A0A3Q0KFI1_SCHMA Loading...

Ferritin

Stores iron in a soluble, non-toxic, readily available form. Important for iron homeostasis. Has ferroxidase activity. Iron is taken up in the ferrous form and deposited as ferric hydroxides after oxidation. Stores iron in a soluble, non-toxic, readily available form. Important for iron homeostasis. Iron is taken up in the ferrous form and deposited as ferric hydroxides after oxidation.

AlphaFold DB , UniProt , Accession A0A3Q0KFI1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 172 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	61.7	Low	90.2	Very high	232 Å²	232	112.1 Å²	112.1	100%	1.143	56%	0.558	S	S	*	*				0	139.9	0	-65.2	-177.7	-160.5	0	0	109
2	S	72.8	Confident	90.9	Very high	106 Å²	106	110.6 Å²	110.6	74%	0.741	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-64.7	138.2	175.6	68.8	0	0	0	0	110.5	S4	S2-S4 PolarHBondContact O-N 3.4Å
3	K	83.4	Confident	91.5	Very high	187 Å²	187	107.9 Å²	107.9	81%	0.813	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-54.9	129.9	171.7	-171.5	175.7	179.4	-179.6	0	109.3	R5	K3-R5 PolarHBondContact O-N 3.31Å
4	S	94.6	Very high	92	Very high	23 Å²	23	100.2 Å²	100.2	16%	0.161	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-61.6	130	177.6	177.5	0	0	0	0	110.3	S2 A6 R7 G75	S2-S4 PolarHBondContact O-N 3.4Å; S4-A6 VanDerWaalsContact C-N 3.31Å; S4-R7 PolarHBondContact O-N 3.3Å; S4-G75 VanDerWaalsContact CB-O 3.25Å; S4-G75 WeakPolarHBondContact CB-O 3.29Å; S4-G75 VanDerWaalsContact OG-CA 3.29Å; S4-G75 WeakPolarHBondContact OG-CA 3.25Å; S4-G75 PolarHBondContact OG-O 3.49Å
5	R	96.3	Very high	92.4	Very high	256 Å²	256	93.9 Å²	93.9	97%	0.966	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-26.4	178.8	-63.4	-177.8	-176.1	175.9	1	112.9	K3 R7	K3-R5 PolarHBondContact O-N 3.31Å; R5-R7 VanDerWaalsContact C-N 3.34Å
6	A	96.4	Very high	92.8	Very high	60 Å²	60	91.8 Å²	91.8	50%	0.496	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-12.2	-180	0	0	0	0	0	113.4	S4 Q8	S4-A6 VanDerWaalsContact C-N 3.31Å; A6-Q8 PolarHBondContact O-N 3.33Å
7	R	97.4	Very high	93.2	Very high	77 Å²	77	86.9 Å²	86.9	29%	0.291	43%	0.431	S	S	.	.			trans	-75.8	112.3	-169.6	-168.4	173.5	-159.9	138.5	4.4	111.7	S4 R5 F10 E15 R74	S4-R7 PolarHBondContact O-N 3.3Å; R5-R7 VanDerWaalsContact C-N 3.34Å; R7-F10 HydrophobicContact CG-CB 4.18Å; R7-F10 PolarHBondContact NE-O 3.28Å; R7-F10 PolarHBondContact NH2-O 3.39Å; R7-F10 VanDerWaalsContact NH2-O 3.12Å; R7-E15 IonicContact CZ-OE2 3.15Å; R7-E15 IonicContact NH1-OE1 3.85Å; R7-E15 IonicContact NH1-OE2 2.78Å; R7-E15 PolarHBondContact NH1-OE2 3.33Å; R7-E15 IonicContact NH2-OE2 2.64Å; R7-E15 PolarHBondContact NH2-OE2 2.99Å; R7-R74 WeakPolarHBondContact CA-O 3.37Å
8	Q	96.4	Very high	93.5	Very high	159 Å²	159	82.1 Å²	82.1	74%	0.743	41%	0.407	S	S	*	.			trans	-142.7	134.4	177.2	-179.1	-178.1	-5.1	0	0	109.9	A6 F10 R74	A6-Q8 PolarHBondContact O-N 3.33Å; Q8-F10 PolarHBondContact O-N 3.41Å; Q8-F10 VanDerWaalsContact O-N 3.1Å; Q8-R74 PolarHBondContact O-NH2 3.1Å
9	N	97.2	Very high	93.8	Very high	93 Å²	93	78.4 Å²	78.4	50%	0.497	39%	0.389	S	S	.	.	S	Bend	trans	45.7	41.1	-178.2	-163.5	47	0	0	0	113.4	R74 N123	N9-R74 PolarHBondContact O-NH2 2.88Å; N9-N123 PolarHBondContact ND2-O 3.21Å
10	F	97.9	Very high	94	Very high	11 Å²	11	82 Å²	82	5%	0.048	40%	0.402	C	S	.	.			trans	-129	88.5	-173.5	-167.4	-123.8	0	0	0	110	R7 Q8 C14 E15 I18 R74 L127	R7-F10 HydrophobicContact CG-CB 4.18Å; R7-F10 PolarHBondContact NE-O 3.28Å; R7-F10 PolarHBondContact NH2-O 3.39Å; R7-F10 VanDerWaalsContact NH2-O 3.12Å; Q8-F10 PolarHBondContact O-N 3.41Å; Q8-F10 VanDerWaalsContact O-N 3.1Å; F10-C14 HydrophobicContact CD2-CB 4.23Å; F10-C14 HydrophobicContact CE2-CB 3.86Å; F10-E15 HydrophobicContact CD1-CB 4.5Å; F10-E15 HydrophobicContact CE1-CB 3.74Å; F10-E15 HydrophobicContact CE1-CG 4.17Å; F10-E15 HydrophobicContact CZ-CB 4.05Å; F10-I18 HydrophobicContact CE2-CD1 3.81Å; F10-I18 HydrophobicContact CZ-CD1 3.63Å; F10-R74 HydrophobicContact CD1-CB 3.8Å; F10-R74 HydrophobicContact CD2-CB 3.93Å; F10-R74 HydrophobicContact CD2-CG 4.34Å; F10-R74 HydrophobicContact CE1-CB 3.92Å; F10-R74 HydrophobicContact CE2-CB 4.06Å; F10-R74 HydrophobicContact CE2-CG 4.34Å; F10-R74 HydrophobicContact CG-CB 3.81Å; F10-R74 HydrophobicContact CZ-CB 4.05Å; F10-L127 HydrophobicContact CE2-CD2 4.38Å
11	A	98.2	Very high	94.3	Very high	29 Å²	29	78.1 Å²	78.1	24%	0.24	38%	0.383	C	S	.	.			trans	-61.2	152.1	-176.1	0	0	0	0	0	111.3	E13 C14 E15 N122	A11-E13 VanDerWaalsContact C-N 3.25Å; A11-E13 PolarHBondContact O-N 2.77Å; A11-C14 PolarHBondContact O-N 2.64Å; A11-E15 PolarHBondContact O-N 2.9Å; A11-E15 VanDerWaalsContact O-N 3.13Å; A11-N122 HydrophobicContact CB-CB 4.06Å; A11-N122 VanDerWaalsContact CB-OD1 3.23Å; A11-N122 WeakPolarHBondContact CB-OD1 3.39Å
12	K	98	Very high	96	Very high	94 Å²	94	67.2 Å²	67.2	41%	0.409	33%	0.33	S	S	.	.	H	α-helix	trans	-64	-35.6	176.8	-177.2	52.7	177.7	157	0	111.4	C14 E15 D16	K12-C14 VanDerWaalsContact C-N 3.34Å; K12-C14 PolarHBondContact O-N 3.12Å; K12-E15 HydrophobicContact CD-CB 4.4Å; K12-E15 VanDerWaalsContact CD-OE2 3.24Å; K12-E15 WeakPolarHBondContact CD-OE2 3.24Å; K12-E15 IonicContact NZ-OE1 3.62Å; K12-E15 IonicContact NZ-OE2 3.39Å; K12-E15 PolarHBondContact NZ-OE2 3.23Å; K12-E15 WeakPolarHBondContact O-CB 3.47Å; K12-E15 PolarHBondContact O-N 3.37Å; K12-D16 WeakPolarHBondContact CE-OD1 3.37Å; K12-D16 WeakPolarHBondContact CE-OD2 3.5Å; K12-D16 IonicContact NZ-OD1 2.84Å; K12-D16 PolarHBondContact NZ-OD1 3.35Å; K12-D16 IonicContact NZ-OD2 2.79Å; K12-D16 VanDerWaalsContact O-CG 3.27Å; K12-D16 PolarHBondContact O-N 3.12Å
13	E	98.7	Very high	97.3	Very high	76 Å²	76	63.5 Å²	63.5	36%	0.355	30%	0.301	S	S	.	.	H	α-helix	trans	-59.3	-42.7	175.6	-163.3	177.9	-155.7	0	0	111.9	A11 D16 A17 I118 K121 N122	A11-E13 VanDerWaalsContact C-N 3.25Å; A11-E13 PolarHBondContact O-N 2.77Å; E13-D16 PolarHBondContact O-N 3.14Å; E13-A17 VanDerWaalsContact O-CB 3.31Å; E13-A17 WeakPolarHBondContact O-CB 3.35Å; E13-A17 PolarHBondContact O-N 2.83Å; E13-I118 HydrophobicContact CB-CG2 4.26Å; E13-I118 HydrophobicContact CG-CG2 3.75Å; E13-K121 IonicContact OE1-NZ 2.88Å; E13-K121 PolarHBondContact OE1-NZ 3.04Å; E13-K121 IonicContact OE2-NZ 3.85Å; E13-K121 PolarHBondContact OE2-NZ 2.78Å; E13-N122 PolarHBondContact OE2-ND2 3.48Å
14	C	98.8	Very high	98	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.9	-44.4	174.6	-60.4	0	0	0	0	112.3	F10 A11 K12 D16 A17 I18 L127	F10-C14 HydrophobicContact CD2-CB 4.23Å; F10-C14 HydrophobicContact CE2-CB 3.86Å; A11-C14 PolarHBondContact O-N 2.64Å; K12-C14 VanDerWaalsContact C-N 3.34Å; K12-C14 PolarHBondContact O-N 3.12Å; C14-D16 VanDerWaalsContact C-N 3.33Å; C14-D16 PolarHBondContact O-N 3.04Å; C14-A17 PolarHBondContact O-N 3.35Å; C14-I18 WeakPolarHBondContact O-CG1 3.47Å; C14-I18 PolarHBondContact O-N 3.42Å; C14-L127 HydrophobicContact CB-CD2 3.68Å
15	E	98.7	Very high	98.2	Very high	6 Å²	6	56.2 Å²	56.2	3%	0.028	27%	0.268	C	S	.	.	H	α-helix	trans	-58	-45.8	175.8	-178.9	-173.6	-177.7	0	0	111.2	R7 F10 A11 K12 I18 N19 Q71 R77	R7-E15 IonicContact CZ-OE2 3.15Å; R7-E15 IonicContact NH1-OE1 3.85Å; R7-E15 IonicContact NH1-OE2 2.78Å; R7-E15 PolarHBondContact NH1-OE2 3.33Å; R7-E15 IonicContact NH2-OE2 2.64Å; R7-E15 PolarHBondContact NH2-OE2 2.99Å; F10-E15 HydrophobicContact CD1-CB 4.5Å; F10-E15 HydrophobicContact CE1-CB 3.74Å; F10-E15 HydrophobicContact CE1-CG 4.17Å; F10-E15 HydrophobicContact CZ-CB 4.05Å; A11-E15 PolarHBondContact O-N 2.9Å; A11-E15 VanDerWaalsContact O-N 3.13Å; K12-E15 HydrophobicContact CD-CB 4.4Å; K12-E15 VanDerWaalsContact CD-OE2 3.24Å; K12-E15 WeakPolarHBondContact CD-OE2 3.24Å; K12-E15 IonicContact NZ-OE1 3.62Å; K12-E15 IonicContact NZ-OE2 3.39Å; K12-E15 PolarHBondContact NZ-OE2 3.23Å; K12-E15 WeakPolarHBondContact O-CB 3.47Å; K12-E15 PolarHBondContact O-N 3.37Å; E15-I18 PolarHBondContact O-N 2.94Å; E15-N19 PolarHBondContact O-N 3.06Å; E15-N19 VanDerWaalsContact O-N 3.08Å; E15-N19 PolarHBondContact O-ND2 3.4Å; E15-Q71 PolarHBondContact O-NE2 3.28Å; E15-R77 PolarHBondContact OE1-N 2.94Å
16	D	98.7	Very high	98.3	Very high	59 Å²	59	45.9 Å²	45.9	32%	0.316	23%	0.232	S	C	.	.	H	α-helix	trans	-69.7	-35.8	-179.1	-66	-21.5	0	0	0	111.9	K12 E13 C14 N19 K20	K12-D16 WeakPolarHBondContact CE-OD1 3.37Å; K12-D16 WeakPolarHBondContact CE-OD2 3.5Å; K12-D16 IonicContact NZ-OD1 2.84Å; K12-D16 PolarHBondContact NZ-OD1 3.35Å; K12-D16 IonicContact NZ-OD2 2.79Å; K12-D16 VanDerWaalsContact O-CG 3.27Å; K12-D16 PolarHBondContact O-N 3.12Å; E13-D16 PolarHBondContact O-N 3.14Å; C14-D16 VanDerWaalsContact C-N 3.33Å; C14-D16 PolarHBondContact O-N 3.04Å; D16-N19 PolarHBondContact O-N 2.92Å; D16-K20 WeakPolarHBondContact O-CG 3.39Å; D16-K20 PolarHBondContact O-N 2.92Å; D16-K20 VanDerWaalsContact O-N 3.08Å
17	A	98.8	Very high	98.4	Very high	10 Å²	10	44.6 Å²	44.6	8%	0.083	22%	0.216	C	C	.	.	H	α-helix	trans	-66.9	-40.1	174.8	0	0	0	0	0	112.1	E13 C14 N19 K20 Q21 L115 I118	E13-A17 VanDerWaalsContact O-CB 3.31Å; E13-A17 WeakPolarHBondContact O-CB 3.35Å; E13-A17 PolarHBondContact O-N 2.83Å; C14-A17 PolarHBondContact O-N 3.35Å; A17-N19 VanDerWaalsContact C-N 3.34Å; A17-N19 PolarHBondContact O-N 2.87Å; A17-K20 WeakPolarHBondContact O-CB 3.43Å; A17-K20 PolarHBondContact O-N 3.44Å; A17-Q21 PolarHBondContact O-N 3.26Å; A17-L115 HydrophobicContact CB-CD1 3.39Å; A17-I118 HydrophobicContact CB-CD1 3.79Å; A17-I118 HydrophobicContact CB-CG2 4.36Å
18	I	98.9	Very high	98.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-41	172.7	-71.8	159.7	0	0	0	111	F10 C14 E15 K20 Q21 I22 L67 Y70 Q71 L115 L127	F10-I18 HydrophobicContact CE2-CD1 3.81Å; F10-I18 HydrophobicContact CZ-CD1 3.63Å; C14-I18 WeakPolarHBondContact O-CG1 3.47Å; C14-I18 PolarHBondContact O-N 3.42Å; E15-I18 PolarHBondContact O-N 2.94Å; I18-K20 VanDerWaalsContact C-N 3.28Å; I18-K20 PolarHBondContact O-N 2.89Å; I18-Q21 PolarHBondContact O-N 2.79Å; I18-Q21 VanDerWaalsContact O-N 3.15Å; I18-I22 HydrophobicContact CG2-CD1 3.82Å; I18-I22 HydrophobicContact CG2-CG1 4.23Å; I18-I22 VanDerWaalsContact O-CG1 3.3Å; I18-I22 WeakPolarHBondContact O-CG1 3.46Å; I18-I22 PolarHBondContact O-N 2.88Å; I18-L67 HydrophobicContact CG2-CB 4.41Å; I18-Y70 HydrophobicContact CD1-CD1 4.21Å; I18-Y70 HydrophobicContact CD1-CE1 4.34Å; I18-Q71 HydrophobicContact CG2-CB 3.95Å; I18-Q71 HydrophobicContact CG2-CG 4.35Å; I18-L115 HydrophobicContact CG1-CD1 3.98Å; I18-L115 HydrophobicContact CG1-CD2 4.17Å; I18-L127 HydrophobicContact CD1-CD1 3.86Å; I18-L127 HydrophobicContact CD1-CD2 4.07Å; I18-L127 HydrophobicContact CG1-CD1 4.34Å
19	N	98.9	Very high	98.6	Very high	11 Å²	11	34 Å²	34	6%	0.059	17%	0.172	C	C	.	.	H	α-helix	trans	-61	-37.9	175.9	-74.5	-28.1	0	0	0	112.3	E15 D16 A17 N23 Q71 R77 V78 Q79	E15-N19 PolarHBondContact O-N 3.06Å; E15-N19 VanDerWaalsContact O-N 3.08Å; E15-N19 PolarHBondContact O-ND2 3.4Å; D16-N19 PolarHBondContact O-N 2.92Å; A17-N19 VanDerWaalsContact C-N 3.34Å; A17-N19 PolarHBondContact O-N 2.87Å; N19-N23 PolarHBondContact O-N 3.07Å; N19-N23 VanDerWaalsContact O-N 3.16Å; N19-Q71 VanDerWaalsContact CG-NE2 3.33Å; N19-Q71 PolarHBondContact ND2-NE2 3.35Å; N19-Q71 PolarHBondContact OD1-NE2 3.25Å; N19-R77 PolarHBondContact ND2-O 3.11Å; N19-R77 PolarHBondContact OD1-O 3.47Å; N19-V78 VanDerWaalsContact OD1-CA 3.3Å; N19-V78 WeakPolarHBondContact OD1-CA 3.42Å; N19-Q79 PolarHBondContact OD1-N 3.2Å; N19-Q79 VanDerWaalsContact OD1-N 3.08Å
20	K	98.7	Very high	98.7	Very high	151 Å²	151	34 Å²	34	66%	0.657	17%	0.166	S	C	*	.	H	α-helix	trans	-64	-44.1	172.8	-69.8	175.2	-176.8	177.4	0	111.7	D16 A17 I18 N23 M24	D16-K20 WeakPolarHBondContact O-CG 3.39Å; D16-K20 PolarHBondContact O-N 2.92Å; D16-K20 VanDerWaalsContact O-N 3.08Å; A17-K20 WeakPolarHBondContact O-CB 3.43Å; A17-K20 PolarHBondContact O-N 3.44Å; I18-K20 VanDerWaalsContact C-N 3.28Å; I18-K20 PolarHBondContact O-N 2.89Å; K20-N23 PolarHBondContact O-N 3.22Å; K20-M24 PolarHBondContact O-N 3.3Å
21	Q	98.9	Very high	98.7	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-64.1	-44.3	178.4	-166.7	65.2	27.9	0	0	111.5	A17 I18 N23 M24 E25 L67 S111 L112 L115	A17-Q21 PolarHBondContact O-N 3.26Å; I18-Q21 PolarHBondContact O-N 2.79Å; I18-Q21 VanDerWaalsContact O-N 3.15Å; Q21-N23 PolarHBondContact O-N 3.45Å; Q21-M24 WeakPolarHBondContact O-CA 3.49Å; Q21-M24 WeakPolarHBondContact O-CB 3.03Å; Q21-M24 PolarHBondContact O-N 3.03Å; Q21-E25 PolarHBondContact NE2-OE1 3.42Å; Q21-E25 WeakPolarHBondContact O-CG 3.3Å; Q21-E25 PolarHBondContact O-N 2.96Å; Q21-L67 HydrophobicContact CB-CD1 3.92Å; Q21-L67 HydrophobicContact CG-CD1 3.48Å; Q21-L67 VanDerWaalsContact CG-CD1 3.48Å; Q21-L67 HydrophobicContact CG-CD2 4.46Å; Q21-S111 VanDerWaalsContact OE1-CB 3.24Å; Q21-S111 PolarHBondContact OE1-OG 3.43Å; Q21-L112 HydrophobicContact CG-CD2 3.84Å; Q21-L115 HydrophobicContact CB-CD2 4.12Å; Q21-L115 HydrophobicContact CG-CD2 4.36Å
22	I	98.9	Very high	98.7	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.015	16%	0.159	C	C	.	.	H	α-helix	trans	-52.6	-44.9	173.5	-69.4	165.4	0	0	0	110.7	I18 M24 E25 L26 L67 A68 V78 Y80	I18-I22 HydrophobicContact CG2-CD1 3.82Å; I18-I22 HydrophobicContact CG2-CG1 4.23Å; I18-I22 VanDerWaalsContact O-CG1 3.3Å; I18-I22 WeakPolarHBondContact O-CG1 3.46Å; I18-I22 PolarHBondContact O-N 2.88Å; I22-M24 VanDerWaalsContact C-N 3.3Å; I22-M24 PolarHBondContact O-N 2.79Å; I22-E25 PolarHBondContact O-N 3.08Å; I22-L26 HydrophobicContact CG2-CD1 4Å; I22-L26 VanDerWaalsContact O-CG 3.27Å; I22-L26 WeakPolarHBondContact O-CG 3.33Å; I22-L26 PolarHBondContact O-N 2.64Å; I22-L67 HydrophobicContact CD1-CB 4.19Å; I22-L67 HydrophobicContact CG1-CB 3.47Å; I22-L67 VanDerWaalsContact CG1-CB 3.47Å; I22-L67 HydrophobicContact CG1-CD1 4.2Å; I22-L67 HydrophobicContact CG1-CG 4.48Å; I22-A68 HydrophobicContact CD1-CB 4.06Å; I22-V78 HydrophobicContact CD1-CG1 4.14Å; I22-V78 HydrophobicContact CD1-CG2 4.32Å; I22-Y80 HydrophobicContact CG2-CE1 4.23Å
23	N	98.8	Very high	98.7	Very high	28 Å²	28	33 Å²	33	15%	0.15	16%	0.159	C	C	.	.	H	α-helix	trans	-67.6	-32.3	178.5	-161.8	86.6	0	0	0	112.8	N19 K20 Q21 Q27 S81	N19-N23 PolarHBondContact O-N 3.07Å; N19-N23 VanDerWaalsContact O-N 3.16Å; K20-N23 PolarHBondContact O-N 3.22Å; Q21-N23 PolarHBondContact O-N 3.45Å; N23-Q27 WeakPolarHBondContact O-CB 3.09Å; N23-Q27 PolarHBondContact O-N 3.13Å; N23-S81 VanDerWaalsContact OD1-C 3.32Å; N23-S81 WeakPolarHBondContact OD1-CA 3.4Å; N23-S81 WeakPolarHBondContact OD1-CB 3.23Å; N23-S81 PolarHBondContact OD1-N 3.49Å; N23-S81 PolarHBondContact OD1-O 3.45Å; N23-S81 VanDerWaalsContact OD1-O 3.08Å
24	M	98.6	Very high	98.7	Very high	55 Å²	55	29.9 Å²	29.9	27%	0.271	15%	0.147	S	C	.	.	H	α-helix	trans	-69.2	-43.9	177.1	-167.3	160.7	-168.5	0	0	111.4	K20 Q21 I22 L26 Q27 A28 A107 V108 S111	K20-M24 PolarHBondContact O-N 3.3Å; Q21-M24 WeakPolarHBondContact O-CA 3.49Å; Q21-M24 WeakPolarHBondContact O-CB 3.03Å; Q21-M24 PolarHBondContact O-N 3.03Å; I22-M24 VanDerWaalsContact C-N 3.3Å; I22-M24 PolarHBondContact O-N 2.79Å; M24-L26 PolarHBondContact O-N 3.43Å; M24-Q27 WeakPolarHBondContact O-CB 3.21Å; M24-Q27 PolarHBondContact O-N 2.9Å; M24-A28 PolarHBondContact O-N 3.03Å; M24-A107 VanDerWaalsContact CE-C 3.42Å; M24-A107 HydrophobicContact CE-CB 3.9Å; M24-A107 VanDerWaalsContact CE-O 3.3Å; M24-A107 WeakPolarHBondContact CE-O 3.5Å; M24-V108 HydrophobicContact CE-CG2 4.2Å; M24-V108 HydrophobicContact CG-CG2 4.29Å; M24-S111 WeakPolarHBondContact SD-CB 3.35Å
25	E	98.8	Very high	98.7	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-65.9	-38.3	175.7	-51.5	-48.2	177.4	0	0	111.8	Q21 I22 Q27 A28 A29 E60 H63 A64 L67 V108	Q21-E25 PolarHBondContact NE2-OE1 3.42Å; Q21-E25 WeakPolarHBondContact O-CG 3.3Å; Q21-E25 PolarHBondContact O-N 2.96Å; I22-E25 PolarHBondContact O-N 3.08Å; E25-Q27 VanDerWaalsContact C-N 3.31Å; E25-Q27 PolarHBondContact O-N 3.43Å; E25-A28 PolarHBondContact O-N 2.98Å; E25-A29 WeakPolarHBondContact O-CB 3.35Å; E25-A29 PolarHBondContact O-N 3.38Å; E25-E60 WeakPolarHBondContact CB-O 3.44Å; E25-H63 HydrophobicContact CB-CB 4.25Å; E25-H63 HydrophobicContact CG-CB 3.89Å; E25-A64 HydrophobicContact CB-CB 3.8Å; E25-L67 HydrophobicContact CG-CD1 3.68Å; E25-V108 WeakPolarHBondContact OE2-CG1 3.21Å
