69-Y164 HydrophobicContact CG2-CE2 4.04Å; L72-Y164 WeakPolarHBondContact CB-OH 3.41Å; I74-Y164 HydrophobicContact CB-CD1 3.89Å; I74-Y164 HydrophobicContact CB-CE1 4.34Å; I74-Y164 HydrophobicContact CB-CG 4.27Å; I74-Y164 HydrophobicContact CD1-CG 4.49Å; Y160-Y164 VanDerWaalsContact O-CD2 3.27Å; Y160-Y164 WeakPolarHBondContact O-CD2 3.45Å; Y160-Y164 PolarHBondContact O-N 2.89Å; D161-Y164 PolarHBondContact O-N 3.37Å; Y164-I166 PolarHBondContact O-N 2.82Å; Y164-K167 PolarHBondContact O-N 3.05Å; Y164-I168 WeakPolarHBondContact O-CB 3.22Å; Y164-I168 WeakPolarHBondContact O-CD1 3.5Å; Y164-I168 WeakPolarHBondContact O-CG1 3.17Å; Y164-I168 PolarHBondContact O-N 3.43Å
165	L	98.8	Very high	98.4	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.026	13%	0.127	C	C	.	.	H	α-helix	trans	-61.8	-42	178.1	-71.1	179.7	0	0	0	112.3	M39 L77 W153 D161 F162 G163 I168 L169 F189	M39-L165 HydrophobicContact CE-CD1 3.76Å; M39-L165 HydrophobicContact CG-CD1 4.42Å; M39-L165 HydrophobicContact SD-CD1 4.16Å; L77-L165 HydrophobicContact CD1-CD2 4.09Å; L77-L165 HydrophobicContact CD2-CD2 3.95Å; W153-L165 HydrophobicContact CH2-CD1 4.48Å; W153-L165 HydrophobicContact CZ3-CD1 4.1Å; D161-L165 PolarHBondContact O-N 2.98Å; F162-L165 HydrophobicContact CD1-CD1 4.28Å; F162-L165 HydrophobicContact CE1-CD1 4.49Å; F162-L165 PolarHBondContact O-N 3.47Å; G163-L165 PolarHBondContact O-N 2.94Å; L165-I168 PolarHBondContact O-N 3.38Å; L165-L169 VanDerWaalsContact O-CB 3.27Å; L165-L169 WeakPolarHBondContact O-CB 3.21Å; L165-L169 WeakPolarHBondContact O-CD1 3.33Å; L165-L169 WeakPolarHBondContact O-CG 3.08Å; L165-L169 PolarHBondContact O-N 2.88Å; L165-F189 HydrophobicContact CB-CE2 4.29Å; L165-F189 HydrophobicContact CB-CZ 3.86Å; L165-F189 HydrophobicContact CD1-CE1 4.12Å; L165-F189 HydrophobicContact CD1-CZ 3.85Å; L165-F189 HydrophobicContact CG-CZ 4.47Å
166	I	98.8	Very high	98.2	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-67.3	-42	176.6	-68.2	-66.4	0	0	0	111.4	F162 G163 Y164 I168 L169 S170 L174 F181 I184 L185 F188 F189	F162-I166 WeakPolarHBondContact O-CB 3.23Å; F162-I166 VanDerWaalsContact O-CG1 3.28Å; F162-I166 WeakPolarHBondContact O-CG1 3.28Å; F162-I166 PolarHBondContact O-N 2.83Å; G163-I166 PolarHBondContact O-N 2.9Å; Y164-I166 PolarHBondContact O-N 2.82Å; I166-I168 VanDerWaalsContact C-N 3.29Å; I166-I168 PolarHBondContact O-N 3.35Å; I166-L169 PolarHBondContact O-N 2.93Å; I166-S170 VanDerWaalsContact O-CB 3.23Å; I166-S170 WeakPolarHBondContact O-CB 3.33Å; I166-S170 PolarHBondContact O-N 3.42Å; I166-S170 PolarHBondContact O-OG 2.88Å; I166-L174 HydrophobicContact CB-CD2 3.88Å; I166-L174 HydrophobicContact CG2-CD2 3.6Å; I166-F181 HydrophobicContact CB-CE2 4.16Å; I166-F181 HydrophobicContact CG1-CE2 4.03Å; I166-F181 HydrophobicContact CG2-CD2 4.43Å; I166-F181 HydrophobicContact CG2-CE2 4.4Å; I166-I184 HydrophobicContact CD1-CG2 4.46Å; I166-I184 HydrophobicContact CG2-CG2 3.9Å; I166-L185 HydrophobicContact CD1-CD1 4.15Å; I166-L185 HydrophobicContact CG1-CD1 3.87Å; I166-F188 HydrophobicContact CD1-CB 4.14Å; I166-F188 HydrophobicContact CD1-CD2 3.59Å; I166-F188 HydrophobicContact CD1-CE2 4.38Å; I166-F188 HydrophobicContact CD1-CG 4.16Å; I166-F189 HydrophobicContact CD1-CD2 4.19Å; I166-F189 HydrophobicContact CD1-CE2 3.79Å; I166-F189 HydrophobicContact CG1-CE2 4.28Å
167	K	98.8	Very high	98	Very high	43 Å²	43	32.6 Å²	32.6	19%	0.187	17%	0.174	C	C	.	.	H	α-helix	trans	-54.9	-47.3	173.2	173.1	-178.3	179.9	176	0	111.3	V69 D70 L72 G163 Y164 N171 S172 L174	V69-K167 HydrophobicContact CG1-CB 4.15Å; V69-K167 HydrophobicContact CG1-CD 3.97Å; V69-K167 VanDerWaalsContact O-CD 3.25Å; V69-K167 WeakPolarHBondContact O-CD 3.43Å; V69-K167 WeakPolarHBondContact O-CE 3.45Å; V69-K167 PolarHBondContact O-NZ 2.92Å; D70-K167 PolarHBondContact O-NZ 2.74Å; L72-K167 PolarHBondContact O-NZ 2.76Å; G163-K167 WeakPolarHBondContact O-CB 3.43Å; G163-K167 PolarHBondContact O-N 3.25Å; Y164-K167 PolarHBondContact O-N 3.05Å; K167-N171 WeakPolarHBondContact O-CA 3.41Å; K167-N171 PolarHBondContact O-N 3.45Å; K167-S172 PolarHBondContact O-N 3.49Å; K167-L174 HydrophobicContact CB-CD2 4.31Å
168	I	98.6	Very high	97.8	Very high	14 Å²	14	33.2 Å²	33.2	7%	0.072	18%	0.177	C	C	.	.	H	α-helix	trans	-67.9	-49	-178.1	-68.4	165.2	0	0	0	111.1	I74 T133 A137 Y164 L165 I166 N171	I74-I168 HydrophobicContact CD1-CD1 4.29Å; I74-I168 HydrophobicContact CG2-CD1 3.78Å; T133-I168 HydrophobicContact CG2-CD1 4.28Å; T133-I168 HydrophobicContact CG2-CG1 4.46Å; A137-I168 HydrophobicContact CB-CG2 3.76Å; Y164-I168 WeakPolarHBondContact O-CB 3.22Å; Y164-I168 WeakPolarHBondContact O-CD1 3.5Å; Y164-I168 WeakPolarHBondContact O-CG1 3.17Å; Y164-I168 PolarHBondContact O-N 3.43Å; L165-I168 PolarHBondContact O-N 3.38Å; I166-I168 VanDerWaalsContact C-N 3.29Å; I166-I168 PolarHBondContact O-N 3.35Å; I168-N171 PolarHBondContact O-N 3.44Å
169	L	98.6	Very high	97.7	Very high	13 Å²	13	37.4 Å²	37.4	7%	0.068	20%	0.202	C	C	.	.	H	α-helix	trans	-71.5	-31.1	-175.4	-71.1	167.4	0	0	0	113.4	L140 M141 V146 L165 I166 F188 F189	L140-L169 HydrophobicContact CD2-CD2 4.35Å; M141-L169 HydrophobicContact CE-CB 4.49Å; M141-L169 HydrophobicContact CE-CD2 4.12Å; M141-L169 WeakPolarHBondContact CE-O 3.32Å; V146-L169 HydrophobicContact CG1-CD1 4.12Å; V146-L169 HydrophobicContact CG2-CD2 4.45Å; L165-L169 VanDerWaalsContact O-CB 3.27Å; L165-L169 WeakPolarHBondContact O-CB 3.21Å; L165-L169 WeakPolarHBondContact O-CD1 3.33Å; L165-L169 WeakPolarHBondContact O-CG 3.08Å; L165-L169 PolarHBondContact O-N 2.88Å; I166-L169 PolarHBondContact O-N 2.93Å; L169-F188 HydrophobicContact CB-CD1 4.17Å; L169-F188 HydrophobicContact CB-CE1 3.76Å; L169-F188 HydrophobicContact CB-CE2 4.38Å; L169-F188 HydrophobicContact CB-CZ 3.87Å; L169-F188 HydrophobicContact CD1-CB 4.47Å; L169-F188 HydrophobicContact CD1-CD1 3.77Å; L169-F188 HydrophobicContact CD1-CE1 4.2Å; L169-F188 HydrophobicContact CD1-CG 4.15Å; L169-F188 HydrophobicContact CD2-CE1 4.44Å; L169-F188 HydrophobicContact CG-CD1 4.42Å; L169-F188 HydrophobicContact CG-CE1 4.36Å; L169-F189 HydrophobicContact CD1-CE2 4.1Å; L169-F189 HydrophobicContact CD1-CZ 3.65Å
170	S	97.9	Very high	97.6	Very high	34 Å²	34	40.9 Å²	40.9	24%	0.238	22%	0.221	C	C	.	.	H	α-helix	trans	-87.3	-12.7	175	68.5	0	0	0	0	113.3	I166 S172	I166-S170 VanDerWaalsContact O-CB 3.23Å; I166-S170 WeakPolarHBondContact O-CB 3.33Å; I166-S170 PolarHBondContact O-N 3.42Å; I166-S170 PolarHBondContact O-OG 2.88Å; S170-S172 PolarHBondContact O-N 2.68Å; S170-S172 PolarHBondContact O-OG 3.22Å; S170-S172 VanDerWaalsContact O-OG 3.11Å; S170-S172 PolarHBondContact OG-N 3.13Å
171	N	97.9	Very high	97.6	Very high	111 Å²	111	40.6 Å²	40.6	59%	0.594	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.5	43.8	-171.5	-173.7	22.4	0	0	0	112	L134 K167 I168	L134-N171 HydrophobicContact CD2-CB 3.89Å; L134-N171 VanDerWaalsContact CD2-CG 3.43Å; L134-N171 VanDerWaalsContact CD2-OD1 3.26Å; L134-N171 WeakPolarHBondContact CD2-OD1 3.46Å; K167-N171 WeakPolarHBondContact O-CA 3.41Å; K167-N171 PolarHBondContact O-N 3.45Å; I168-N171 PolarHBondContact O-N 3.44Å
172	S	97.9	Very high	97.5	Very high	70 Å²	70	41.2 Å²	41.2	49%	0.49	22%	0.222	S	C	.	.	S	Bend	trans	-148	158.8	-174.8	-65.9	0	0	0	0	109.3	K167 S170	K167-S172 PolarHBondContact O-N 3.49Å; S170-S172 PolarHBondContact O-N 2.68Å; S170-S172 PolarHBondContact O-OG 3.22Å; S170-S172 VanDerWaalsContact O-OG 3.11Å; S170-S172 PolarHBondContact OG-N 3.13Å
173	N	98.5	Very high	97.4	Very high	114 Å²	114	46.8 Å²	46.8	61%	0.61	25%	0.248	S	C	*	.	P	Polyproline II helix	trans	-59.5	152.8	164.9	-71.3	-10.3	0	0	0	109.7	D70	D70-N173 WeakPolarHBondContact OD1-CA 3.34Å
174	L	98.6	Very high	97.4	Very high	5 Å²	5	49 Å²	49	3%	0.026	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-63.8	150.8	178.5	-66.1	-178.8	0	0	0	111.4	L65 R66 V69 D70 G163 I166 K167 F181	L65-L174 HydrophobicContact CD2-CD1 3.55Å; R66-L174 HydrophobicContact CG-CB 4.05Å; V69-L174 HydrophobicContact CB-CD1 3.93Å; V69-L174 HydrophobicContact CG1-CD1 3.73Å; V69-L174 HydrophobicContact CG1-CG 4.23Å; D70-L174 PolarHBondContact OD1-N 2.89Å; G163-L174 WeakPolarHBondContact O-CD2 3.17Å; I166-L174 HydrophobicContact CB-CD2 3.88Å; I166-L174 HydrophobicContact CG2-CD2 3.6Å; K167-L174 HydrophobicContact CB-CD2 4.31Å; L174-F181 HydrophobicContact CD2-CD2 4.17Å; L174-F181 HydrophobicContact CD2-CE2 4.21Å
175	P	98.1	Very high	97.4	Very high	32 Å²	32	48.9 Å²	48.9	21%	0.208	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-53.8	148.4	178.7	-28.2	37.4	0	0	0	113.2	Y62 R66 E177 D180 F181 I184	Y62-P175 WeakPolarHBondContact CE1-O 3.4Å; Y62-P175 PolarHBondContact OH-O 2.84Å; R66-P175 WeakPolarHBondContact CD-O 3.35Å; P175-E177 PolarHBondContact O-N 2.82Å; P175-D180 HydrophobicContact CB-CB 3.62Å; P175-D180 HydrophobicContact CG-CB 4.32Å; P175-F181 HydrophobicContact CG-CB 4.34Å; P175-I184 HydrophobicContact CG-CG2 4.21Å
176	E	95.4	Very high	97.3	Very high	146 Å²	146	56 Å²	56	68%	0.682	29%	0.286	S	S	*	.	S	Bend	trans	-67.8	-36.5	-176.8	-68	-173.5	179.1	0	0	112.8	Q63	Q63-E176 PolarHBondContact NE2-O 3.16Å
177	E	93.4	Very high	97.3	Very high	65 Å²	65	61.5 Å²	61.5	30%	0.304	31%	0.314	S	S	.	.	S	Bend	trans	-105.5	142.4	-179.1	-61.6	-82.7	163.4	0	0	110.8	R55 P175 V179 D180 F181	R55-E177 IonicContact CZ-OE1 3.52Å; R55-E177 IonicContact CZ-OE2 3.72Å; R55-E177 IonicContact NH1-OE1 3.82Å; R55-E177 IonicContact NH1-OE2 3.66Å; R55-E177 PolarHBondContact NH1-OE2 3.42Å; R55-E177 IonicContact NH2-OE1 3.93Å; R55-E177 PolarHBondContact NH2-OE1 3.02Å; R55-E177 IonicContact NH2-OE2 3Å; P175-E177 PolarHBondContact O-N 2.82Å; E177-V179 HydrophobicContact CB-CG1 4.2Å; E177-V179 PolarHBondContact O-N 2.96Å; E177-D180 PolarHBondContact O-N 3.14Å; E177-F181 PolarHBondContact O-N 2.85Å
