A0A093HTX0_STRCA Loading...

Myoglobin

Monomeric heme protein which primary function is to store oxygen and facilitate its diffusion within muscle tissues. Reversibly binds oxygen through a pentacoordinated heme iron and enables its timely and efficient release as needed during periods of heightened demand. Depending on the oxidative conditions of tissues and cells, and in addition to its ability to bind oxygen, it also has a nitrite reductase activity whereby it regulates the production of bioactive nitric oxide. Under stress conditions, like hypoxia and anoxia, it also protects cells against reactive oxygen species thanks to its pseudoperoxidase activity.

AlphaFold DB , UniProt , Accession A0A093HTX0, Species STRCA (Struthio camelus australis), Gene n/a, Length 154 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	55.9	Low	91.1	Very high	232 Å²	232	73 Å²	73	100%	1.143	40%	0.401	S	S	*	.				0	126.7	0	-82.4	169.9	174.9	0	0	107.4
2	G	79.6	Confident	91.6	Very high	69 Å²	69	71.3 Å²	71.3	71%	0.711	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-93.6	160.2	175.2	0	0	0	0	0	111.1
3	L	94	Very high	92	Very high	20 Å²	20	72.8 Å²	72.8	11%	0.105	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-80.7	145.8	170	-71.4	75.3	0	0	0	109.6	E7 W8 V11 A131 K134 A135 L138	L3-E7 HydrophobicContact CB-CB 4.06Å; L3-E7 HydrophobicContact CD2-CB 4.16Å; L3-E7 HydrophobicContact CG-CB 4.37Å; L3-W8 HydrophobicContact CB-CD2 4.17Å; L3-W8 HydrophobicContact CB-CG 4.25Å; L3-W8 HydrophobicContact CB-CZ2 4.14Å; L3-W8 HydrophobicContact CD1-CH2 4.36Å; L3-W8 HydrophobicContact CD1-CZ2 3.94Å; L3-W8 HydrophobicContact CD2-CD2 4.14Å; L3-W8 HydrophobicContact CD2-CE3 4.23Å; L3-W8 HydrophobicContact CD2-CH2 4.31Å; L3-W8 HydrophobicContact CD2-CZ2 4.22Å; L3-W8 HydrophobicContact CD2-CZ3 4.32Å; L3-W8 HydrophobicContact CG-CZ2 4.34Å; L3-V11 HydrophobicContact CD2-CG2 4.28Å; L3-A131 WeakPolarHBondContact CD2-O 3.44Å; L3-K134 HydrophobicContact CD1-CB 4.06Å; L3-K134 HydrophobicContact CD2-CB 4.25Å; L3-K134 HydrophobicContact CG-CB 3.97Å; L3-A135 HydrophobicContact CD2-CB 3.74Å; L3-L138 HydrophobicContact CD1-CB 4.38Å; L3-L138 HydrophobicContact CD1-CD2 4.07Å
4	S	96	Very high	92.4	Very high	56 Å²	56	67.8 Å²	67.8	39%	0.392	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-69.6	164.7	168.3	65.1	0	0	0	0	111.8	Q6 E7 W8	S4-Q6 VanDerWaalsContact C-N 3.26Å; S4-Q6 PolarHBondContact O-N 3.33Å; S4-E7 WeakPolarHBondContact CB-OE2 3.25Å; S4-E7 PolarHBondContact N-OE2 3.44Å; S4-E7 PolarHBondContact O-N 3.24Å; S4-E7 VanDerWaalsContact OG-CG 3.27Å; S4-E7 WeakPolarHBondContact OG-CG 3.3Å; S4-E7 PolarHBondContact OG-N 3.27Å; S4-E7 PolarHBondContact OG-OE2 3.32Å; S4-W8 VanDerWaalsContact O-CD1 3.25Å; S4-W8 PolarHBondContact O-N 2.88Å