26	L	98.8	Very high	98.7	Very high	39 Å²	39	31.4 Å²	31.4	20%	0.204	15%	0.154	C	C	.	.	H	α-helix	trans	-65.1	-34.7	173.7	-70.6	172.1	0	0	0	112.7	I22 M24 Y30 A64 Y80 I83	I22-L26 HydrophobicContact CG2-CD1 4Å; I22-L26 VanDerWaalsContact O-CG 3.27Å; I22-L26 WeakPolarHBondContact O-CG 3.33Å; I22-L26 PolarHBondContact O-N 2.64Å; M24-L26 PolarHBondContact O-N 3.43Å; L26-Y30 PolarHBondContact O-N 2.9Å; L26-Y30 VanDerWaalsContact O-N 3.16Å; L26-A64 HydrophobicContact CD2-CB 3.73Å; L26-A64 HydrophobicContact CG-CB 3.74Å; L26-Y80 HydrophobicContact CD1-CD1 3.94Å; L26-Y80 HydrophobicContact CD1-CE1 4.03Å; L26-I83 HydrophobicContact CB-CD1 3.81Å; L26-I83 HydrophobicContact CB-CG1 4.44Å
27	Q	98.6	Very high	98.7	Very high	33 Å²	33	32.2 Å²	32.2	15%	0.154	16%	0.161	C	C	.	.	H	α-helix	trans	-67.8	-45.5	173	-177.1	67.3	63.3	0	0	110.7	N23 M24 E25 A29 Y30 D31 K84	N23-Q27 WeakPolarHBondContact O-CB 3.09Å; N23-Q27 PolarHBondContact O-N 3.13Å; M24-Q27 WeakPolarHBondContact O-CB 3.21Å; M24-Q27 PolarHBondContact O-N 2.9Å; E25-Q27 VanDerWaalsContact C-N 3.31Å; E25-Q27 PolarHBondContact O-N 3.43Å; Q27-A29 VanDerWaalsContact C-N 3.33Å; Q27-A29 PolarHBondContact O-N 2.97Å; Q27-Y30 PolarHBondContact O-N 3.49Å; Q27-Y30 VanDerWaalsContact O-N 3.09Å; Q27-D31 PolarHBondContact NE2-OD1 3.35Å; Q27-D31 VanDerWaalsContact O-CG 3.23Å; Q27-D31 PolarHBondContact O-N 3.43Å; Q27-K84 PolarHBondContact NE2-O 2.77Å; Q27-K84 PolarHBondContact OE1-O 2.93Å
28	A	98.7	Very high	98.7	Very high	6 Å²	6	33 Å²	33	5%	0.05	16%	0.161	C	C	.	.	H	α-helix	trans	-60.4	-43	177.2	0	0	0	0	0	111.6	M24 E25 Y30 D31 Y32 E60 V108	M24-A28 PolarHBondContact O-N 3.03Å; E25-A28 PolarHBondContact O-N 2.98Å; A28-Y30 VanDerWaalsContact C-N 3.29Å; A28-Y30 PolarHBondContact O-N 3.27Å; A28-D31 PolarHBondContact O-N 2.92Å; A28-Y32 PolarHBondContact O-N 3.3Å; A28-E60 HydrophobicContact CB-CB 4.22Å; A28-E60 HydrophobicContact CB-CG 3.87Å; A28-V108 HydrophobicContact CB-CG2 4.45Å
29	A	98.8	Very high	98.6	Very high	9 Å²	9	33 Å²	33	7%	0.074	16%	0.162	C	C	.	.	H	α-helix	trans	-56.5	-43.4	172.8	0	0	0	0	0	112	E25 Q27 M33 S57 E60 R61	E25-A29 WeakPolarHBondContact O-CB 3.35Å; E25-A29 PolarHBondContact O-N 3.38Å; Q27-A29 VanDerWaalsContact C-N 3.33Å; Q27-A29 PolarHBondContact O-N 2.97Å; A29-M33 PolarHBondContact O-N 3.26Å; A29-M33 VanDerWaalsContact O-N 3.08Å; A29-S57 WeakPolarHBondContact CB-O 3.39Å; A29-S57 WeakPolarHBondContact O-CB 3.32Å; A29-S57 PolarHBondContact O-OG 3.34Å; A29-E60 HydrophobicContact CB-CB 3.85Å; A29-R61 HydrophobicContact CB-CB 4.15Å
30	Y	98.6	Very high	98.6	Very high	92 Å²	92	37.6 Å²	37.6	36%	0.361	19%	0.186	S	C	.	.	H	α-helix	trans	-71.3	-37.5	179.4	-170.6	-145.4	0	0	0	112.6	L26 Q27 A28 M33 A34 I83 K84 P86	L26-Y30 PolarHBondContact O-N 2.9Å; L26-Y30 VanDerWaalsContact O-N 3.16Å; Q27-Y30 PolarHBondContact O-N 3.49Å; Q27-Y30 VanDerWaalsContact O-N 3.09Å; A28-Y30 VanDerWaalsContact C-N 3.29Å; A28-Y30 PolarHBondContact O-N 3.27Å; Y30-M33 HydrophobicContact CD2-CE 3.6Å; Y30-M33 HydrophobicContact CE2-CE 3.48Å; Y30-M33 VanDerWaalsContact CE2-CE 3.48Å; Y30-M33 WeakPolarHBondContact O-CB 3.39Å; Y30-M33 PolarHBondContact O-N 3.09Å; Y30-A34 PolarHBondContact O-N 2.85Å; Y30-I83 HydrophobicContact CD1-CG2 3.45Å; Y30-I83 VanDerWaalsContact CD1-CG2 3.45Å; Y30-I83 HydrophobicContact CE1-CG2 4.22Å; Y30-I83 HydrophobicContact CG-CG2 4.12Å; Y30-K84 WeakPolarHBondContact CD1-O 3.36Å; Y30-P86 HydrophobicContact CD1-CG 4.03Å; Y30-P86 HydrophobicContact CE1-CG 4.2Å; Y30-P86 HydrophobicContact CG-CG 4.29Å
31	D	98.7	Very high	98.6	Very high	26 Å²	26	34.5 Å²	34.5	14%	0.139	17%	0.17	C	C	.	.	H	α-helix	trans	-64.2	-48.1	175.1	-66.9	-20.4	0	0	0	110.2	Q27 A28 M33 A34 F35 P86 M104	Q27-D31 PolarHBondContact NE2-OD1 3.35Å; Q27-D31 VanDerWaalsContact O-CG 3.23Å; Q27-D31 PolarHBondContact O-N 3.43Å; A28-D31 PolarHBondContact O-N 2.92Å; D31-M33 VanDerWaalsContact C-N 3.26Å; D31-M33 PolarHBondContact O-N 3.19Å; D31-A34 WeakPolarHBondContact O-CA 3.48Å; D31-A34 VanDerWaalsContact O-CB 3.26Å; D31-A34 WeakPolarHBondContact O-CB 3.3Å; D31-A34 PolarHBondContact O-N 3.15Å; D31-F35 WeakPolarHBondContact O-CD2 3.28Å; D31-F35 PolarHBondContact O-N 3.43Å; D31-P86 VanDerWaalsContact OD1-CA 3.3Å; D31-P86 WeakPolarHBondContact OD1-CA 3.3Å; D31-P86 VanDerWaalsContact OD1-CB 3.3Å; D31-P86 WeakPolarHBondContact OD1-CB 3.43Å; D31-P86 WeakPolarHBondContact OD1-CG 3.43Å; D31-M104 HydrophobicContact CB-CE 3.48Å; D31-M104 VanDerWaalsContact CB-CE 3.48Å; D31-M104 HydrophobicContact CB-SD 4.32Å
32	Y	98.6	Very high	98.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-28	176.2	-78.1	-45.3	0	0	0	113.8	A28 A34 F35 F36 F53 A56 E60 A101 M104 E105	A28-Y32 PolarHBondContact O-N 3.3Å; Y32-A34 VanDerWaalsContact C-N 3.26Å; Y32-A34 PolarHBondContact O-N 3.38Å; Y32-F35 HydrophobicContact CD1-CD1 4.23Å; Y32-F35 HydrophobicContact CD1-CD2 4.47Å; Y32-F35 HydrophobicContact CD1-CE1 4.48Å; Y32-F35 HydrophobicContact CD1-CG 4.22Å; Y32-F35 HydrophobicContact CE1-CD1 4.46Å; Y32-F35 HydrophobicContact CE1-CE1 4.36Å; Y32-F35 WeakPolarHBondContact O-CB 3.45Å; Y32-F35 PolarHBondContact O-N 2.98Å; Y32-F36 PolarHBondContact O-N 3.33Å; Y32-F53 AromaticContact CD1-CD1 3.51Å; Y32-F53 HydrophobicContact CD1-CD1 3.51Å; Y32-F53 HydrophobicContact CD1-CE1 4.06Å; Y32-F53 HydrophobicContact CD1-CG 4.48Å; Y32-F53 AromaticContact CE1-CD1 3.71Å; Y32-F53 HydrophobicContact CE1-CD1 3.71Å; Y32-F53 AromaticContact CE1-CE1 3.8Å; Y32-F53 HydrophobicContact CE1-CE1 3.8Å; Y32-A56 HydrophobicContact CD1-CB 4.31Å; Y32-A56 HydrophobicContact CD2-CB 3.78Å; Y32-A56 HydrophobicContact CE2-CB 4.05Å; Y32-A56 HydrophobicContact CG-CB 3.93Å; Y32-E60 HydrophobicContact CD2-CG 3.79Å; Y32-E60 HydrophobicContact CE2-CG 3.96Å; Y32-A101 HydrophobicContact CE1-CB 3.91Å; Y32-M104 HydrophobicContact CD1-CE 4.26Å; Y32-M104 HydrophobicContact CD2-CE 4.37Å; Y32-M104 HydrophobicContact CE1-CE 4.07Å; Y32-M104 HydrophobicContact CE2-CE 4.2Å; Y32-M104 HydrophobicContact CG-CE 4.4Å; Y32-E105 WeakPolarHBondContact CE2-OE1 3.45Å; Y32-E105 PolarHBondContact OH-OE1 3.2Å
33	M	98.6	Very high	98.5	Very high	86 Å²	86	46.5 Å²	46.5	42%	0.424	24%	0.235	S	C	.	.	H	α-helix	trans	-62	-37.7	170.1	-167.9	177.8	76.5	0	0	111.1	A29 Y30 D31 F36 T37	A29-M33 PolarHBondContact O-N 3.26Å; A29-M33 VanDerWaalsContact O-N 3.08Å; Y30-M33 HydrophobicContact CD2-CE 3.6Å; Y30-M33 HydrophobicContact CE2-CE 3.48Å; Y30-M33 VanDerWaalsContact CE2-CE 3.48Å; Y30-M33 WeakPolarHBondContact O-CB 3.39Å; Y30-M33 PolarHBondContact O-N 3.09Å; D31-M33 VanDerWaalsContact C-N 3.26Å; D31-M33 PolarHBondContact O-N 3.19Å; M33-F36 PolarHBondContact O-N 3.1Å; M33-T37 WeakPolarHBondContact O-CG2 3.49Å; M33-T37 PolarHBondContact O-N 2.94Å; M33-T37 PolarHBondContact O-OG1 3.38Å
34	A	98.5	Very high	98.4	Very high	11 Å²	11	46.5 Å²	46.5	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-65	-40.6	174.2	0	0	0	0	0	112	Y30 D31 Y32 T37 Y38 P86 V89	Y30-A34 PolarHBondContact O-N 2.85Å; D31-A34 WeakPolarHBondContact O-CA 3.48Å; D31-A34 VanDerWaalsContact O-CB 3.26Å; D31-A34 WeakPolarHBondContact O-CB 3.3Å; D31-A34 PolarHBondContact O-N 3.15Å; Y32-A34 VanDerWaalsContact C-N 3.26Å; Y32-A34 PolarHBondContact O-N 3.38Å; A34-T37 PolarHBondContact O-N 3.45Å; A34-T37 PolarHBondContact O-OG1 3.1Å; A34-T37 VanDerWaalsContact O-OG1 3.04Å; A34-Y38 WeakPolarHBondContact O-CB 3.31Å; A34-Y38 PolarHBondContact O-N 3.24Å; A34-P86 HydrophobicContact CB-CB 3.99Å; A34-P86 HydrophobicContact CB-CG 3.98Å; A34-V89 HydrophobicContact CB-CG1 4.07Å
35	F	98.5	Very high	98.2	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.009	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-48.8	175.9	-73.7	-134.7	0	0	0	110.6	D31 Y32 T37 Y38 F39 F53 F91 A97 T100 A101 M104	D31-F35 WeakPolarHBondContact O-CD2 3.28Å; D31-F35 PolarHBondContact O-N 3.43Å; Y32-F35 HydrophobicContact CD1-CD1 4.23Å; Y32-F35 HydrophobicContact CD1-CD2 4.47Å; Y32-F35 HydrophobicContact CD1-CE1 4.48Å; Y32-F35 HydrophobicContact CD1-CG 4.22Å; Y32-F35 HydrophobicContact CE1-CD1 4.46Å; Y32-F35 HydrophobicContact CE1-CE1 4.36Å; Y32-F35 WeakPolarHBondContact O-CB 3.45Å; Y32-F35 PolarHBondContact O-N 2.98Å; F35-T37 PolarHBondContact O-N 3.22Å; F35-Y38 PolarHBondContact O-N 2.86Å; F35-F39 WeakPolarHBondContact O-CD2 3.46Å; F35-F39 PolarHBondContact O-N 2.94Å; F35-F39 VanDerWaalsContact O-N 3.11Å; F35-F53 HydrophobicContact CB-CB 3.76Å; F35-F53 HydrophobicContact CB-CD1 4.08Å; F35-F53 HydrophobicContact CB-CD2 3.96Å; F35-F53 HydrophobicContact CB-CG 3.67Å; F35-F53 AromaticContact CD1-CD1 3.83Å; F35-F53 HydrophobicContact CD1-CD1 3.83Å; F35-F53 HydrophobicContact CD1-CD2 4.22Å; F35-F53 AromaticContact CD1-CE1 3.66Å; F35-F53 HydrophobicContact CD1-CE1 3.66Å; F35-F53 HydrophobicContact CD1-CE2 4.08Å; F35-F53 HydrophobicContact CD1-CG 4.11Å; F35-F53 AromaticContact CD1-CZ 3.8Å; F35-F53 HydrophobicContact CD1-CZ 3.8Å; F35-F53 HydrophobicContact CE1-CE1 4.2Å; F35-F53 HydrophobicContact CE1-CZ 4.38Å; F35-F53 HydrophobicContact CG-CD1 4.32Å; F35-F53 HydrophobicContact CG-CG 4.35Å; F35-F91 HydrophobicContact CD1-CE1 4.14Å; F35-F91 HydrophobicContact CD1-CE2 4.3Å; F35-F91 AromaticContact CD1-CZ 3.65Å; F35-F91 HydrophobicContact CD1-CZ 3.65Å; F35-F91 HydrophobicContact CD2-CE1 4.49Å; F35-F91 HydrophobicContact CD2-CE2 4.1Å; F35-F91 AromaticContact CD2-CZ 3.49Å; F35-F91 HydrophobicContact CD2-CZ 3.49Å; F35-F91 VanDerWaalsContact CD2-CZ 3.49Å; F35-F91 AromaticContact CE1-CE1 3.76Å; F35-F91 HydrophobicContact CE1-CE1 3.76Å; F35-F91 AromaticContact CE1-CZ 3.63Å; F35-F91 HydrophobicContact CE1-CZ 3.63Å; F35-F91 HydrophobicContact CE2-CE1 4.19Å; F35-F91 AromaticContact CE2-CZ 3.51Å; F35-F91 HydrophobicContact CE2-CZ 3.51Å; F35-F91 HydrophobicContact CG-CE2 4.02Å; F35-F91 AromaticContact CG-CZ 3.6Å; F35-F91 HydrophobicContact CG-CZ 3.6Å; F35-F91 AromaticContact CZ-CE1 3.81Å; F35-F91 HydrophobicContact CZ-CE1 3.81Å; F35-F91 AromaticContact CZ-CZ 3.58Å; F35-F91 HydrophobicContact CZ-CZ 3.58Å; F35-A97 HydrophobicContact CD1-CB 4.46Å; F35-T100 HydrophobicContact CE1-CG2 4.39Å; F35-T100 HydrophobicContact CE2-CG2 4.38Å; F35-T100 HydrophobicContact CZ-CG2 3.57Å; F35-A101 HydrophobicContact CE1-CB 4.18Å; F35-M104 HydrophobicContact CE2-SD 3.93Å; F35-M104 HydrophobicContact CZ-SD 3.63Å
36	F	98.1	Very high	98.2	Very high	37 Å²	37	49.2 Å²	49.2	16%	0.162	26%	0.255	C	S	.	.	H	α-helix	trans	-52.3	-57.4	174.7	157.5	-134	0	0	0	110.9	Y32 M33 Y38 F39 D40 A50 F53 R54	Y32-F36 PolarHBondContact O-N 3.33Å; M33-F36 PolarHBondContact O-N 3.1Å; F36-Y38 PolarHBondContact O-N 3.21Å; F36-F39 PolarHBondContact O-N 3.42Å; F36-D40 HydrophobicContact CD2-CB 4.37Å; F36-D40 HydrophobicContact CE2-CB 3.95Å; F36-D40 PolarHBondContact O-N 3.33Å; F36-D40 VanDerWaalsContact O-N 3.09Å; F36-A50 HydrophobicContact CD2-CB 3.93Å; F36-A50 VanDerWaalsContact CD2-O 3.22Å; F36-A50 WeakPolarHBondContact CD2-O 3.27Å; F36-A50 HydrophobicContact CE2-CB 4.31Å; F36-F53 HydrophobicContact CB-CB 4.36Å; F36-R54 HydrophobicContact CB-CB 4.1Å; F36-R54 HydrophobicContact CD1-CB 4.05Å; F36-R54 HydrophobicContact CD1-CG 4.17Å; F36-R54 HydrophobicContact CD2-CB 3.95Å; F36-R54 HydrophobicContact CE1-CG 4.33Å; F36-R54 HydrophobicContact CE2-CB 4.48Å; F36-R54 HydrophobicContact CG-CB 3.74Å; F36-R54 HydrophobicContact CG-CG 4.36Å
37	T	98.5	Very high	98.1	Very high	75 Å²	75	50.1 Å²	50.1	46%	0.46	26%	0.264	S	S	.	.	H	α-helix	trans	-65.2	-27.4	-175.2	56.6	0	0	0	0	113.4	M33 A34 F35 R41	M33-T37 WeakPolarHBondContact O-CG2 3.49Å; M33-T37 PolarHBondContact O-N 2.94Å; M33-T37 PolarHBondContact O-OG1 3.38Å; A34-T37 PolarHBondContact O-N 3.45Å; A34-T37 PolarHBondContact O-OG1 3.1Å; A34-T37 VanDerWaalsContact O-OG1 3.04Å; F35-T37 PolarHBondContact O-N 3.22Å; T37-R41 WeakPolarHBondContact O-CG 3.29Å
38	Y	98.7	Very high	98.1	Very high	26 Å²	26	51 Å²	51	10%	0.102	27%	0.267	C	S	.	.	H	α-helix	trans	-66.4	-50.2	173	174	-101.1	0	0	0	111.6	A34 F35 F36 D40 R41 V44 V89 E90 F91	A34-Y38 WeakPolarHBondContact O-CB 3.31Å; A34-Y38 PolarHBondContact O-N 3.24Å; F35-Y38 PolarHBondContact O-N 2.86Å; F36-Y38 PolarHBondContact O-N 3.21Å; Y38-D40 VanDerWaalsContact C-N 3.26Å; Y38-D40 PolarHBondContact O-N 3.45Å; Y38-R41 WeakPolarHBondContact O-CB 3.39Å; Y38-R41 WeakPolarHBondContact O-CD 3.41Å; Y38-R41 WeakPolarHBondContact O-CG 3.36Å; Y38-R41 PolarHBondContact O-N 3.01Å; Y38-V44 HydrophobicContact CD1-CG1 4.17Å; Y38-V44 HydrophobicContact CD2-CG2 4.32Å; Y38-V44 HydrophobicContact CE1-CG1 3.66Å; Y38-V44 HydrophobicContact CE1-CG2 4.15Å; Y38-V44 HydrophobicContact CE2-CG2 3.66Å; Y38-V89 WeakPolarHBondContact CD2-O 3.48Å; Y38-E90 HydrophobicContact CE2-CB 4.45Å; Y38-E90 WeakPolarHBondContact CE2-OE2 3.37Å; Y38-F91 HydrophobicContact CD1-CB 4.28Å; Y38-F91 AromaticContact CD1-CD2 3.37Å; Y38-F91 HydrophobicContact CD1-CD2 3.37Å; Y38-F91 HydrophobicContact CD1-CE2 4.16Å; Y38-F91 HydrophobicContact CD1-CG 4.27Å; Y38-F91 HydrophobicContact CD2-CD2 4.5Å; Y38-F91 HydrophobicContact CE1-CB 3.7Å; Y38-F91 AromaticContact CE1-CD2 3.7Å; Y38-F91 HydrophobicContact CE1-CD2 3.7Å; Y38-F91 HydrophobicContact CE1-CG 4.18Å; Y38-F91 AromaticContact CG-CD2 3.8Å; Y38-F91 HydrophobicContact CG-CD2 3.8Å; Y38-F91 HydrophobicContact CG-CE2 4.31Å; Y38-F91 PolarHBondContact OH-O 3.18Å
39	F	98.3	Very high	98.1	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.009	27%	0.265	C	S	.	.	H	α-helix	trans	-71.8	-18.6	-177	-73.6	-58.9	0	0	0	114.3	F35 F36 R41 V44 F46 A49 A50 F53 L94 A97	F35-F39 WeakPolarHBondContact O-CD2 3.46Å; F35-F39 PolarHBondContact O-N 2.94Å; F35-F39 VanDerWaalsContact O-N 3.11Å; F36-F39 PolarHBondContact O-N 3.42Å; F39-R41 VanDerWaalsContact C-N 3.35Å; F39-V44 HydrophobicContact CD1-CG1 3.83Å; F39-V44 HydrophobicContact CE1-CG1 4.38Å; F39-F46 HydrophobicContact CB-CB 4.34Å; F39-F46 HydrophobicContact CD1-CB 3.8Å; F39-F46 AromaticContact CD1-CD2 3.79Å; F39-F46 HydrophobicContact CD1-CD2 3.79Å; F39-F46 HydrophobicContact CD1-CG 4.21Å; F39-F46 AromaticContact CE1-CD2 3.99Å; F39-F46 HydrophobicContact CE1-CD2 3.99Å; F39-F46 HydrophobicContact CG-CB 4.36Å; F39-F46 PolarHBondContact O-N 3.1Å; F39-A49 HydrophobicContact CB-CB 4.28Å; F39-A49 HydrophobicContact CD1-CB 4.29Å; F39-A49 HydrophobicContact CD2-CB 4.06Å; F39-A49 HydrophobicContact CE2-CB 4.5Å; F39-A49 HydrophobicContact CG-CB 3.95Å; F39-A50 HydrophobicContact CB-CB 3.91Å; F39-F53 AromaticContact CD2-CD2 3.72Å; F39-F53 HydrophobicContact CD2-CD2 3.72Å; F39-F53 AromaticContact CD2-CE2 3.98Å; F39-F53 HydrophobicContact CD2-CE2 3.98Å; F39-F53 AromaticContact CE2-CD2 3.79Å; F39-F53 HydrophobicContact CE2-CD2 3.79Å; F39-F53 AromaticContact CE2-CE2 3.57Å; F39-F53 HydrophobicContact CE2-CE2 3.57Å; F39-L94 HydrophobicContact CD1-CD2 4.31Å; F39-L94 HydrophobicContact CE1-CD2 3.58Å; F39-L94 HydrophobicContact CZ-CD2 3.71Å; F39-A97 HydrophobicContact CE2-CB 3.71Å; F39-A97 HydrophobicContact CZ-CB 3.46Å; F39-A97 VanDerWaalsContact CZ-CB 3.46Å
40	D	98.3	Very high	98.1	Very high	107 Å²	107	50.3 Å²	50.3	57%	0.572	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-9.9	176.3	-162.9	52.7	0	0	0	114	F36 Y38 A50	F36-D40 HydrophobicContact CD2-CB 4.37Å; F36-D40 HydrophobicContact CE2-CB 3.95Å; F36-D40 PolarHBondContact O-N 3.33Å; F36-D40 VanDerWaalsContact O-N 3.09Å; Y38-D40 VanDerWaalsContact C-N 3.26Å; Y38-D40 PolarHBondContact O-N 3.45Å; D40-A50 HydrophobicContact CB-CB 4.14Å
41	R	98.6	Very high	98	Very high	85 Å²	85	49 Å²	49	32%	0.321	26%	0.259	S	S	.	.	S	Bend	trans	-68	147.5	178.9	-65.7	164.4	54.3	166.3	-5.1	112.1	T37 Y38 F39 D43 V44 S45 E90	T37-R41 WeakPolarHBondContact O-CG 3.29Å; Y38-R41 WeakPolarHBondContact O-CB 3.39Å; Y38-R41 WeakPolarHBondContact O-CD 3.41Å; Y38-R41 WeakPolarHBondContact O-CG 3.36Å; Y38-R41 PolarHBondContact O-N 3.01Å; F39-R41 VanDerWaalsContact C-N 3.35Å; R41-D43 VanDerWaalsContact C-N 3.28Å; R41-D43 WeakPolarHBondContact CB-OD1 3.34Å; R41-D43 IonicContact CZ-OD1 3.4Å; R41-D43 IonicContact CZ-OD2 3.32Å; R41-D43 IonicContact NE-OD1 3Å; R41-D43 PolarHBondContact NE-OD1 3.08Å; R41-D43 IonicContact NE-OD2 3.93Å; R41-D43 IonicContact NH2-OD1 2.77Å; R41-D43 PolarHBondContact NH2-OD1 3.16Å; R41-D43 IonicContact NH2-OD2 2.86Å; R41-D43 PolarHBondContact NH2-OD2 3.48Å; R41-D43 PolarHBondContact O-N 2.96Å; R41-V44 HydrophobicContact CB-CB 4.39Å; R41-V44 HydrophobicContact CB-CG2 4.29Å; R41-V44 PolarHBondContact O-N 3.5Å; R41-S45 WeakPolarHBondContact O-CA 3.21Å; R41-S45 PolarHBondContact O-N 3.08Å; R41-E90 IonicContact CZ-OE1 2.64Å; R41-E90 IonicContact NH1-OE1 3.04Å; R41-E90 PolarHBondContact NH1-OE1 3.29Å; R41-E90 IonicContact NH1-OE2 3.89Å; R41-E90 PolarHBondContact NH1-OE2 3.22Å