178	E	94.6	Very high	97.2	Very high	30 Å²	30	60.4 Å²	60.4	14%	0.14	31%	0.31	C	S	.	.	H	α-helix	trans	-59.3	-35.7	-176.8	-178.3	179.4	-142.9	0	0	112.5	Y62 D180 F181 F182 G263	Y62-E178 HydrophobicContact CD1-CB 3.7Å; Y62-E178 HydrophobicContact CD1-CG 4.45Å; Y62-E178 HydrophobicContact CD2-CB 4.14Å; Y62-E178 HydrophobicContact CD2-CG 4.03Å; Y62-E178 HydrophobicContact CE1-CB 4.28Å; Y62-E178 HydrophobicContact CG-CB 3.63Å; Y62-E178 HydrophobicContact CG-CG 3.88Å; E178-D180 VanDerWaalsContact C-N 3.32Å; E178-D180 PolarHBondContact O-N 2.86Å; E178-F181 WeakPolarHBondContact O-CB 3.49Å; E178-F181 PolarHBondContact O-N 3.12Å; E178-F182 HydrophobicContact CG-CD2 3.81Å; E178-F182 HydrophobicContact CG-CE2 3.74Å; E178-F182 WeakPolarHBondContact O-CD2 3.17Å; E178-F182 PolarHBondContact O-N 3.35Å; E178-G263 PolarHBondContact OE1-N 2.88Å
179	V	94.4	Very high	97.2	Very high	88 Å²	88	59.9 Å²	59.9	53%	0.533	31%	0.307	S	S	.	.	H	α-helix	trans	-60.8	-42.8	179.7	63.3	0	0	0	0	111.6	E177 F181 F182 E183	E177-V179 HydrophobicContact CB-CG1 4.2Å; E177-V179 PolarHBondContact O-N 2.96Å; V179-F181 VanDerWaalsContact C-N 3.32Å; V179-F181 PolarHBondContact O-N 3.34Å; V179-F182 PolarHBondContact O-N 3.08Å; V179-E183 WeakPolarHBondContact O-CG 3.34Å; V179-E183 PolarHBondContact O-N 3.47Å
180	D	96.6	Very high	97.2	Very high	72 Å²	72	61.7 Å²	61.7	39%	0.385	32%	0.319	S	S	.	.	H	α-helix	trans	-69.4	-33.6	-179.3	-60	-27.1	0	0	0	110.9	P175 E177 E178 E183 I184	P175-D180 HydrophobicContact CB-CB 3.62Å; P175-D180 HydrophobicContact CG-CB 4.32Å; E177-D180 PolarHBondContact O-N 3.14Å; E178-D180 VanDerWaalsContact C-N 3.32Å; E178-D180 PolarHBondContact O-N 2.86Å; D180-E183 PolarHBondContact O-N 3.12Å; D180-I184 PolarHBondContact O-N 3.02Å; D180-I184 VanDerWaalsContact O-N 3.12Å
181	F	97.6	Very high	97.2	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.1	-46.7	170.3	168.8	-98.7	0	0	0	111.9	Y62 F162 I166 L174 P175 E177 E178 V179 E183 I184 L185 L259	Y62-F181 HydrophobicContact CD2-CD1 4.4Å; Y62-F181 HydrophobicContact CE2-CB 3.56Å; Y62-F181 AromaticContact CE2-CD1 3.87Å; Y62-F181 HydrophobicContact CE2-CD1 3.87Å; Y62-F181 HydrophobicContact CE2-CD2 4.13Å; Y62-F181 AromaticContact CE2-CG 3.58Å; Y62-F181 HydrophobicContact CE2-CG 3.58Å; Y62-F181 WeakPolarHBondContact OH-CB 3.02Å; F162-F181 HydrophobicContact CB-CZ 4.44Å; I166-F181 HydrophobicContact CB-CE2 4.16Å; I166-F181 HydrophobicContact CG1-CE2 4.03Å; I166-F181 HydrophobicContact CG2-CD2 4.43Å; I166-F181 HydrophobicContact CG2-CE2 4.4Å; L174-F181 HydrophobicContact CD2-CD2 4.17Å; L174-F181 HydrophobicContact CD2-CE2 4.21Å; P175-F181 HydrophobicContact CG-CB 4.34Å; E177-F181 PolarHBondContact O-N 2.85Å; E178-F181 WeakPolarHBondContact O-CB 3.49Å; E178-F181 PolarHBondContact O-N 3.12Å; V179-F181 VanDerWaalsContact C-N 3.32Å; V179-F181 PolarHBondContact O-N 3.34Å; F181-E183 VanDerWaalsContact C-N 3.31Å; F181-E183 PolarHBondContact O-N 3.02Å; F181-I184 WeakPolarHBondContact O-CG2 3.34Å; F181-I184 PolarHBondContact O-N 3.13Å; F181-L185 HydrophobicContact CE1-CD2 4.11Å; F181-L185 HydrophobicContact CZ-CD1 4.23Å; F181-L185 HydrophobicContact CZ-CD2 4.41Å; F181-L185 WeakPolarHBondContact O-CB 3.39Å; F181-L185 PolarHBondContact O-N 2.86Å; F181-L259 HydrophobicContact CE1-CD1 4.21Å
182	F	96.7	Very high	97.2	Very high	20 Å²	20	56.4 Å²	56.4	9%	0.088	29%	0.288	C	S	.	.	H	α-helix	trans	-68.4	-30	177.4	-84.1	-77.8	0	0	0	113	E178 V179 L185 R186 L259 L262	E178-F182 HydrophobicContact CG-CD2 3.81Å; E178-F182 HydrophobicContact CG-CE2 3.74Å; E178-F182 WeakPolarHBondContact O-CD2 3.17Å; E178-F182 PolarHBondContact O-N 3.35Å; V179-F182 PolarHBondContact O-N 3.08Å; F182-L185 HydrophobicContact CD1-CD2 3.83Å; F182-L185 HydrophobicContact CE1-CD2 3.97Å; F182-R186 WeakPolarHBondContact O-CD 3.27Å; F182-R186 WeakPolarHBondContact O-CG 3.23Å; F182-R186 PolarHBondContact O-N 3.01Å; F182-R186 VanDerWaalsContact O-N 3.14Å; F182-L259 HydrophobicContact CE1-CD1 4.21Å; F182-L259 HydrophobicContact CE1-CG 4.09Å; F182-L259 HydrophobicContact CZ-CD1 4.3Å; F182-L259 HydrophobicContact CZ-CG 4.31Å; F182-L262 HydrophobicContact CE2-CB 4.17Å; F182-L262 HydrophobicContact CZ-CB 3.96Å
183	E	97.3	Very high	97.3	Very high	118 Å²	118	53.3 Å²	53.3	55%	0.551	27%	0.266	S	S	*	.	H	α-helix	trans	-62.4	-51	173.1	-74.1	-173.3	178.6	0	0	111.4	V179 D180 F181	V179-E183 WeakPolarHBondContact O-CG 3.34Å; V179-E183 PolarHBondContact O-N 3.47Å; D180-E183 PolarHBondContact O-N 3.12Å; F181-E183 VanDerWaalsContact C-N 3.31Å; F181-E183 PolarHBondContact O-N 3.02Å
184	I	98	Very high	97.3	Very high	45 Å²	45	47.9 Å²	47.9	23%	0.231	24%	0.237	C	C	.	.	H	α-helix	trans	-69.2	-36.4	178	-167.4	166.6	0	0	0	112.2	I166 P175 D180 F181 R186 L187 F188	I166-I184 HydrophobicContact CD1-CG2 4.46Å; I166-I184 HydrophobicContact CG2-CG2 3.9Å; P175-I184 HydrophobicContact CG-CG2 4.21Å; D180-I184 PolarHBondContact O-N 3.02Å; D180-I184 VanDerWaalsContact O-N 3.12Å; F181-I184 WeakPolarHBondContact O-CG2 3.34Å; F181-I184 PolarHBondContact O-N 3.13Å; I184-R186 VanDerWaalsContact C-N 3.32Å; I184-R186 PolarHBondContact O-N 3.45Å; I184-L187 WeakPolarHBondContact O-CB 3.36Å; I184-L187 PolarHBondContact O-N 3.3Å; I184-L187 VanDerWaalsContact O-N 3.14Å; I184-F188 HydrophobicContact CD1-CE2 4.07Å; I184-F188 HydrophobicContact CG1-CD2 3.92Å; I184-F188 HydrophobicContact CG1-CE2 3.76Å; I184-F188 WeakPolarHBondContact O-CD2 3.4Å; I184-F188 PolarHBondContact O-N 2.99Å
185	L	98.3	Very high	97.3	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-55.9	-47.4	177.1	-176.7	74.1	0	0	0	111.4	F162 I166 F181 F182 L187 F188 F189 I192 L259	F162-L185 HydrophobicContact CB-CD1 3.7Å; F162-L185 HydrophobicContact CD1-CD1 3.82Å; F162-L185 HydrophobicContact CG-CD1 3.9Å; I166-L185 HydrophobicContact CD1-CD1 4.15Å; I166-L185 HydrophobicContact CG1-CD1 3.87Å; F181-L185 HydrophobicContact CE1-CD2 4.11Å; F181-L185 HydrophobicContact CZ-CD1 4.23Å; F181-L185 HydrophobicContact CZ-CD2 4.41Å; F181-L185 WeakPolarHBondContact O-CB 3.39Å; F181-L185 PolarHBondContact O-N 2.86Å; F182-L185 HydrophobicContact CD1-CD2 3.83Å; F182-L185 HydrophobicContact CE1-CD2 3.97Å; L185-L187 PolarHBondContact O-N 3.07Å; L185-F188 PolarHBondContact O-N 3.46Å; L185-F189 HydrophobicContact CD1-CD2 3.67Å; L185-F189 HydrophobicContact CD1-CE2 4.24Å; L185-F189 HydrophobicContact CG-CD2 4.44Å; L185-F189 PolarHBondContact O-N 2.97Å; L185-I192 HydrophobicContact CD1-CD1 4.13Å; L185-I192 HydrophobicContact CD2-CD1 3.85Å; L185-I192 HydrophobicContact CG-CD1 3.9Å; L185-L259 HydrophobicContact CD2-CD1 3.9Å; L185-L259 HydrophobicContact CD2-CG 4.45Å
186	R	97.6	Very high	97.2	Very high	155 Å²	155	47.5 Å²	47.5	59%	0.585	23%	0.232	S	C	*	.	H	α-helix	trans	-66.3	-23.9	-178.9	-72.1	170	-172.4	171	5.1	113.6	F182 I184 P190	F182-R186 WeakPolarHBondContact O-CD 3.27Å; F182-R186 WeakPolarHBondContact O-CG 3.23Å; F182-R186 PolarHBondContact O-N 3.01Å; F182-R186 VanDerWaalsContact O-N 3.14Å; I184-R186 VanDerWaalsContact C-N 3.32Å; I184-R186 PolarHBondContact O-N 3.45Å; R186-P190 WeakPolarHBondContact O-CA 3.48Å
187	L	97.8	Very high	97.3	Very high	116 Å²	116	42.1 Å²	42.1	61%	0.607	21%	0.205	S	C	*	.	H	α-helix	trans	-70.6	-50.7	173.8	-62.8	176.2	0	0	0	110.3	I184 L185	I184-L187 WeakPolarHBondContact O-CB 3.36Å; I184-L187 PolarHBondContact O-N 3.3Å; I184-L187 VanDerWaalsContact O-N 3.14Å; L185-L187 PolarHBondContact O-N 3.07Å
188	F	98.4	Very high	97.4	Very high	20 Å²	20	39 Å²	39	9%	0.088	19%	0.191	C	C	.	.	H	α-helix	trans	-70.6	-37.1	-179.3	-77.4	-74.5	0	0	0	113.2	M141 V146 L147 I166 L169 I184 L185	M141-F188 HydrophobicContact CE-CE1 3.78Å; M141-F188 HydrophobicContact CE-CZ 4.23Å; M141-F188 HydrophobicContact SD-CE1 3.84Å; V146-F188 HydrophobicContact CB-CD1 4.32Å; V146-F188 HydrophobicContact CG2-CD1 4.37Å; L147-F188 HydrophobicContact CD1-CD1 4.37Å; L147-F188 HydrophobicContact CD1-CE1 4.17Å; L147-F188 HydrophobicContact CD2-CD1 3.68Å; L147-F188 HydrophobicContact CD2-CE1 3.95Å; L147-F188 HydrophobicContact CD2-CG 4.14Å; L147-F188 HydrophobicContact CG-CD1 3.82Å; L147-F188 HydrophobicContact CG-CE1 4.1Å; L147-F188 PolarHBondContact N-O 3.43Å; I166-F188 HydrophobicContact CD1-CB 4.14Å; I166-F188 HydrophobicContact CD1-CD2 3.59Å; I166-F188 HydrophobicContact CD1-CE2 4.38Å; I166-F188 HydrophobicContact CD1-CG 4.16Å; L169-F188 HydrophobicContact CB-CD1 4.17Å; L169-F188 HydrophobicContact CB-CE1 3.76Å; L169-F188 HydrophobicContact CB-CE2 4.38Å; L169-F188 HydrophobicContact CB-CZ 3.87Å; L169-F188 HydrophobicContact CD1-CB 4.47Å; L169-F188 HydrophobicContact CD1-CD1 3.77Å; L169-F188 HydrophobicContact CD1-CE1 4.2Å; L169-F188 HydrophobicContact CD1-CG 4.15Å; L169-F188 HydrophobicContact CD2-CE1 4.44Å; L169-F188 HydrophobicContact CG-CD1 4.42Å; L169-F188 HydrophobicContact CG-CE1 4.36Å; I184-F188 HydrophobicContact CD1-CE2 4.07Å; I184-F188 HydrophobicContact CG1-CD2 3.92Å; I184-F188 HydrophobicContact CG1-CE2 3.76Å; I184-F188 WeakPolarHBondContact O-CD2 3.4Å; I184-F188 PolarHBondContact O-N 2.99Å; L185-F188 PolarHBondContact O-N 3.46Å