5	D	95.1	Very high	92.8	Very high	117 Å²	117	63.3 Å²	63.3	63%	0.626	35%	0.351	S	S	*	.	H	α-helix	trans	-61.2	-35.3	175.8	-79.4	-35.2	0	0	0	112.9	W8 Q9 K80	D5-W8 PolarHBondContact O-N 3.48Å; D5-Q9 WeakPolarHBondContact O-CB 3.42Å; D5-Q9 PolarHBondContact O-N 3.15Å; D5-K80 WeakPolarHBondContact OD1-CE 3.44Å; D5-K80 IonicContact OD1-NZ 2.72Å; D5-K80 PolarHBondContact OD1-NZ 2.81Å
6	Q	96.1	Very high	93	Very high	113 Å²	113	61.7 Å²	61.7	53%	0.528	35%	0.353	S	S	.	.	H	α-helix	trans	-65.4	-44.3	176	-176.5	61	36	0	0	111.7	S4 W8 Q9 Q10	S4-Q6 VanDerWaalsContact C-N 3.26Å; S4-Q6 PolarHBondContact O-N 3.33Å; Q6-W8 VanDerWaalsContact C-N 3.35Å; Q6-Q9 WeakPolarHBondContact O-CB 3.49Å; Q6-Q9 PolarHBondContact O-N 2.93Å; Q6-Q10 WeakPolarHBondContact O-CG 3.5Å; Q6-Q10 PolarHBondContact O-N 3.44Å
7	E	97.2	Very high	93.2	Very high	34 Å²	34	62.1 Å²	62.1	16%	0.159	35%	0.349	C	S	.	.	H	α-helix	trans	-64.8	-41.1	176.8	-71.7	167.8	129.7	0	0	110.9	L3 S4 Q9 Q10 V11 A131 K134	L3-E7 HydrophobicContact CB-CB 4.06Å; L3-E7 HydrophobicContact CD2-CB 4.16Å; L3-E7 HydrophobicContact CG-CB 4.37Å; S4-E7 WeakPolarHBondContact CB-OE2 3.25Å; S4-E7 PolarHBondContact N-OE2 3.44Å; S4-E7 PolarHBondContact O-N 3.24Å; S4-E7 VanDerWaalsContact OG-CG 3.27Å; S4-E7 WeakPolarHBondContact OG-CG 3.3Å; S4-E7 PolarHBondContact OG-N 3.27Å; S4-E7 PolarHBondContact OG-OE2 3.32Å; E7-Q9 VanDerWaalsContact C-N 3.32Å; E7-Q9 PolarHBondContact O-N 3.07Å; E7-Q10 PolarHBondContact O-N 3.39Å; E7-V11 WeakPolarHBondContact O-CG2 3.3Å; E7-V11 PolarHBondContact O-N 3.2Å; E7-A131 HydrophobicContact CB-CB 3.91Å; E7-A131 HydrophobicContact CG-CB 4.17Å; E7-K134 VanDerWaalsContact OE1-CD 3.25Å; E7-K134 WeakPolarHBondContact OE1-CD 3.15Å; E7-K134 WeakPolarHBondContact OE1-CE 3.24Å; E7-K134 IonicContact OE1-NZ 3.3Å; E7-K134 PolarHBondContact OE1-NZ 3.16Å
8	W	97.3	Very high	93.4	Very high	9 Å²	9	58.6 Å²	58.6	3%	0.034	33%	0.33	C	S	.	.	H	α-helix	trans	-61.7	-40.1	172.9	-80.3	121.6	0	0	0	112.5	L3 S4 D5 Q6 V11 L12 L77 K80 G81 A135 L138	L3-W8 HydrophobicContact CB-CD2 4.17Å; L3-W8 HydrophobicContact CB-CG 4.25Å; L3-W8 HydrophobicContact CB-CZ2 4.14Å; L3-W8 HydrophobicContact CD1-CH2 4.36Å; L3-W8 HydrophobicContact CD1-CZ2 3.94Å; L3-W8 HydrophobicContact CD2-CD2 4.14Å; L3-W8 HydrophobicContact CD2-CE3 4.23Å; L3-W8 HydrophobicContact CD2-CH2 4.31Å; L3-W8 HydrophobicContact CD2-CZ2 4.22Å; L3-W8 HydrophobicContact CD2-CZ3 4.32Å; L3-W8 HydrophobicContact CG-CZ2 4.34Å; S4-W8 VanDerWaalsContact O-CD1 3.25Å; S4-W8 PolarHBondContact O-N 2.88Å; D5-W8 PolarHBondContact O-N 3.48Å; Q6-W8 VanDerWaalsContact C-N 3.35Å; W8-V11 HydrophobicContact CE3-CB 4.41Å; W8-V11 HydrophobicContact CE3-CG1 4.31Å; W8-V11 HydrophobicContact CZ3-CG1 4.35Å; W8-V11 PolarHBondContact O-N 3.43Å; W8-L12 WeakPolarHBondContact O-CB 3.33Å; W8-L12 VanDerWaalsContact O-CG 3.26Å; W8-L12 WeakPolarHBondContact O-CG 3.28Å; W8-L12 PolarHBondContact O-N 2.87Å; W8-L77 HydrophobicContact CZ3-CD2 4.28Å; W8-K80 HydrophobicContact CB-CD 4.25Å; W8-K80 HydrophobicContact CB-CG 4.15Å; W8-K80 HydrophobicContact CD2-CB 3.79Å; W8-K80 HydrophobicContact CD2-CG 3.95Å; W8-K80 HydrophobicContact CE3-CB 