42	D	97.9	Very high	98	Very high	155 Å²	155	49.1 Å²	49.1	83%	0.829	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-29	179.4	67.3	-78.5	0	0	0	113.5	V44	D42-V44 VanDerWaalsContact C-N 3.32Å
43	D	97.1	Very high	98	Very high	102 Å²	102	49.1 Å²	49.1	55%	0.545	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-6.8	179.1	67.2	-28.5	0	0	0	114.1	R41	R41-D43 VanDerWaalsContact C-N 3.28Å; R41-D43 WeakPolarHBondContact CB-OD1 3.34Å; R41-D43 IonicContact CZ-OD1 3.4Å; R41-D43 IonicContact CZ-OD2 3.32Å; R41-D43 IonicContact NE-OD1 3Å; R41-D43 PolarHBondContact NE-OD1 3.08Å; R41-D43 IonicContact NE-OD2 3.93Å; R41-D43 IonicContact NH2-OD1 2.77Å; R41-D43 PolarHBondContact NH2-OD1 3.16Å; R41-D43 IonicContact NH2-OD2 2.86Å; R41-D43 PolarHBondContact NH2-OD2 3.48Å; R41-D43 PolarHBondContact O-N 2.96Å
44	V	96.5	Very high	98	Very high	28 Å²	28	50 Å²	50	17%	0.17	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-55.8	177.1	178.2	0	0	0	0	110.4	Y38 F39 R41 D42 F46	Y38-V44 HydrophobicContact CD1-CG1 4.17Å; Y38-V44 HydrophobicContact CD2-CG2 4.32Å; Y38-V44 HydrophobicContact CE1-CG1 3.66Å; Y38-V44 HydrophobicContact CE1-CG2 4.15Å; Y38-V44 HydrophobicContact CE2-CG2 3.66Å; F39-V44 HydrophobicContact CD1-CG1 3.83Å; F39-V44 HydrophobicContact CE1-CG1 4.38Å; R41-V44 HydrophobicContact CB-CB 4.39Å; R41-V44 HydrophobicContact CB-CG2 4.29Å; R41-V44 PolarHBondContact O-N 3.5Å; D42-V44 VanDerWaalsContact C-N 3.32Å; V44-F46 HydrophobicContact CG1-CD2 3.89Å; V44-F46 HydrophobicContact CG1-CE2 4.41Å
45	S	95.9	Very high	98	Very high	76 Å²	76	53.5 Å²	53.5	53%	0.531	27%	0.27	S	S	.	.			trans	51.5	68.4	171.2	177.2	0	0	0	0	115.9	R41 P47	R41-S45 WeakPolarHBondContact O-CA 3.21Å; R41-S45 PolarHBondContact O-N 3.08Å; S45-P47 WeakPolarHBondContact O-CD 3.22Å
46	F	97.7	Very high	98	Very high	36 Å²	36	53.8 Å²	53.8	16%	0.158	27%	0.273	C	S	.	.			trans	-119.1	78.9	165.5	-71	-74.5	0	0	0	110.1	F39 V44 K48 A49 A50 L94 Q162 D166	F39-F46 HydrophobicContact CB-CB 4.34Å; F39-F46 HydrophobicContact CD1-CB 3.8Å; F39-F46 AromaticContact CD1-CD2 3.79Å; F39-F46 HydrophobicContact CD1-CD2 3.79Å; F39-F46 HydrophobicContact CD1-CG 4.21Å; F39-F46 AromaticContact CE1-CD2 3.99Å; F39-F46 HydrophobicContact CE1-CD2 3.99Å; F39-F46 HydrophobicContact CG-CB 4.36Å; F39-F46 PolarHBondContact O-N 3.1Å; V44-F46 HydrophobicContact CG1-CD2 3.89Å; V44-F46 HydrophobicContact CG1-CE2 4.41Å; F46-K48 VanDerWaalsContact C-N 3.29Å; F46-K48 PolarHBondContact O-N 3.35Å; F46-A49 HydrophobicContact CB-CB 3.81Å; F46-A49 WeakPolarHBondContact O-CB 3.27Å; F46-A49 PolarHBondContact O-N 2.94Å; F46-A49 VanDerWaalsContact O-N 3.16Å; F46-A50 PolarHBondContact O-N 3.04Å; F46-L94 HydrophobicContact CD1-CD1 4.05Å; F46-L94 HydrophobicContact CD1-CG 4.44Å; F46-L94 HydrophobicContact CD2-CD2 4.38Å; F46-L94 HydrophobicContact CE1-CD1 3.96Å; F46-L94 HydrophobicContact CE1-CG 4.34Å; F46-L94 HydrophobicContact CE2-CG 4.47Å; F46-L94 HydrophobicContact CG-CD2 4.25Å; F46-L94 HydrophobicContact CZ-CD1 4.41Å; F46-L94 HydrophobicContact CZ-CG 4.35Å; F46-Q162 HydrophobicContact CE1-CB 4.14Å; F46-Q162 HydrophobicContact CZ-CB 4.22Å; F46-D166 VanDerWaalsContact C-OD1 3.23Å; F46-D166 WeakPolarHBondContact CA-OD1 3.42Å; F46-D166 HydrophobicContact CD1-CB 3.74Å; F46-D166 HydrophobicContact CE1-CB 4.44Å
47	P	97.3	Very high	98	Very high	59 Å²	59	52.8 Å²	52.8	38%	0.383	27%	0.27	S	S	.	.	H	α-helix	trans	-67.3	-25.4	-167.1	26.7	-36.5	0	0	0	114	S45 E51	S45-P47 WeakPolarHBondContact O-CD 3.22Å; P47-E51 PolarHBondContact O-N 2.84Å; P47-E51 VanDerWaalsContact O-N 3.15Å
48	K	98.3	Very high	98	Very high	50 Å²	50	53.9 Å²	53.9	22%	0.217	27%	0.27	C	S	.	.	H	α-helix	trans	-79.2	-36.9	175.5	-62.8	-72.7	-165.8	173.1	0	110.6	F46 A50 E51 F52 D166 L170 E172	F46-K48 VanDerWaalsContact C-N 3.29Å; F46-K48 PolarHBondContact O-N 3.35Å; K48-A50 VanDerWaalsContact C-N 3.34Å; K48-E51 PolarHBondContact O-N 3.24Å; K48-F52 WeakPolarHBondContact O-CB 3.38Å; K48-F52 PolarHBondContact O-N 3.08Å; K48-D166 WeakPolarHBondContact CA-OD1 3.45Å; K48-D166 WeakPolarHBondContact CB-O 3.36Å; K48-D166 WeakPolarHBondContact CB-OD1 3.43Å; K48-D166 WeakPolarHBondContact CG-O 3.32Å; K48-D166 PolarHBondContact N-OD1 3.08Å; K48-L170 HydrophobicContact CB-CB 3.95Å; K48-E172 HydrophobicContact CD-CG 4.12Å; K48-E172 VanDerWaalsContact NZ-CG 3.34Å; K48-E172 IonicContact NZ-OE1 3.48Å; K48-E172 PolarHBondContact NZ-OE1 3.42Å
49	A	98.3	Very high	98	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.8	-42	169.2	0	0	0	0	0	112.2	F39 F46 F52 F53 L94 D166 L170	F39-A49 HydrophobicContact CB-CB 4.28Å; F39-A49 HydrophobicContact CD1-CB 4.29Å; F39-A49 HydrophobicContact CD2-CB 4.06Å; F39-A49 HydrophobicContact CE2-CB 4.5Å; F39-A49 HydrophobicContact CG-CB 3.95Å; F46-A49 HydrophobicContact CB-CB 3.81Å; F46-A49 WeakPolarHBondContact O-CB 3.27Å; F46-A49 PolarHBondContact O-N 2.94Å; F46-A49 VanDerWaalsContact O-N 3.16Å; A49-F52 PolarHBondContact O-N 2.66Å; A49-F53 WeakPolarHBondContact O-CD2 3.3Å; A49-F53 PolarHBondContact O-N 2.93Å; A49-L94 HydrophobicContact CB-CD2 3.95Å; A49-D166 PolarHBondContact N-OD1 2.85Å; A49-L170 HydrophobicContact CB-CD1 3.63Å
50	A	98.4	Very high	98	Very high	2 Å²	2	57.1 Å²	57.1	2%	0.017	29%	0.286	C	S	.	.	H	α-helix	trans	-56.3	-52.4	175	0	0	0	0	0	111.2	F36 F39 D40 F46 K48 F53 R54	F36-A50 HydrophobicContact CD2-CB 3.93Å; F36-A50 VanDerWaalsContact CD2-O 3.22Å; F36-A50 WeakPolarHBondContact CD2-O 3.27Å; F36-A50 HydrophobicContact CE2-CB 4.31Å; F39-A50 HydrophobicContact CB-CB 3.91Å; D40-A50 HydrophobicContact CB-CB 4.14Å; F46-A50 PolarHBondContact O-N 3.04Å; K48-A50 VanDerWaalsContact C-N 3.34Å; A50-F53 PolarHBondContact O-N 2.84Å; A50-R54 WeakPolarHBondContact O-CB 3.43Å; A50-R54 PolarHBondContact O-N 3.38Å
51	E	98.3	Very high	98.1	Very high	64 Å²	64	59 Å²	59	30%	0.299	29%	0.285	S	S	.	.	H	α-helix	trans	-66.1	-39	178.7	-175.2	59	-157.9	0	0	112.5	P47 K48 R54 K55	P47-E51 PolarHBondContact O-N 2.84Å; P47-E51 VanDerWaalsContact O-N 3.15Å; K48-E51 PolarHBondContact O-N 3.24Å; E51-R54 WeakPolarHBondContact O-CB 3.46Å; E51-R54 PolarHBondContact O-N 2.94Å; E51-R54 WeakPolarHBondContact OE2-CD 3.47Å; E51-K55 WeakPolarHBondContact O-CG 3.43Å; E51-K55 PolarHBondContact O-N 2.88Å; E51-K55 WeakPolarHBondContact OE1-CE 3.45Å; E51-K55 IonicContact OE1-NZ 3.07Å
52	F	98.5	Very high	98.1	Very high	29 Å²	29	61.3 Å²	61.3	13%	0.127	30%	0.3	C	S	.	.	H	α-helix	trans	-58	-51.3	175.8	176.4	-93.6	0	0	0	111.6	K48 A49 R54 K55 A56 F146 Y149 L170	K48-F52 WeakPolarHBondContact O-CB 3.38Å; K48-F52 PolarHBondContact O-N 3.08Å; A49-F52 PolarHBondContact O-N 2.66Å; F52-R54 VanDerWaalsContact C-N 3.32Å; F52-R54 PolarHBondContact O-N 3.3Å; F52-K55 PolarHBondContact O-N 3.48Å; F52-A56 PolarHBondContact O-N 3.39Å; F52-F146 AromaticContact CE1-CE1 3.72Å; F52-F146 HydrophobicContact CE1-CE1 3.72Å; F52-F146 AromaticContact CE1-CZ 3.76Å; F52-F146 HydrophobicContact CE1-CZ 3.76Å; F52-F146 HydrophobicContact CZ-CE1 4.11Å; F52-F146 AromaticContact CZ-CZ 3.98Å; F52-F146 HydrophobicContact CZ-CZ 3.98Å; F52-Y149 HydrophobicContact CE2-CE2 4.1Å; F52-Y149 AromaticContact CZ-CE2 3.88Å; F52-Y149 HydrophobicContact CZ-CE2 3.88Å; F52-L170 HydrophobicContact CD2-CD2 4.31Å; F52-L170 HydrophobicContact CG-CD2 4.24Å
53	F	98.3	Very high	98.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-72.8	-24.3	179.3	-71.6	-62.2	0	0	0	113.4	Y32 F35 F36 F39 A49 A50 K55 S57 A97 M98 A101 F146	Y32-F53 AromaticContact CD1-CD1 3.51Å; Y32-F53 HydrophobicContact CD1-CD1 3.51Å; Y32-F53 HydrophobicContact CD1-CE1 4.06Å; Y32-F53 HydrophobicContact CD1-CG 4.48Å; Y32-F53 AromaticContact CE1-CD1 3.71Å; Y32-F53 HydrophobicContact CE1-CD1 3.71Å; Y32-F53 AromaticContact CE1-CE1 3.8Å; Y32-F53 HydrophobicContact CE1-CE1 3.8Å; F35-F53 HydrophobicContact CB-CB 3.76Å; F35-F53 HydrophobicContact CB-CD1 4.08Å; F35-F53 HydrophobicContact CB-CD2 3.96Å; F35-F53 HydrophobicContact CB-CG 3.67Å; F35-F53 AromaticContact CD1-CD1 3.83Å; F35-F53 HydrophobicContact CD1-CD1 3.83Å; F35-F53 HydrophobicContact CD1-CD2 4.22Å; F35-F53 AromaticContact CD1-CE1 3.66Å; F35-F53 HydrophobicContact CD1-CE1 3.66Å; F35-F53 HydrophobicContact CD1-CE2 4.08Å; F35-F53 HydrophobicContact CD1-CG 4.11Å; F35-F53 AromaticContact CD1-CZ 3.8Å; F35-F53 HydrophobicContact CD1-CZ 3.8Å; F35-F53 HydrophobicContact CE1-CE1 4.2Å; F35-F53 HydrophobicContact CE1-CZ 4.38Å; F35-F53 HydrophobicContact CG-CD1 4.32Å; F35-F53 HydrophobicContact CG-CG 4.35Å; F36-F53 HydrophobicContact CB-CB 4.36Å; F39-F53 AromaticContact CD2-CD2 3.72Å; F39-F53 HydrophobicContact CD2-CD2 3.72Å; F39-F53 AromaticContact CD2-CE2 3.98Å; F39-F53 HydrophobicContact CD2-CE2 3.98Å; F39-F53 AromaticContact CE2-CD2 3.79Å; F39-F53 HydrophobicContact CE2-CD2 3.79Å; F39-F53 AromaticContact CE2-CE2 3.57Å; F39-F53 HydrophobicContact CE2-CE2 3.57Å; A49-F53 WeakPolarHBondContact O-CD2 3.3Å; A49-F53 PolarHBondContact O-N 2.93Å; A50-F53 PolarHBondContact O-N 2.84Å; F53-K55 VanDerWaalsContact C-N 3.34Å; F53-S57 WeakPolarHBondContact O-CB 3.44Å; F53-S57 PolarHBondContact O-N 3.21Å; F53-A97 HydrophobicContact CE2-CB 4.49Å; F53-M98 HydrophobicContact CE2-CE 3.98Å; F53-M98 HydrophobicContact CZ-CE 3.8Å; F53-M98 HydrophobicContact CZ-SD 4.08Å; F53-A101 HydrophobicContact CE1-CB 4.07Å; F53-F146 AromaticContact CE1-CE1 3.94Å; F53-F146 HydrophobicContact CE1-CE1 3.94Å; F53-F146 HydrophobicContact CE1-CZ 4.23Å; F53-F146 HydrophobicContact CZ-CE1 4.36Å
54	R	98.6	Very high	98.2	Very high	104 Å²	104	50 Å²	50	39%	0.392	24%	0.239	S	C	.	.	H	α-helix	trans	-63.5	-42.9	168.9	179.6	-172.3	161.5	130	-1	110.8	F36 A50 E51 F52 S57 H58	F36-R54 HydrophobicContact CB-CB 4.1Å; F36-R54 HydrophobicContact CD1-CB 4.05Å; F36-R54 HydrophobicContact CD1-CG 4.17Å; F36-R54 HydrophobicContact CD2-CB 3.95Å; F36-R54 HydrophobicContact CE1-CG 4.33Å; F36-R54 HydrophobicContact CE2-CB 4.48Å; F36-R54 HydrophobicContact CG-CB 3.74Å; F36-R54 HydrophobicContact CG-CG 4.36Å; A50-R54 WeakPolarHBondContact O-CB 3.43Å; A50-R54 PolarHBondContact O-N 3.38Å; E51-R54 WeakPolarHBondContact O-CB 3.46Å; E51-R54 PolarHBondContact O-N 2.94Å; E51-R54 WeakPolarHBondContact OE2-CD 3.47Å; F52-R54 VanDerWaalsContact C-N 3.32Å; F52-R54 PolarHBondContact O-N 3.3Å; R54-S57 WeakPolarHBondContact O-CB 3.49Å; R54-S57 PolarHBondContact O-N 2.99Å; R54-H58 PolarHBondContact O-CD2 2.94Å; R54-H58 PolarHBondContact O-N 3.01Å; R54-H58 VanDerWaalsContact O-N 3.16Å
55	K	98.3	Very high	98.3	Very high	85 Å²	85	52.6 Å²	52.6	37%	0.37	25%	0.249	S	C	.	.	H	α-helix	trans	-65.8	-44.9	176.1	-69.9	-179.1	-175.3	-165	0	111.4	E51 F52 F53 S57 H58 E59 E172	E51-K55 WeakPolarHBondContact O-CG 3.43Å; E51-K55 PolarHBondContact O-N 2.88Å; E51-K55 WeakPolarHBondContact OE1-CE 3.45Å; E51-K55 IonicContact OE1-NZ 3.07Å; F52-K55 PolarHBondContact O-N 3.48Å; F53-K55 VanDerWaalsContact C-N 3.34Å; K55-S57 VanDerWaalsContact C-N 3.3Å; K55-S57 PolarHBondContact O-N 3.5Å; K55-H58 WeakPolarHBondContact O-CA 3.34Å; K55-H58 WeakPolarHBondContact O-CB 3.33Å; K55-H58 PolarHBondContact O-N 3.5Å; K55-E59 WeakPolarHBondContact O-CB 3.46Å; K55-E59 PolarHBondContact O-N 2.94Å; K55-E172 WeakPolarHBondContact CD-OXT 3.44Å; K55-E172 WeakPolarHBondContact CE-OXT 3.41Å; K55-E172 PolarHBondContact NZ-OXT 3.32Å
56	A	98.2	Very high	98.5	Very high	8 Å²	8	51.3 Å²	51.3	7%	0.066	24%	0.237	C	C	.	.	H	α-helix	trans	-55.9	-44.7	173.4	0	0	0	0	0	111.7	Y32 F52 H58 E59 E60	Y32-A56 HydrophobicContact CD1-CB 4.31Å; Y32-A56 HydrophobicContact CD2-CB 3.78Å; Y32-A56 HydrophobicContact CE2-CB 4.05Å; Y32-A56 HydrophobicContact CG-CB 3.93Å; F52-A56 PolarHBondContact O-N 3.39Å; A56-H58 VanDerWaalsContact C-N 3.27Å; A56-H58 PolarHBondContact O-N 3.37Å; A56-E59 PolarHBondContact O-N 3.19Å; A56-E60 WeakPolarHBondContact O-CG 3.37Å; A56-E60 PolarHBondContact O-N 3.01Å
57	S	98.7	Very high	98.5	Very high	15 Å²	15	49.6 Å²	49.6	11%	0.105	23%	0.229	C	C	.	.	H	α-helix	trans	-57.4	-39.1	175	179.2	0	0	0	0	113.1	A29 F53 R54 K55 R61	A29-S57 WeakPolarHBondContact CB-O 3.39Å; A29-S57 WeakPolarHBondContact O-CB 3.32Å; A29-S57 PolarHBondContact O-OG 3.34Å; F53-S57 WeakPolarHBondContact O-CB 3.44Å; F53-S57 PolarHBondContact O-N 3.21Å; R54-S57 WeakPolarHBondContact O-CB 3.49Å; R54-S57 PolarHBondContact O-N 2.99Å; K55-S57 VanDerWaalsContact C-N 3.3Å; K55-S57 PolarHBondContact O-N 3.5Å; S57-R61 PolarHBondContact O-N 3.35Å
58	H	98.8	Very high	98.6	Very high	98 Å²	98	47.4 Å²	47.4	45%	0.454	22%	0.216	S	C	.	.	H	α-helix	trans	-72	-41.4	176.7	-68.1	-178	0	0	0	112.2	R54 K55 A56 R61 E62	R54-H58 PolarHBondContact O-CD2 2.94Å; R54-H58 PolarHBondContact O-N 3.01Å; R54-H58 VanDerWaalsContact O-N 3.16Å; K55-H58 WeakPolarHBondContact O-CA 3.34Å; K55-H58 WeakPolarHBondContact O-CB 3.33Å; K55-H58 PolarHBondContact O-N 3.5Å; A56-H58 VanDerWaalsContact C-N 3.27Å; A56-H58 PolarHBondContact O-N 3.37Å; H58-R61 WeakPolarHBondContact O-CB 3.38Å; H58-R61 PolarHBondContact O-N 2.88Å; H58-E62 WeakPolarHBondContact O-CG 3.44Å; H58-E62 PolarHBondContact O-N 3.48Å
59	E	98.5	Very high	98.6	Very high	90 Å²	90	51.6 Å²	51.6	42%	0.421	23%	0.234	S	C	.	.	H	α-helix	trans	-60	-46.9	178.2	-171.8	165.9	-162.4	0	0	111.2	K55 A56 R61 E62 H63	K55-E59 WeakPolarHBondContact O-CB 3.46Å; K55-E59 PolarHBondContact O-N 2.94Å; A56-E59 PolarHBondContact O-N 3.19Å; E59-R61 VanDerWaalsContact C-N 3.25Å; E59-R61 PolarHBondContact O-N 3.05Å; E59-E62 CarbonylContact O-C 3.59Å; E59-E62 WeakPolarHBondContact O-CA 3.48Å; E59-E62 WeakPolarHBondContact O-CB 3.4Å; E59-E62 PolarHBondContact O-N 3.5Å; E59-H63 PolarHBondContact O-N 3.23Å
60	E	98.7	Very high	98.6	Very high	7 Å²	7	52.3 Å²	52.3	3%	0.033	24%	0.237	C	C	.	.	H	α-helix	trans	-63.3	-32.8	175.5	-61.4	-49.4	159.6	0	0	113.2	E25 A28 A29 Y32 A56 E62 H63 A64	E25-E60 WeakPolarHBondContact CB-O 3.44Å; A28-E60 HydrophobicContact CB-CB 4.22Å; A28-E60 HydrophobicContact CB-CG 3.87Å; A29-E60 HydrophobicContact CB-CB 3.85Å; Y32-E60 HydrophobicContact CD2-CG 3.79Å; Y32-E60 HydrophobicContact CE2-CG 3.96Å; A56-E60 WeakPolarHBondContact O-CG 3.37Å; A56-E60 PolarHBondContact O-N 3.01Å; E60-E62 VanDerWaalsContact C-N 3.34Å; E60-H63 WeakPolarHBondContact O-CB 3.43Å; E60-H63 PolarHBondContact O-N 2.94Å; E60-H63 IonicContact OE2-CE1 3.81Å; E60-H63 IonicContact OE2-CG 3.95Å; E60-H63 IonicContact OE2-ND1 3.63Å; E60-H63 PolarHBondContact OE2-ND1 2.95Å; E60-A64 PolarHBondContact O-N 2.83Å
61	R	98.8	Very high	98.7	Very high	147 Å²	147	52.2 Å²	52.2	56%	0.555	24%	0.236	S	C	*	.	H	α-helix	trans	-67.8	-37.8	172.5	-179	175.5	168.3	166.2	-0.7	111.3	A29 S57 H58 E59 H63 A64 E65	A29-R61 HydrophobicContact CB-CB 4.15Å; S57-R61 PolarHBondContact O-N 3.35Å; H58-R61 WeakPolarHBondContact O-CB 3.38Å; H58-R61 PolarHBondContact O-N 2.88Å; E59-R61 VanDerWaalsContact C-N 3.25Å; E59-R61 PolarHBondContact O-N 3.05Å; R61-H63 VanDerWaalsContact C-N 3.35Å; R61-A64 WeakPolarHBondContact O-CB 3.48Å; R61-A64 PolarHBondContact O-N 3.36Å; R61-E65 IonicContact NE-OE1 2.69Å; R61-E65 PolarHBondContact NE-OE1 3Å; R61-E65 WeakPolarHBondContact O-CG 3.45Å; R61-E65 PolarHBondContact O-N 3.33Å
62	E	98.8	Very high	98.7	Very high	133 Å²	133	53.5 Å²	53.5	62%	0.621	25%	0.245	S	C	*	.	H	α-helix	trans	-64.8	-38.1	173.7	-69.6	-172.3	174.3	0	0	111.7	H58 E59 E60 E65 N66	H58-E62 WeakPolarHBondContact O-CG 3.44Å; H58-E62 PolarHBondContact O-N 3.48Å; E59-E62 CarbonylContact O-C 3.59Å; E59-E62 WeakPolarHBondContact O-CA 3.48Å; E59-E62 WeakPolarHBondContact O-CB 3.4Å; E59-E62 PolarHBondContact O-N 3.5Å; E60-E62 VanDerWaalsContact C-N 3.34Å; E62-E65 PolarHBondContact O-N 3.47Å; E62-N66 WeakPolarHBondContact O-CB 3.46Å; E62-N66 PolarHBondContact O-N 2.93Å