189	F	98.6	Very high	97.5	Very high	3 Å²	3	38 Å²	38	1%	0.013	19%	0.186	C	C	.	.			trans	-131.5	79.4	-171.2	-51.7	-78.6	0	0	0	110	V146 W153 F162 L165 I166 L169 L185 I191 I192	V146-F189 HydrophobicContact CG1-CD1 4.41Å; V146-F189 HydrophobicContact CG1-CE1 3.71Å; V146-F189 HydrophobicContact CG1-CZ 4.15Å; W153-F189 AromaticContact CD1-CD1 3.88Å; W153-F189 AromaticContact CD2-CD1 3.68Å; W153-F189 HydrophobicContact CD2-CD1 3.68Å; W153-F189 HydrophobicContact CD2-CE1 4.03Å; W153-F189 AromaticContact CE2-CD1 3.41Å; W153-F189 VanDerWaalsContact CE2-CD1 3.41Å; W153-F189 AromaticContact CE2-CE1 3.63Å; W153-F189 HydrophobicContact CE3-CD1 4.27Å; W153-F189 HydrophobicContact CE3-CE1 4.24Å; W153-F189 AromaticContact CG-CD1 3.99Å; W153-F189 HydrophobicContact CG-CD1 3.99Å; W153-F189 HydrophobicContact CH2-CD1 4.35Å; W153-F189 AromaticContact CH2-CE1 3.73Å; W153-F189 HydrophobicContact CH2-CE1 3.73Å; W153-F189 AromaticContact CZ2-CD1 3.77Å; W153-F189 HydrophobicContact CZ2-CD1 3.77Å; W153-F189 AromaticContact CZ2-CE1 3.48Å; W153-F189 HydrophobicContact CZ2-CE1 3.48Å; W153-F189 VanDerWaalsContact CZ2-CE1 3.48Å; W153-F189 HydrophobicContact CZ3-CE1 4.11Å; W153-F189 AromaticContact NE1-CD1 3.55Å; F162-F189 HydrophobicContact CD1-CD1 4.41Å; F162-F189 AromaticContact CD1-CD2 3.95Å; F162-F189 HydrophobicContact CD1-CD2 3.95Å; F162-F189 HydrophobicContact CD1-CE1 4.47Å; F162-F189 HydrophobicContact CD1-CE2 4.02Å; F162-F189 HydrophobicContact CD1-CG 4.15Å; F162-F189 HydrophobicContact CD1-CZ 4.29Å; F162-F189 HydrophobicContact CE1-CB 4.36Å; F162-F189 AromaticContact CE1-CD1 3.86Å; F162-F189 HydrophobicContact CE1-CD1 3.86Å; F162-F189 HydrophobicContact CE1-CD2 4.14Å; F162-F189 HydrophobicContact CE1-CE1 4.15Å; F162-F189 HydrophobicContact CE1-CE2 4.41Å; F162-F189 AromaticContact CE1-CG 3.85Å; F162-F189 HydrophobicContact CE1-CG 3.85Å; F162-F189 HydrophobicContact CE1-CZ 4.42Å; L165-F189 HydrophobicContact CB-CE2 4.29Å; L165-F189 HydrophobicContact CB-CZ 3.86Å; L165-F189 HydrophobicContact CD1-CE1 4.12Å; L165-F189 HydrophobicContact CD1-CZ 3.85Å; L165-F189 HydrophobicContact CG-CZ 4.47Å; I166-F189 HydrophobicContact CD1-CD2 4.19Å; I166-F189 HydrophobicContact CD1-CE2 3.79Å; I166-F189 HydrophobicContact CG1-CE2 4.28Å; L169-F189 HydrophobicContact CD1-CE2 4.1Å; L169-F189 HydrophobicContact CD1-CZ 3.65Å; L185-F189 HydrophobicContact CD1-CD2 3.67Å; L185-F189 HydrophobicContact CD1-CE2 4.24Å; L185-F189 HydrophobicContact CG-CD2 4.44Å; L185-F189 PolarHBondContact O-N 2.97Å; F189-I191 VanDerWaalsContact C-N 3.27Å; F189-I191 PolarHBondContact O-N 3.43Å; F189-I192 HydrophobicContact CB-CD1 3.66Å; F189-I192 HydrophobicContact CB-CG1 3.78Å; F189-I192 HydrophobicContact CG-CD1 4.47Å
190	P	97.3	Very high	97.4	Very high	51 Å²	51	37.9 Å²	37.9	33%	0.331	18%	0.178	S	C	.	.	S	Bend	trans	-62.1	-32.4	-173.3	-26.2	35.9	0	0	0	114.1	R186	R186-P190 WeakPolarHBondContact O-CA 3.48Å
191	I	98.3	Very high	97.3	Very high	32 Å²	32	37.2 Å²	37.2	16%	0.164	18%	0.179	C	C	.	.			trans	-127.2	117	179.3	-56	173.5	0	0	0	109.3	K152 W153 F189 Y193	K152-I191 HydrophobicContact CB-CG2 4.21Å; K152-I191 HydrophobicContact CG-CB 4.21Å; K152-I191 HydrophobicContact CG-CD1 4.01Å; K152-I191 HydrophobicContact CG-CG2 3.92Å; W153-I191 WeakPolarHBondContact CB-O 3.32Å; W153-I191 PolarHBondContact N-O 3.18Å; F189-I191 VanDerWaalsContact C-N 3.27Å; F189-I191 PolarHBondContact O-N 3.43Å; I191-Y193 HydrophobicContact CG2-CD2 4.43Å; I191-Y193 HydrophobicContact CG2-CE1 4.26Å; I191-Y193 HydrophobicContact CG2-CE2 3.78Å
192	I	98.6	Very high	97.1	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.5	174.9	-60.2	166	0	0	0	108.8	W153 F162 L185 F189 C256 G257 L259	W153-I192 HydrophobicContact CB-CG1 4.18Å; W153-I192 CarbonylContact O-C 3.55Å; W153-I192 WeakPolarHBondContact O-CA 3.3Å; F162-I192 HydrophobicContact CD1-CD1 4.23Å; F162-I192 HydrophobicContact CD2-CD1 4.35Å; F162-I192 HydrophobicContact CE1-CD1 3.86Å; F162-I192 HydrophobicContact CE1-CG1 4.14Å; F162-I192 HydrophobicContact CE2-CD1 3.99Å; F162-I192 HydrophobicContact CE2-CG1 4.27Å; F162-I192 HydrophobicContact CE2-CG2 3.52Å; F162-I192 HydrophobicContact CG-CD1 4.47Å; F162-I192 HydrophobicContact CZ-CB 4.37Å; F162-I192 HydrophobicContact CZ-CD1 3.73Å; F162-I192 HydrophobicContact CZ-CG1 3.75Å; F162-I192 HydrophobicContact CZ-CG2 3.69Å; L185-I192 HydrophobicContact CD1-CD1 4.13Å; L185-I192 HydrophobicContact CD2-CD1 3.85Å; L185-I192 HydrophobicContact CG-CD1 3.9Å; F189-I192 HydrophobicContact CB-CD1 3.66Å; F189-I192 HydrophobicContact CB-CG1 3.78Å; F189-I192 HydrophobicContact CG-CD1 4.47Å; I192-C256 CarbonylContact O-C 3.59Å; I192-C256 WeakPolarHBondContact O-CA 3.16Å; I192-G257 PolarHBondContact O-N 3.44Å; I192-L259 HydrophobicContact CD1-CD2 4.47Å; I192-L259 HydrophobicContact CG2-CD2 3.86Å
193	Y	98.7	Very high	96.7	Very high	5 Å²	5	45.2 Å²	45.2	2%	0.02	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	109.3	165.8	-54.9	-60.1	0	0	0	110	K152 W153 L154 S155 I191 V195 F238 I250 D252 C256	K152-Y193 HydrophobicContact CD-CE2 4.5Å; W153-Y193 PolarHBondContact O-N 3.13Å; L154-Y193 HydrophobicContact CD2-CD2 3.83Å; S155-Y193 PolarHBondContact N-O 2.87Å; S155-Y193 VanDerWaalsContact N-O 3.13Å; I191-Y193 HydrophobicContact CG2-CD2 4.43Å; I191-Y193 HydrophobicContact CG2-CE1 4.26Å; I191-Y193 HydrophobicContact CG2-CE2 3.78Å; Y193-V195 PolarHBondContact O-N 3.12Å; Y193-F238 AromaticContact CD2-CE2 3.9Å; Y193-F238 HydrophobicContact CD2-CE2 3.9Å; Y193-F238 AromaticContact CD2-CZ 3.94Å; Y193-F238 HydrophobicContact CD2-CZ 3.94Å; Y193-F238 HydrophobicContact CE2-CZ 4.43Å; Y193-F238 HydrophobicContact CG-CE2 4.13Å; Y193-I250 HydrophobicContact CD1-CG2 3.82Å; Y193-I250 HydrophobicContact CE1-CB 4.34Å; Y193-I250 HydrophobicContact CE1-CG2 3.51Å; Y193-D252 PolarHBondContact OH-OD1 3.36Å; Y193-C256 HydrophobicContact CE1-CB 4.13Å
194	D	98.6	Very high	96.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	108.8	172.1	-171.3	-41.2	0	0	0	109.3	H157 S158 K196 Y197 L198 H258 Y260	H157-D194 PolarHBondContact N-OD1 2.67Å; H157-D194 PolarHBondContact N-OD2 3.46Å; S158-D194 PolarHBondContact N-OD2 3.28Å; S158-D194 PolarHBondContact OG-OD2 3.43Å; D194-K196 PolarHBondContact O-N 3.18Å; D194-K196 WeakPolarHBondContact OD1-CB 3.34Å; D194-K196 PolarHBondContact OD1-N 3.17Å; D194-Y197 WeakPolarHBondContact O-CA 3.18Å; D194-Y197 VanDerWaalsContact O-CB 3.32Å; D194-Y197 WeakPolarHBondContact O-CB 3.42Å; D194-Y197 PolarHBondContact O-N 3.42Å; D194-Y197 PolarHBondContact OD1-N 3.17Å; D194-L198 WeakPolarHBondContact O-CD1 3.33Å; D194-L198 PolarHBondContact O-N 2.92Å; D194-H258 WeakPolarHBondContact CB-O 3.46Å; D194-Y260 PolarHBondContact OD2-N 3.48Å; D194-Y260 VanDerWaalsContact OD2-N 3.12Å
195	V	98.2	Very high	95.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-52.9	-39.4	-178.3	170.7	0	0	0	0	111.1	S155 F156 Y193 Y197 L198 M199 T234 F238 M241	S155-V195 WeakPolarHBondContact O-CB 3.41Å; S155-V195 WeakPolarHBondContact O-CG2 3.38Å; S155-V195 PolarHBondContact O-N 2.86Å; F156-V195 HydrophobicContact CD2-CB 3.81Å; F156-V195 HydrophobicContact CD2-CG1 3.7Å; F156-V195 HydrophobicContact CE2-CG1 4.07Å; Y193-V195 PolarHBondContact O-N 3.12Å; V195-Y197 VanDerWaalsContact C-N 3.29Å; V195-Y197 PolarHBondContact O-N 2.85Å; V195-L198 PolarHBondContact O-N 2.88Å; V195-M199 HydrophobicContact CG1-CG 4.39Å; V195-M199 HydrophobicContact CG1-SD 4.18Å; V195-M199 WeakPolarHBondContact O-CG 3.19Å; V195-M199 PolarHBondContact O-N 3.42Å; V195-T234 HydrophobicContact CG2-CG2 4.5Å; V195-F238 HydrophobicContact CG2-CB 3.81Å; V195-F238 HydrophobicContact CG2-CD2 4.12Å; V195-F238 HydrophobicContact CG2-CG 4.48Å; V195-M241 HydrophobicContact CB-CE 4.35Å; V195-M241 HydrophobicContact CG1-CE 3.85Å; V195-M241 HydrophobicContact CG1-SD 4.28Å; V195-M241 HydrophobicContact CG2-CE 4.35Å
196	K	97.3	Very high	95.6	Very high	29 Å²	29	52.8 Å²	52.8	13%	0.126	25%	0.252	C	S	.	.	H	α-helix	trans	-63.4	-35.9	177.7	-167.2	75.1	167.4	-132.6	0	112	F156 H157 D194 M199 G207 Y260	F156-K196 HydrophobicContact CE1-CD 3.76Å; F156-K196 HydrophobicContact CE2-CB 4.47Å; F156-K196 HydrophobicContact CE2-CD 4.12Å; F156-K196 HydrophobicContact CZ-CB 4.47Å; F156-K196 HydrophobicContact CZ-CD 3.5Å; H157-K196 HydrophobicContact CB-CB 4.23Å; H157-K196 HydrophobicContact CB-CG 4.27Å; D194-K196 PolarHBondContact O-N 3.18Å; D194-K196 WeakPolarHBondContact OD1-CB 3.34Å; D194-K196 PolarHBondContact OD1-N 3.17Å; K196-M199 HydrophobicContact CD-CE 4.15Å; K196-M199 HydrophobicContact CD-SD 4.11Å; K196-G207 WeakPolarHBondContact CE-O 3.41Å; K196-G207 PolarHBondContact NZ-O 2.85Å; K196-Y260 HydrophobicContact CB-CD2 4.16Å; K196-Y260 HydrophobicContact CB-CG 4.12Å; K196-Y260 HydrophobicContact CG-CD1 4.05Å; K196-Y260 HydrophobicContact CG-CD2 3.5Å; K196-Y260 HydrophobicContact CG-CE1 4.38Å; K196-Y260 HydrophobicContact CG-CE2 3.87Å; K196-Y260 HydrophobicContact CG-CG 3.6Å
197	Y	96.2	Very high	95.5	Very high	32 Å²	32	46.3 Å²	46.3	13%	0.125	23%	0.234	C	C	.	.	H	α-helix	trans	-69.6	-45.4	173.7	-174.5	-91.8	0	0	0	111.6	D194 V195 M199 K200 Y255 H258	D194-Y197 WeakPolarHBondContact O-CA 3.18Å; D194-Y197 VanDerWaalsContact O-CB 3.32Å; D194-Y197 WeakPolarHBondContact O-CB 3.42Å; D194-Y197 PolarHBondContact O-N 3.42Å; D194-Y197 PolarHBondContact OD1-N 3.17Å; V195-Y197 VanDerWaalsContact C-N 3.29Å; V195-Y197 PolarHBondContact O-N 2.85Å; Y197-M199 VanDerWaalsContact C-N 3.28Å; Y197-M199 PolarHBondContact O-N 2.9Å; Y197-K200 HydrophobicContact CD2-CD 4.21Å; Y197-K200 HydrophobicContact CE2-CD 4.43Å; Y197-K200 VanDerWaalsContact O-CB 3.31Å; Y197-K200 WeakPolarHBondContact O-CB 3.44Å; Y197-K200 WeakPolarHBondContact O-CG 3.07Å; Y197-K200 PolarHBondContact O-N 3.19Å; Y197-K200 VanDerWaalsContact O-N 3.14Å; Y197-Y255 HydrophobicContact CD1-CD1 4.13Å; Y197-Y255 HydrophobicContact CE1-CD1 4.03Å; Y197-H258 HydrophobicContact CD1-CB 3.79Å; Y197-H258 HydrophobicContact CD2-CB 4.02Å; Y197-H258 HydrophobicContact CE1-CB 3.68Å; Y197-H258 AromaticContact CE1-CG 3.98Å; Y197-H258 HydrophobicContact CE2-CB 3.91Å; Y197-H258 HydrophobicContact CG-CB 3.96Å; Y197-H258 AromaticContact CZ-CD2 3.98Å; Y197-H258 AromaticContact CZ-CG 3.89Å
198	L	96.7	Very high	95.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.3	-40.4	177.2	-83.4	78.4	0	0	0	111.7	D194 V195 K200 S201 F238 M241 F246 I250 Y255	D194-L198 WeakPolarHBondContact O-CD1 3.33Å; D194-L198 PolarHBondContact O-N 2.92Å; V195-L198 PolarHBondContact O-N 2.88Å; L198-K200 PolarHBondContact O-N 2.97Å; L198-S201 WeakPolarHBondContact O-CB 3.39Å; L198-S201 PolarHBondContact O-N 2.78Å; L198-F238 HydrophobicContact CD2-CD2 4.47Å; L198-F238 HydrophobicContact CD2-CE2 4.11Å; L198-M241 HydrophobicContact CB-CE 3.51Å; L198-M241 HydrophobicContact CB-SD 4.21Å; L198-M241 HydrophobicContact CD2-CE 3.69Å; L198-M241 HydrophobicContact CG-CE 4.22Å; L198-F246 HydrophobicContact CB-CE2 4.43Å; L198-F246 HydrophobicContact CB-CZ 4.15Å; L198-F246 HydrophobicContact CD2-CE2 4.36Å; L198-F246 HydrophobicContact CD2-CZ 4.35Å; L198-F246 HydrophobicContact CG-CZ 4.44Å; L198-I250 HydrophobicContact CD2-CD1 3.7Å; L198-I250 HydrophobicContact CD2-CG1 4.34Å; L198-I250 HydrophobicContact CD2-CG2 4.46Å; L198-Y255 HydrophobicContact CD1-CD1 4.5Å; L198-Y255 HydrophobicContact CG-CD1 4.08Å; L198-Y255 HydrophobicContact CG-CG 4.27Å