4.38Å; W8-K80 HydrophobicContact CE3-CG 4.29Å; W8-K80 HydrophobicContact CG-CB 3.9Å; W8-K80 HydrophobicContact CG-CD 4.33Å; W8-K80 HydrophobicContact CG-CG 3.87Å; W8-K80 HydrophobicContact CZ2-CB 4.41Å; W8-K80 PolarHBondContact NE1-O 2.81Å; W8-G81 VanDerWaalsContact CZ2-N 3.33Å; W8-A135 HydrophobicContact CH2-CB 4.21Å; W8-A135 HydrophobicContact CZ3-CB 4.02Å; W8-L138 HydrophobicContact CH2-CD2 4.39Å; W8-L138 HydrophobicContact CZ2-CD2 4.03Å
9	Q	96.8	Very high	93.5	Very high	114 Å²	114	59.2 Å²	59.2	53%	0.533	33%	0.329	S	S	.	.	H	α-helix	trans	-60.7	-46.3	175.9	-175.6	175.3	-5.3	0	0	110.9	D5 Q6 E7 V11 L12 T13	D5-Q9 WeakPolarHBondContact O-CB 3.42Å; D5-Q9 PolarHBondContact O-N 3.15Å; Q6-Q9 WeakPolarHBondContact O-CB 3.49Å; Q6-Q9 PolarHBondContact O-N 2.93Å; E7-Q9 VanDerWaalsContact C-N 3.32Å; E7-Q9 PolarHBondContact O-N 3.07Å; Q9-V11 VanDerWaalsContact C-N 3.33Å; Q9-V11 PolarHBondContact O-N 3.4Å; Q9-L12 PolarHBondContact O-N 3.02Å; Q9-T13 WeakPolarHBondContact O-CB 3.31Å; Q9-T13 PolarHBondContact O-N 3.23Å; Q9-T13 PolarHBondContact O-OG1 3.14Å
10	Q	96.6	Very high	93.6	Very high	39 Å²	39	61.3 Å²	61.3	18%	0.182	35%	0.348	C	S	.	.	H	α-helix	trans	-57.5	-45.8	175.9	-70.1	171.4	-40.8	0	0	112	Q6 E7 T13 I14 A131	Q6-Q10 WeakPolarHBondContact O-CG 3.5Å; Q6-Q10 PolarHBondContact O-N 3.44Å; E7-Q10 PolarHBondContact O-N 3.39Å; Q10-T13 PolarHBondContact O-N 3.19Å; Q10-I14 WeakPolarHBondContact O-CG2 3.25Å; Q10-I14 PolarHBondContact O-N 3.22Å; Q10-I14 VanDerWaalsContact O-N 3.16Å; Q10-A131 HydrophobicContact CB-CB 4.19Å
11	V	97.5	Very high	93.8	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-59.8	-48.3	176.9	169.1	0	0	0	0	111.5	L3 E7 W8 Q9 I14 W15 L77 A131 M132 A135	L3-V11 HydrophobicContact CD2-CG2 4.28Å; E7-V11 WeakPolarHBondContact O-CG2 3.3Å; E7-V11 PolarHBondContact O-N 3.2Å; W8-V11 HydrophobicContact CE3-CB 4.41Å; W8-V11 HydrophobicContact CE3-CG1 4.31Å; W8-V11 HydrophobicContact CZ3-CG1 4.35Å; W8-V11 PolarHBondContact O-N 3.43Å; Q9-V11 VanDerWaalsContact C-N 3.33Å; Q9-V11 PolarHBondContact O-N 3.4Å; V11-I14 WeakPolarHBondContact O-CG2 3.35Å; V11-W15 WeakPolarHBondContact O-CB 3.49Å; V11-W15 PolarHBondContact O-N 3.29Å; V11-L77 HydrophobicContact CG1-CD1 4.35Å; V11-L77 HydrophobicContact CG1-CD2 4.12Å; V11-A131 HydrophobicContact CG2-CB 3.94Å; V11-M132 HydrophobicContact CB-CE 4.43Å; V11-M132 HydrophobicContact CG1-CE 3.85Å; V11-M132 HydrophobicContact CG1-SD 4.22Å; V11-A135 HydrophobicContact CG1-CB 4.27Å; V11-A135 HydrophobicContact CG2-CB 4.05Å
12	L	97.5	Very high	95.7	Very high	53 Å²	53	52.5 Å²	52.5	28%	0.277	31%	0.305	S	S	.	.	H	α-helix	trans	-72.6	-33.4	-176.8	-65.3	177.4	0	0	0	112.5	W8 Q9 W15 G16 L77 K78 K80	W8-L12 WeakPolarHBondContact O-CB 3.33Å; W8-L12 VanDerWaalsContact O-CG 3.26Å; W8-L12 WeakPolarHBondContact O-CG 3.28Å; W8-L12 PolarHBondContact O-N 2.87Å; Q9-L12 PolarHBondContact O-N 3.02Å; L12-W15 PolarHBondContact O-N 3.3Å; L12-G16 PolarHBondContact O-N 3.07Å; L12-L77 HydrophobicContact CD2-CB 4.43Å; L12-K78 HydrophobicContact CD2-CG 3.94Å; L12-K80 HydrophobicContact CD1-CD 4.4Å; L12-K80 HydrophobicContact CD1-CG 4.25Å