63	H	98.7	Very high	98.7	Very high	16 Å²	16	59.7 Å²	59.7	7%	0.074	27%	0.272	C	S	.	.	H	α-helix	trans	-57.2	-49.7	170.6	-63.4	159.8	0	0	0	111.6	E25 E59 E60 R61 E65 N66 L67 Y135 E138	E25-H63 HydrophobicContact CB-CB 4.25Å; E25-H63 HydrophobicContact CG-CB 3.89Å; E59-H63 PolarHBondContact O-N 3.23Å; E60-H63 WeakPolarHBondContact O-CB 3.43Å; E60-H63 PolarHBondContact O-N 2.94Å; E60-H63 IonicContact OE2-CE1 3.81Å; E60-H63 IonicContact OE2-CG 3.95Å; E60-H63 IonicContact OE2-ND1 3.63Å; E60-H63 PolarHBondContact OE2-ND1 2.95Å; R61-H63 VanDerWaalsContact C-N 3.35Å; H63-E65 VanDerWaalsContact C-N 3.31Å; H63-E65 PolarHBondContact O-N 2.93Å; H63-N66 PolarHBondContact O-N 3Å; H63-L67 WeakPolarHBondContact O-CG 3.5Å; H63-L67 PolarHBondContact O-N 2.99Å; H63-Y135 HydrophobicContact CB-CE1 4.07Å; H63-E138 IonicContact CE1-OE1 2.72Å; H63-E138 IonicContact NE2-OE1 3.06Å; H63-E138 PolarHBondContact NE2-OE1 3.37Å; H63-E138 IonicContact NE2-OE2 3.67Å
64	A	98.9	Very high	98.7	Very high	3 Å²	3	61 Å²	61	3%	0.025	28%	0.277	C	S	.	.	H	α-helix	trans	-57.3	-43.7	175.9	0	0	0	0	0	112.3	E25 L26 E60 R61 A68	E25-A64 HydrophobicContact CB-CB 3.8Å; L26-A64 HydrophobicContact CD2-CB 3.73Å; L26-A64 HydrophobicContact CG-CB 3.74Å; E60-A64 PolarHBondContact O-N 2.83Å; R61-A64 WeakPolarHBondContact O-CB 3.48Å; R61-A64 PolarHBondContact O-N 3.36Å; A64-A68 WeakPolarHBondContact O-CB 3.47Å; A64-A68 PolarHBondContact O-N 2.89Å
65	E	98.8	Very high	98.6	Very high	82 Å²	82	56.1 Å²	56.1	38%	0.383	26%	0.259	S	S	.	.	H	α-helix	trans	-66.8	-38.5	178.7	-73.3	-176.5	-162.9	0	0	112.3	R61 E62 H63 A68 K69	R61-E65 IonicContact NE-OE1 2.69Å; R61-E65 PolarHBondContact NE-OE1 3Å; R61-E65 WeakPolarHBondContact O-CG 3.45Å; R61-E65 PolarHBondContact O-N 3.33Å; E62-E65 PolarHBondContact O-N 3.47Å; H63-E65 VanDerWaalsContact C-N 3.31Å; H63-E65 PolarHBondContact O-N 2.93Å; E65-A68 PolarHBondContact O-N 3.37Å; E65-K69 WeakPolarHBondContact O-CB 3.31Å; E65-K69 WeakPolarHBondContact O-CG 3.41Å; E65-K69 PolarHBondContact O-N 3.36Å
66	N	98.8	Very high	98.6	Very high	50 Å²	50	52.1 Å²	52.1	27%	0.267	24%	0.241	S	C	.	.	H	α-helix	trans	-65.2	-46.5	176.7	-171.7	29.1	0	0	0	111.2	E62 H63 A68 K69 Y70 Y135	E62-N66 WeakPolarHBondContact O-CB 3.46Å; E62-N66 PolarHBondContact O-N 2.93Å; H63-N66 PolarHBondContact O-N 3Å; N66-A68 VanDerWaalsContact C-N 3.34Å; N66-A68 PolarHBondContact O-N 3.01Å; N66-K69 PolarHBondContact O-N 2.87Å; N66-Y70 WeakPolarHBondContact O-CB 3.35Å; N66-Y70 PolarHBondContact O-N 3.41Å; N66-Y135 WeakPolarHBondContact CB-OH 3.3Å; N66-Y135 PolarHBondContact ND2-OH 3.22Å
67	L	98.9	Very high	98.6	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-57.9	-44.5	172.4	-71	169	0	0	0	111.8	I18 Q21 I22 E25 H63 K69 Y70 Q71 F130 Y135	I18-L67 HydrophobicContact CG2-CB 4.41Å; Q21-L67 HydrophobicContact CB-CD1 3.92Å; Q21-L67 HydrophobicContact CG-CD1 3.48Å; Q21-L67 VanDerWaalsContact CG-CD1 3.48Å; Q21-L67 HydrophobicContact CG-CD2 4.46Å; I22-L67 HydrophobicContact CD1-CB 4.19Å; I22-L67 HydrophobicContact CG1-CB 3.47Å; I22-L67 VanDerWaalsContact CG1-CB 3.47Å; I22-L67 HydrophobicContact CG1-CD1 4.2Å; I22-L67 HydrophobicContact CG1-CG 4.48Å; E25-L67 HydrophobicContact CG-CD1 3.68Å; H63-L67 WeakPolarHBondContact O-CG 3.5Å; H63-L67 PolarHBondContact O-N 2.99Å; L67-K69 PolarHBondContact O-N 3.18Å; L67-Y70 PolarHBondContact O-N 3.46Å; L67-Q71 WeakPolarHBondContact O-CB 3.5Å; L67-Q71 PolarHBondContact O-N 3.17Å; L67-F130 HydrophobicContact CD2-CE1 4.05Å; L67-Y135 HydrophobicContact CD1-CE1 4.42Å; L67-Y135 HydrophobicContact CD2-CE1 4.23Å; L67-Y135 HydrophobicContact CD2-CE2 4.01Å; L67-Y135 HydrophobicContact CG-CE1 4.04Å; L67-Y135 WeakPolarHBondContact CG-OH 3.5Å; L67-Y135 PolarHBondContact N-OH 2.91Å
68	A	98.9	Very high	98.6	Very high	13 Å²	13	57.4 Å²	57.4	11%	0.107	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-40.6	178.3	0	0	0	0	0	112.5	I22 A64 E65 N66 N72 V78	I22-A68 HydrophobicContact CD1-CB 4.06Å; A64-A68 WeakPolarHBondContact O-CB 3.47Å; A64-A68 PolarHBondContact O-N 2.89Å; E65-A68 PolarHBondContact O-N 3.37Å; N66-A68 VanDerWaalsContact C-N 3.34Å; N66-A68 PolarHBondContact O-N 3.01Å; A68-N72 PolarHBondContact O-N 2.84Å; A68-N72 VanDerWaalsContact O-N 3.14Å; A68-N72 PolarHBondContact O-ND2 3.16Å; A68-V78 HydrophobicContact CB-CG2 3.91Å
69	K	98.8	Very high	98.6	Very high	138 Å²	138	57.8 Å²	57.8	60%	0.6	26%	0.263	S	S	*	.	H	α-helix	trans	-64	-43.9	173.5	-75.7	171.5	-175	162.5	0	111	E65 N66 L67 N72 K73	E65-K69 WeakPolarHBondContact O-CB 3.31Å; E65-K69 WeakPolarHBondContact O-CG 3.41Å; E65-K69 PolarHBondContact O-N 3.36Å; N66-K69 PolarHBondContact O-N 2.87Å; L67-K69 PolarHBondContact O-N 3.18Å; K69-N72 PolarHBondContact O-N 3.24Å; K69-K73 WeakPolarHBondContact O-CB 3.5Å; K69-K73 PolarHBondContact O-N 3.04Å
70	Y	98.8	Very high	98.5	Very high	15 Å²	15	61.2 Å²	61.2	6%	0.059	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-45.4	177.2	-174.9	-88.2	0	0	0	112.3	I18 N66 L67 N72 K73 R74 A126 L127 F130	I18-Y70 HydrophobicContact CD1-CD1 4.21Å; I18-Y70 HydrophobicContact CD1-CE1 4.34Å; N66-Y70 WeakPolarHBondContact O-CB 3.35Å; N66-Y70 PolarHBondContact O-N 3.41Å; L67-Y70 PolarHBondContact O-N 3.46Å; Y70-N72 VanDerWaalsContact C-N 3.31Å; Y70-N72 PolarHBondContact O-N 2.97Å; Y70-K73 WeakPolarHBondContact O-CB 3.45Å; Y70-K73 PolarHBondContact O-N 3.34Å; Y70-K73 VanDerWaalsContact O-N 3.12Å; Y70-R74 HydrophobicContact CD1-CG 3.91Å; Y70-R74 HydrophobicContact CE1-CG 3.37Å; Y70-R74 HydrophobicContact CE2-CG 4.34Å; Y70-R74 WeakPolarHBondContact O-CG 3.45Å; Y70-R74 PolarHBondContact O-N 3.08Å; Y70-R74 PolarHBondContact OH-NH1 3.45Å; Y70-A126 PolarHBondContact OH-O 3.06Å; Y70-L127 HydrophobicContact CD1-CD1 4.42Å; Y70-L127 HydrophobicContact CE1-CD1 3.71Å; Y70-L127 VanDerWaalsContact OH-CA 3.3Å; Y70-L127 WeakPolarHBondContact OH-CA 3.34Å; Y70-L127 PolarHBondContact OH-N 3.02Å; Y70-F130 VanDerWaalsContact CB-CZ 3.41Å; Y70-F130 AromaticContact CD1-CD1 3.84Å; Y70-F130 HydrophobicContact CD1-CD1 3.84Å; Y70-F130 AromaticContact CD1-CE1 3.8Å; Y70-F130 HydrophobicContact CD1-CE1 3.8Å; Y70-F130 HydrophobicContact CD1-CG 4.41Å; Y70-F130 HydrophobicContact CD1-CZ 4.37Å; Y70-F130 HydrophobicContact CD2-CB 4.2Å; Y70-F130 AromaticContact CD2-CD1 3.66Å; Y70-F130 HydrophobicContact CD2-CD1 3.66Å; Y70-F130 AromaticContact CD2-CD2 3.35Å; Y70-F130 HydrophobicContact CD2-CD2 3.35Å; Y70-F130 AromaticContact CD2-CE1 3.73Å; Y70-F130 HydrophobicContact CD2-CE1 3.73Å; Y70-F130 AromaticContact CD2-CE2 3.45Å; Y70-F130 HydrophobicContact CD2-CE2 3.45Å; Y70-F130 VanDerWaalsContact CD2-CE2 3.45Å; Y70-F130 AromaticContact CD2-CG 3.45Å; Y70-F130 HydrophobicContact CD2-CG 3.45Å; Y70-F130 VanDerWaalsContact CD2-CG 3.45Å; Y70-F130 AromaticContact CD2-CZ 3.64Å; Y70-F130 HydrophobicContact CD2-CZ 3.64Å; Y70-F130 AromaticContact CE1-CD1 3.98Å; Y70-F130 HydrophobicContact CE1-CD1 3.98Å; Y70-F130 HydrophobicContact CE1-CE1 4.41Å; Y70-F130 HydrophobicContact CE1-CG 4.35Å; Y70-F130 HydrophobicContact CE2-CB 3.54Å; Y70-F130 AromaticContact CE2-CD1 3.76Å; Y70-F130 HydrophobicContact CE2-CD1 3.76Å; Y70-F130 AromaticContact CE2-CD2 3.57Å; Y70-F130 HydrophobicContact CE2-CD2 3.57Å; Y70-F130 HydrophobicContact CE2-CE1 4.31Å; Y70-F130 HydrophobicContact CE2-CE2 4.16Å; Y70-F130 AromaticContact CE2-CG 3.32Å; Y70-F130 HydrophobicContact CE2-CG 3.32Å; Y70-F130 HydrophobicContact CE2-CZ 4.5Å; Y70-F130 AromaticContact CG-CD1 3.69Å; Y70-F130 HydrophobicContact CG-CD1 3.69Å; Y70-F130 HydrophobicContact CG-CD2 4.1Å; Y70-F130 AromaticContact CG-CE1 3.43Å; Y70-F130 HydrophobicContact CG-CE1 3.43Å; Y70-F130 VanDerWaalsContact CG-CE1 3.43Å; Y70-F130 AromaticContact CG-CE2 3.89Å; Y70-F130 HydrophobicContact CG-CE2 3.89Å; Y70-F130 AromaticContact CG-CG 4Å; Y70-F130 HydrophobicContact CG-CG 4Å; Y70-F130 AromaticContact CG-CZ 3.54Å; Y70-F130 HydrophobicContact CG-CZ 3.54Å; Y70-F130 AromaticContact CZ-CD1 3.91Å; Y70-F130 AromaticContact CZ-CG 3.81Å
71	Q	98.7	Very high	98.4	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-52.1	-49.6	174.4	-178.9	77.9	-48.4	0	0	111.3	E15 I18 N19 L67 R74 G75 G76 R77 V78	E15-Q71 PolarHBondContact O-NE2 3.28Å; I18-Q71 HydrophobicContact CG2-CB 3.95Å; I18-Q71 HydrophobicContact CG2-CG 4.35Å; N19-Q71 VanDerWaalsContact CG-NE2 3.33Å; N19-Q71 PolarHBondContact ND2-NE2 3.35Å; N19-Q71 PolarHBondContact OD1-NE2 3.25Å; L67-Q71 WeakPolarHBondContact O-CB 3.5Å; L67-Q71 PolarHBondContact O-N 3.17Å; Q71-R74 PolarHBondContact O-N 2.85Å; Q71-G75 PolarHBondContact O-N 2.74Å; Q71-G76 WeakPolarHBondContact O-CA 3.47Å; Q71-G76 PolarHBondContact O-N 3.16Å; Q71-R77 PolarHBondContact NE2-O 3.1Å; Q71-V78 HydrophobicContact CB-CG2 4.19Å; Q71-V78 HydrophobicContact CG-CG2 3.98Å
72	N	98.4	Very high	98.4	Very high	90 Å²	90	64.7 Å²	64.7	48%	0.481	31%	0.309	S	S	.	.	H	α-helix	trans	-66.1	-41.5	178.1	-74.7	-35.3	0	0	0	112	A68 K69 Y70 R74 G75	A68-N72 PolarHBondContact O-N 2.84Å; A68-N72 VanDerWaalsContact O-N 3.14Å; A68-N72 PolarHBondContact O-ND2 3.16Å; K69-N72 PolarHBondContact O-N 3.24Å; Y70-N72 VanDerWaalsContact C-N 3.31Å; Y70-N72 PolarHBondContact O-N 2.97Å; N72-R74 VanDerWaalsContact C-N 3.31Å; N72-R74 PolarHBondContact O-N 3.09Å; N72-G75 WeakPolarHBondContact O-CA 3.43Å; N72-G75 PolarHBondContact O-N 2.69Å
73	K	98.4	Very high	98.4	Very high	160 Å²	160	61.9 Å²	61.9	70%	0.696	30%	0.297	S	S	*	.	H	α-helix	trans	-56.7	-42.5	175.7	176.9	-175.2	175.3	-175.5	0	111.8	K69 Y70 G75	K69-K73 WeakPolarHBondContact O-CB 3.5Å; K69-K73 PolarHBondContact O-N 3.04Å; Y70-K73 WeakPolarHBondContact O-CB 3.45Å; Y70-K73 PolarHBondContact O-N 3.34Å; Y70-K73 VanDerWaalsContact O-N 3.12Å; K73-G75 PolarHBondContact O-N 3.09Å
74	R	98.1	Very high	98.3	Very high	28 Å²	28	69 Å²	69	11%	0.106	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-2.1	177.2	-62.9	-61.5	-58.6	-73.2	-5.1	113.9	R7 Q8 N9 F10 Y70 Q71 N72 D124	R7-R74 WeakPolarHBondContact CA-O 3.37Å; Q8-R74 PolarHBondContact O-NH2 3.1Å; N9-R74 PolarHBondContact O-NH2 2.88Å; F10-R74 HydrophobicContact CD1-CB 3.8Å; F10-R74 HydrophobicContact CD2-CB 3.93Å; F10-R74 HydrophobicContact CD2-CG 4.34Å; F10-R74 HydrophobicContact CE1-CB 3.92Å; F10-R74 HydrophobicContact CE2-CB 4.06Å; F10-R74 HydrophobicContact CE2-CG 4.34Å; F10-R74 HydrophobicContact CG-CB 3.81Å; F10-R74 HydrophobicContact CZ-CB 4.05Å; Y70-R74 HydrophobicContact CD1-CG 3.91Å; Y70-R74 HydrophobicContact CE1-CG 3.37Å; Y70-R74 HydrophobicContact CE2-CG 4.34Å; Y70-R74 WeakPolarHBondContact O-CG 3.45Å; Y70-R74 PolarHBondContact O-N 3.08Å; Y70-R74 PolarHBondContact OH-NH1 3.45Å; Q71-R74 PolarHBondContact O-N 2.85Å; N72-R74 VanDerWaalsContact C-N 3.31Å; N72-R74 PolarHBondContact O-N 3.09Å; R74-D124 IonicContact CZ-OD1 3.35Å; R74-D124 IonicContact CZ-OD2 3.72Å; R74-D124 VanDerWaalsContact CZ-OD2 3.29Å; R74-D124 IonicContact NH1-OD1 3.29Å; R74-D124 PolarHBondContact NH1-OD1 3.29Å; R74-D124 VanDerWaalsContact NH1-OD1 3.07Å; R74-D124 IonicContact NH1-OD2 3.73Å; R74-D124 PolarHBondContact NH1-OD2 3.04Å; R74-D124 VanDerWaalsContact NH2-CG 3.29Å; R74-D124 IonicContact NH2-OD1 3.64Å; R74-D124 PolarHBondContact NH2-OD1 3.43Å; R74-D124 IonicContact NH2-OD2 3.24Å; R74-D124 PolarHBondContact NH2-OD2 3.21Å
75	G	98.1	Very high	98.3	Very high	1 Å²	1	73.5 Å²	73.5	1%	0.01	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	15.3	178.8	0	0	0	0	0	114.7	S4 Q71 N72 K73 R77	S4-G75 VanDerWaalsContact CB-O 3.25Å; S4-G75 WeakPolarHBondContact CB-O 3.29Å; S4-G75 VanDerWaalsContact OG-CA 3.29Å; S4-G75 WeakPolarHBondContact OG-CA 3.25Å; S4-G75 PolarHBondContact OG-O 3.49Å; Q71-G75 PolarHBondContact O-N 2.74Å; N72-G75 WeakPolarHBondContact O-CA 3.43Å; N72-G75 PolarHBondContact O-N 2.69Å; K73-G75 PolarHBondContact O-N 3.09Å; G75-R77 PolarHBondContact O-NH1 2.87Å
76	G	98.2	Very high	98.1	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.346	C	S	.	.			trans	-76.5	-177.3	168.5	0	0	0	0	0	113	Q71	Q71-G76 WeakPolarHBondContact O-CA 3.47Å; Q71-G76 PolarHBondContact O-N 3.16Å
77	R	98.1	Very high	97.7	Very high	103 Å²	103	75.1 Å²	75.1	39%	0.389	38%	0.376	S	S	.	.			trans	-128.7	126.9	175.3	-63.2	-64	178.2	-92.8	3.5	109.3	E15 N19 Q71 G75 Q79	E15-R77 PolarHBondContact OE1-N 2.94Å; N19-R77 PolarHBondContact ND2-O 3.11Å; N19-R77 PolarHBondContact OD1-O 3.47Å; Q71-R77 PolarHBondContact NE2-O 3.1Å; G75-R77 PolarHBondContact O-NH1 2.87Å; R77-Q79 PolarHBondContact O-N 2.68Å
78	V	98.5	Very high	97.4	Very high	32 Å²	32	78.2 Å²	78.2	19%	0.194	39%	0.39	C	S	.	.			trans	-65.7	129.5	171.5	-176.7	0	0	0	0	108.7	N19 I22 A68 Q71 Y80	N19-V78 VanDerWaalsContact OD1-CA 3.3Å; N19-V78 WeakPolarHBondContact OD1-CA 3.42Å; I22-V78 HydrophobicContact CD1-CG1 4.14Å; I22-V78 HydrophobicContact CD1-CG2 4.32Å; A68-V78 HydrophobicContact CB-CG2 3.91Å; Q71-V78 HydrophobicContact CB-CG2 4.19Å; Q71-V78 HydrophobicContact CG-CG2 3.98Å; V78-Y80 HydrophobicContact CG1-CD1 4.28Å; V78-Y80 HydrophobicContact CG1-CD2 4.33Å; V78-Y80 HydrophobicContact CG1-CE1 3.76Å; V78-Y80 HydrophobicContact CG1-CE2 3.8Å; V78-Y80 VanDerWaalsContact CG1-CZ 3.49Å
79	Q	98.3	Very high	97.3	Very high	106 Å²	106	81.1 Å²	81.1	50%	0.495	41%	0.406	S	S	.	.			trans	-127.4	116	173.2	-60.4	-176	19.4	0	0	107.9	N19 R77	N19-Q79 PolarHBondContact OD1-N 3.2Å; N19-Q79 VanDerWaalsContact OD1-N 3.08Å; R77-Q79 PolarHBondContact O-N 2.68Å
80	Y	97	Very high	97.2	Very high	162 Å²	162	79.4 Å²	79.4	64%	0.635	40%	0.4	S	S	*	.			trans	-83	146.8	178.1	-60.2	-74.2	0	0	0	110.3	I22 L26 V78	I22-Y80 HydrophobicContact CG2-CE1 4.23Å; L26-Y80 HydrophobicContact CD1-CD1 3.94Å; L26-Y80 HydrophobicContact CD1-CE1 4.03Å; V78-Y80 HydrophobicContact CG1-CD1 4.28Å; V78-Y80 HydrophobicContact CG1-CD2 4.33Å; V78-Y80 HydrophobicContact CG1-CE1 3.76Å; V78-Y80 HydrophobicContact CG1-CE2 3.8Å; V78-Y80 VanDerWaalsContact CG1-CZ 3.49Å
81	S	97.2	Very high	97.1	Very high	78 Å²	78	79 Å²	79	55%	0.545	40%	0.399	S	S	.	.			trans	-119	175.8	171.3	-54.1	0	0	0	0	109.4	N23 I83	N23-S81 VanDerWaalsContact OD1-C 3.32Å; N23-S81 WeakPolarHBondContact OD1-CA 3.4Å; N23-S81 WeakPolarHBondContact OD1-CB 3.23Å; N23-S81 PolarHBondContact OD1-N 3.49Å; N23-S81 PolarHBondContact OD1-O 3.45Å; N23-S81 VanDerWaalsContact OD1-O 3.08Å; S81-I83 PolarHBondContact O-N 3.2Å
82	D	98.3	Very high	97	Very high	148 Å²	148	83.6 Å²	83.6	79%	0.791	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-64.5	136.8	178.4	-62.8	-23.1	0	0	0	110.9
83	I	98.1	Very high	96.9	Very high	75 Å²	75	80.9 Å²	80.9	39%	0.385	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-94.7	122.9	167.5	-58.7	175.4	0	0	0	106.7	L26 Y30 S81	L26-I83 HydrophobicContact CB-CD1 3.81Å; L26-I83 HydrophobicContact CB-CG1 4.44Å; Y30-I83 HydrophobicContact CD1-CG2 3.45Å; Y30-I83 VanDerWaalsContact CD1-CG2 3.45Å; Y30-I83 HydrophobicContact CE1-CG2 4.22Å; Y30-I83 HydrophobicContact CG-CG2 4.12Å; S81-I83 PolarHBondContact O-N 3.2Å
84	K	97.3	Very high	96.8	Very high	164 Å²	164	73.3 Å²	73.3	71%	0.713	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-81.9	155.2	179.9	-65.4	-177.4	-179	177.5	0	109.9	Q27 Y30	Q27-K84 PolarHBondContact NE2-O 2.77Å; Q27-K84 PolarHBondContact OE1-O 2.93Å; Y30-K84 WeakPolarHBondContact CD1-O 3.36Å
85	C	97.5	Very high	96.8	Very high	99 Å²	99	73 Å²	73	67%	0.669	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-58.1	140.6	170.3	-60.1	0	0	0	0	110.2	T87	C85-T87 PolarHBondContact O-N 2.89Å
86	P	96.6	Very high	96.8	Very high	20 Å²	20	74.5 Å²	74.5	13%	0.13	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-56.2	135	174.8	-26.4	36.2	0	0	0	110.7	Y30 D31 A34 V89	Y30-P86 HydrophobicContact CD1-CG 4.03Å; Y30-P86 HydrophobicContact CE1-CG 4.2Å; Y30-P86 HydrophobicContact CG-CG 4.29Å; D31-P86 VanDerWaalsContact OD1-CA 3.3Å; D31-P86 WeakPolarHBondContact OD1-CA 3.3Å; D31-P86 VanDerWaalsContact OD1-CB 3.3Å; D31-P86 WeakPolarHBondContact OD1-CB 3.43Å; D31-P86 WeakPolarHBondContact OD1-CG 3.43Å; A34-P86 HydrophobicContact CB-CB 3.99Å; A34-P86 HydrophobicContact CB-CG 3.98Å; P86-V89 HydrophobicContact CB-CG1 3.99Å
87	T	90	Very high	96.8	Very high	146 Å²	146	74.5 Å²	74.5	90%	0.896	39%	0.392	S	S	*	.	S	Bend	trans	-82.1	-23.7	-178.4	54.2	0	0	0	0	112.4	C85	C85-T87 PolarHBondContact O-N 2.89Å