199	M	96.4	Very high	95.2	Very high	9 Å²	9	41.5 Å²	41.5	4%	0.044	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-53.8	-25.6	177.6	-74.4	164.2	56.5	0	0	113.7	F156 V195 K196 Y197 S201 C202 L205 V212 M241	F156-M199 HydrophobicContact CE2-SD 3.6Å; F156-M199 VanDerWaalsContact CE2-SD 3.6Å; F156-M199 HydrophobicContact CZ-SD 4.14Å; V195-M199 HydrophobicContact CG1-CG 4.39Å; V195-M199 HydrophobicContact CG1-SD 4.18Å; V195-M199 WeakPolarHBondContact O-CG 3.19Å; V195-M199 PolarHBondContact O-N 3.42Å; K196-M199 HydrophobicContact CD-CE 4.15Å; K196-M199 HydrophobicContact CD-SD 4.11Å; Y197-M199 VanDerWaalsContact C-N 3.28Å; Y197-M199 PolarHBondContact O-N 2.9Å; M199-S201 PolarHBondContact O-N 2.99Å; M199-S201 VanDerWaalsContact O-N 3.11Å; M199-C202 PolarHBondContact O-N 2.89Å; M199-L205 HydrophobicContact CE-CG 4.32Å; M199-L205 HydrophobicContact CG-CD2 3.76Å; M199-L205 HydrophobicContact CG-CG 4.09Å; M199-V212 HydrophobicContact CE-CG2 3.26Å; M199-V212 HydrophobicContact SD-CG1 4.25Å; M199-V212 HydrophobicContact SD-CG2 3.69Å; M199-M241 HydrophobicContact CG-SD 3.94Å
200	K	93.2	Very high	95.1	Very high	85 Å²	85	43.8 Å²	43.8	37%	0.37	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-59.9	-22.6	174.6	-62.5	176.5	64.8	176.3	0	112.9	Y197 L198 Y268	Y197-K200 HydrophobicContact CD2-CD 4.21Å; Y197-K200 HydrophobicContact CE2-CD 4.43Å; Y197-K200 VanDerWaalsContact O-CB 3.31Å; Y197-K200 WeakPolarHBondContact O-CB 3.44Å; Y197-K200 WeakPolarHBondContact O-CG 3.07Å; Y197-K200 PolarHBondContact O-N 3.19Å; Y197-K200 VanDerWaalsContact O-N 3.14Å; L198-K200 PolarHBondContact O-N 2.97Å; K200-Y268 WeakPolarHBondContact CE-O 3.47Å; K200-Y268 PolarHBondContact NZ-O 3.37Å
201	S	94	Very high	95	Very high	58 Å²	58	46.1 Å²	46.1	41%	0.406	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-95.7	-5.5	175.4	-59	0	0	0	0	113.4	L198 M199 Y255	L198-S201 WeakPolarHBondContact O-CB 3.39Å; L198-S201 PolarHBondContact O-N 2.78Å; M199-S201 PolarHBondContact O-N 2.99Å; M199-S201 VanDerWaalsContact O-N 3.11Å; S201-Y255 VanDerWaalsContact CB-OH 3.23Å; S201-Y255 WeakPolarHBondContact CB-OH 3.48Å; S201-Y255 WeakPolarHBondContact OG-CE1 3.39Å; S201-Y255 PolarHBondContact OG-OH 2.99Å
202	C	93.1	Very high	94.9	Very high	8 Å²	8	44.6 Å²	44.6	5%	0.054	23%	0.225	C	C	.	.	S	Bend	trans	-97.9	115.2	-179.5	-58.3	0	0	0	0	109.7	M199 N204 L205 F245 F246	M199-C202 PolarHBondContact O-N 2.89Å; C202-N204 PolarHBondContact O-N 2.95Å; C202-L205 HydrophobicContact CB-CB 3.85Å; C202-L205 HydrophobicContact CB-CD2 4.16Å; C202-L205 PolarHBondContact O-N 3.43Å; C202-F245 HydrophobicContact CB-CD1 3.9Å; C202-F245 HydrophobicContact CB-CD2 4.37Å; C202-F245 HydrophobicContact CB-CE1 4.15Å; C202-F245 HydrophobicContact CB-CG 4.01Å; C202-F245 HydrophobicContact CB-CZ 4.5Å; C202-F246 WeakPolarHBondContact SG-CE2 3.21Å
203	K	89	Confident	94.8	Very high	181 Å²	181	44.6 Å²	44.6	79%	0.787	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	133.4	176	-70.6	-179.4	-178.6	174.4	0	109.8	L205	K203-L205 VanDerWaalsContact C-N 3.25Å; K203-L205 PolarHBondContact O-N 3.3Å
204	N	86.9	Confident	94.7	Very high	150 Å²	150	50.3 Å²	50.3	80%	0.802	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	6.2	175.3	-50.4	-36.4	0	0	0	116.6	C202 Q215	C202-N204 PolarHBondContact O-N 2.95Å; N204-Q215 PolarHBondContact O-OE1 2.92Å; N204-Q215 VanDerWaalsContact O-OE1 3.13Å
205	L	91.1	Very high	94.6	Very high	15 Å²	15	54.3 Å²	54.3	8%	0.079	27%	0.27	C	S	.	.			trans	-96.7	116.5	174.1	-157.4	62.2	0	0	0	109.4	M199 C202 K203 V212 Q215 L216 M241 F245	M199-L205 HydrophobicContact CE-CG 4.32Å; M199-L205 HydrophobicContact CG-CD2 3.76Å; M199-L205 HydrophobicContact CG-CG 4.09Å; C202-L205 HydrophobicContact CB-CB 3.85Å; C202-L205 HydrophobicContact CB-CD2 4.16Å; C202-L205 PolarHBondContact O-N 3.43Å; K203-L205 VanDerWaalsContact C-N 3.25Å; K203-L205 PolarHBondContact O-N 3.3Å; L205-V212 HydrophobicContact CD1-CG1 4.17Å; L205-V212 HydrophobicContact CD2-CG1 4.31Å; L205-V212 HydrophobicContact CG-CG1 4.27Å; L205-Q215 HydrophobicContact CD1-CB 3.88Å; L205-L216 HydrophobicContact CD1-CD2 4.1Å; L205-L216 HydrophobicContact CD1-CG 4.16Å; L205-L216 HydrophobicContact CD2-CD2 4.37Å; L205-M241 HydrophobicContact CD2-CG 4.16Å; L205-M241 HydrophobicContact CD2-SD 3.94Å; L205-F245 HydrophobicContact CD2-CE2 4.28Å
206	K	92.3	Very high	94.5	Very high	157 Å²	157	54.7 Å²	54.7	68%	0.683	27%	0.272	S	S	*	.			trans	-152.9	160.5	-176.9	62.3	-178.2	-179.4	178.9	0	110.5	Q215	K206-Q215 PolarHBondContact O-NE2 2.87Å
207	G	94.3	Very high	94.5	Very high	20 Å²	20	62 Å²	62	21%	0.206	31%	0.307	C	S	.	.	S	Bend	trans	112.8	-178.4	176.4	0	0	0	0	0	114.5	K196 E211	K196-G207 WeakPolarHBondContact CE-O 3.41Å; K196-G207 PolarHBondContact NZ-O 2.85Å; G207-E211 WeakPolarHBondContact CA-OE2 3.34Å
208	G	94.9	Very high	94.6	Very high	23 Å²	23	62.4 Å²	62.4	24%	0.237	31%	0.311	C	S	.	.	S	Bend	trans	-71.9	173.2	171	0	0	0	0	0	112.4	Q210 E211 V212	G208-Q210 VanDerWaalsContact C-N 3.28Å; G208-Q210 PolarHBondContact O-N 3.24Å; G208-E211 PolarHBondContact N-OE2 2.97Å; G208-E211 PolarHBondContact O-N 3.44Å; G208-E211 VanDerWaalsContact O-N 3.15Å; G208-V212 WeakPolarHBondContact O-CG2 3.34Å; G208-V212 PolarHBondContact O-N 3.28Å
209	L	95.9	Very high	94.6	Very high	12 Å²	12	70.3 Å²	70.3	6%	0.063	35%	0.348	C	S	.	.	H	α-helix	trans	-54.5	-43.6	-175.7	178.1	61.7	0	0	0	112.4	F156 V212 A213 D230 L233 T234 A237	F156-L209 HydrophobicContact CB-CD1 4.4Å; F156-L209 HydrophobicContact CD1-CB 3.95Å; F156-L209 HydrophobicContact CD2-CB 4.43Å; F156-L209 HydrophobicContact CD2-CD1 3.8Å; F156-L209 HydrophobicContact CE1-CB 3.91Å; F156-L209 VanDerWaalsContact CE1-N 3.3Å; F156-L209 HydrophobicContact CE2-CB 4.41Å; F156-L209 HydrophobicContact CE2-CD1 4.2Å; F156-L209 HydrophobicContact CG-CB 4.22Å; F156-L209 HydrophobicContact CG-CD1 4.06Å; F156-L209 HydrophobicContact CZ-CB 4.15Å; F156-L209 VanDerWaalsContact CZ-N 3.31Å; L209-V212 PolarHBondContact O-N 2.92Å; L209-A213 WeakPolarHBondContact O-CB 3.4Å; L209-A213 PolarHBondContact O-N 3.34Å; L209-D230 HydrophobicContact CD2-CB 4.08Å; L209-L233 HydrophobicContact CD1-CG 4.49Å; L209-L233 HydrophobicContact CD2-CD2 4.42Å; L209-L233 HydrophobicContact CG-CD2 4.1Å; L209-L233 HydrophobicContact CG-CG 4.44Å; L209-T234 WeakPolarHBondContact CD2-OG1 3.33Å; L209-A237 HydrophobicContact CD1-CB 4.49Å
210	Q	95.4	Very high	94.6	Very high	50 Å²	50	72.1 Å²	72.1	23%	0.234	35%	0.354	C	S	.	.	H	α-helix	trans	-64.3	-44.2	179	-174.5	57.2	41.6	0	0	112.6	G208 V212 A213 E214	G208-Q210 VanDerWaalsContact C-N 3.28Å; G208-Q210 PolarHBondContact O-N 3.24Å; Q210-V212 VanDerWaalsContact C-N 3.28Å; Q210-V212 PolarHBondContact O-N 3.25Å; Q210-A213 WeakPolarHBondContact O-CB 3.46Å; Q210-A213 PolarHBondContact O-N 3.01Å; Q210-E214 PolarHBondContact NE2-OE1 3.25Å; Q210-E214 WeakPolarHBondContact O-CG 3.45Å; Q210-E214 PolarHBondContact O-N 3.25Å; Q210-E214 VanDerWaalsContact O-N 3.08Å
211	E	96.3	Very high	94.8	Very high	101 Å²	101	69.9 Å²	69.9	47%	0.472	35%	0.346	S	S	.	.	H	α-helix	trans	-64.9	-35	177.7	-62.6	-179.2	156.6	0	0	111.6	G207 G208 Q215	G207-E211 WeakPolarHBondContact CA-OE2 3.34Å; G208-E211 PolarHBondContact N-OE2 2.97Å; G208-E211 PolarHBondContact O-N 3.44Å; G208-E211 VanDerWaalsContact O-N 3.15Å; E211-Q215 WeakPolarHBondContact O-CG 3.32Å; E211-Q215 PolarHBondContact O-N 2.94Å; E211-Q215 VanDerWaalsContact O-N 3.12Å; E211-Q215 PolarHBondContact O-NE2 3.36Å
212	V	96.2	Very high	94.9	Very high	0 Å²	0	69 Å²	69	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-69.9	-42.2	176.6	171.3	0	0	0	0	110.7	F156 M199 L205 G208 L209 Q210 E214 Q215 L216	F156-V212 HydrophobicContact CE2-CB 4.45Å; F156-V212 HydrophobicContact CE2-CG2 4.16Å; F156-V212 HydrophobicContact CZ-CG2 4.2Å; M199-V212 HydrophobicContact CE-CG2 3.26Å; M199-V212 HydrophobicContact SD-CG1 4.25Å; M199-V212 HydrophobicContact SD-CG2 3.69Å; L205-V212 HydrophobicContact CD1-CG1 4.17Å; L205-V212 HydrophobicContact CD2-CG1 4.31Å; L205-V212 HydrophobicContact CG-CG1 4.27Å; G208-V212 WeakPolarHBondContact O-CG2 3.34Å; G208-V212 PolarHBondContact O-N 3.28Å; L209-V212 PolarHBondContact O-N 2.92Å; Q210-V212 VanDerWaalsContact C-N 3.28Å; Q210-V212 PolarHBondContact O-N 3.25Å; V212-E214 VanDerWaalsContact C-N 3.31Å; V212-E214 PolarHBondContact O-N 3.43Å; V212-Q215 PolarHBondContact O-N 3.39Å; V212-L216 HydrophobicContact CG1-CD1 3.83Å; V212-L216 HydrophobicContact CG1-CG 4.37Å; V212-L216 WeakPolarHBondContact O-CB 3.46Å; V212-L216 WeakPolarHBondContact O-CG 3.37Å; V212-L216 PolarHBondContact O-N 2.96Å
213	A	96.4	Very high	95	Very high	1 Å²	1	71.3 Å²	71.3	1%	0.008	36%	0.361	C	S	.	.	H	α-helix	trans	-58.3	-43.1	174.7	0	0	0	0	0	112.1	L209 Q210 L216 E217 L218 L233	L209-A213 WeakPolarHBondContact O-CB 3.4Å; L209-A213 PolarHBondContact O-N 3.34Å; Q210-A213 WeakPolarHBondContact O-CB 3.46Å; Q210-A213 PolarHBondContact O-N 3.01Å; A213-L216 CarbonylContact O-C 3.48Å; A213-L216 PolarHBondContact O-N 2.89Å; A213-E217 PolarHBondContact O-N 3.12Å; A213-L218 HydrophobicContact CB-CB 4.18Å; A213-L218 PolarHBondContact O-N 3.15Å; A213-L233 HydrophobicContact CB-CD1 3.72Å; A213-L233 HydrophobicContact CB-CD2 3.71Å; A213-L233 HydrophobicContact CB-CG 3.94Å