88	K	92.7	Very high	96.8	Very high	64 Å²	64	69.6 Å²	69.6	28%	0.278	37%	0.374	S	S	.	.			trans	-119.1	106.6	179.1	-171.3	76	169.4	-179	0	109.2	E90 F91 D96 T100	K88-E90 WeakPolarHBondContact CE-O 3.43Å; K88-E90 PolarHBondContact NZ-O 2.85Å; K88-F91 HydrophobicContact CB-CE1 4.47Å; K88-F91 HydrophobicContact CB-CZ 4.45Å; K88-F91 HydrophobicContact CD-CD1 4.42Å; K88-F91 HydrophobicContact CD-CE1 4.24Å; K88-F91 HydrophobicContact CG-CD1 3.96Å; K88-F91 HydrophobicContact CG-CE1 3.33Å; K88-F91 HydrophobicContact CG-CE2 4.49Å; K88-F91 HydrophobicContact CG-CZ 3.64Å; K88-D96 WeakPolarHBondContact CE-OD1 3.43Å; K88-D96 WeakPolarHBondContact CE-OD2 3.41Å; K88-D96 IonicContact NZ-OD1 2.59Å; K88-D96 PolarHBondContact NZ-OD1 3.06Å; K88-D96 IonicContact NZ-OD2 2.69Å; K88-D96 PolarHBondContact NZ-OD2 3.37Å; K88-T100 HydrophobicContact CB-CG2 4.19Å; K88-T100 HydrophobicContact CG-CG2 4.06Å
89	V	95.2	Very high	96.8	Very high	74 Å²	74	71.1 Å²	71.1	45%	0.448	38%	0.381	S	S	.	.			trans	-122.7	-5.1	-178.7	-62.5	0	0	0	0	113.2	A34 Y38 P86	A34-V89 HydrophobicContact CB-CG1 4.07Å; Y38-V89 WeakPolarHBondContact CD2-O 3.48Å; P86-V89 HydrophobicContact CB-CG1 3.99Å
90	E	97.2	Very high	96.8	Very high	102 Å²	102	67.5 Å²	67.5	48%	0.477	37%	0.366	S	S	.	.			trans	-135.1	138	179.1	-64.3	-78.7	168	0	0	107.5	Y38 R41 K88	Y38-E90 HydrophobicContact CE2-CB 4.45Å; Y38-E90 WeakPolarHBondContact CE2-OE2 3.37Å; R41-E90 IonicContact CZ-OE1 2.64Å; R41-E90 IonicContact NH1-OE1 3.04Å; R41-E90 PolarHBondContact NH1-OE1 3.29Å; R41-E90 IonicContact NH1-OE2 3.89Å; R41-E90 PolarHBondContact NH1-OE2 3.22Å; K88-E90 WeakPolarHBondContact CE-O 3.43Å; K88-E90 PolarHBondContact NZ-O 2.85Å
91	F	97.5	Very high	96.9	Very high	7 Å²	7	59.8 Å²	59.8	3%	0.031	34%	0.336	C	S	.	.			trans	-127.9	139.4	-176.1	-58.7	-91.4	0	0	0	111.1	F35 Y38 K88 D93 D96 A97 T100	F35-F91 HydrophobicContact CD1-CE1 4.14Å; F35-F91 HydrophobicContact CD1-CE2 4.3Å; F35-F91 AromaticContact CD1-CZ 3.65Å; F35-F91 HydrophobicContact CD1-CZ 3.65Å; F35-F91 HydrophobicContact CD2-CE1 4.49Å; F35-F91 HydrophobicContact CD2-CE2 4.1Å; F35-F91 AromaticContact CD2-CZ 3.49Å; F35-F91 HydrophobicContact CD2-CZ 3.49Å; F35-F91 VanDerWaalsContact CD2-CZ 3.49Å; F35-F91 AromaticContact CE1-CE1 3.76Å; F35-F91 HydrophobicContact CE1-CE1 3.76Å; F35-F91 AromaticContact CE1-CZ 3.63Å; F35-F91 HydrophobicContact CE1-CZ 3.63Å; F35-F91 HydrophobicContact CE2-CE1 4.19Å; F35-F91 AromaticContact CE2-CZ 3.51Å; F35-F91 HydrophobicContact CE2-CZ 3.51Å; F35-F91 HydrophobicContact CG-CE2 4.02Å; F35-F91 AromaticContact CG-CZ 3.6Å; F35-F91 HydrophobicContact CG-CZ 3.6Å; F35-F91 AromaticContact CZ-CE1 3.81Å; F35-F91 HydrophobicContact CZ-CE1 3.81Å; F35-F91 AromaticContact CZ-CZ 3.58Å; F35-F91 HydrophobicContact CZ-CZ 3.58Å; Y38-F91 HydrophobicContact CD1-CB 4.28Å; Y38-F91 AromaticContact CD1-CD2 3.37Å; Y38-F91 HydrophobicContact CD1-CD2 3.37Å; Y38-F91 HydrophobicContact CD1-CE2 4.16Å; Y38-F91 HydrophobicContact CD1-CG 4.27Å; Y38-F91 HydrophobicContact CD2-CD2 4.5Å; Y38-F91 HydrophobicContact CE1-CB 3.7Å; Y38-F91 AromaticContact CE1-CD2 3.7Å; Y38-F91 HydrophobicContact CE1-CD2 3.7Å; Y38-F91 HydrophobicContact CE1-CG 4.18Å; Y38-F91 AromaticContact CG-CD2 3.8Å; Y38-F91 HydrophobicContact CG-CD2 3.8Å; Y38-F91 HydrophobicContact CG-CE2 4.31Å; Y38-F91 PolarHBondContact OH-O 3.18Å; K88-F91 HydrophobicContact CB-CE1 4.47Å; K88-F91 HydrophobicContact CB-CZ 4.45Å; K88-F91 HydrophobicContact CD-CD1 4.42Å; K88-F91 HydrophobicContact CD-CE1 4.24Å; K88-F91 HydrophobicContact CG-CD1 3.96Å; K88-F91 HydrophobicContact CG-CE1 3.33Å; K88-F91 HydrophobicContact CG-CE2 4.49Å; K88-F91 HydrophobicContact CG-CZ 3.64Å; F91-D93 VanDerWaalsContact C-N 3.29Å; F91-D93 PolarHBondContact O-N 3.23Å; F91-D96 VanDerWaalsContact CA-OD2 3.3Å; F91-D96 WeakPolarHBondContact CA-OD2 3.36Å; F91-A97 HydrophobicContact CB-CB 4.47Å; F91-A97 VanDerWaalsContact CD1-CA 3.45Å; F91-A97 HydrophobicContact CD1-CB 3.64Å; F91-A97 HydrophobicContact CE1-CB 3.99Å; F91-A97 HydrophobicContact CG-CB 4.01Å; F91-T100 HydrophobicContact CE1-CG2 4.37Å
92	S	95.3	Very high	97	Very high	96 Å²	96	56.9 Å²	56.9	67%	0.671	31%	0.314	S	S	*	.	S	Bend	trans	-66.6	-35.3	177.5	51.8	0	0	0	0	112.5	D96	S92-D96 PolarHBondContact N-OD2 2.86Å; S92-D96 VanDerWaalsContact OG-CB 3.31Å; S92-D96 WeakPolarHBondContact OG-CB 3.26Å; S92-D96 PolarHBondContact OG-OD2 3.11Å
93	D	96.2	Very high	97	Very high	34 Å²	34	53.6 Å²	53.6	18%	0.182	30%	0.303	C	S	.	.	S	Bend	trans	-168.7	-176.7	-177.6	56.2	30.3	0	0	0	110.8	F91 V95 D96 A97	F91-D93 VanDerWaalsContact C-N 3.29Å; F91-D93 PolarHBondContact O-N 3.23Å; D93-V95 VanDerWaalsContact C-N 3.25Å; D93-V95 PolarHBondContact O-N 3.02Å; D93-V95 WeakPolarHBondContact OD1-CA 3.42Å; D93-V95 WeakPolarHBondContact OD1-CB 3.42Å; D93-V95 PolarHBondContact OD1-N 3.19Å; D93-D96 PolarHBondContact O-N 3.09Å; D93-D96 PolarHBondContact OD1-N 3.29Å; D93-A97 PolarHBondContact O-N 3.27Å
94	L	97.7	Very high	97	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.4	-28.7	176.7	-69.6	177.9	0	0	0	112.8	F39 F46 A49 A97 M98 T153 Q162 F165	F39-L94 HydrophobicContact CD1-CD2 4.31Å; F39-L94 HydrophobicContact CE1-CD2 3.58Å; F39-L94 HydrophobicContact CZ-CD2 3.71Å; F46-L94 HydrophobicContact CD1-CD1 4.05Å; F46-L94 HydrophobicContact CD1-CG 4.44Å; F46-L94 HydrophobicContact CD2-CD2 4.38Å; F46-L94 HydrophobicContact CE1-CD1 3.96Å; F46-L94 HydrophobicContact CE1-CG 4.34Å; F46-L94 HydrophobicContact CE2-CG 4.47Å; F46-L94 HydrophobicContact CG-CD2 4.25Å; F46-L94 HydrophobicContact CZ-CD1 4.41Å; F46-L94 HydrophobicContact CZ-CG 4.35Å; A49-L94 HydrophobicContact CB-CD2 3.95Å; L94-A97 PolarHBondContact O-N 3.35Å; L94-M98 WeakPolarHBondContact O-CG 3.36Å; L94-M98 PolarHBondContact O-N 3.05Å; L94-T153 HydrophobicContact CB-CG2 3.95Å; L94-Q162 HydrophobicContact CB-CG 4.13Å; L94-Q162 HydrophobicContact CD1-CB 3.86Å; L94-Q162 HydrophobicContact CD1-CG 4Å; L94-Q162 HydrophobicContact CG-CB 4.47Å; L94-Q162 HydrophobicContact CG-CG 4.33Å; L94-F165 HydrophobicContact CD1-CD1 3.86Å
95	V	98.1	Very high	97.1	Very high	21 Å²	21	43.8 Å²	43.8	13%	0.127	26%	0.258	C	S	.	.	H	α-helix	trans	-65.7	-43.7	-180	-169.2	0	0	0	0	110.1	D93 M98 N99 D154	D93-V95 VanDerWaalsContact C-N 3.25Å; D93-V95 PolarHBondContact O-N 3.02Å; D93-V95 WeakPolarHBondContact OD1-CA 3.42Å; D93-V95 WeakPolarHBondContact OD1-CB 3.42Å; D93-V95 PolarHBondContact OD1-N 3.19Å; V95-M98 PolarHBondContact O-N 3.24Å; V95-N99 WeakPolarHBondContact CG1-ND2 3.13Å; V95-N99 WeakPolarHBondContact O-CB 3.47Å; V95-N99 PolarHBondContact O-N 2.66Å; V95-N99 PolarHBondContact O-ND2 3Å; V95-D154 HydrophobicContact CG1-CB 4.33Å
96	D	98.1	Very high	97.1	Very high	34 Å²	34	43.8 Å²	43.8	18%	0.182	25%	0.247	C	C	.	.	H	α-helix	trans	-61	-43.6	175.5	-179.6	26.4	0	0	0	111.9	K88 F91 S92 D93 N99 T100	K88-D96 WeakPolarHBondContact CE-OD1 3.43Å; K88-D96 WeakPolarHBondContact CE-OD2 3.41Å; K88-D96 IonicContact NZ-OD1 2.59Å; K88-D96 PolarHBondContact NZ-OD1 3.06Å; K88-D96 IonicContact NZ-OD2 2.69Å; K88-D96 PolarHBondContact NZ-OD2 3.37Å; F91-D96 VanDerWaalsContact CA-OD2 3.3Å; F91-D96 WeakPolarHBondContact CA-OD2 3.36Å; S92-D96 PolarHBondContact N-OD2 2.86Å; S92-D96 VanDerWaalsContact OG-CB 3.31Å; S92-D96 WeakPolarHBondContact OG-CB 3.26Å; S92-D96 PolarHBondContact OG-OD2 3.11Å; D93-D96 PolarHBondContact O-N 3.09Å; D93-D96 PolarHBondContact OD1-N 3.29Å; D96-N99 PolarHBondContact O-N 3.4Å; D96-T100 WeakPolarHBondContact O-CB 3.34Å; D96-T100 PolarHBondContact O-N 3Å; D96-T100 PolarHBondContact O-OG1 3.43Å
97	A	98.1	Very high	97.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.7	-45.4	176.5	0	0	0	0	0	112.8	F35 F39 F53 F91 D93 L94 N99 T100 A101	F35-A97 HydrophobicContact CD1-CB 4.46Å; F39-A97 HydrophobicContact CE2-CB 3.71Å; F39-A97 HydrophobicContact CZ-CB 3.46Å; F39-A97 VanDerWaalsContact CZ-CB 3.46Å; F53-A97 HydrophobicContact CE2-CB 4.49Å; F91-A97 HydrophobicContact CB-CB 4.47Å; F91-A97 VanDerWaalsContact CD1-CA 3.45Å; F91-A97 HydrophobicContact CD1-CB 3.64Å; F91-A97 HydrophobicContact CE1-CB 3.99Å; F91-A97 HydrophobicContact CG-CB 4.01Å; D93-A97 PolarHBondContact O-N 3.27Å; L94-A97 PolarHBondContact O-N 3.35Å; A97-N99 VanDerWaalsContact C-N 3.33Å; A97-N99 PolarHBondContact O-N 2.91Å; A97-T100 PolarHBondContact O-N 3.43Å; A97-A101 WeakPolarHBondContact O-CB 3.3Å; A97-A101 PolarHBondContact O-N 3.28Å
98	M	98.3	Very high	97.6	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.1	-35.8	178.8	-62.7	-59.1	157.9	0	0	112	F53 L94 V95 L102 F146 Y149 V150 T153 F165 L170	F53-M98 HydrophobicContact CE2-CE 3.98Å; F53-M98 HydrophobicContact CZ-CE 3.8Å; F53-M98 HydrophobicContact CZ-SD 4.08Å; L94-M98 WeakPolarHBondContact O-CG 3.36Å; L94-M98 PolarHBondContact O-N 3.05Å; V95-M98 PolarHBondContact O-N 3.24Å; M98-L102 VanDerWaalsContact O-CB 3.28Å; M98-L102 WeakPolarHBondContact O-CB 3.47Å; M98-L102 PolarHBondContact O-N 3.36Å; M98-F146 HydrophobicContact SD-CD1 3.91Å; M98-F146 HydrophobicContact SD-CE1 4.02Å; M98-Y149 HydrophobicContact SD-CD2 3.81Å; M98-Y149 HydrophobicContact SD-CG 4.22Å; M98-V150 VanDerWaalsContact C-CG2 3.49Å; M98-V150 HydrophobicContact CB-CG2 3.71Å; M98-T153 HydrophobicContact CG-CG2 4.23Å; M98-F165 HydrophobicContact CE-CE1 4.12Å; M98-L170 HydrophobicContact CE-CD1 4.25Å; M98-L170 HydrophobicContact CE-CD2 4.24Å
99	N	98.6	Very high	97.9	Very high	64 Å²	64	36.2 Å²	36.2	34%	0.342	21%	0.208	S	C	.	.	H	α-helix	trans	-67.4	-38.7	173.5	-83.9	-68.1	0	0	0	112.5	V95 D96 A97 S103 V150	V95-N99 WeakPolarHBondContact CG1-ND2 3.13Å; V95-N99 WeakPolarHBondContact O-CB 3.47Å; V95-N99 PolarHBondContact O-N 2.66Å; V95-N99 PolarHBondContact O-ND2 3Å; D96-N99 PolarHBondContact O-N 3.4Å; A97-N99 VanDerWaalsContact C-N 3.33Å; A97-N99 PolarHBondContact O-N 2.91Å; N99-S103 WeakPolarHBondContact O-CB 3.48Å; N99-S103 PolarHBondContact O-N 3.19Å; N99-S103 PolarHBondContact O-OG 3.28Å; N99-V150 HydrophobicContact CB-CG2 4.35Å; N99-V150 WeakPolarHBondContact OD1-CG1 3.5Å
100	T	98.6	Very high	98.1	Very high	30 Å²	30	36.9 Å²	36.9	18%	0.184	21%	0.21	C	C	.	.	H	α-helix	trans	-65	-48.7	176.8	-54.1	0	0	0	0	110	F35 K88 F91 D96 A97 L102 S103 M104	F35-T100 HydrophobicContact CE1-CG2 4.39Å; F35-T100 HydrophobicContact CE2-CG2 4.38Å; F35-T100 HydrophobicContact CZ-CG2 3.57Å; K88-T100 HydrophobicContact CB-CG2 4.19Å; K88-T100 HydrophobicContact CG-CG2 4.06Å; F91-T100 HydrophobicContact CE1-CG2 4.37Å; D96-T100 WeakPolarHBondContact O-CB 3.34Å; D96-T100 PolarHBondContact O-N 3Å; D96-T100 PolarHBondContact O-OG1 3.43Å; A97-T100 PolarHBondContact O-N 3.43Å; T100-L102 PolarHBondContact O-N 3.01Å; T100-S103 WeakPolarHBondContact O-CB 3.43Å; T100-S103 PolarHBondContact O-N 2.99Å; T100-S103 VanDerWaalsContact O-N 3.15Å; T100-M104 HydrophobicContact CG2-SD 4.24Å; T100-M104 WeakPolarHBondContact O-CG 3.4Å; T100-M104 PolarHBondContact O-N 2.85Å
101	A	98.5	Very high	98.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.2	-46.7	176.1	0	0	0	0	0	112	Y32 F35 F53 A97 S103 M104 E105 F146	Y32-A101 HydrophobicContact CE1-CB 3.91Å; F35-A101 HydrophobicContact CE1-CB 4.18Å; F53-A101 HydrophobicContact CE1-CB 4.07Å; A97-A101 WeakPolarHBondContact O-CB 3.3Å; A97-A101 PolarHBondContact O-N 3.28Å; A101-S103 PolarHBondContact O-N 3.42Å; A101-M104 WeakPolarHBondContact O-CA 3.3Å; A101-M104 WeakPolarHBondContact O-CB 3.42Å; A101-M104 PolarHBondContact O-N 2.93Å; A101-E105 PolarHBondContact O-N 2.94Å; A101-F146 HydrophobicContact CB-CD1 3.6Å; A101-F146 HydrophobicContact CB-CD2 4.47Å; A101-F146 HydrophobicContact CB-CE1 3.38Å; A101-F146 HydrophobicContact CB-CE2 4.28Å; A101-F146 HydrophobicContact CB-CG 4.16Å; A101-F146 HydrophobicContact CB-CZ 3.75Å
102	L	98.7	Very high	98.2	Very high	17 Å²	17	33 Å²	33	9%	0.089	19%	0.194	C	C	.	.	H	α-helix	trans	-56.3	-38.7	175.4	-179.6	58.7	0	0	0	112.8	M98 T100 K106 I143 F146 A147 V150	M98-L102 VanDerWaalsContact O-CB 3.28Å; M98-L102 WeakPolarHBondContact O-CB 3.47Å; M98-L102 PolarHBondContact O-N 3.36Å; T100-L102 PolarHBondContact O-N 3.01Å; L102-K106 HydrophobicContact CD1-CD 4.44Å; L102-K106 HydrophobicContact CG-CD 4.45Å; L102-K106 WeakPolarHBondContact O-CG 3.48Å; L102-K106 PolarHBondContact O-N 3.46Å; L102-I143 HydrophobicContact CD1-CG2 4.04Å; L102-I143 WeakPolarHBondContact CD1-O 3.5Å; L102-F146 HydrophobicContact CB-CB 3.92Å; L102-F146 HydrophobicContact CD1-CB 3.98Å; L102-A147 HydrophobicContact CD1-CB 4.23Å; L102-A147 HydrophobicContact CD2-CB 4.25Å; L102-V150 HydrophobicContact CD2-CG2 4.19Å
103	S	98.6	Very high	98.4	Very high	79 Å²	79	32.2 Å²	32.2	55%	0.552	18%	0.183	S	C	*	.	H	α-helix	trans	-70.8	-37.4	178.1	-58.5	0	0	0	0	111.8	N99 T100 A101 A107	N99-S103 WeakPolarHBondContact O-CB 3.48Å; N99-S103 PolarHBondContact O-N 3.19Å; N99-S103 PolarHBondContact O-OG 3.28Å; T100-S103 WeakPolarHBondContact O-CB 3.43Å; T100-S103 PolarHBondContact O-N 2.99Å; T100-S103 VanDerWaalsContact O-N 3.15Å; A101-S103 PolarHBondContact O-N 3.42Å; S103-A107 WeakPolarHBondContact O-CB 3.46Å; S103-A107 PolarHBondContact O-N 2.85Å; S103-A107 VanDerWaalsContact O-N 3.09Å
104	M	98.3	Very high	98.5	Very high	29 Å²	29	36.7 Å²	36.7	14%	0.143	20%	0.2	C	C	.	.	H	α-helix	trans	-62.5	-50.5	173.7	-69.4	167	55.5	0	0	110.9	D31 Y32 F35 T100 A101 K106 A107 V108	D31-M104 HydrophobicContact CB-CE 3.48Å; D31-M104 VanDerWaalsContact CB-CE 3.48Å; D31-M104 HydrophobicContact CB-SD 4.32Å; Y32-M104 HydrophobicContact CD1-CE 4.26Å; Y32-M104 HydrophobicContact CD2-CE 4.37Å; Y32-M104 HydrophobicContact CE1-CE 4.07Å; Y32-M104 HydrophobicContact CE2-CE 4.2Å; Y32-M104 HydrophobicContact CG-CE 4.4Å; F35-M104 HydrophobicContact CE2-SD 3.93Å; F35-M104 HydrophobicContact CZ-SD 3.63Å; T100-M104 HydrophobicContact CG2-SD 4.24Å; T100-M104 WeakPolarHBondContact O-CG 3.4Å; T100-M104 PolarHBondContact O-N 2.85Å; A101-M104 WeakPolarHBondContact O-CA 3.3Å; A101-M104 WeakPolarHBondContact O-CB 3.42Å; A101-M104 PolarHBondContact O-N 2.93Å; M104-K106 VanDerWaalsContact C-N 3.31Å; M104-K106 PolarHBondContact O-N 3.24Å; M104-A107 WeakPolarHBondContact O-CA 3.42Å; M104-A107 WeakPolarHBondContact O-CB 2.99Å; M104-A107 PolarHBondContact O-N 3.34Å; M104-V108 WeakPolarHBondContact O-CG2 3.4Å; M104-V108 PolarHBondContact O-N 3.31Å
105	E	98.6	Very high	98.6	Very high	3 Å²	3	36.9 Å²	36.9	1%	0.014	20%	0.201	C	C	.	.	H	α-helix	trans	-60.1	-40.7	-179.6	-68.3	-45.7	139.2	0	0	113	Y32 A101 A107 V108 N109 Q139 A142 I143 F146	Y32-E105 WeakPolarHBondContact CE2-OE1 3.45Å; Y32-E105 PolarHBondContact OH-OE1 3.2Å; A101-E105 PolarHBondContact O-N 2.94Å; E105-A107 VanDerWaalsContact C-N 3.33Å; E105-A107 PolarHBondContact O-N 3.22Å; E105-V108 PolarHBondContact O-N 2.86Å; E105-N109 WeakPolarHBondContact O-CB 3.22Å; E105-N109 PolarHBondContact O-N 2.87Å; E105-Q139 PolarHBondContact O-NE2 2.95Å; E105-Q139 PolarHBondContact OE2-NE2 3.22Å; E105-A142 HydrophobicContact CG-CB 4.27Å; E105-I143 HydrophobicContact CB-CG1 3.92Å; E105-F146 HydrophobicContact CG-CD2 3.65Å; E105-F146 HydrophobicContact CG-CE2 3.78Å
106	K	98.8	Very high	98.6	Very high	99 Å²	99	38 Å²	38	43%	0.43	21%	0.205	S	C	.	.	H	α-helix	trans	-63.4	-39.7	174.2	-75.2	177	177.1	176.6	0	112	L102 M104 N109 D110 I143	L102-K106 HydrophobicContact CD1-CD 4.44Å; L102-K106 HydrophobicContact CG-CD 4.45Å; L102-K106 WeakPolarHBondContact O-CG 3.48Å; L102-K106 PolarHBondContact O-N 3.46Å; M104-K106 VanDerWaalsContact C-N 3.31Å; M104-K106 PolarHBondContact O-N 3.24Å; K106-N109 PolarHBondContact O-N 3.26Å; K106-D110 WeakPolarHBondContact O-CB 3.32Å; K106-D110 PolarHBondContact O-N 3.44Å; K106-I143 HydrophobicContact CG-CD1 4.06Å; K106-I143 HydrophobicContact CG-CG1 4.12Å; K106-I143 HydrophobicContact CG-CG2 4.31Å