214	E	96.7	Very high	95.2	Very high	126 Å²	126	66.6 Å²	66.6	59%	0.589	34%	0.342	S	S	*	.	H	α-helix	trans	-63.3	-43.1	175.9	-71.2	167.6	-165.3	0	0	112.2	Q210 V212 L216 E217	Q210-E214 PolarHBondContact NE2-OE1 3.25Å; Q210-E214 WeakPolarHBondContact O-CG 3.45Å; Q210-E214 PolarHBondContact O-N 3.25Å; Q210-E214 VanDerWaalsContact O-N 3.08Å; V212-E214 VanDerWaalsContact C-N 3.31Å; V212-E214 PolarHBondContact O-N 3.43Å; E214-L216 PolarHBondContact O-N 3.41Å; E214-E217 PolarHBondContact O-N 3.13Å; E214-E217 VanDerWaalsContact O-N 3.13Å
215	Q	96.4	Very high	95.6	Very high	83 Å²	83	61.4 Å²	61.4	39%	0.388	31%	0.313	S	S	.	.	H	α-helix	trans	-64.7	-28.6	176.1	-75.9	164.7	69.4	0	0	113.3	N204 L205 K206 E211 V212	N204-Q215 PolarHBondContact O-OE1 2.92Å; N204-Q215 VanDerWaalsContact O-OE1 3.13Å; L205-Q215 HydrophobicContact CD1-CB 3.88Å; K206-Q215 PolarHBondContact O-NE2 2.87Å; E211-Q215 WeakPolarHBondContact O-CG 3.32Å; E211-Q215 PolarHBondContact O-N 2.94Å; E211-Q215 VanDerWaalsContact O-N 3.12Å; E211-Q215 PolarHBondContact O-NE2 3.36Å; V212-Q215 PolarHBondContact O-N 3.39Å
216	L	96.1	Very high	95.9	Very high	8 Å²	8	61.7 Å²	61.7	4%	0.042	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	4.3	176.7	-64.9	177.3	0	0	0	113.1	L205 V212 A213 E214 L218 A237 K240 M241 M244 F245	L205-L216 HydrophobicContact CD1-CD2 4.1Å; L205-L216 HydrophobicContact CD1-CG 4.16Å; L205-L216 HydrophobicContact CD2-CD2 4.37Å; V212-L216 HydrophobicContact CG1-CD1 3.83Å; V212-L216 HydrophobicContact CG1-CG 4.37Å; V212-L216 WeakPolarHBondContact O-CB 3.46Å; V212-L216 WeakPolarHBondContact O-CG 3.37Å; V212-L216 PolarHBondContact O-N 2.96Å; A213-L216 CarbonylContact O-C 3.48Å; A213-L216 PolarHBondContact O-N 2.89Å; E214-L216 PolarHBondContact O-N 3.41Å; L216-L218 VanDerWaalsContact C-N 3.31Å; L216-L218 HydrophobicContact CB-CD1 3.87Å; L216-L218 HydrophobicContact CB-CG 3.82Å; L216-L218 HydrophobicContact CD1-CD1 4.17Å; L216-L218 PolarHBondContact O-N 3.05Å; L216-A237 HydrophobicContact CD1-CB 4.23Å; L216-K240 HydrophobicContact CB-CG 4.15Å; L216-K240 HydrophobicContact CD2-CG 4.43Å; L216-M241 HydrophobicContact CD1-CB 4.4Å; L216-M244 HydrophobicContact CD2-CE 4.48Å; L216-M244 HydrophobicContact CD2-SD 3.88Å; L216-F245 HydrophobicContact CD2-CE2 4.13Å
217	E	97.6	Very high	96.2	Very high	184 Å²	184	54.2 Å²	54.2	86%	0.86	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	42.4	-178.8	-57	180	174.1	0	0	113	A213 E214	A213-E217 PolarHBondContact O-N 3.12Å; E214-E217 PolarHBondContact O-N 3.13Å; E214-E217 VanDerWaalsContact O-N 3.13Å
218	L	97.2	Very high	96.4	Very high	40 Å²	40	53.2 Å²	53.2	21%	0.209	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-96.4	138	-179.5	-59.8	175.6	0	0	0	111.7	A213 L216 L233 M236 A237 K240	A213-L218 HydrophobicContact CB-CB 4.18Å; A213-L218 PolarHBondContact O-N 3.15Å; L216-L218 VanDerWaalsContact C-N 3.31Å; L216-L218 HydrophobicContact CB-CD1 3.87Å; L216-L218 HydrophobicContact CB-CG 3.82Å; L216-L218 HydrophobicContact CD1-CD1 4.17Å; L216-L218 PolarHBondContact O-N 3.05Å; L218-L233 HydrophobicContact CB-CD1 4.19Å; L218-M236 HydrophobicContact CD1-CB 3.94Å; L218-M236 HydrophobicContact CD2-CB 4.31Å; L218-A237 HydrophobicContact CD1-CB 4.09Å; L218-K240 HydrophobicContact CD1-CB 4.43Å; L218-K240 HydrophobicContact CD2-CB 4.11Å; L218-K240 HydrophobicContact CD2-CG 4.13Å
219	E	97.1	Very high	96.6	Very high	166 Å²	166	52.2 Å²	52.2	78%	0.776	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-96.5	119.3	175.5	-172.6	177.6	-175.3	0	0	110.4
220	R	97.3	Very high	96.7	Very high	46 Å²	46	52 Å²	52	17%	0.174	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-67.5	137.3	175.6	176.3	-179.5	-72	-86.8	9.8	110.9	S229 D230 L233	R220-S229 PolarHBondContact NH1-OG 3.42Å; R220-D230 IonicContact CZ-OD1 3.55Å; R220-D230 IonicContact NH1-OD1 2.85Å; R220-D230 PolarHBondContact NH1-OD1 3.27Å; R220-D230 IonicContact NH1-OD2 3.43Å; R220-D230 IonicContact NH2-OD1 3.59Å; R220-D230 PolarHBondContact NH2-OD1 3.05Å; R220-L233 HydrophobicContact CB-CD1 4.49Å; R220-L233 VanDerWaalsContact CZ-CD2 3.42Å
221	I	96.4	Very high	96.9	Very high	38 Å²	38	49.6 Å²	49.6	20%	0.195	25%	0.248	C	C	.	.			trans	-116	119	171	-59.6	173.6	0	0	0	108.3	I12 S229 L232 M236	I12-I221 WeakPolarHBondContact CD1-O 3.42Å; I221-S229 PolarHBondContact O-OG 2.84Å; I221-L232 HydrophobicContact CB-CD2 3.9Å; I221-L232 HydrophobicContact CG2-CD2 4.29Å; I221-M236 HydrophobicContact CD1-CE 3.91Å; I221-M236 HydrophobicContact CG1-CE 4.37Å
222	G	95.9	Very high	97	Very high	40 Å²	40	44.9 Å²	44.9	41%	0.412	23%	0.226	S	C	.	.	S	Bend	trans	102	174.5	-177.1	0	0	0	0	0	113.1	S229	G222-S229 PolarHBondContact O-OG 3.18Å
223	P	95.6	Very high	97.1	Very high	57 Å²	57	45 Å²	45	37%	0.37	23%	0.226	S	C	.	.			trans	-65.9	142.7	-179.8	26.2	-32.1	0	0	0	111.3	Q226 S229	P223-Q226 HydrophobicContact CB-CG 4.14Å; P223-Q226 HydrophobicContact CG-CB 3.98Å; P223-Q226 HydrophobicContact CG-CG 3.81Å; P223-S229 WeakPolarHBondContact O-CB 3.48Å; P223-S229 PolarHBondContact O-OG 3.19Å
224	Q	94.3	Very high	97.2	Very high	82 Å²	82	44.9 Å²	44.9	38%	0.383	23%	0.226	S	C	.	.	S	Bend	trans	-74.5	148.9	172	-173	-175.9	-14.1	0	0	109.8	S119 Q226	S119-Q224 WeakPolarHBondContact CB-O 3.35Å; Q224-Q226 VanDerWaalsContact C-N 3.34Å
225	H	93.9	Very high	97.3	Very high	40 Å²	40	38.9 Å²	38.9	19%	0.185	20%	0.198	C	C	.	.	S	Bend	trans	60.3	45.2	-177.1	-56.4	-67.3	0	0	0	112.1	E42 S119 D230 E280	E42-H225 WeakPolarHBondContact OE1-CA 3.36Å; S119-H225 WeakPolarHBondContact CB-O 3.08Å; S119-H225 WeakPolarHBondContact OG-CB 3.46Å; H225-D230 WeakPolarHBondContact CA-OD2 3.23Å; H225-D230 PolarHBondContact N-OD2 3.26Å; H225-E280 IonicContact CE1-OE1 2.8Å; H225-E280 PolarHBondContact CE1-OE1 3.47Å; H225-E280 IonicContact ND1-OE1 2.65Å; H225-E280 IonicContact NE2-OE1 2.94Å
226	Q	98.3	Very high	97.4	Very high	21 Å²	21	36.5 Å²	36.5	10%	0.098	19%	0.187	C	C	.	.	S	Bend	trans	-140.8	129.2	165.2	-66.6	-165.1	20.2	0	0	107.8	E42 S119 I121 P223 Q224 G228 S229 D230	E42-Q226 PolarHBondContact OE1-N 3.09Å; S119-Q226 PolarHBondContact O-NE2 2.96Å; I121-Q226 HydrophobicContact CD1-CG 4.01Å; P223-Q226 HydrophobicContact CB-CG 4.14Å; P223-Q226 HydrophobicContact CG-CB 3.98Å; P223-Q226 HydrophobicContact CG-CG 3.81Å; Q224-Q226 VanDerWaalsContact C-N 3.34Å; Q226-G228 PolarHBondContact O-N 3.44Å; Q226-S229 PolarHBondContact O-N 3.37Å; Q226-D230 PolarHBondContact N-OD2 3.08Å; Q226-D230 PolarHBondContact O-N 3.46Å
227	A	98.4	Very high	97.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-53.9	-35.4	-166.6	0	0	0	0	0	113.4	D40 E42 Q76 G78 S231	D40-A227 WeakPolarHBondContact O-CB 3.35Å; E42-A227 HydrophobicContact CG-CB 4.15Å; Q76-A227 HydrophobicContact CB-CB 3.76Å; G78-A227 WeakPolarHBondContact CA-O 3.26Å; A227-S231 WeakPolarHBondContact O-CB 3.32Å; A227-S231 PolarHBondContact O-N 3.33Å; A227-S231 PolarHBondContact O-OG 3.01Å
228	G	98.5	Very high	97.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.9	-57	176.8	0	0	0	0	0	112.2	T94 Q226 S231 L232	T94-G228 WeakPolarHBondContact CG2-O 3.36Å; Q226-G228 PolarHBondContact O-N 3.44Å; G228-S231 PolarHBondContact O-N 3.25Å; G228-S231 PolarHBondContact O-OG 3.31Å; G228-L232 PolarHBondContact O-N 3.22Å; G228-L232 VanDerWaalsContact O-N 3.11Å
229	S	98.5	Very high	97.7	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.007	14%	0.139	C	C	.	.	H	α-helix	trans	-63.1	-41.5	179.3	173.5	0	0	0	0	112.4	R220 I221 G222 P223 Q226 L232 L233	R220-S229 PolarHBondContact NH1-OG 3.42Å; I221-S229 PolarHBondContact O-OG 2.84Å; G222-S229 PolarHBondContact O-OG 3.18Å; P223-S229 WeakPolarHBondContact O-CB 3.48Å; P223-S229 PolarHBondContact O-OG 3.19Å; Q226-S229 PolarHBondContact O-N 3.37Å; S229-L232 PolarHBondContact O-N 3.44Å; S229-L233 PolarHBondContact O-N 2.83Å
230	D	98.6	Very high	97.7	Very high	8 Å²	8	22 Å²	22	4%	0.043	12%	0.116	C	C	.	.	H	α-helix	trans	-68.7	-38.1	178.7	-73.1	-50.7	0	0	0	112.5	D40 L209 R220 H225 Q226 L232 L233 T234	D40-D230 HydrophobicContact CB-CB 4.03Å; D40-D230 WeakPolarHBondContact OD2-CB 3.4Å; L209-D230 HydrophobicContact CD2-CB 4.08Å; R220-D230 IonicContact CZ-OD1 3.55Å; R220-D230 IonicContact NH1-OD1 2.85Å; R220-D230 PolarHBondContact NH1-OD1 3.27Å; R220-D230 IonicContact NH1-OD2 3.43Å; R220-D230 IonicContact NH2-OD1 3.59Å; R220-D230 PolarHBondContact NH2-OD1 3.05Å; H225-D230 WeakPolarHBondContact CA-OD2 3.23Å; H225-D230 PolarHBondContact N-OD2 3.26Å; Q226-D230 PolarHBondContact N-OD2 3.08Å; Q226-D230 PolarHBondContact O-N 3.46Å; D230-L232 VanDerWaalsContact C-N 3.31Å; D230-L232 PolarHBondContact O-N 2.82Å; D230-L233 PolarHBondContact O-N 3.35Å; D230-T234 VanDerWaalsContact O-CB 3.3Å; D230-T234 WeakPolarHBondContact O-CB 3.48Å; D230-T234 PolarHBondContact O-N 3.32Å; D230-T234 PolarHBondContact O-OG1 3.45Å
231	S	98.8	Very high	97.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.6	-38.2	171.5	77	0	0	0	0	112.1	A38 G78 T80 A227 G228 T234 G235	A38-S231 WeakPolarHBondContact CB-O 3.47Å; G78-S231 WeakPolarHBondContact O-CB 3.48Å; T80-S231 PolarHBondContact OG1-OG 2.83Å; A227-S231 WeakPolarHBondContact O-CB 3.32Å; A227-S231 PolarHBondContact O-N 3.33Å; A227-S231 PolarHBondContact O-OG 3.01Å; G228-S231 PolarHBondContact O-N 3.25Å; G228-S231 PolarHBondContact O-OG 3.31Å; S231-T234 PolarHBondContact O-N 2.55Å; S231-G235 PolarHBondContact O-N 3.46Å
232	L	98.8	Very high	97.8	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-67.3	-45.1	178	176.4	57.6	0	0	0	110.8	R11 T80 Y88 I221 G228 S229 D230 T234 G235 M236	R11-L232 HydrophobicContact CG-CD2 4.48Å; T80-L232 HydrophobicContact CG2-CB 4.45Å; T80-L232 HydrophobicContact CG2-CD1 3.69Å; T80-L232 VanDerWaalsContact OG1-CA 3.3Å; T80-L232 WeakPolarHBondContact OG1-CA 3.48Å; T80-L232 PolarHBondContact OG1-N 3.14Å; Y88-L232 HydrophobicContact CD1-CD1 4.38Å; Y88-L232 HydrophobicContact CE1-CD1 3.5Å; I221-L232 HydrophobicContact CB-CD2 3.9Å; I221-L232 HydrophobicContact CG2-CD2 4.29Å; G228-L232 PolarHBondContact O-N 3.22Å; G228-L232 VanDerWaalsContact O-N 3.11Å; S229-L232 PolarHBondContact O-N 3.44Å; D230-L232 VanDerWaalsContact C-N 3.31Å; D230-L232 PolarHBondContact O-N 2.82Å; L232-T234 VanDerWaalsContact C-N 3.34Å; L232-G235 PolarHBondContact O-N 2.81Å; L232-M236 HydrophobicContact CD1-CE 3.99Å; L232-M236 HydrophobicContact CD2-CE 4.27Å; L232-M236 HydrophobicContact CG-CE 3.91Å; L232-M236 WeakPolarHBondContact O-CG 3.49Å; L232-M236 PolarHBondContact O-N 2.91Å
233	L	98.6	Very high	97.9	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-66	-37	177.2	-170.6	65.4	0	0	0	111.9	L209 A213 L218 R220 S229 D230 G235 M236 A237	L209-L233 HydrophobicContact CD1-CG 4.49Å; L209-L233 HydrophobicContact CD2-CD2 4.42Å; L209-L233 HydrophobicContact CG-CD2 4.1Å; L209-L233 HydrophobicContact CG-CG 4.44Å; A213-L233 HydrophobicContact CB-CD1 3.72Å; A213-L233 HydrophobicContact CB-CD2 3.71Å; A213-L233 HydrophobicContact CB-CG 3.94Å; L218-L233 HydrophobicContact CB-CD1 4.19Å; R220-L233 HydrophobicContact CB-CD1 4.49Å; R220-L233 VanDerWaalsContact CZ-CD2 3.42Å; S229-L233 PolarHBondContact O-N 2.83Å; D230-L233 PolarHBondContact O-N 3.35Å; L233-G235 VanDerWaalsContact C-N 3.32Å; L233-G235 PolarHBondContact O-N 2.85Å; L233-M236 HydrophobicContact CD1-SD 4.29Å; L233-M236 PolarHBondContact O-N 2.89Å; L233-A237 WeakPolarHBondContact O-CB 3.4Å; L233-A237 PolarHBondContact O-N 3.03Å
234	T	98.8	Very high	97.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-58.5	-44.2	171.8	-68.4	0	0	0	0	111.4	A38 F156 V195 L209 D230 S231 L232 A237 F238	A38-T234 HydrophobicContact CB-CG2 4.38Å; F156-T234 HydrophobicContact CB-CG2 4.24Å; V195-T234 HydrophobicContact CG2-CG2 4.5Å; L209-T234 WeakPolarHBondContact CD2-OG1 3.33Å; D230-T234 VanDerWaalsContact O-CB 3.3Å; D230-T234 WeakPolarHBondContact O-CB 3.48Å; D230-T234 PolarHBondContact O-N 3.32Å; D230-T234 PolarHBondContact O-OG1 3.45Å; S231-T234 PolarHBondContact O-N 2.55Å; L232-T234 VanDerWaalsContact C-N 3.34Å; T234-A237 PolarHBondContact O-N 3.14Å; T234-F238 PolarHBondContact O-N 3.35Å
235	G	98.8	Very high	98	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.4	-47.1	174	0	0	0	0	0	113	S231 L232 L233 A237 F238 F239	S231-G235 PolarHBondContact O-N 3.46Å; L232-G235 PolarHBondContact O-N 2.81Å; L233-G235 VanDerWaalsContact C-N 3.32Å; L233-G235 PolarHBondContact O-N 2.85Å; G235-A237 PolarHBondContact O-N 3.09Å; G235-F238 PolarHBondContact O-N 3.36Å; G235-F239 WeakPolarHBondContact O-CD2 3.48Å; G235-F239 PolarHBondContact O-N 2.99Å; G235-F239 VanDerWaalsContact O-N 3.16Å
236	M	98.6	Very high	98.2	Very high	32 Å²	32	22.9 Å²	22.9	16%	0.158	11%	0.105	C	C	.	.	H	α-helix	trans	-59.5	-46.7	175.9	-66.5	174.8	176.9	0	0	111.7	Y88 L218 I221 L232 L233 F238 F239 K240	Y88-M236 VanDerWaalsContact OH-CG 3.26Å; Y88-M236 WeakPolarHBondContact OH-CG 3.26Å; L218-M236 HydrophobicContact CD1-CB 3.94Å; L218-M236 HydrophobicContact CD2-CB 4.31Å; I221-M236 HydrophobicContact CD1-CE 3.91Å; I221-M236 HydrophobicContact CG1-CE 4.37Å; L232-M236 HydrophobicContact CD1-CE 3.99Å; L232-M236 HydrophobicContact CD2-CE 4.27Å; L232-M236 HydrophobicContact CG-CE 3.91Å; L232-M236 WeakPolarHBondContact O-CG 3.49Å; L232-M236 PolarHBondContact O-N 2.91Å; L233-M236 HydrophobicContact CD1-SD 4.29Å; L233-M236 PolarHBondContact O-N 2.89Å; M236-F238 PolarHBondContact O-N 3.11Å; M236-F239 PolarHBondContact O-N 2.77Å; M236-K240 VanDerWaalsContact O-CB 3.31Å; M236-K240 WeakPolarHBondContact O-CB 3.45Å; M236-K240 PolarHBondContact O-N 3.27Å
237	A	98.6	Very high	98.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60	-44.7	179	0	0	0	0	0	111.6	L209 L216 L218 L233 T234 G235 M241	L209-A237 HydrophobicContact CD1-CB 4.49Å; L216-A237 HydrophobicContact CD1-CB 4.23Å; L218-A237 HydrophobicContact CD1-CB 4.09Å; L233-A237 WeakPolarHBondContact O-CB 3.4Å; L233-A237 PolarHBondContact O-N 3.03Å; T234-A237 PolarHBondContact O-N 3.14Å; G235-A237 PolarHBondContact O-N 3.09Å; A237-M241 WeakPolarHBondContact O-CB 3.31Å; A237-M241 PolarHBondContact O-N 3.41Å
238	F	98.8	Very high	97.9	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59	-55.3	177.2	174.7	-95.9	0	0	0	112.1	Y36 L154 Y193 V195 L198 T234 G235 M236 K240 M241 R242 I250	Y36-F238 HydrophobicContact CD1-CE1 4.29Å; Y36-F238 AromaticContact CE1-CE1 3.87Å; Y36-F238 HydrophobicContact CE1-CE1 3.87Å; Y36-F238 HydrophobicContact CE1-CZ 4.28Å; L154-F238 HydrophobicContact CD1-CB 3.91Å; L154-F238 HydrophobicContact CD1-CD1 3.42Å; L154-F238 VanDerWaalsContact CD1-CD1 3.42Å; L154-F238 HydrophobicContact CD1-CE1 4.05Å; L154-F238 HydrophobicContact CD1-CG 3.68Å; L154-F238 HydrophobicContact CD2-CD1 3.69Å; L154-F238 HydrophobicContact CD2-CD2 3.67Å; L154-F238 HydrophobicContact CD2-CE1 3.67Å; L154-F238 HydrophobicContact CD2-CE2 3.63Å; L154-F238 HydrophobicContact CD2-CG 3.69Å; L154-F238 HydrophobicContact CD2-CZ 3.63Å; L154-F238 HydrophobicContact CG-CD1 4.16Å; L154-F238 HydrophobicContact CG-CG 4.17Å; Y193-F238 AromaticContact CD2-CE2 3.9Å; Y193-F238 HydrophobicContact CD2-CE2 3.9Å; Y193-F238 AromaticContact CD2-CZ 3.94Å; Y193-F238 HydrophobicContact CD2-CZ 3.94Å; Y193-F238 HydrophobicContact CE2-CZ 4.43Å; Y193-F238 HydrophobicContact CG-CE2 4.13Å; V195-F238 HydrophobicContact CG2-CB 3.81Å; V195-F238 HydrophobicContact CG2-CD2 4.12Å; V195-F238 HydrophobicContact CG2-CG 4.48Å; L198-F238 HydrophobicContact CD2-CD2 4.47Å; L198-F238 HydrophobicContact CD2-CE2 4.11Å; T234-F238 PolarHBondContact O-N 3.35Å; G235-F238 PolarHBondContact O-N 3.36Å; M236-F238 PolarHBondContact O-N 3.11Å; F238-K240 VanDerWaalsContact C-N 3.34Å; F238-K240 PolarHBondContact O-N 3.44Å; F238-M241 PolarHBondContact O-N 3.43Å; F238-R242 WeakPolarHBondContact O-CB 2.86Å; F238-R242 PolarHBondContact O-N 3.3Å; F238-I250 HydrophobicContact CE2-CG1 4.21Å; F238-I250 HydrophobicContact CZ-CG1 4.04Å
239	F	98.6	Very high	97.8	Very high	24 Å²	24	41.6 Å²	41.6	11%	0.105	20%	0.196	C	C	.	.	H	α-helix	trans	-65.8	-38.6	-175.6	-80.7	-74.4	0	0	0	111.9	Y36 M82 N83 L154 G235 M236 R242 E243	Y36-F239 HydrophobicContact CD1-CE2 4.37Å; Y36-F239 AromaticContact CD1-CZ 3.77Å; Y36-F239 HydrophobicContact CD1-CZ 3.77Å; Y36-F239 HydrophobicContact CD2-CZ 4.43Å; Y36-F239 HydrophobicContact CE1-CZ 4.13Å; Y36-F239 AromaticContact CG-CZ 3.9Å; Y36-F239 HydrophobicContact CG-CZ 3.9Å; M82-F239 HydrophobicContact CB-CE2 3.87Å; M82-F239 HydrophobicContact CB-CZ 4.38Å; M82-F239 HydrophobicContact CE-CD2 4.43Å; M82-F239 HydrophobicContact CE-CE2 3.93Å; M82-F239 HydrophobicContact CG-CE2 4.29Å; M82-F239 HydrophobicContact SD-CD2 3.72Å; M82-F239 HydrophobicContact SD-CE2 3.54Å; M82-F239 VanDerWaalsContact SD-CE2 3.54Å; N83-F239 WeakPolarHBondContact O-CZ 3.5Å; L154-F239 HydrophobicContact CD1-CE2 3.99Å; G235-F239 WeakPolarHBondContact O-CD2 3.48Å; G235-F239 PolarHBondContact O-N 2.99Å; G235-F239 VanDerWaalsContact O-N 3.16Å; M236-F239 PolarHBondContact O-N 2.77Å; F239-R242 PolarHBondContact O-N 3.16Å; F239-E243 PolarHBondContact O-N 3.49Å; F239-E243 VanDerWaalsContact O-N 3.09Å
240	K	98.3	Very high	97.8	Very high	69 Å²	69	42.1 Å²	42.1	30%	0.3	20%	0.198	S	C	.	.	H	α-helix	trans	-66.1	-42.6	176.3	-171.5	59.3	178.6	171	0	112.2	L216 L218 M236 F238 E243 M244	L216-K240 HydrophobicContact CB-CG 4.15Å; L216-K240 HydrophobicContact CD2-CG 4.43Å; L218-K240 HydrophobicContact CD1-CB 4.43Å; L218-K240 HydrophobicContact CD2-CB 4.11Å; L218-K240 HydrophobicContact CD2-CG 4.13Å; M236-K240 VanDerWaalsContact O-CB 3.31Å; M236-K240 WeakPolarHBondContact O-CB 3.45Å; M236-K240 PolarHBondContact O-N 3.27Å; F238-K240 VanDerWaalsContact C-N 3.34Å; F238-K240 PolarHBondContact O-N 3.44Å; K240-E243 WeakPolarHBondContact CD-OE2 3.33Å; K240-E243 IonicContact NZ-OE2 2.87Å; K240-E243 PolarHBondContact NZ-OE2 3.13Å; K240-E243 PolarHBondContact O-N 2.7Å; K240-M244 HydrophobicContact CD-SD 4.15Å; K240-M244 HydrophobicContact CG-SD 3.96Å; K240-M244 WeakPolarHBondContact O-CG 3.49Å; K240-M244 PolarHBondContact O-N 2.79Å; K240-M244 VanDerWaalsContact O-N 3.09Å
241	M	97.9	Very high	97.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.1	-40	175.9	-178.6	-177.9	62.1	0	0	111.6	V195 L198 M199 L205 L216 A237 F238 E243 M244 F245 F246	V195-M241 HydrophobicContact CB-CE 4.35Å; V195-M241 HydrophobicContact CG1-CE 3.85Å; V195-M241 HydrophobicContact CG1-SD 4.28Å; V195-M241 HydrophobicContact CG2-CE 4.35Å; L198-M241 HydrophobicContact CB-CE 3.51Å; L198-M241 HydrophobicContact CB-SD 4.21Å; L198-M241 HydrophobicContact CD2-CE 3.69Å; L198-M241 HydrophobicContact CG-CE 4.22Å; M199-M241 HydrophobicContact CG-SD 3.94Å; L205-M241 HydrophobicContact CD2-CG 4.16Å; L205-M241 HydrophobicContact CD2-SD 3.94Å; L216-M241 HydrophobicContact CD1-CB 4.4Å; A237-M241 WeakPolarHBondContact O-CB 3.31Å; A237-M241 PolarHBondContact O-N 3.41Å; F238-M241 PolarHBondContact O-N 3.43Å; M241-E243 PolarHBondContact O-N 3.31Å; M241-M244 PolarHBondContact O-N 3.25Å; M241-F245 HydrophobicContact CG-CD2 3.87Å; M241-F245 PolarHBondContact O-N 3.13Å; M241-F246 HydrophobicContact CE-CE2 4.29Å; M241-F246 HydrophobicContact CG-CD2 4.29Å; M241-F246 HydrophobicContact CG-CE2 3.92Å; M241-F246 HydrophobicContact SD-CE2 4.19Å
242	R	97.9	Very high	97.6	Very high	17 Å²	17	49.2 Å²	49.2	6%	0.064	24%	0.236	C	C	.	.	H	α-helix	trans	-59.7	-45.3	177.4	-169.3	-174.1	70.3	174.3	-1.5	111.6	E84 F238 F239 F246 E247 D248 I250	E84-R242 PolarHBondContact O-NH1 3.46Å; E84-R242 PolarHBondContact O-NH2 3.03Å; E84-R242 IonicContact OE1-NH1 3.79Å; E84-R242 PolarHBondContact OE1-NH1 3.35Å; F238-R242 WeakPolarHBondContact O-CB 2.86Å; F238-R242 PolarHBondContact O-N 3.3Å; F239-R242 PolarHBondContact O-N 3.16Å; R242-F246 HydrophobicContact CG-CB 4.46Å; R242-F246 CarbonylContact O-C 3.54Å; R242-F246 WeakPolarHBondContact O-CA 3.29Å; R242-F246 WeakPolarHBondContact O-CB 3.45Å; R242-F246 PolarHBondContact O-N 2.98Å; R242-F246 VanDerWaalsContact O-N 3.15Å; R242-E247 PolarHBondContact O-N 2.85Å; R242-D248 IonicContact NE-OD1 3.7Å; R242-D248 PolarHBondContact O-N 2.85Å; R242-I250 HydrophobicContact CG-CD1 4.01Å; R242-I250 HydrophobicContact CG-CG1 4.07Å