107	A	98.6	Very high	98.7	Very high	42 Å²	42	42.7 Å²	42.7	35%	0.347	23%	0.226	S	C	.	.	H	α-helix	trans	-67.4	-41	177.5	0	0	0	0	0	112.1	M24 S103 M104 E105 D110 S111	M24-A107 VanDerWaalsContact CE-C 3.42Å; M24-A107 HydrophobicContact CE-CB 3.9Å; M24-A107 VanDerWaalsContact CE-O 3.3Å; M24-A107 WeakPolarHBondContact CE-O 3.5Å; S103-A107 WeakPolarHBondContact O-CB 3.46Å; S103-A107 PolarHBondContact O-N 2.85Å; S103-A107 VanDerWaalsContact O-N 3.09Å; M104-A107 WeakPolarHBondContact O-CA 3.42Å; M104-A107 WeakPolarHBondContact O-CB 2.99Å; M104-A107 PolarHBondContact O-N 3.34Å; E105-A107 VanDerWaalsContact C-N 3.33Å; E105-A107 PolarHBondContact O-N 3.22Å; A107-D110 PolarHBondContact O-N 3.48Å; A107-S111 PolarHBondContact O-N 3.4Å; A107-S111 VanDerWaalsContact O-N 3.09Å
108	V	98.6	Very high	98.7	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.024	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-48.1	173.9	172.1	0	0	0	0	109.8	M24 E25 A28 M104 E105 D110 S111 L112	M24-V108 HydrophobicContact CE-CG2 4.2Å; M24-V108 HydrophobicContact CG-CG2 4.29Å; E25-V108 WeakPolarHBondContact OE2-CG1 3.21Å; A28-V108 HydrophobicContact CB-CG2 4.45Å; M104-V108 WeakPolarHBondContact O-CG2 3.4Å; M104-V108 PolarHBondContact O-N 3.31Å; E105-V108 PolarHBondContact O-N 2.86Å; V108-D110 PolarHBondContact O-N 2.55Å; V108-S111 WeakPolarHBondContact O-CB 3.45Å; V108-S111 PolarHBondContact O-N 3.43Å; V108-S111 VanDerWaalsContact O-N 3.1Å; V108-L112 HydrophobicContact CG1-CD1 4.09Å; V108-L112 PolarHBondContact O-N 3Å
109	N	98.7	Very high	98.7	Very high	25 Å²	25	44.6 Å²	44.6	13%	0.134	24%	0.236	C	C	.	.	H	α-helix	trans	-62	-43.2	177.8	-169.7	49.5	0	0	0	112.6	E105 K106 S111 L112 L113 Q139 I143	E105-N109 WeakPolarHBondContact O-CB 3.22Å; E105-N109 PolarHBondContact O-N 2.87Å; K106-N109 PolarHBondContact O-N 3.26Å; N109-S111 PolarHBondContact O-N 2.89Å; N109-L112 WeakPolarHBondContact O-CB 3.46Å; N109-L112 PolarHBondContact O-N 3.09Å; N109-L112 VanDerWaalsContact O-N 3.11Å; N109-L113 WeakPolarHBondContact O-CG 3.2Å; N109-L113 PolarHBondContact O-N 3.3Å; N109-Q139 HydrophobicContact CB-CB 3.97Å; N109-Q139 HydrophobicContact CB-CG 4.1Å; N109-Q139 WeakPolarHBondContact OD1-CB 3.28Å; N109-I143 HydrophobicContact CB-CD1 3.87Å
110	D	98.8	Very high	98.7	Very high	88 Å²	88	44 Å²	44	47%	0.471	24%	0.239	S	C	.	.	H	α-helix	trans	-59.8	-33.2	175	-80.5	-12.7	0	0	0	112.3	K106 A107 V108 K114	K106-D110 WeakPolarHBondContact O-CB 3.32Å; K106-D110 PolarHBondContact O-N 3.44Å; A107-D110 PolarHBondContact O-N 3.48Å; V108-D110 PolarHBondContact O-N 2.55Å; D110-K114 WeakPolarHBondContact O-CD 3.5Å; D110-K114 VanDerWaalsContact O-CG 3.31Å; D110-K114 WeakPolarHBondContact O-CG 3.17Å; D110-K114 PolarHBondContact O-N 3.15Å
111	S	98.7	Very high	98.7	Very high	27 Å²	27	48.9 Å²	48.9	19%	0.189	26%	0.258	C	S	.	.	H	α-helix	trans	-73	-40.1	174.1	-174.2	0	0	0	0	112.1	Q21 M24 A107 V108 N109 L113 K114 L115	Q21-S111 VanDerWaalsContact OE1-CB 3.24Å; Q21-S111 PolarHBondContact OE1-OG 3.43Å; M24-S111 WeakPolarHBondContact SD-CB 3.35Å; A107-S111 PolarHBondContact O-N 3.4Å; A107-S111 VanDerWaalsContact O-N 3.09Å; V108-S111 WeakPolarHBondContact O-CB 3.45Å; V108-S111 PolarHBondContact O-N 3.43Å; V108-S111 VanDerWaalsContact O-N 3.1Å; N109-S111 PolarHBondContact O-N 2.89Å; S111-L113 PolarHBondContact O-N 3.45Å; S111-K114 WeakPolarHBondContact O-CB 3.28Å; S111-K114 PolarHBondContact O-N 2.9Å; S111-L115 PolarHBondContact O-N 3.34Å
112	L	98.8	Very high	98.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62	-41.1	173.6	-72.7	163.4	0	0	0	112.2	Q21 V108 N109 K114 L115 H116 I131 Y135 L136 Q139	Q21-L112 HydrophobicContact CG-CD2 3.84Å; V108-L112 HydrophobicContact CG1-CD1 4.09Å; V108-L112 PolarHBondContact O-N 3Å; N109-L112 WeakPolarHBondContact O-CB 3.46Å; N109-L112 PolarHBondContact O-N 3.09Å; N109-L112 VanDerWaalsContact O-N 3.11Å; L112-K114 VanDerWaalsContact C-N 3.33Å; L112-K114 PolarHBondContact O-N 3.41Å; L112-L115 WeakPolarHBondContact O-CB 3.19Å; L112-L115 PolarHBondContact O-N 2.59Å; L112-H116 WeakPolarHBondContact O-CB 3.42Å; L112-H116 PolarHBondContact O-N 2.86Å; L112-I131 HydrophobicContact CB-CG2 4.46Å; L112-I131 HydrophobicContact CD2-CG2 4.39Å; L112-Y135 HydrophobicContact CD1-CG 4.49Å; L112-Y135 HydrophobicContact CD2-CD1 4.31Å; L112-Y135 HydrophobicContact CD2-CG 4.07Å; L112-L136 HydrophobicContact CB-CD2 3.91Å; L112-Q139 HydrophobicContact CD1-CG 3.57Å
113	L	98.8	Very high	98.7	Very high	81 Å²	81	56.4 Å²	56.4	42%	0.424	30%	0.298	S	S	.	.	H	α-helix	trans	-62.5	-38.8	174.9	-69.2	174.1	0	0	0	111.9	N109 S111 H116 E117 L136	N109-L113 WeakPolarHBondContact O-CG 3.2Å; N109-L113 PolarHBondContact O-N 3.3Å; S111-L113 PolarHBondContact O-N 3.45Å; L113-H116 WeakPolarHBondContact O-CB 3.46Å; L113-H116 PolarHBondContact O-N 3.41Å; L113-E117 PolarHBondContact O-N 3.44Å; L113-L136 HydrophobicContact CD2-CD1 4.33Å; L113-L136 HydrophobicContact CD2-CD2 4.09Å
114	K	98.8	Very high	98.7	Very high	127 Å²	127	52.7 Å²	52.7	55%	0.552	27%	0.272	S	S	*	.	H	α-helix	trans	-67.3	-39.7	173.4	-70.5	165.6	-169.7	162.2	0	112	D110 S111 L112 H116 E117 I118	D110-K114 WeakPolarHBondContact O-CD 3.5Å; D110-K114 VanDerWaalsContact O-CG 3.31Å; D110-K114 WeakPolarHBondContact O-CG 3.17Å; D110-K114 PolarHBondContact O-N 3.15Å; S111-K114 WeakPolarHBondContact O-CB 3.28Å; S111-K114 PolarHBondContact O-N 2.9Å; L112-K114 VanDerWaalsContact C-N 3.33Å; L112-K114 PolarHBondContact O-N 3.41Å; K114-H116 VanDerWaalsContact C-N 3.3Å; K114-E117 PolarHBondContact O-N 3.47Å; K114-I118 WeakPolarHBondContact O-CG1 3.34Å; K114-I118 PolarHBondContact O-N 2.86Å
115	L	98.9	Very high	98.7	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-62.7	-40.8	174.7	172.4	60.1	0	0	0	110.9	A17 I18 Q21 S111 L112 I118 A119 L127 I131	A17-L115 HydrophobicContact CB-CD1 3.39Å; I18-L115 HydrophobicContact CG1-CD1 3.98Å; I18-L115 HydrophobicContact CG1-CD2 4.17Å; Q21-L115 HydrophobicContact CB-CD2 4.12Å; Q21-L115 HydrophobicContact CG-CD2 4.36Å; S111-L115 PolarHBondContact O-N 3.34Å; L112-L115 WeakPolarHBondContact O-CB 3.19Å; L112-L115 PolarHBondContact O-N 2.59Å; L115-I118 PolarHBondContact O-N 3.27Å; L115-A119 PolarHBondContact O-N 2.95Å; L115-L127 HydrophobicContact CD1-CD2 4.39Å; L115-I131 HydrophobicContact CB-CD1 4.42Å; L115-I131 HydrophobicContact CD2-CD1 4Å; L115-I131 HydrophobicContact CD2-CG1 4.18Å; L115-I131 HydrophobicContact CG-CD1 3.62Å; L115-I131 HydrophobicContact CG-CG1 4.34Å
116	H	98.8	Very high	98.7	Very high	45 Å²	45	57.7 Å²	57.7	21%	0.208	31%	0.311	C	S	.	.	H	α-helix	trans	-61.6	-46.6	174.1	-178.8	-78.6	0	0	0	111.8	L112 L113 K114 I118 A119 A120 I131 E132	L112-H116 WeakPolarHBondContact O-CB 3.42Å; L112-H116 PolarHBondContact O-N 2.86Å; L113-H116 WeakPolarHBondContact O-CB 3.46Å; L113-H116 PolarHBondContact O-N 3.41Å; K114-H116 VanDerWaalsContact C-N 3.3Å; H116-I118 VanDerWaalsContact C-N 3.32Å; H116-I118 PolarHBondContact O-N 2.96Å; H116-A119 WeakPolarHBondContact O-CB 3.5Å; H116-A119 PolarHBondContact O-N 2.92Å; H116-A119 VanDerWaalsContact O-N 3.1Å; H116-A120 PolarHBondContact O-N 3.38Å; H116-I131 HydrophobicContact CB-CD1 4.24Å; H116-I131 HydrophobicContact CB-CG2 4.24Å; H116-E132 IonicContact CD2-OE1 3.49Å; H116-E132 IonicContact CE1-OE1 3.64Å; H116-E132 IonicContact NE2-OE1 2.6Å; H116-E132 PolarHBondContact NE2-OE1 3.49Å
117	E	98.8	Very high	98.7	Very high	133 Å²	133	53 Å²	53	62%	0.621	29%	0.291	S	S	*	.	H	α-helix	trans	-57.5	-44	175.4	-173.4	-171.9	166.4	0	0	111.8	L113 K114 A119 A120 K121	L113-E117 PolarHBondContact O-N 3.44Å; K114-E117 PolarHBondContact O-N 3.47Å; E117-A119 VanDerWaalsContact C-N 3.33Å; E117-A119 PolarHBondContact O-N 3.19Å; E117-A120 PolarHBondContact O-N 2.87Å; E117-K121 VanDerWaalsContact O-CB 3.29Å; E117-K121 WeakPolarHBondContact O-CB 3.39Å; E117-K121 PolarHBondContact O-N 3.08Å
118	I	98.9	Very high	98.7	Very high	40 Å²	40	52 Å²	52	21%	0.205	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-41.5	176.6	-71.3	167.2	0	0	0	111.1	E13 A17 K114 L115 H116 N122	E13-I118 HydrophobicContact CB-CG2 4.26Å; E13-I118 HydrophobicContact CG-CG2 3.75Å; A17-I118 HydrophobicContact CB-CD1 3.79Å; A17-I118 HydrophobicContact CB-CG2 4.36Å; K114-I118 WeakPolarHBondContact O-CG1 3.34Å; K114-I118 PolarHBondContact O-N 2.86Å; L115-I118 PolarHBondContact O-N 3.27Å; H116-I118 VanDerWaalsContact C-N 3.32Å; H116-I118 PolarHBondContact O-N 2.96Å; I118-N122 WeakPolarHBondContact O-CB 3.42Å; I118-N122 PolarHBondContact O-N 3.24Å; I118-N122 VanDerWaalsContact O-N 3.1Å; I118-N122 PolarHBondContact O-ND2 3.35Å
119	A	98.9	Very high	98.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.9	-45.8	176.8	0	0	0	0	0	111.7	L115 H116 E117 N122 N123 D124 L127 T128 I131	L115-A119 PolarHBondContact O-N 2.95Å; H116-A119 WeakPolarHBondContact O-CB 3.5Å; H116-A119 PolarHBondContact O-N 2.92Å; H116-A119 VanDerWaalsContact O-N 3.1Å; E117-A119 VanDerWaalsContact C-N 3.33Å; E117-A119 PolarHBondContact O-N 3.19Å; A119-N122 CarbonylContact O-C 3.55Å; A119-N122 PolarHBondContact O-N 3.29Å; A119-N123 PolarHBondContact O-N 3.36Å; A119-D124 PolarHBondContact O-N 3.09Å; A119-L127 HydrophobicContact CB-CB 3.9Å; A119-L127 HydrophobicContact CB-CD2 3.62Å; A119-L127 HydrophobicContact CB-CG 3.58Å; A119-T128 HydrophobicContact CB-CG2 3.64Å; A119-I131 HydrophobicContact CB-CD1 4.45Å
120	A	98.7	Very high	98.7	Very high	50 Å²	50	56.2 Å²	56.2	41%	0.413	30%	0.302	S	S	.	.	H	α-helix	trans	-62.2	-46.8	177.1	0	0	0	0	0	111.8	H116 E117 N122 N123 T128	H116-A120 PolarHBondContact O-N 3.38Å; E117-A120 PolarHBondContact O-N 2.87Å; A120-N122 PolarHBondContact O-N 2.94Å; A120-N123 PolarHBondContact O-N 3.18Å; A120-T128 HydrophobicContact CB-CG2 4.14Å
121	K	98.7	Very high	98.7	Very high	134 Å²	134	52 Å²	52	58%	0.583	28%	0.279	S	S	*	.	H	α-helix	trans	-55.8	-36.5	174.8	175.8	-169.7	167.6	-155.2	0	112.5	E13 E117 N123	E13-K121 IonicContact OE1-NZ 2.88Å; E13-K121 PolarHBondContact OE1-NZ 3.04Å; E13-K121 IonicContact OE2-NZ 3.85Å; E13-K121 PolarHBondContact OE2-NZ 2.78Å; E117-K121 VanDerWaalsContact O-CB 3.29Å; E117-K121 WeakPolarHBondContact O-CB 3.39Å; E117-K121 PolarHBondContact O-N 3.08Å; K121-N123 VanDerWaalsContact C-N 3.31Å
122	N	98.7	Very high	98.7	Very high	46 Å²	46	54.5 Å²	54.5	25%	0.246	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	7.8	178.9	-77	-86	0	0	0	113.5	A11 E13 I118 A119 A120 D124	A11-N122 HydrophobicContact CB-CB 4.06Å; A11-N122 VanDerWaalsContact CB-OD1 3.23Å; A11-N122 WeakPolarHBondContact CB-OD1 3.39Å; E13-N122 PolarHBondContact OE2-ND2 3.48Å; I118-N122 WeakPolarHBondContact O-CB 3.42Å; I118-N122 PolarHBondContact O-N 3.24Å; I118-N122 VanDerWaalsContact O-N 3.1Å; I118-N122 PolarHBondContact O-ND2 3.35Å; A119-N122 CarbonylContact O-C 3.55Å; A119-N122 PolarHBondContact O-N 3.29Å; A120-N122 PolarHBondContact O-N 2.94Å; N122-D124 VanDerWaalsContact C-N 3.29Å; N122-D124 PolarHBondContact O-N 3.11Å
123	N	98.4	Very high	98.7	Very high	128 Å²	128	57.2 Å²	57.2	68%	0.684	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	46.3	-175.6	-61.9	-64.7	0	0	0	112.5	N9 A119 A120 K121 P125	N9-N123 PolarHBondContact ND2-O 3.21Å; A119-N123 PolarHBondContact O-N 3.36Å; A120-N123 PolarHBondContact O-N 3.18Å; K121-N123 VanDerWaalsContact C-N 3.31Å; N123-P125 VanDerWaalsContact C-CD 3.4Å; N123-P125 WeakPolarHBondContact O-CD 3.46Å
124	D	98.7	Very high	98.7	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.011	31%	0.307	C	S	.	.			trans	-105	79	176.1	-167.9	-9.4	0	0	0	111.4	R74 A119 N122 A126 L127 T128	R74-D124 IonicContact CZ-OD1 3.35Å; R74-D124 IonicContact CZ-OD2 3.72Å; R74-D124 VanDerWaalsContact CZ-OD2 3.29Å; R74-D124 IonicContact NH1-OD1 3.29Å; R74-D124 PolarHBondContact NH1-OD1 3.29Å; R74-D124 VanDerWaalsContact NH1-OD1 3.07Å; R74-D124 IonicContact NH1-OD2 3.73Å; R74-D124 PolarHBondContact NH1-OD2 3.04Å; R74-D124 VanDerWaalsContact NH2-CG 3.29Å; R74-D124 IonicContact NH2-OD1 3.64Å; R74-D124 PolarHBondContact NH2-OD1 3.43Å; R74-D124 IonicContact NH2-OD2 3.24Å; R74-D124 PolarHBondContact NH2-OD2 3.21Å; A119-D124 PolarHBondContact O-N 3.09Å; N122-D124 VanDerWaalsContact C-N 3.29Å; N122-D124 PolarHBondContact O-N 3.11Å; D124-A126 PolarHBondContact O-N 3.15Å; D124-A126 PolarHBondContact OD1-N 2.9Å; D124-L127 HydrophobicContact CB-CB 4.13Å; D124-L127 PolarHBondContact O-N 3.01Å; D124-L127 VanDerWaalsContact O-N 3.09Å; D124-L127 PolarHBondContact OD1-N 3.18Å; D124-L127 WeakPolarHBondContact OD2-CB 3.48Å; D124-T128 PolarHBondContact O-N 2.9Å; D124-T128 VanDerWaalsContact O-N 3.1Å
125	P	98.4	Very high	98.7	Very high	88 Å²	88	51.7 Å²	51.7	57%	0.571	28%	0.281	S	S	*	.	H	α-helix	trans	-63.6	-24.7	-177.4	26.4	-35.8	0	0	0	113	N123 L127 T128 D129	N123-P125 VanDerWaalsContact C-CD 3.4Å; N123-P125 WeakPolarHBondContact O-CD 3.46Å; P125-L127 VanDerWaalsContact C-N 3.35Å; P125-T128 VanDerWaalsContact CA-OG1 3.28Å; P125-T128 WeakPolarHBondContact CA-OG1 3.2Å; P125-T128 PolarHBondContact O-OG1 3.32Å; P125-D129 WeakPolarHBondContact O-CB 3.08Å; P125-D129 PolarHBondContact O-N 2.98Å
126	A	98.5	Very high	98.6	Very high	48 Å²	48	52.6 Å²	52.6	40%	0.397	29%	0.286	S	S	.	.	H	α-helix	trans	-74.5	-28	178.1	0	0	0	0	0	112.2	Y70 D124 F130	Y70-A126 PolarHBondContact OH-O 3.06Å; D124-A126 PolarHBondContact O-N 3.15Å; D124-A126 PolarHBondContact OD1-N 2.9Å; A126-F130 WeakPolarHBondContact O-CB 3.34Å; A126-F130 PolarHBondContact O-N 2.6Å
127	L	98.8	Very high	98.6	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-81.5	-40.8	173.4	176.3	56.3	0	0	0	111.1	F10 C14 I18 Y70 L115 A119 D124 P125 D129 F130 I131	F10-L127 HydrophobicContact CE2-CD2 4.38Å; C14-L127 HydrophobicContact CB-CD2 3.68Å; I18-L127 HydrophobicContact CD1-CD1 3.86Å; I18-L127 HydrophobicContact CD1-CD2 4.07Å; I18-L127 HydrophobicContact CG1-CD1 4.34Å; Y70-L127 HydrophobicContact CD1-CD1 4.42Å; Y70-L127 HydrophobicContact CE1-CD1 3.71Å; Y70-L127 VanDerWaalsContact OH-CA 3.3Å; Y70-L127 WeakPolarHBondContact OH-CA 3.34Å; Y70-L127 PolarHBondContact OH-N 3.02Å; L115-L127 HydrophobicContact CD1-CD2 4.39Å; A119-L127 HydrophobicContact CB-CB 3.9Å; A119-L127 HydrophobicContact CB-CD2 3.62Å; A119-L127 HydrophobicContact CB-CG 3.58Å; D124-L127 HydrophobicContact CB-CB 4.13Å; D124-L127 PolarHBondContact O-N 3.01Å; D124-L127 VanDerWaalsContact O-N 3.09Å; D124-L127 PolarHBondContact OD1-N 3.18Å; D124-L127 WeakPolarHBondContact OD2-CB 3.48Å; P125-L127 VanDerWaalsContact C-N 3.35Å; L127-D129 PolarHBondContact O-N 3.03Å; L127-F130 HydrophobicContact CD1-CD1 4.22Å; L127-F130 PolarHBondContact O-N 3Å; L127-I131 HydrophobicContact CD1-CD1 3.71Å; L127-I131 HydrophobicContact CD1-CG1 3.93Å; L127-I131 HydrophobicContact CG-CD1 3.77Å; L127-I131 HydrophobicContact CG-CG1 4.48Å; L127-I131 VanDerWaalsContact O-CD1 3.32Å; L127-I131 WeakPolarHBondContact O-CD1 3.34Å; L127-I131 VanDerWaalsContact O-CG1 3.27Å; L127-I131 WeakPolarHBondContact O-CG1 3.49Å; L127-I131 PolarHBondContact O-N 3Å
128	T	98.8	Very high	98.5	Very high	21 Å²	21	52.9 Å²	52.9	13%	0.129	29%	0.287	C	S	.	.	H	α-helix	trans	-59.1	-48.8	174.7	56.4	0	0	0	0	111.2	A119 A120 D124 P125 F130 I131 E132	A119-T128 HydrophobicContact CB-CG2 3.64Å; A120-T128 HydrophobicContact CB-CG2 4.14Å; D124-T128 PolarHBondContact O-N 2.9Å; D124-T128 VanDerWaalsContact O-N 3.1Å; P125-T128 VanDerWaalsContact CA-OG1 3.28Å; P125-T128 WeakPolarHBondContact CA-OG1 3.2Å; P125-T128 PolarHBondContact O-OG1 3.32Å; T128-F130 VanDerWaalsContact C-N 3.33Å; T128-F130 PolarHBondContact O-N 3.45Å; T128-I131 PolarHBondContact O-N 2.88Å; T128-E132 WeakPolarHBondContact O-CB 3.48Å; T128-E132 VanDerWaalsContact O-CG 3.3Å; T128-E132 WeakPolarHBondContact O-CG 3.47Å; T128-E132 PolarHBondContact O-N 3.24Å
129	D	98.8	Very high	98.5	Very high	99 Å²	99	51.2 Å²	51.2	53%	0.529	28%	0.278	S	S	.	.	H	α-helix	trans	-59.4	-41.3	177.1	175	76.1	0	0	0	112.2	P125 L127 I131 E132 S133	P125-D129 WeakPolarHBondContact O-CB 3.08Å; P125-D129 PolarHBondContact O-N 2.98Å; L127-D129 PolarHBondContact O-N 3.03Å; D129-I131 PolarHBondContact O-N 3.06Å; D129-E132 PolarHBondContact O-N 2.86Å; D129-S133 WeakPolarHBondContact O-CB 3.25Å; D129-S133 PolarHBondContact O-N 3.16Å; D129-S133 PolarHBondContact O-OG 2.93Å
130	F	98.8	Very high	98.5	Very high	19 Å²	19	56.8 Å²	56.8	8%	0.083	31%	0.305	C	S	.	.	H	α-helix	trans	-63.4	-42.5	176.8	173.2	-106.3	0	0	0	112.5	L67 Y70 A126 L127 T128 Q134 Y135	L67-F130 HydrophobicContact CD2-CE1 4.05Å; Y70-F130 VanDerWaalsContact CB-CZ 3.41Å; Y70-F130 AromaticContact CD1-CD1 3.84Å; Y70-F130 HydrophobicContact CD1-CD1 3.84Å; Y70-F130 AromaticContact CD1-CE1 3.8Å; Y70-F130 HydrophobicContact CD1-CE1 3.8Å; Y70-F130 HydrophobicContact CD1-CG 4.41Å; Y70-F130 HydrophobicContact CD1-CZ 4.37Å; Y70-F130 HydrophobicContact CD2-CB 4.2Å; Y70-F130 AromaticContact CD2-CD1 3.66Å; Y70-F130 HydrophobicContact CD2-CD1 3.66Å; Y70-F130 AromaticContact CD2-CD2 3.35Å; Y70-F130 HydrophobicContact CD2-CD2 3.35Å; Y70-F130 AromaticContact CD2-CE1 3.73Å; Y70-F130 HydrophobicContact CD2-CE1 3.73Å; Y70-F130 AromaticContact CD2-CE2 3.45Å; Y70-F130 HydrophobicContact CD2-CE2 3.45Å; Y70-F130 VanDerWaalsContact CD2-CE2 3.45Å; Y70-F130 AromaticContact CD2-CG 3.45Å; Y70-F130 HydrophobicContact CD2-CG 3.45Å; Y70-F130 VanDerWaalsContact CD2-CG 3.45Å; Y70-F130 AromaticContact CD2-CZ 3.64Å; Y70-F130 HydrophobicContact CD2-CZ 3.64Å; Y70-F130 AromaticContact CE1-CD1 3.98Å; Y70-F130 HydrophobicContact CE1-CD1 3.98Å; Y70-F130 HydrophobicContact CE1-CE1 4.41Å; Y70-F130 HydrophobicContact CE1-CG 4.35Å; Y70-F130 HydrophobicContact CE2-CB 3.54Å; Y70-F130 AromaticContact CE2-CD1 3.76Å; Y70-F130 HydrophobicContact CE2-CD1 3.76Å; Y70-F130 AromaticContact CE2-CD2 3.57Å; Y70-F130 HydrophobicContact CE2-CD2 3.57Å; Y70-F130 HydrophobicContact CE2-CE1 4.31Å; Y70-F130 HydrophobicContact CE2-CE2 4.16Å; Y70-F130 AromaticContact CE2-CG 3.32Å; Y70-F130 HydrophobicContact CE2-CG 3.32Å; Y70-F130 HydrophobicContact CE2-CZ 4.5Å; Y70-F130 AromaticContact CG-CD1 3.69Å; Y70-F130 HydrophobicContact CG-CD1 3.69Å; Y70-F130 HydrophobicContact CG-CD2 4.1Å; Y70-F130 AromaticContact CG-CE1 3.43Å; Y70-F130 HydrophobicContact CG-CE1 3.43Å; Y70-F130 VanDerWaalsContact CG-CE1 3.43Å; Y70-F130 AromaticContact CG-CE2 3.89Å; Y70-F130 HydrophobicContact CG-CE2 3.89Å; Y70-F130 AromaticContact CG-CG 4Å; Y70-F130 HydrophobicContact CG-CG 4Å; Y70-F130 AromaticContact CG-CZ 3.54Å; Y70-F130 HydrophobicContact CG-CZ 3.54Å; Y70-F130 AromaticContact CZ-CD1 3.91Å; Y70-F130 AromaticContact CZ-CG 3.81Å; A126-F130 WeakPolarHBondContact O-CB 3.34Å; A126-F130 PolarHBondContact O-N 2.6Å; L127-F130 HydrophobicContact CD1-CD1 4.22Å; L127-F130 PolarHBondContact O-N 3Å; T128-F130 VanDerWaalsContact C-N 3.33Å; T128-F130 PolarHBondContact O-N 3.45Å; F130-Q134 HydrophobicContact CD2-CB 4.41Å; F130-Q134 HydrophobicContact CD2-CG 3.68Å; F130-Q134 HydrophobicContact CE2-CB 4.27Å; F130-Q134 HydrophobicContact CE2-CG 3.74Å; F130-Q134 WeakPolarHBondContact O-CB 3.39Å; F130-Q134 WeakPolarHBondContact O-CG 3.48Å; F130-Q134 PolarHBondContact O-N 3.36Å; F130-Q134 VanDerWaalsContact O-N 3.08Å; F130-Y135 HydrophobicContact CD1-CE2 4.25Å; F130-Y135 AromaticContact CE1-CE2 3.59Å; F130-Y135 HydrophobicContact CE1-CE2 3.59Å; F130-Y135 HydrophobicContact CE2-CE2 4.31Å; F130-Y135 AromaticContact CZ-CE2 3.63Å; F130-Y135 HydrophobicContact CZ-CE2 3.63Å
131	I	98.8	Very high	98.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-67.3	-45.8	178.8	-63.4	155.1	0	0	0	110.4	L112 L115 H116 A119 L127 T128 D129 Y135 L136	L112-I131 HydrophobicContact CB-CG2 4.46Å; L112-I131 HydrophobicContact CD2-CG2 4.39Å; L115-I131 HydrophobicContact CB-CD1 4.42Å; L115-I131 HydrophobicContact CD2-CD1 4Å; L115-I131 HydrophobicContact CD2-CG1 4.18Å; L115-I131 HydrophobicContact CG-CD1 3.62Å; L115-I131 HydrophobicContact CG-CG1 4.34Å; H116-I131 HydrophobicContact CB-CD1 4.24Å; H116-I131 HydrophobicContact CB-CG2 4.24Å; A119-I131 HydrophobicContact CB-CD1 4.45Å; L127-I131 HydrophobicContact CD1-CD1 3.71Å; L127-I131 HydrophobicContact CD1-CG1 3.93Å; L127-I131 HydrophobicContact CG-CD1 3.77Å; L127-I131 HydrophobicContact CG-CG1 4.48Å; L127-I131 VanDerWaalsContact O-CD1 3.32Å; L127-I131 WeakPolarHBondContact O-CD1 3.34Å; L127-I131 VanDerWaalsContact O-CG1 3.27Å; L127-I131 WeakPolarHBondContact O-CG1 3.49Å; L127-I131 PolarHBondContact O-N 3Å; T128-I131 PolarHBondContact O-N 2.88Å; D129-I131 PolarHBondContact O-N 3.06Å; I131-Y135 PolarHBondContact O-N 3.23Å; I131-L136 HydrophobicContact CG2-CD1 4.34Å; I131-L136 HydrophobicContact CG2-CD2 4.08Å; I131-L136 HydrophobicContact CG2-CG 3.97Å; I131-L136 PolarHBondContact O-N 3Å; I131-L136 VanDerWaalsContact O-N 3.09Å
132	E	98.6	Very high	98.4	Very high	79 Å²	79	54.3 Å²	54.3	37%	0.369	29%	0.293	S	S	.	.	I	π-helix	trans	-59.1	-52.2	177.9	-71.7	168.4	-161	0	0	111.5	H116 T128 D129 L136 H137	H116-E132 IonicContact CD2-OE1 3.49Å; H116-E132 IonicContact CE1-OE1 3.64Å; H116-E132 IonicContact NE2-OE1 2.6Å; H116-E132 PolarHBondContact NE2-OE1 3.49Å; T128-E132 WeakPolarHBondContact O-CB 3.48Å; T128-E132 VanDerWaalsContact O-CG 3.3Å; T128-E132 WeakPolarHBondContact O-CG 3.47Å; T128-E132 PolarHBondContact O-N 3.24Å; D129-E132 PolarHBondContact O-N 2.86Å; E132-L136 HydrophobicContact CG-CD1 4.01Å; E132-H137 PolarHBondContact O-CD2 3.29Å
133	S	98.1	Very high	98.4	Very high	58 Å²	58	53.7 Å²	53.7	41%	0.406	29%	0.289	S	S	.	.	I	π-helix	trans	-77.3	-21.9	-172.2	62.3	0	0	0	0	114.9	D129	D129-S133 WeakPolarHBondContact O-CB 3.25Å; D129-S133 PolarHBondContact O-N 3.16Å; D129-S133 PolarHBondContact O-OG 2.93Å
134	Q	98.1	Very high	98.4	Very high	89 Å²	89	53.1 Å²	53.1	42%	0.416	28%	0.281	S	S	.	.	I	π-helix	trans	-113.9	-14.2	-174.3	-57.8	-67.3	-89.7	0	0	114.1	F130	F130-Q134 HydrophobicContact CD2-CB 4.41Å; F130-Q134 HydrophobicContact CD2-CG 3.68Å; F130-Q134 HydrophobicContact CE2-CB 4.27Å; F130-Q134 HydrophobicContact CE2-CG 3.74Å; F130-Q134 WeakPolarHBondContact O-CB 3.39Å; F130-Q134 WeakPolarHBondContact O-CG 3.48Å; F130-Q134 PolarHBondContact O-N 3.36Å; F130-Q134 VanDerWaalsContact O-N 3.08Å
135	Y	98.7	Very high	98.4	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.008	30%	0.297	C	S	.	.	I	π-helix	trans	-136.9	-45.8	-174	-57.6	-93.4	0	0	0	113.4	H63 N66 L67 L112 F130 I131 H137 E138 Q139	H63-Y135 HydrophobicContact CB-CE1 4.07Å; N66-Y135 WeakPolarHBondContact CB-OH 3.3Å; N66-Y135 PolarHBondContact ND2-OH 3.22Å; L67-Y135 HydrophobicContact CD1-CE1 4.42Å; L67-Y135 HydrophobicContact CD2-CE1 4.23Å; L67-Y135 HydrophobicContact CD2-CE2 4.01Å; L67-Y135 HydrophobicContact CG-CE1 4.04Å; L67-Y135 WeakPolarHBondContact CG-OH 3.5Å; L67-Y135 PolarHBondContact N-OH 2.91Å; L112-Y135 HydrophobicContact CD1-CG 4.49Å; L112-Y135 HydrophobicContact CD2-CD1 4.31Å; L112-Y135 HydrophobicContact CD2-CG 4.07Å; F130-Y135 HydrophobicContact CD1-CE2 4.25Å; F130-Y135 AromaticContact CE1-CE2 3.59Å; F130-Y135 HydrophobicContact CE1-CE2 3.59Å; F130-Y135 HydrophobicContact CE2-CE2 4.31Å; F130-Y135 AromaticContact CZ-CE2 3.63Å; F130-Y135 HydrophobicContact CZ-CE2 3.63Å; I131-Y135 PolarHBondContact O-N 3.23Å; Y135-H137 PolarHBondContact O-N 2.8Å; Y135-E138 WeakPolarHBondContact O-CB 3.49Å; Y135-E138 PolarHBondContact O-N 3.31Å; Y135-E138 VanDerWaalsContact O-N 3.11Å; Y135-Q139 WeakPolarHBondContact O-CG 3.34Å; Y135-Q139 PolarHBondContact O-N 2.9Å
136	L	98.6	Very high	98.4	Very high	23 Å²	23	52.8 Å²	52.8	12%	0.12	27%	0.271	C	S	.	.	I	π-helix	trans	-63.7	-42.8	-170.7	-63.6	-174.3	0	0	0	113	L112 L113 I131 E132 E138 Q139 E140	L112-L136 HydrophobicContact CB-CD2 3.91Å; L113-L136 HydrophobicContact CD2-CD1 4.33Å; L113-L136 HydrophobicContact CD2-CD2 4.09Å; I131-L136 HydrophobicContact CG2-CD1 4.34Å; I131-L136 HydrophobicContact CG2-CD2 4.08Å; I131-L136 HydrophobicContact CG2-CG 3.97Å; I131-L136 PolarHBondContact O-N 3Å; I131-L136 VanDerWaalsContact O-N 3.09Å; E132-L136 HydrophobicContact CG-CD1 4.01Å; L136-E138 VanDerWaalsContact C-N 3.29Å; L136-E138 PolarHBondContact O-N 3.34Å; L136-Q139 PolarHBondContact O-N 3.43Å; L136-E140 WeakPolarHBondContact O-CG 3.17Å; L136-E140 PolarHBondContact O-N 3.48Å
137	H	97.5	Very high	98.4	Very high	116 Å²	116	52.1 Å²	52.1	54%	0.537	27%	0.266	S	S	.	.	H	α-helix	trans	-65.3	-34	175.7	-67.7	-48.4	0	0	0	113	E132 Y135 E140 N141	E132-H137 PolarHBondContact O-CD2 3.29Å; Y135-H137 PolarHBondContact O-N 2.8Å; H137-E140 IonicContact ND1-OE2 3.8Å; H137-N141 PolarHBondContact O-N 3.23Å; H137-N141 PolarHBondContact O-ND2 3.35Å
138	E	97.7	Very high	98.4	Very high	69 Å²	69	55 Å²	55	32%	0.322	28%	0.281	S	S	.	.	H	α-helix	trans	-69.2	-46.1	177.3	-173.8	159.5	-168	0	0	110.8	H63 Y135 L136 E140 N141 A142	H63-E138 IonicContact CE1-OE1 2.72Å; H63-E138 IonicContact NE2-OE1 3.06Å; H63-E138 PolarHBondContact NE2-OE1 3.37Å; H63-E138 IonicContact NE2-OE2 3.67Å; Y135-E138 WeakPolarHBondContact O-CB 3.49Å; Y135-E138 PolarHBondContact O-N 3.31Å; Y135-E138 VanDerWaalsContact O-N 3.11Å; L136-E138 VanDerWaalsContact C-N 3.29Å; L136-E138 PolarHBondContact O-N 3.34Å; E138-E140 VanDerWaalsContact C-N 3.33Å; E138-E140 PolarHBondContact O-N 3.44Å; E138-N141 WeakPolarHBondContact O-CB 3.22Å; E138-N141 PolarHBondContact O-N 2.97Å; E138-A142 PolarHBondContact O-N 3.45Å
139	Q	98.1	Very high	98.4	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.019	28%	0.28	C	S	.	.	H	α-helix	trans	-61	-38.7	174.2	-70	-47.4	84.7	0	0	112.8	E105 N109 L112 Y135 L136 N141 A142 I143	E105-Q139 PolarHBondContact O-NE2 2.95Å; E105-Q139 PolarHBondContact OE2-NE2 3.22Å; N109-Q139 HydrophobicContact CB-CB 3.97Å; N109-Q139 HydrophobicContact CB-CG 4.1Å; N109-Q139 WeakPolarHBondContact OD1-CB 3.28Å; L112-Q139 HydrophobicContact CD1-CG 3.57Å; Y135-Q139 WeakPolarHBondContact O-CG 3.34Å; Y135-Q139 PolarHBondContact O-N 2.9Å; L136-Q139 PolarHBondContact O-N 3.43Å; Q139-N141 VanDerWaalsContact C-N 3.28Å; Q139-N141 PolarHBondContact O-N 3.32Å; Q139-A142 PolarHBondContact O-N 2.77Å; Q139-I143 VanDerWaalsContact O-CB 3.28Å; Q139-I143 WeakPolarHBondContact O-CB 3.15Å; Q139-I143 WeakPolarHBondContact O-CD1 3.18Å; Q139-I143 WeakPolarHBondContact O-CG1 3.3Å; Q139-I143 PolarHBondContact O-N 2.85Å
140	E	98.3	Very high	98.4	Very high	118 Å²	118	51.6 Å²	51.6	55%	0.551	26%	0.261	S	S	*	.	H	α-helix	trans	-58.7	-42.4	174	-76	176.5	164.1	0	0	111.6	L136 H137 E138 K144	L136-E140 WeakPolarHBondContact O-CG 3.17Å; L136-E140 PolarHBondContact O-N 3.48Å; H137-E140 IonicContact ND1-OE2 3.8Å; E138-E140 VanDerWaalsContact C-N 3.33Å; E138-E140 PolarHBondContact O-N 3.44Å; E140-K144 WeakPolarHBondContact O-CB 3.31Å; E140-K144 PolarHBondContact O-N 2.72Å; E140-K144 VanDerWaalsContact O-N 3.08Å
141	N	98.3	Very high	98.4	Very high	115 Å²	115	54.5 Å²	54.5	62%	0.615	28%	0.281	S	S	*	.	H	α-helix	trans	-69	-44.9	177.3	-68.1	-37.1	0	0	0	112	H137 E138 Q139 K144 Q145	H137-N141 PolarHBondContact O-N 3.23Å; H137-N141 PolarHBondContact O-ND2 3.35Å; E138-N141 WeakPolarHBondContact O-CB 3.22Å; E138-N141 PolarHBondContact O-N 2.97Å; Q139-N141 VanDerWaalsContact C-N 3.28Å; Q139-N141 PolarHBondContact O-N 3.32Å; N141-K144 PolarHBondContact O-N 2.86Å; N141-Q145 WeakPolarHBondContact O-CB 3.45Å; N141-Q145 PolarHBondContact O-N 3.4Å
142	A	98	Very high	98.4	Very high	17 Å²	17	57.1 Å²	57.1	14%	0.14	29%	0.293	C	S	.	.	H	α-helix	trans	-61.8	-47.3	178.4	0	0	0	0	0	111.4	E105 E138 Q139 K144 Q145 F146	E105-A142 HydrophobicContact CG-CB 4.27Å; E138-A142 PolarHBondContact O-N 3.45Å; Q139-A142 PolarHBondContact O-N 2.77Å; A142-K144 VanDerWaalsContact C-N 3.3Å; A142-K144 PolarHBondContact O-N 3Å; A142-Q145 PolarHBondContact O-N 2.77Å; A142-F146 WeakPolarHBondContact O-CD2 3.49Å; A142-F146 PolarHBondContact O-N 2.95Å
143	I	98.8	Very high	98.3	Very high	32 Å²	32	53.4 Å²	53.4	16%	0.164	28%	0.275	C	S	.	.	H	α-helix	trans	-59.3	-43.1	176.2	-70.2	167.6	0	0	0	110.6	L102 E105 K106 N109 Q139 A147	L102-I143 HydrophobicContact CD1-CG2 4.04Å; L102-I143 WeakPolarHBondContact CD1-O 3.5Å; E105-I143 HydrophobicContact CB-CG1 3.92Å; K106-I143 HydrophobicContact CG-CD1 4.06Å; K106-I143 HydrophobicContact CG-CG1 4.12Å; K106-I143 HydrophobicContact CG-CG2 4.31Å; N109-I143 HydrophobicContact CB-CD1 3.87Å; Q139-I143 VanDerWaalsContact O-CB 3.28Å; Q139-I143 WeakPolarHBondContact O-CB 3.15Å; Q139-I143 WeakPolarHBondContact O-CD1 3.18Å; Q139-I143 WeakPolarHBondContact O-CG1 3.3Å; Q139-I143 PolarHBondContact O-N 2.85Å; I143-A147 VanDerWaalsContact O-CB 3.25Å; I143-A147 WeakPolarHBondContact O-CB 3.44Å; I143-A147 PolarHBondContact O-N 3.48Å
144	K	98.7	Very high	98.3	Very high	117 Å²	117	56.2 Å²	56.2	51%	0.509	29%	0.286	S	S	.	.	H	α-helix	trans	-63.4	-45.5	176.9	178.9	59.7	171.2	75.3	0	111.6	E140 N141 A142 A147 D148	E140-K144 WeakPolarHBondContact O-CB 3.31Å; E140-K144 PolarHBondContact O-N 2.72Å; E140-K144 VanDerWaalsContact O-N 3.08Å; N141-K144 PolarHBondContact O-N 2.86Å; A142-K144 VanDerWaalsContact C-N 3.3Å; A142-K144 PolarHBondContact O-N 3Å; K144-A147 PolarHBondContact O-N 2.91Å; K144-D148 IonicContact NZ-OD1 2.84Å; K144-D148 PolarHBondContact NZ-OD1 2.81Å; K144-D148 IonicContact NZ-OD2 2.66Å; K144-D148 PolarHBondContact NZ-OD2 2.88Å; K144-D148 PolarHBondContact O-N 3.5Å
145	Q	98.2	Very high	98.3	Very high	76 Å²	76	60.5 Å²	60.5	36%	0.355	30%	0.298	S	S	.	.	H	α-helix	trans	-60.9	-49.6	179.9	-177.8	179.6	27.2	0	0	111.5	N141 A142 A147 D148 Y149	N141-Q145 WeakPolarHBondContact O-CB 3.45Å; N141-Q145 PolarHBondContact O-N 3.4Å; A142-Q145 PolarHBondContact O-N 2.77Å; Q145-A147 VanDerWaalsContact C-N 3.34Å; Q145-A147 PolarHBondContact O-N 2.59Å; Q145-D148 WeakPolarHBondContact O-CB 3.4Å; Q145-D148 PolarHBondContact O-N 3.08Å; Q145-Y149 HydrophobicContact CG-CD2 4.1Å; Q145-Y149 HydrophobicContact CG-CE1 4.3Å; Q145-Y149 HydrophobicContact CG-CE2 3.57Å; Q145-Y149 PolarHBondContact NE2-OH 3.05Å; Q145-Y149 PolarHBondContact O-N 3.29Å
146	F	98.6	Very high	98.2	Very high	7 Å²	7	63.4 Å²	63.4	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-67.6	-33.9	178.9	-77.7	-67	0	0	0	112.7	F52 F53 M98 A101 L102 E105 A142 D148 Y149 V150	F52-F146 AromaticContact CE1-CE1 3.72Å; F52-F146 HydrophobicContact CE1-CE1 3.72Å; F52-F146 AromaticContact CE1-CZ 3.76Å; F52-F146 HydrophobicContact CE1-CZ 3.76Å; F52-F146 HydrophobicContact CZ-CE1 4.11Å; F52-F146 AromaticContact CZ-CZ 3.98Å; F52-F146 HydrophobicContact CZ-CZ 3.98Å; F53-F146 AromaticContact CE1-CE1 3.94Å; F53-F146 HydrophobicContact CE1-CE1 3.94Å; F53-F146 HydrophobicContact CE1-CZ 4.23Å; F53-F146 HydrophobicContact CZ-CE1 4.36Å; M98-F146 HydrophobicContact SD-CD1 3.91Å; M98-F146 HydrophobicContact SD-CE1 4.02Å; A101-F146 HydrophobicContact CB-CD1 3.6Å; A101-F146 HydrophobicContact CB-CD2 4.47Å; A101-F146 HydrophobicContact CB-CE1 3.38Å; A101-F146 HydrophobicContact CB-CE2 4.28Å; A101-F146 HydrophobicContact CB-CG 4.16Å; A101-F146 HydrophobicContact CB-CZ 3.75Å; L102-F146 HydrophobicContact CB-CB 3.92Å; L102-F146 HydrophobicContact CD1-CB 3.98Å; E105-F146 HydrophobicContact CG-CD2 3.65Å; E105-F146 HydrophobicContact CG-CE2 3.78Å; A142-F146 WeakPolarHBondContact O-CD2 3.49Å; A142-F146 PolarHBondContact O-N 2.95Å; F146-D148 VanDerWaalsContact C-N 3.32Å; F146-D148 PolarHBondContact O-N 3.39Å; F146-Y149 HydrophobicContact CD1-CD2 4.3Å; F146-Y149 PolarHBondContact O-N 3.29Å; F146-V150 WeakPolarHBondContact O-CG2 3.44Å; F146-V150 PolarHBondContact O-N 2.93Å
147	A	98.8	Very high	98.1	Very high	33 Å²	33	63.6 Å²	63.6	27%	0.273	32%	0.323	S	S	.	.	H	α-helix	trans	-63.8	-38.2	173.2	0	0	0	0	0	112.4	L102 I143 K144 Q145 T151	L102-A147 HydrophobicContact CD1-CB 4.23Å; L102-A147 HydrophobicContact CD2-CB 4.25Å; I143-A147 VanDerWaalsContact O-CB 3.25Å; I143-A147 WeakPolarHBondContact O-CB 3.44Å; I143-A147 PolarHBondContact O-N 3.48Å; K144-A147 PolarHBondContact O-N 2.91Å; Q145-A147 VanDerWaalsContact C-N 3.34Å; Q145-A147 PolarHBondContact O-N 2.59Å; A147-T151 PolarHBondContact O-N 3.38Å; A147-T151 PolarHBondContact O-OG1 3.01Å
148	D	98.7	Very high	97.9	Very high	60 Å²	60	63.2 Å²	63.2	32%	0.321	33%	0.325	S	S	.	.	H	α-helix	trans	-65.3	-46.6	172.4	-68.7	-19.4	0	0	0	110.6	K144 Q145 F146 V150 T151 E152	K144-D148 IonicContact NZ-OD1 2.84Å; K144-D148 PolarHBondContact NZ-OD1 2.81Å; K144-D148 IonicContact NZ-OD2 2.66Å; K144-D148 PolarHBondContact NZ-OD2 2.88Å; K144-D148 PolarHBondContact O-N 3.5Å; Q145-D148 WeakPolarHBondContact O-CB 3.4Å; Q145-D148 PolarHBondContact O-N 3.08Å; F146-D148 VanDerWaalsContact C-N 3.32Å; F146-D148 PolarHBondContact O-N 3.39Å; D148-V150 VanDerWaalsContact C-N 3.34Å; D148-V150 PolarHBondContact O-N 3.24Å; D148-T151 CarbonylContact O-C 3.52Å; D148-T151 WeakPolarHBondContact O-CA 3.49Å; D148-T151 WeakPolarHBondContact O-CB 3.28Å; D148-T151 PolarHBondContact O-N 2.81Å; D148-E152 WeakPolarHBondContact O-CB 3.33Å; D148-E152 VanDerWaalsContact O-CG 3.31Å; D148-E152 WeakPolarHBondContact O-CG 3.5Å; D148-E152 PolarHBondContact O-N 2.66Å