243	E	97.1	Very high	97.4	Very high	102 Å²	102	53.6 Å²	53.6	48%	0.477	27%	0.272	S	S	.	.	H	α-helix	trans	-59.6	-52.2	174.4	-180	-166.4	-166.9	0	0	110.8	F239 K240 M241	F239-E243 PolarHBondContact O-N 3.49Å; F239-E243 VanDerWaalsContact O-N 3.09Å; K240-E243 WeakPolarHBondContact CD-OE2 3.33Å; K240-E243 IonicContact NZ-OE2 2.87Å; K240-E243 PolarHBondContact NZ-OE2 3.13Å; K240-E243 PolarHBondContact O-N 2.7Å; M241-E243 PolarHBondContact O-N 3.31Å
244	M	96.5	Very high	97.2	Very high	99 Å²	99	58.4 Å²	58.4	49%	0.488	29%	0.293	S	S	.	.	H	α-helix	trans	-75.6	-34.2	-169	-70.5	177.7	67.2	0	0	114.8	L216 K240 M241	L216-M244 HydrophobicContact CD2-CE 4.48Å; L216-M244 HydrophobicContact CD2-SD 3.88Å; K240-M244 HydrophobicContact CD-SD 4.15Å; K240-M244 HydrophobicContact CG-SD 3.96Å; K240-M244 WeakPolarHBondContact O-CG 3.49Å; K240-M244 PolarHBondContact O-N 2.79Å; K240-M244 VanDerWaalsContact O-N 3.09Å; M241-M244 PolarHBondContact O-N 3.25Å
245	F	96.8	Very high	97.1	Very high	79 Å²	79	59 Å²	59	35%	0.346	30%	0.296	S	S	.	.	H	α-helix	trans	-119.9	-13.1	-168.2	-62.2	-83.9	0	0	0	114.2	C202 L205 L216 M241	C202-F245 HydrophobicContact CB-CD1 3.9Å; C202-F245 HydrophobicContact CB-CD2 4.37Å; C202-F245 HydrophobicContact CB-CE1 4.15Å; C202-F245 HydrophobicContact CB-CG 4.01Å; C202-F245 HydrophobicContact CB-CZ 4.5Å; L205-F245 HydrophobicContact CD2-CE2 4.28Å; L216-F245 HydrophobicContact CD2-CE2 4.13Å; M241-F245 HydrophobicContact CG-CD2 3.87Å; M241-F245 PolarHBondContact O-N 3.13Å
246	F	96.4	Very high	97	Very high	25 Å²	25	60.5 Å²	60.5	11%	0.11	31%	0.306	C	S	.	.	H	α-helix	trans	-129.2	11.9	-171.1	-63.2	-85.9	0	0	0	113.8	L198 C202 M241 R242 D248 H249 I250 Y255	L198-F246 HydrophobicContact CB-CE2 4.43Å; L198-F246 HydrophobicContact CB-CZ 4.15Å; L198-F246 HydrophobicContact CD2-CE2 4.36Å; L198-F246 HydrophobicContact CD2-CZ 4.35Å; L198-F246 HydrophobicContact CG-CZ 4.44Å; C202-F246 WeakPolarHBondContact SG-CE2 3.21Å; M241-F246 HydrophobicContact CE-CE2 4.29Å; M241-F246 HydrophobicContact CG-CD2 4.29Å; M241-F246 HydrophobicContact CG-CE2 3.92Å; M241-F246 HydrophobicContact SD-CE2 4.19Å; R242-F246 HydrophobicContact CG-CB 4.46Å; R242-F246 CarbonylContact O-C 3.54Å; R242-F246 WeakPolarHBondContact O-CA 3.29Å; R242-F246 WeakPolarHBondContact O-CB 3.45Å; R242-F246 PolarHBondContact O-N 2.98Å; R242-F246 VanDerWaalsContact O-N 3.15Å; F246-D248 PolarHBondContact O-N 2.68Å; F246-H249 WeakPolarHBondContact CB-O 3.34Å; F246-H249 CarbonylContact O-C 3.39Å; F246-H249 PolarHBondContact O-N 2.8Å; F246-I250 HydrophobicContact CB-CD1 3.7Å; F246-I250 HydrophobicContact CD1-CD1 3.77Å; F246-I250 HydrophobicContact CD2-CD1 3.85Å; F246-I250 HydrophobicContact CE1-CD1 4.33Å; F246-I250 HydrophobicContact CE2-CD1 4.39Å; F246-I250 HydrophobicContact CG-CD1 3.5Å; F246-I250 VanDerWaalsContact CG-CD1 3.5Å; F246-Y255 HydrophobicContact CD1-CE2 4.35Å; F246-Y255 HydrophobicContact CE1-CE1 4.4Å; F246-Y255 AromaticContact CE1-CE2 3.77Å; F246-Y255 HydrophobicContact CE1-CE2 3.77Å; F246-Y255 AromaticContact CE1-CZ 3.68Å
247	E	96.3	Very high	96.9	Very high	183 Å²	183	59.8 Å²	59.8	86%	0.855	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	40.9	176.4	-56.8	178.1	-171.8	0	0	112.3	R242 H249	R242-E247 PolarHBondContact O-N 2.85Å; E247-H249 PolarHBondContact O-N 2.79Å; E247-H249 VanDerWaalsContact O-N 3.16Å
248	D	95.6	Very high	96.7	Very high	93 Å²	93	62.6 Å²	62.6	50%	0.497	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	14.2	-176.9	-72.5	-55.3	0	0	0	115.8	R242 F246	R242-D248 IonicContact NE-OD1 3.7Å; R242-D248 PolarHBondContact O-N 2.85Å; F246-D248 PolarHBondContact O-N 2.68Å
249	H	96.2	Very high	96.6	Very high	139 Å²	139	62.7 Å²	62.7	64%	0.644	32%	0.32	S	S	*	.			trans	-137.7	125.5	-177.1	-175.1	70.4	0	0	0	113.6	F246 E247	F246-H249 WeakPolarHBondContact CB-O 3.34Å; F246-H249 CarbonylContact O-C 3.39Å; F246-H249 PolarHBondContact O-N 2.8Å; E247-H249 PolarHBondContact O-N 2.79Å; E247-H249 VanDerWaalsContact O-N 3.16Å
250	I	97.8	Very high	96.3	Very high	12 Å²	12	63.3 Å²	63.3	6%	0.062	32%	0.322	C	S	.	.			trans	-100.5	130.2	174.9	-58.4	-58.2	0	0	0	110	Y193 L198 F238 R242 F246 D252 Y255	Y193-I250 HydrophobicContact CD1-CG2 3.82Å; Y193-I250 HydrophobicContact CE1-CB 4.34Å; Y193-I250 HydrophobicContact CE1-CG2 3.51Å; L198-I250 HydrophobicContact CD2-CD1 3.7Å; L198-I250 HydrophobicContact CD2-CG1 4.34Å; L198-I250 HydrophobicContact CD2-CG2 4.46Å; F238-I250 HydrophobicContact CE2-CG1 4.21Å; F238-I250 HydrophobicContact CZ-CG1 4.04Å; R242-I250 HydrophobicContact CG-CD1 4.01Å; R242-I250 HydrophobicContact CG-CG1 4.07Å; F246-I250 HydrophobicContact CB-CD1 3.7Å; F246-I250 HydrophobicContact CD1-CD1 3.77Å; F246-I250 HydrophobicContact CD2-CD1 3.85Å; F246-I250 HydrophobicContact CE1-CD1 4.33Å; F246-I250 HydrophobicContact CE2-CD1 4.39Å; F246-I250 HydrophobicContact CG-CD1 3.5Å; F246-I250 VanDerWaalsContact CG-CD1 3.5Å; I250-D252 PolarHBondContact O-N 3.16Å; I250-Y255 HydrophobicContact CG2-CD2 3.86Å; I250-Y255 HydrophobicContact CG2-CG 4.23Å
251	D	97.1	Very high	95.9	Very high	78 Å²	78	60.2 Å²	60.2	42%	0.417	31%	0.309	S	S	.	.			trans	-77.8	106.5	173.8	177.3	7.7	0	0	0	111.3	A253 K254 Y255	D251-A253 VanDerWaalsContact C-N 3.3Å; D251-A253 PolarHBondContact O-N 3.22Å; D251-A253 PolarHBondContact OD1-N 3.28Å; D251-A253 VanDerWaalsContact OD1-N 3.08Å; D251-K254 HydrophobicContact CB-CB 4.19Å; D251-K254 PolarHBondContact O-N 3.06Å; D251-K254 VanDerWaalsContact O-N 3.13Å; D251-Y255 HydrophobicContact CB-CD2 4.28Å; D251-Y255 HydrophobicContact CB-CE2 4.4Å; D251-Y255 WeakPolarHBondContact O-CD2 3.36Å; D251-Y255 PolarHBondContact O-N 2.71Å
252	D	96	Very high	95.5	Very high	78 Å²	78	60.3 Å²	60.3	42%	0.417	31%	0.31	S	S	.	.	H	α-helix	trans	-56.8	-41.4	-179.7	-75.1	-6.3	0	0	0	113	Y193 I250 K254 Y255 C256	Y193-D252 PolarHBondContact OH-OD1 3.36Å; I250-D252 PolarHBondContact O-N 3.16Å; D252-K254 PolarHBondContact O-N 2.74Å; D252-K254 VanDerWaalsContact O-N 3.12Å; D252-Y255 PolarHBondContact O-N 2.91Å; D252-C256 HydrophobicContact CB-CB 4.21Å; D252-C256 WeakPolarHBondContact O-CB 3.38Å; D252-C256 PolarHBondContact O-N 3.32Å
253	A	94.1	Very high	94.5	Very high	93 Å²	93	60.2 Å²	60.2	77%	0.769	31%	0.314	S	S	*	.	H	α-helix	trans	-63.7	-23.9	-177	0	0	0	0	0	112.1	D251	D251-A253 VanDerWaalsContact C-N 3.3Å; D251-A253 PolarHBondContact O-N 3.22Å; D251-A253 PolarHBondContact OD1-N 3.28Å; D251-A253 VanDerWaalsContact OD1-N 3.08Å
254	K	95.1	Very high	92.8	Very high	104 Å²	104	61.1 Å²	61.1	45%	0.452	33%	0.331	S	S	.	.	H	α-helix	trans	-98.3	-36.7	-177.2	-173.2	172.8	176.9	-165.7	0	113.5	D251 D252	D251-K254 HydrophobicContact CB-CB 4.19Å; D251-K254 PolarHBondContact O-N 3.06Å; D251-K254 VanDerWaalsContact O-N 3.13Å; D252-K254 PolarHBondContact O-N 2.74Å; D252-K254 VanDerWaalsContact O-N 3.12Å
255	Y	96.6	Very high	90.8	Very high	12 Å²	12	57 Å²	57	5%	0.047	31%	0.314	C	S	.	.	H	α-helix	trans	-116.7	-24.5	-167.4	-60.6	-68.4	0	0	0	114.3	Y197 L198 S201 F246 I250 D251 D252 G257	Y197-Y255 HydrophobicContact CD1-CD1 4.13Å; Y197-Y255 HydrophobicContact CE1-CD1 4.03Å; L198-Y255 HydrophobicContact CD1-CD1 4.5Å; L198-Y255 HydrophobicContact CG-CD1 4.08Å; L198-Y255 HydrophobicContact CG-CG 4.27Å; S201-Y255 VanDerWaalsContact CB-OH 3.23Å; S201-Y255 WeakPolarHBondContact CB-OH 3.48Å; S201-Y255 WeakPolarHBondContact OG-CE1 3.39Å; S201-Y255 PolarHBondContact OG-OH 2.99Å; F246-Y255 HydrophobicContact CD1-CE2 4.35Å; F246-Y255 HydrophobicContact CE1-CE1 4.4Å; F246-Y255 AromaticContact CE1-CE2 3.77Å; F246-Y255 HydrophobicContact CE1-CE2 3.77Å; F246-Y255 AromaticContact CE1-CZ 3.68Å; I250-Y255 HydrophobicContact CG2-CD2 3.86Å; I250-Y255 HydrophobicContact CG2-CG 4.23Å; D251-Y255 HydrophobicContact CB-CD2 4.28Å; D251-Y255 HydrophobicContact CB-CE2 4.4Å; D251-Y255 WeakPolarHBondContact O-CD2 3.36Å; D251-Y255 PolarHBondContact O-N 2.71Å; D252-Y255 PolarHBondContact O-N 2.91Å; Y255-G257 PolarHBondContact O-N 3.16Å
256	C	97.2	Very high	88.6	Confident	32 Å²	32	54.3 Å²	54.3	22%	0.216	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	134.2	-175.6	-175.1	0	0	0	0	111.3	I192 Y193 D252 H258	I192-C256 CarbonylContact O-C 3.59Å; I192-C256 WeakPolarHBondContact O-CA 3.16Å; Y193-C256 HydrophobicContact CE1-CB 4.13Å; D252-C256 HydrophobicContact CB-CB 4.21Å; D252-C256 WeakPolarHBondContact O-CB 3.38Å; D252-C256 PolarHBondContact O-N 3.32Å; C256-H258 VanDerWaalsContact C-N 3.28Å; C256-H258 PolarHBondContact O-N 3.49Å; C256-H258 PolarHBondContact O-ND1 3.43Å
257	G	95.9	Very high	86	Confident	16 Å²	16	57.4 Å²	57.4	17%	0.165	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	75	8.4	171.8	0	0	0	0	0	115.6	I192 Y255	I192-G257 PolarHBondContact O-N 3.44Å; Y255-G257 PolarHBondContact O-N 3.16Å
258	H	95.6	Very high	83.3	Confident	60 Å²	60	58.3 Å²	58.3	28%	0.278	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-94.7	117.1	176.9	-66.4	84.1	0	0	0	110.5	D194 Y197 C256	D194-H258 WeakPolarHBondContact CB-O 3.46Å; Y197-H258 HydrophobicContact CD1-CB 3.79Å; Y197-H258 HydrophobicContact CD2-CB 4.02Å; Y197-H258 HydrophobicContact CE1-CB 3.68Å; Y197-H258 AromaticContact CE1-CG 3.98Å; Y197-H258 HydrophobicContact CE2-CB 3.91Å; Y197-H258 HydrophobicContact CG-CB 3.96Å; Y197-H258 AromaticContact CZ-CD2 3.98Å; Y197-H258 AromaticContact CZ-CG 3.89Å; C256-H258 VanDerWaalsContact C-N 3.28Å; C256-H258 PolarHBondContact O-N 3.49Å; C256-H258 PolarHBondContact O-ND1 3.43Å