149	Y	98.5	Very high	97.8	Very high	26 Å²	26	62.5 Å²	62.5	10%	0.102	34%	0.337	C	S	.	.	H	α-helix	trans	-61.8	-38.2	179	-68.7	-14.8	0	0	0	113.3	F52 M98 Q145 F146 T151 E152 T153 F165 T169 L170	F52-Y149 HydrophobicContact CE2-CE2 4.1Å; F52-Y149 AromaticContact CZ-CE2 3.88Å; F52-Y149 HydrophobicContact CZ-CE2 3.88Å; M98-Y149 HydrophobicContact SD-CD2 3.81Å; M98-Y149 HydrophobicContact SD-CG 4.22Å; Q145-Y149 HydrophobicContact CG-CD2 4.1Å; Q145-Y149 HydrophobicContact CG-CE1 4.3Å; Q145-Y149 HydrophobicContact CG-CE2 3.57Å; Q145-Y149 PolarHBondContact NE2-OH 3.05Å; Q145-Y149 PolarHBondContact O-N 3.29Å; F146-Y149 HydrophobicContact CD1-CD2 4.3Å; F146-Y149 PolarHBondContact O-N 3.29Å; Y149-T151 VanDerWaalsContact C-N 3.33Å; Y149-T151 PolarHBondContact O-N 2.68Å; Y149-E152 PolarHBondContact O-N 3.38Å; Y149-T153 WeakPolarHBondContact O-CB 3.41Å; Y149-T153 VanDerWaalsContact O-CG2 3.28Å; Y149-T153 WeakPolarHBondContact O-CG2 3.33Å; Y149-T153 PolarHBondContact O-N 3.48Å; Y149-T153 PolarHBondContact O-OG1 3.01Å; Y149-F165 HydrophobicContact CD1-CE2 4.05Å; Y149-F165 AromaticContact CD1-CZ 3.7Å; Y149-F165 HydrophobicContact CD1-CZ 3.7Å; Y149-F165 HydrophobicContact CD2-CZ 4.47Å; Y149-F165 HydrophobicContact CE1-CZ 4.29Å; Y149-F165 AromaticContact CG-CZ 3.8Å; Y149-F165 HydrophobicContact CG-CZ 3.8Å; Y149-T169 HydrophobicContact CD1-CG2 4.17Å; Y149-T169 HydrophobicContact CE1-CG2 3.64Å; Y149-L170 HydrophobicContact CD2-CD2 4.27Å; Y149-L170 HydrophobicContact CE2-CD2 3.81Å
150	V	98.7	Very high	97.7	Very high	23 Å²	23	68.2 Å²	68.2	14%	0.139	37%	0.367	C	S	.	.	H	α-helix	trans	-57.2	-49.2	170.7	168.1	0	0	0	0	110.5	M98 N99 L102 F146 D148 E152 T153 D154	M98-V150 VanDerWaalsContact C-CG2 3.49Å; M98-V150 HydrophobicContact CB-CG2 3.71Å; N99-V150 HydrophobicContact CB-CG2 4.35Å; N99-V150 WeakPolarHBondContact OD1-CG1 3.5Å; L102-V150 HydrophobicContact CD2-CG2 4.19Å; F146-V150 WeakPolarHBondContact O-CG2 3.44Å; F146-V150 PolarHBondContact O-N 2.93Å; D148-V150 VanDerWaalsContact C-N 3.34Å; D148-V150 PolarHBondContact O-N 3.24Å; V150-E152 PolarHBondContact O-N 3.36Å; V150-T153 PolarHBondContact O-OG1 2.84Å; V150-D154 WeakPolarHBondContact O-CB 3.46Å; V150-D154 PolarHBondContact O-N 2.64Å; V150-D154 VanDerWaalsContact O-N 3.1Å
151	T	98.6	Very high	97.7	Very high	81 Å²	81	63.2 Å²	63.2	50%	0.497	35%	0.346	S	S	.	.	H	α-helix	trans	-64.5	-40.5	-179.3	-55.4	0	0	0	0	112.1	A147 D148 Y149 R155	A147-T151 PolarHBondContact O-N 3.38Å; A147-T151 PolarHBondContact O-OG1 3.01Å; D148-T151 CarbonylContact O-C 3.52Å; D148-T151 WeakPolarHBondContact O-CA 3.49Å; D148-T151 WeakPolarHBondContact O-CB 3.28Å; D148-T151 PolarHBondContact O-N 2.81Å; Y149-T151 VanDerWaalsContact C-N 3.33Å; Y149-T151 PolarHBondContact O-N 2.68Å; T151-R155 VanDerWaalsContact O-CB 3.25Å; T151-R155 WeakPolarHBondContact O-CB 3.46Å; T151-R155 PolarHBondContact O-N 3.38Å; T151-R155 VanDerWaalsContact O-N 3.1Å
152	E	98.3	Very high	97.7	Very high	55 Å²	55	58 Å²	58	26%	0.257	32%	0.318	S	S	.	.	H	α-helix	trans	-70.8	-45.9	-178.2	-72.4	-178.2	173.1	0	0	112	D148 Y149 V150 R155 V156 F165 T169	D148-E152 WeakPolarHBondContact O-CB 3.33Å; D148-E152 VanDerWaalsContact O-CG 3.31Å; D148-E152 WeakPolarHBondContact O-CG 3.5Å; D148-E152 PolarHBondContact O-N 2.66Å; Y149-E152 PolarHBondContact O-N 3.38Å; V150-E152 PolarHBondContact O-N 3.36Å; E152-R155 PolarHBondContact O-N 3.34Å; E152-V156 WeakPolarHBondContact O-CG1 3.47Å; E152-V156 WeakPolarHBondContact O-CG2 3.2Å; E152-V156 PolarHBondContact O-N 3.44Å; E152-F165 HydrophobicContact CB-CD2 4.08Å; E152-F165 HydrophobicContact CB-CE2 3.71Å; E152-F165 WeakPolarHBondContact OE2-CE2 3.43Å; E152-T169 WeakPolarHBondContact OE2-CG2 3.29Å
153	T	97.6	Very high	97.6	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-65.4	-39.4	179.4	52.1	0	0	0	0	111.9	L94 M98 Y149 V150 V156 G157 F165	L94-T153 HydrophobicContact CB-CG2 3.95Å; M98-T153 HydrophobicContact CG-CG2 4.23Å; Y149-T153 WeakPolarHBondContact O-CB 3.41Å; Y149-T153 VanDerWaalsContact O-CG2 3.28Å; Y149-T153 WeakPolarHBondContact O-CG2 3.33Å; Y149-T153 PolarHBondContact O-N 3.48Å; Y149-T153 PolarHBondContact O-OG1 3.01Å; V150-T153 PolarHBondContact O-OG1 2.84Å; T153-V156 WeakPolarHBondContact O-CG2 3.31Å; T153-G157 PolarHBondContact O-N 3.18Å; T153-F165 HydrophobicContact CG2-CD1 3.66Å; T153-F165 HydrophobicContact CG2-CD2 3.82Å; T153-F165 HydrophobicContact CG2-CE1 3.52Å; T153-F165 HydrophobicContact CG2-CE2 3.69Å; T153-F165 HydrophobicContact CG2-CG 3.81Å; T153-F165 HydrophobicContact CG2-CZ 3.55Å
154	D	97.3	Very high	97.6	Very high	118 Å²	118	64.9 Å²	64.9	63%	0.631	34%	0.344	S	S	*	.	H	α-helix	trans	-61.9	-47.1	172.9	-176.9	67.2	0	0	0	111.3	V95 V150 V156 G157	V95-D154 HydrophobicContact CG1-CB 4.33Å; V150-D154 WeakPolarHBondContact O-CB 3.46Å; V150-D154 PolarHBondContact O-N 2.64Å; V150-D154 VanDerWaalsContact O-N 3.1Å; D154-V156 PolarHBondContact O-N 3.44Å; D154-G157 PolarHBondContact O-N 3.43Å
155	R	98.3	Very high	97.6	Very high	179 Å²	179	59.6 Å²	59.6	68%	0.675	32%	0.321	S	S	*	.	H	α-helix	trans	-64.6	-38.5	-177.8	-178.7	175.3	63.4	-153.3	-2.2	113.7	T151 E152	T151-R155 VanDerWaalsContact O-CB 3.25Å; T151-R155 WeakPolarHBondContact O-CB 3.46Å; T151-R155 PolarHBondContact O-N 3.38Å; T151-R155 VanDerWaalsContact O-N 3.1Å; E152-R155 PolarHBondContact O-N 3.34Å
156	V	97.8	Very high	97.6	Very high	63 Å²	63	56 Å²	56	38%	0.382	31%	0.305	S	S	.	.	H	α-helix	trans	-77.1	-25.1	-179	-61.6	0	0	0	0	112.4	E152 T153 D154 G161 F165	E152-V156 WeakPolarHBondContact O-CG1 3.47Å; E152-V156 WeakPolarHBondContact O-CG2 3.2Å; E152-V156 PolarHBondContact O-N 3.44Å; T153-V156 WeakPolarHBondContact O-CG2 3.31Å; D154-V156 PolarHBondContact O-N 3.44Å; V156-G161 VanDerWaalsContact CG2-C 3.44Å; V156-G161 WeakPolarHBondContact O-CA 3.41Å; V156-F165 HydrophobicContact CG2-CB 4.33Å
157	G	95.7	Very high	97.5	Very high	26 Å²	26	59.4 Å²	59.4	27%	0.268	32%	0.319	S	S	.	.			trans	68.1	178	-178	0	0	0	0	0	114.5	T153 D154 G161 Q162	T153-G157 PolarHBondContact O-N 3.18Å; D154-G157 PolarHBondContact O-N 3.43Å; G157-G161 CarbonylContact O-C 3.53Å; G157-G161 WeakPolarHBondContact O-CA 3.23Å; G157-Q162 WeakPolarHBondContact O-CG 3.33Å; G157-Q162 PolarHBondContact O-N 2.93Å
158	N	93.8	Very high	97.3	Very high	109 Å²	109	64.8 Å²	64.8	58%	0.583	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	166.5	-172	-64.9	-5.2	0	0	0	113.3	L160 Q162	N158-L160 PolarHBondContact O-N 2.69Å; N158-Q162 PolarHBondContact OD1-NE2 2.94Å
159	G	94.5	Very high	97.2	Very high	54 Å²	54	63.9 Å²	63.9	56%	0.557	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	-116.9	178.6	0	0	0	0	0	111.9	G161 Y163	G159-G161 VanDerWaalsContact C-N 3.26Å; G159-G161 PolarHBondContact O-N 2.96Å; G159-Y163 WeakPolarHBondContact O-CB 3.31Å; G159-Y163 PolarHBondContact O-N 3.49Å
160	L	97.3	Very high	97	Very high	124 Å²	124	62.8 Å²	62.8	65%	0.649	33%	0.333	S	S	*	.	H	α-helix	trans	-59.9	-36	-177.3	-179.2	61.1	0	0	0	112.4	N158 Y163 L164	N158-L160 PolarHBondContact O-N 2.69Å; L160-Y163 HydrophobicContact CD1-CD1 4.22Å; L160-Y163 PolarHBondContact O-N 3.13Å; L160-L164 HydrophobicContact CD1-CD1 4.27Å; L160-L164 HydrophobicContact CD1-CG 4.12Å; L160-L164 HydrophobicContact CG-CD1 4.13Å; L160-L164 HydrophobicContact CG-CG 4.4Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.34Å; L160-L164 PolarHBondContact O-N 3.29Å
161	G	97.7	Very high	95.9	Very high	12 Å²	12	69.7 Å²	69.7	12%	0.124	36%	0.362	C	S	.	.	H	α-helix	trans	-61.6	-57.3	-179.7	0	0	0	0	0	112.6	V156 G157 G159 Y163 L164 F165	V156-G161 VanDerWaalsContact CG2-C 3.44Å; V156-G161 WeakPolarHBondContact O-CA 3.41Å; G157-G161 CarbonylContact O-C 3.53Å; G157-G161 WeakPolarHBondContact O-CA 3.23Å; G159-G161 VanDerWaalsContact C-N 3.26Å; G159-G161 PolarHBondContact O-N 2.96Å; G161-Y163 VanDerWaalsContact C-N 3.31Å; G161-Y163 PolarHBondContact O-N 2.93Å; G161-L164 PolarHBondContact O-N 2.98Å; G161-L164 VanDerWaalsContact O-N 3.13Å; G161-F165 PolarHBondContact O-N 3.42Å
162	Q	97.8	Very high	94	Very high	6 Å²	6	73.6 Å²	73.6	3%	0.028	37%	0.374	C	S	.	.	H	α-helix	trans	-63.5	-34	175.7	-80	-178.4	20.2	0	0	113.5	F46 L94 G157 N158 L164 F165 D166	F46-Q162 HydrophobicContact CE1-CB 4.14Å; F46-Q162 HydrophobicContact CZ-CB 4.22Å; L94-Q162 HydrophobicContact CB-CG 4.13Å; L94-Q162 HydrophobicContact CD1-CB 3.86Å; L94-Q162 HydrophobicContact CD1-CG 4Å; L94-Q162 HydrophobicContact CG-CB 4.47Å; L94-Q162 HydrophobicContact CG-CG 4.33Å; G157-Q162 WeakPolarHBondContact O-CG 3.33Å; G157-Q162 PolarHBondContact O-N 2.93Å; N158-Q162 PolarHBondContact OD1-NE2 2.94Å; Q162-L164 VanDerWaalsContact C-N 3.34Å; Q162-L164 PolarHBondContact O-N 3.46Å; Q162-F165 PolarHBondContact O-N 3.3Å; Q162-D166 PolarHBondContact O-N 2.99Å
163	Y	97.2	Very high	93.8	Very high	125 Å²	125	74.5 Å²	74.5	49%	0.49	38%	0.38	S	S	.	.	H	α-helix	trans	-58.7	-46	170.8	174.1	-95.2	0	0	0	111.5	G159 L160 G161 D166 K167	G159-Y163 WeakPolarHBondContact O-CB 3.31Å; G159-Y163 PolarHBondContact O-N 3.49Å; L160-Y163 HydrophobicContact CD1-CD1 4.22Å; L160-Y163 PolarHBondContact O-N 3.13Å; G161-Y163 VanDerWaalsContact C-N 3.31Å; G161-Y163 PolarHBondContact O-N 2.93Å; Y163-D166 PolarHBondContact O-N 3.02Å; Y163-K167 HydrophobicContact CE1-CG 4.1Å; Y163-K167 HydrophobicContact CE2-CG 4.16Å; Y163-K167 WeakPolarHBondContact O-CG 3.42Å; Y163-K167 PolarHBondContact O-N 3.3Å; Y163-K167 VanDerWaalsContact O-N 3.08Å
164	L	97.7	Very high	93.6	Very high	69 Å²	69	78.4 Å²	78.4	36%	0.361	40%	0.4	S	S	.	.	H	α-helix	trans	-67.1	-37.7	176.8	-69	174	0	0	0	112	L160 G161 Q162 K167 M168	L160-L164 HydrophobicContact CD1-CD1 4.27Å; L160-L164 HydrophobicContact CD1-CG 4.12Å; L160-L164 HydrophobicContact CG-CD1 4.13Å; L160-L164 HydrophobicContact CG-CG 4.4Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.34Å; L160-L164 PolarHBondContact O-N 3.29Å; G161-L164 PolarHBondContact O-N 2.98Å; G161-L164 VanDerWaalsContact O-N 3.13Å; Q162-L164 VanDerWaalsContact C-N 3.34Å; Q162-L164 PolarHBondContact O-N 3.46Å; L164-K167 PolarHBondContact O-N 3.46Å; L164-M168 HydrophobicContact CD2-CE 3.68Å; L164-M168 HydrophobicContact CD2-SD 4.12Å; L164-M168 VanDerWaalsContact O-CB 3.23Å; L164-M168 WeakPolarHBondContact O-CB 3.25Å; L164-M168 WeakPolarHBondContact O-CG 3.48Å; L164-M168 PolarHBondContact O-N 2.81Å
165	F	98.1	Very high	93.4	Very high	5 Å²	5	76.2 Å²	76.2	2%	0.022	39%	0.387	C	S	.	.	H	α-helix	trans	-60.2	-48.6	174.7	-179.2	-85.8	0	0	0	111.8	L94 M98 Y149 E152 T153 V156 G161 Q162 K167 T169 L170	L94-F165 HydrophobicContact CD1-CD1 3.86Å; M98-F165 HydrophobicContact CE-CE1 4.12Å; Y149-F165 HydrophobicContact CD1-CE2 4.05Å; Y149-F165 AromaticContact CD1-CZ 3.7Å; Y149-F165 HydrophobicContact CD1-CZ 3.7Å; Y149-F165 HydrophobicContact CD2-CZ 4.47Å; Y149-F165 HydrophobicContact CE1-CZ 4.29Å; Y149-F165 AromaticContact CG-CZ 3.8Å; Y149-F165 HydrophobicContact CG-CZ 3.8Å; E152-F165 HydrophobicContact CB-CD2 4.08Å; E152-F165 HydrophobicContact CB-CE2 3.71Å; E152-F165 WeakPolarHBondContact OE2-CE2 3.43Å; T153-F165 HydrophobicContact CG2-CD1 3.66Å; T153-F165 HydrophobicContact CG2-CD2 3.82Å; T153-F165 HydrophobicContact CG2-CE1 3.52Å; T153-F165 HydrophobicContact CG2-CE2 3.69Å; T153-F165 HydrophobicContact CG2-CG 3.81Å; T153-F165 HydrophobicContact CG2-CZ 3.55Å; V156-F165 HydrophobicContact CG2-CB 4.33Å; G161-F165 PolarHBondContact O-N 3.42Å; Q162-F165 PolarHBondContact O-N 3.3Å; F165-K167 VanDerWaalsContact C-N 3.31Å; F165-K167 PolarHBondContact O-N 3.1Å; F165-T169 HydrophobicContact CD2-CG2 4.06Å; F165-T169 HydrophobicContact CE2-CG2 3.57Å; F165-T169 HydrophobicContact CZ-CG2 3.93Å; F165-T169 WeakPolarHBondContact O-CA 3.33Å; F165-T169 VanDerWaalsContact O-CB 3.31Å; F165-T169 WeakPolarHBondContact O-CB 3.39Å; F165-T169 PolarHBondContact O-N 3.1Å; F165-L170 HydrophobicContact CD1-CD1 4.24Å; F165-L170 HydrophobicContact CD1-CG 4.09Å; F165-L170 HydrophobicContact CE1-CD1 3.86Å; F165-L170 HydrophobicContact CE1-CD2 3.71Å; F165-L170 HydrophobicContact CE1-CG 3.59Å; F165-L170 HydrophobicContact CZ-CD2 4.09Å; F165-L170 HydrophobicContact CZ-CG 4.35Å; F165-L170 PolarHBondContact O-N 3.29Å
166	D	98.1	Very high	93.1	Very high	1 Å²	1	70.2 Å²	70.2	1%	0.005	37%	0.37	C	S	.	.	H	α-helix	trans	-54.5	-48.6	173.7	175.7	80.5	0	0	0	110.5	F46 K48 A49 Q162 Y163	F46-D166 VanDerWaalsContact C-OD1 3.23Å; F46-D166 WeakPolarHBondContact CA-OD1 3.42Å; F46-D166 HydrophobicContact CD1-CB 3.74Å; F46-D166 HydrophobicContact CE1-CB 4.44Å; K48-D166 WeakPolarHBondContact CA-OD1 3.45Å; K48-D166 WeakPolarHBondContact CB-O 3.36Å; K48-D166 WeakPolarHBondContact CB-OD1 3.43Å; K48-D166 WeakPolarHBondContact CG-O 3.32Å; K48-D166 PolarHBondContact N-OD1 3.08Å; A49-D166 PolarHBondContact N-OD1 2.85Å; Q162-D166 PolarHBondContact O-N 2.99Å; Y163-D166 PolarHBondContact O-N 3.02Å
167	K	96.6	Very high	92.8	Very high	78 Å²	78	70.6 Å²	70.6	34%	0.339	37%	0.369	S	S	.	.	H	α-helix	trans	-74.8	-33.9	-174.9	-63.8	-54.8	174.7	-138.6	0	115.3	Y163 L164 F165	Y163-K167 HydrophobicContact CE1-CG 4.1Å; Y163-K167 HydrophobicContact CE2-CG 4.16Å; Y163-K167 WeakPolarHBondContact O-CG 3.42Å; Y163-K167 PolarHBondContact O-N 3.3Å; Y163-K167 VanDerWaalsContact O-N 3.08Å; L164-K167 PolarHBondContact O-N 3.46Å; F165-K167 VanDerWaalsContact C-N 3.31Å; F165-K167 PolarHBondContact O-N 3.1Å
168	M	95.8	Very high	92.6	Very high	146 Å²	146	73.6 Å²	73.6	72%	0.719	38%	0.376	S	S	*	.	H	α-helix	trans	-110.9	-27.5	-166.3	-60.1	-174.4	171.8	0	0	113.7	L164	L164-M168 HydrophobicContact CD2-CE 3.68Å; L164-M168 HydrophobicContact CD2-SD 4.12Å; L164-M168 VanDerWaalsContact O-CB 3.23Å; L164-M168 WeakPolarHBondContact O-CB 3.25Å; L164-M168 WeakPolarHBondContact O-CG 3.48Å; L164-M168 PolarHBondContact O-N 2.81Å
169	T	95.3	Very high	92.5	Very high	42 Å²	42	71.1 Å²	71.1	26%	0.258	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-49.3	-175.5	-57.5	0	0	0	0	111.9	Y149 E152 F165 K171	Y149-T169 HydrophobicContact CD1-CG2 4.17Å; Y149-T169 HydrophobicContact CE1-CG2 3.64Å; E152-T169 WeakPolarHBondContact OE2-CG2 3.29Å; F165-T169 HydrophobicContact CD2-CG2 4.06Å; F165-T169 HydrophobicContact CE2-CG2 3.57Å; F165-T169 HydrophobicContact CZ-CG2 3.93Å; F165-T169 WeakPolarHBondContact O-CA 3.33Å; F165-T169 VanDerWaalsContact O-CB 3.31Å; F165-T169 WeakPolarHBondContact O-CB 3.39Å; F165-T169 PolarHBondContact O-N 3.1Å; T169-K171 PolarHBondContact O-N 3.36Å
170	L	94.6	Very high	92.4	Very high	3 Å²	3	72.4 Å²	72.4	2%	0.016	35%	0.346	C	S	.	.	S	Bend	trans	-72.3	102.7	179	-62.2	-178.5	0	0	0	108.8	K48 A49 F52 M98 Y149 F165	K48-L170 HydrophobicContact CB-CB 3.95Å; A49-L170 HydrophobicContact CB-CD1 3.63Å; F52-L170 HydrophobicContact CD2-CD2 4.31Å; F52-L170 HydrophobicContact CG-CD2 4.24Å; M98-L170 HydrophobicContact CE-CD1 4.25Å; M98-L170 HydrophobicContact CE-CD2 4.24Å; Y149-L170 HydrophobicContact CD2-CD2 4.27Å; Y149-L170 HydrophobicContact CE2-CD2 3.81Å; F165-L170 HydrophobicContact CD1-CD1 4.24Å; F165-L170 HydrophobicContact CD1-CG 4.09Å; F165-L170 HydrophobicContact CE1-CD1 3.86Å; F165-L170 HydrophobicContact CE1-CD2 3.71Å; F165-L170 HydrophobicContact CE1-CG 3.59Å; F165-L170 HydrophobicContact CZ-CD2 4.09Å; F165-L170 HydrophobicContact CZ-CG 4.35Å; F165-L170 PolarHBondContact O-N 3.29Å
171	K	77	Confident	92	Very high	168 Å²	168	68.1 Å²	68.1	73%	0.73	32%	0.321	S	S	*	.			trans	-72.4	148.5	175.6	-64.9	178.8	-176.9	173.5	0	109	T169	T169-K171 PolarHBondContact O-N 3.36Å
172	E	57.6	Low	91.4	Very high	162 Å²	162	73.2 Å²	73.2	76%	0.757	34%	0.339	S	S	*	.			trans	-64.3	0	157	-76.1	168	-164.3	0	0	107.6	K48 K55	K48-E172 HydrophobicContact CD-CG 4.12Å; K48-E172 VanDerWaalsContact NZ-CG 3.34Å; K48-E172 IonicContact NZ-OE1 3.48Å; K48-E172 PolarHBondContact NZ-OE1 3.42Å; K55-E172 WeakPolarHBondContact CD-OXT 3.44Å; K55-E172 WeakPolarHBondContact CE-OXT 3.41Å; K55-E172 PolarHBondContact NZ-OXT 3.32Å

Retrieved 172 of 172 residues in 247.6 ms (Link to these results)

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