259	L	95.5	Very high	80.8	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-95	138.8	174.7	-52.9	-175.8	0	0	0	110	F162 F181 F182 L185 I192 G261 L262	F162-L259 HydrophobicContact CB-CD1 4.32Å; F162-L259 HydrophobicContact CD2-CD1 4.18Å; F162-L259 HydrophobicContact CD2-CD2 3.68Å; F162-L259 HydrophobicContact CE2-CD2 3.92Å; F181-L259 HydrophobicContact CE1-CD1 4.21Å; F182-L259 HydrophobicContact CE1-CD1 4.21Å; F182-L259 HydrophobicContact CE1-CG 4.09Å; F182-L259 HydrophobicContact CZ-CD1 4.3Å; F182-L259 HydrophobicContact CZ-CG 4.31Å; L185-L259 HydrophobicContact CD2-CD1 3.9Å; L185-L259 HydrophobicContact CD2-CG 4.45Å; I192-L259 HydrophobicContact CD1-CD2 4.47Å; I192-L259 HydrophobicContact CG2-CD2 3.86Å; L259-G261 PolarHBondContact O-N 2.95Å; L259-L262 HydrophobicContact CB-CB 4.37Å; L259-L262 HydrophobicContact CB-CD1 4.39Å; L259-L262 HydrophobicContact CD1-CD1 4.23Å; L259-L262 PolarHBondContact O-N 3.18Å
260	Y	93.4	Very high	77.9	Confident	38 Å²	38	59.1 Å²	59.1	15%	0.149	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	129.9	179.8	-175.9	-88.3	0	0	0	111.3	H157 D194 K196 L262	H157-Y260 AromaticContact CD2-CD1 3.66Å; H157-Y260 AromaticContact CE1-CD1 3.83Å; H157-Y260 AromaticContact CE1-CE1 3.84Å; H157-Y260 AromaticContact CG-CD1 4Å; H157-Y260 AromaticContact NE2-CD1 3.55Å; H157-Y260 AromaticContact NE2-CE1 3.92Å; D194-Y260 PolarHBondContact OD2-N 3.48Å; D194-Y260 VanDerWaalsContact OD2-N 3.12Å; K196-Y260 HydrophobicContact CB-CD2 4.16Å; K196-Y260 HydrophobicContact CB-CG 4.12Å; K196-Y260 HydrophobicContact CG-CD1 4.05Å; K196-Y260 HydrophobicContact CG-CD2 3.5Å; K196-Y260 HydrophobicContact CG-CE1 4.38Å; K196-Y260 HydrophobicContact CG-CE2 3.87Å; K196-Y260 HydrophobicContact CG-CG 3.6Å; Y260-L262 VanDerWaalsContact C-N 3.31Å; Y260-L262 PolarHBondContact O-N 3.37Å
261	G	89.4	Confident	74.9	Confident	3 Å²	3	66.8 Å²	66.8	3%	0.031	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	84	-3.8	178.4	0	0	0	0	0	115.4	L259	L259-G261 PolarHBondContact O-N 2.95Å
262	L	89.1	Confident	72.2	Confident	3 Å²	3	65.3 Å²	65.3	2%	0.016	38%	0.382	C	S	.	.			trans	-122.7	161.8	178.4	-60.4	176.5	0	0	0	112	Q61 L65 F182 L259 Y260 S266 A276	Q61-L262 HydrophobicContact CB-CD2 4.03Å; L65-L262 HydrophobicContact CD1-CD1 3.73Å; F182-L262 HydrophobicContact CE2-CB 4.17Å; F182-L262 HydrophobicContact CZ-CB 3.96Å; L259-L262 HydrophobicContact CB-CB 4.37Å; L259-L262 HydrophobicContact CB-CD1 4.39Å; L259-L262 HydrophobicContact CD1-CD1 4.23Å; L259-L262 PolarHBondContact O-N 3.18Å; Y260-L262 VanDerWaalsContact C-N 3.31Å; Y260-L262 PolarHBondContact O-N 3.37Å; L262-S266 PolarHBondContact N-OG 3.09Å; L262-S266 PolarHBondContact O-OG 2.9Å; L262-A276 HydrophobicContact CD2-CB 3.65Å; L262-A276 HydrophobicContact CG-CB 3.83Å
263	G	77.4	Confident	70	Confident	14 Å²	14	66.9 Å²	66.9	14%	0.144	40%	0.395	C	S	.	.	S	Bend	trans	68.3	175.4	173.1	0	0	0	0	0	115.8	E178 G265 S266	E178-G263 PolarHBondContact OE1-N 2.88Å; G263-G265 PolarHBondContact O-N 3.26Å; G263-G265 VanDerWaalsContact O-N 3.16Å; G263-S266 VanDerWaalsContact O-CB 3.29Å; G263-S266 WeakPolarHBondContact O-CB 3.38Å; G263-S266 PolarHBondContact O-N 2.94Å
264	S	60.1	Low	68.3	Low	121 Å²	121	63 Å²	63	85%	0.846	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-63.7	-22.6	-174.4	-45.8	0	0	0	0	114.4	S266 A267	S264-S266 PolarHBondContact O-N 3Å; S264-A267 PolarHBondContact O-N 3.46Å
265	G	54.5	Low	67.3	Low	13 Å²	13	59.9 Å²	59.9	13%	0.134	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-69.6	-9.6	174.6	0	0	0	0	0	114.4	G263 A267	G263-G265 PolarHBondContact O-N 3.26Å; G263-G265 VanDerWaalsContact O-N 3.16Å; G265-A267 VanDerWaalsContact C-N 3.34Å
266	S	52	Low	65.8	Low	22 Å²	22	59.3 Å²	59.3	15%	0.154	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-81.3	-7.3	177.9	-69.7	0	0	0	0	114	L262 G263 S264 Y268 V269	L262-S266 PolarHBondContact N-OG 3.09Å; L262-S266 PolarHBondContact O-OG 2.9Å; G263-S266 VanDerWaalsContact O-CB 3.29Å; G263-S266 WeakPolarHBondContact O-CB 3.38Å; G263-S266 PolarHBondContact O-N 2.94Å; S264-S266 PolarHBondContact O-N 3Å; S266-Y268 PolarHBondContact O-N 3.46Å; S266-V269 WeakPolarHBondContact O-CG2 3.43Å
267	A	41.5	Very low	65	Low	91 Å²	91	60.3 Å²	60.3	75%	0.752	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-67.3	-17.7	178.9	0	0	0	0	0	114.5	S264 G265 V269	S264-A267 PolarHBondContact O-N 3.46Å; G265-A267 VanDerWaalsContact C-N 3.34Å; A267-V269 PolarHBondContact O-N 3.5Å
268	Y	40	Very low	63.9	Low	201 Å²	201	62.8 Å²	62.8	79%	0.788	36%	0.357	S	S	*	.			trans	-94.9	62.9	176.9	-76.6	-87.3	0	0	0	111.8	K200 S266	K200-Y268 WeakPolarHBondContact CE-O 3.47Å; K200-Y268 PolarHBondContact NZ-O 3.37Å; S266-Y268 PolarHBondContact O-N 3.46Å
269	V	42.1	Very low	62.6	Low	62 Å²	62	66 Å²	66	38%	0.376	37%	0.372	S	S	.	.			trans	-106.6	100	168.6	-178.1	0	0	0	0	108.7	S266 A267 G272	S266-V269 WeakPolarHBondContact O-CG2 3.43Å; A267-V269 PolarHBondContact O-N 3.5Å; V269-G272 WeakPolarHBondContact CG1-O 3.06Å
270	Q	34.6	Very low	60.8	Low	187 Å²	187	71 Å²	71	87%	0.874	40%	0.396	S	S	*	.	S	Bend	trans	-84.1	113.5	159.1	-98.6	-176.3	-18.4	0	0	108.1	G272	Q270-G272 PolarHBondContact O-N 3.4Å
271	N	35.4	Very low	58.2	Low	173 Å²	173	72.8 Å²	72.8	93%	0.925	42%	0.418	S	S	*	.	S	Bend	trans	67.1	27.9	160	-63.1	-13.4	0	0	0	119.7
272	G	40.2	Very low	55.5	Low	47 Å²	47	80.5 Å²	80.5	49%	0.485	46%	0.459	S	S	.	.	S	Bend	trans	-133.2	155.9	166.6	0	0	0	0	0	112.2	V269 Q270 G274	V269-G272 WeakPolarHBondContact CG1-O 3.06Å; Q270-G272 PolarHBondContact O-N 3.4Å; G272-G274 PolarHBondContact O-N 2.99Å; G272-G274 VanDerWaalsContact O-N 3.09Å
273	T	49.6	Very low	52.9	Low	111 Å²	111	89.1 Å²	89.1	68%	0.681	50%	0.496	S	S	*	.			trans	-70.5	100.2	167.2	41.3	0	0	0	0	108.2	N275	T273-N275 PolarHBondContact O-N 3.23Å
274	G	58.4	Low	50.5	Low	13 Å²	13	97.6 Å²	97.6	13%	0.134	53%	0.532	C	S	.	.			trans	-76.9	56.9	177.4	0	0	0	0	0	112.4	G272	G272-G274 PolarHBondContact O-N 2.99Å; G272-G274 VanDerWaalsContact O-N 3.09Å
275	N	74.8	Confident	49	Very low	38 Å²	38	100.4 Å²	100.4	20%	0.203	54%	0.536	C	S	.	.			trans	-80.2	143	-179.7	-66.1	-11.2	0	0	0	110.4	H157 T273 Y277	H157-N275 PolarHBondContact CE1-O 3.09Å; H157-N275 PolarHBondContact NE2-O 3.35Å; T273-N275 PolarHBondContact O-N 3.23Å; N275-Y277 VanDerWaalsContact C-N 3.34Å
276	A	65.4	Low	47.8	Very low	0 Å²	0	109 Å²	109	0%	0	59%	0.594	C	S	.	*	S	Bend	trans	-79.6	-17.5	177.2	0	0	0	0	0	113.3	Q61 H157 L262	Q61-A276 HydrophobicContact CB-CB 3.97Å; H157-A276 PolarHBondContact CD2-O 2.88Å; H157-A276 PolarHBondContact NE2-O 3.23Å; L262-A276 HydrophobicContact CD2-CB 3.65Å; L262-A276 HydrophobicContact CG-CB 3.83Å
277	Y	79.4	Confident	47.6	Very low	52 Å²	52	113.3 Å²	113.3	20%	0.204	62%	0.616	C	S	.	*	S	Bend	trans	-86.5	133	171.6	-178.2	-116	0	0	0	110.2	F43 V46 H157 Y160 N275 E279	F43-Y277 HydrophobicContact CE2-CD2 4.42Å; F43-Y277 AromaticContact CE2-CE2 3.81Å; F43-Y277 HydrophobicContact CE2-CE2 3.81Å; F43-Y277 HydrophobicContact CZ-CD2 4.18Å; F43-Y277 AromaticContact CZ-CE2 3.79Å; F43-Y277 HydrophobicContact CZ-CE2 3.79Å; V46-Y277 HydrophobicContact CG2-CD1 4.28Å; V46-Y277 HydrophobicContact CG2-CD2 3.63Å; V46-Y277 HydrophobicContact CG2-CE1 4.3Å; V46-Y277 HydrophobicContact CG2-CE2 3.65Å; V46-Y277 HydrophobicContact CG2-CG 3.97Å; H157-Y277 PolarHBondContact CE1-O 3.15Å; H157-Y277 VanDerWaalsContact CE1-O 3.3Å; H157-Y277 PolarHBondContact NE2-O 2.83Å; Y160-Y277 HydrophobicContact CD1-CD2 4.45Å; Y160-Y277 HydrophobicContact CD2-CD2 4.11Å; Y160-Y277 HydrophobicContact CE1-CD2 4.22Å; Y160-Y277 AromaticContact CE2-CD2 3.89Å; Y160-Y277 HydrophobicContact CE2-CD2 3.89Å; Y160-Y277 HydrophobicContact CE2-CG 4.21Å; Y160-Y277 HydrophobicContact CG-CD2 4.39Å; Y160-Y277 AromaticContact CZ-CD2 3.92Å; N275-Y277 VanDerWaalsContact C-N 3.34Å; Y277-E279 HydrophobicContact CD1-CG 3.71Å; Y277-E279 HydrophobicContact CE1-CG 4.09Å; Y277-E279 PolarHBondContact O-N 3.35Å; Y277-E279 VanDerWaalsContact O-N 3.16Å
278	E	73.3	Confident	47.9	Very low	69 Å²	69	114.5 Å²	114.5	32%	0.322	61%	0.609	S	S	.	*			trans	-75.5	98.6	170	-172.3	160.4	-154.8	0	0	108.9	F156 H157	F156-E278 WeakPolarHBondContact CE1-OE1 3.14Å; H157-E278 HydrophobicContact CB-CB 4.36Å
279	E	69	Low	48.4	Very low	126 Å²	126	109.7 Å²	109.7	59%	0.589	60%	0.599	S	S	*	*			trans	-77.2	122.9	171.4	-73.5	179.4	175.1	0	0	109.5	Y277 A281	Y277-E279 HydrophobicContact CD1-CG 3.71Å; Y277-E279 HydrophobicContact CE1-CG 4.09Å; Y277-E279 PolarHBondContact O-N 3.35Å; Y277-E279 VanDerWaalsContact O-N 3.16Å; E279-A281 PolarHBondContact O-N 3.49Å; E279-A281 VanDerWaalsContact O-N 3.13Å
280	E	57.9	Low	48.7	Very low	107 Å²	107	112.5 Å²	112.5	50%	0.5	61%	0.612	S	S	.	*			trans	-54.2	116.5	157.3	-78.1	-91.3	124.4	0	0	108.3	L115 H225 N282	L115-E280 HydrophobicContact CD2-CG 3.85Å; H225-E280 IonicContact CE1-OE1 2.8Å; H225-E280 PolarHBondContact CE1-OE1 3.47Å; H225-E280 IonicContact ND1-OE1 2.65Å; H225-E280 IonicContact NE2-OE1 2.94Å; E280-N282 PolarHBondContact O-N 3.09Å
281	A	37.8	Very low	49.6	Very low	76 Å²	76	107.8 Å²	107.8	63%	0.628	60%	0.596	S	S	*	*			trans	-62.2	101.9	171.1	0	0	0	0	0	108.1	E279 K283	E279-A281 PolarHBondContact O-N 3.49Å; E279-A281 VanDerWaalsContact O-N 3.13Å; A281-K283 PolarHBondContact O-N 3.4Å
282	N	33.4	Very low	50.6	Low	164 Å²	164	103.5 Å²	103.5	88%	0.877	57%	0.574	S	S	*	*			trans	-50.6	84.5	169	-104.5	-28.5	0	0	0	110.8	E280	E280-N282 PolarHBondContact O-N 3.09Å
283	K	33.7	Very low	51.3	Low	184 Å²	184	107.5 Å²	107.5	80%	0.8	58%	0.581	S	S	*	*			trans	-148.7	52	176.1	-75	-166.7	-178.4	175.5	0	111.5	A281	A281-K283 PolarHBondContact O-N 3.4Å
284	Q	28	Very low	51.5	Low	193 Å²	193	107.2 Å²	107.2	90%	0.902	57%	0.573	S	S	*	*	S	Bend	trans	-126.3	19.7	161.4	-72.7	-162	4.9	0	0	114.2
285	L	28.6	Very low	50.9	Low	179 Å²	179	115.1 Å²	115.1	94%	0.937	61%	0.609	S	S	*	*			trans	-128.9	79.1	168.4	-72.7	168.1	0	0	0	111.2
286	S	29.1	Very low	48.7	Very low	193 Å²	193	122.1 Å²	122.1	100%	1.35	65%	0.646	S	S	*	*			trans	-154.3	0	149.4	68.4	0	0	0	0	110.5

Retrieved 286 of 286 residues in 118.1 ms (Link to these results)

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