13	T	96.9	Very high	96.5	Very high	90 Å²	90	50.4 Å²	50.4	55%	0.552	28%	0.281	S	S	*	.	H	α-helix	trans	-61.9	-50.2	174.5	-67.1	0	0	0	0	111	Q9 Q10 W15 G16	Q9-T13 WeakPolarHBondContact O-CB 3.31Å; Q9-T13 PolarHBondContact O-N 3.23Å; Q9-T13 PolarHBondContact O-OG1 3.14Å; Q10-T13 PolarHBondContact O-N 3.19Å; T13-W15 VanDerWaalsContact C-N 3.31Å; T13-W15 PolarHBondContact O-N 3.18Å; T13-G16 PolarHBondContact O-N 2.84Å
14	I	97.4	Very high	96.5	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.015	29%	0.285	C	S	.	.	H	α-helix	trans	-67.9	-36.1	177.6	-169.3	62.4	0	0	0	111.4	Q10 V11 G16 K17 V18 I116 H120 D123 F124 M132	Q10-I14 WeakPolarHBondContact O-CG2 3.25Å; Q10-I14 PolarHBondContact O-N 3.22Å; Q10-I14 VanDerWaalsContact O-N 3.16Å; V11-I14 WeakPolarHBondContact O-CG2 3.35Å; I14-G16 VanDerWaalsContact C-N 3.28Å; I14-G16 PolarHBondContact O-N 2.86Å; I14-K17 HydrophobicContact CD1-CD 4.27Å; I14-K17 WeakPolarHBondContact O-CB 3.35Å; I14-K17 PolarHBondContact O-N 2.87Å; I14-V18 PolarHBondContact O-N 3.04Å; I14-I116 HydrophobicContact CD1-CG2 3.85Å; I14-I116 HydrophobicContact CG1-CG2 3.37Å; I14-H120 HydrophobicContact CD1-CB 3.65Å; I14-D123 HydrophobicContact CD1-CB 4.29Å; I14-F124 HydrophobicContact CB-CD2 4.11Å; I14-F124 HydrophobicContact CB-CE2 4.49Å; I14-F124 HydrophobicContact CD1-CB 4.01Å; I14-F124 HydrophobicContact CD1-CD2 4.24Å; I14-F124 HydrophobicContact CD1-CG 4.37Å; I14-F124 HydrophobicContact CG1-CB 4.32Å; I14-F124 HydrophobicContact CG1-CD2 3.63Å; I14-F124 HydrophobicContact CG1-CE2 4.17Å; I14-F124 HydrophobicContact CG1-CG 4.14Å; I14-F124 HydrophobicContact CG2-CD2 4.08Å; I14-F124 HydrophobicContact CG2-CE2 3.95Å; I14-M132 HydrophobicContact CG2-CE 3.6Å
15	W	97.6	Very high	96.6	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-62.8	-34.3	177.4	-162.3	-96.5	0	0	0	112.8	V11 L12 T13 K17 V18 E19 L70 L73 L77 I116 M132	V11-W15 WeakPolarHBondContact O-CB 3.49Å; V11-W15 PolarHBondContact O-N 3.29Å; L12-W15 PolarHBondContact O-N 3.3Å; T13-W15 VanDerWaalsContact C-N 3.31Å; T13-W15 PolarHBondContact O-N 3.18Å; W15-K17 PolarHBondContact O-N 3.48Å; W15-V18 HydrophobicContact CD2-CB 4.4Å; W15-V18 HydrophobicContact CE3-CB 4.39Å; W15-V18 HydrophobicContact CE3-CG2 4.3Å; W15-V18 HydrophobicContact CH2-CG1 4.4Å; W15-V18 HydrophobicContact CZ2-CG1 4.46Å; W15-V18 HydrophobicContact CZ3-CG1 4.42Å; W15-V18 WeakPolarHBondContact O-CA 3.41Å; W15-V18 WeakPolarHBondContact O-CB 3.35Å; W15-V18 PolarHBondContact O-N 2.89Å; W15-E19 PolarHBondContact O-N 2.98Å; W15-L70 HydrophobicContact CH2-CD2 4.03Å; W15-L70 HydrophobicContact CZ2-CB 4.36Å; W15-L70 WeakPolarHBondContact CZ2-O 3.26Å; W15-L73 HydrophobicContact CH2-CB 4.25Å; W15-L73 HydrophobicContact CH2-CD2 3.72Å; W15-L73 HydrophobicContact CH2-CG 3.88Å; W15-L73 HydrophobicContact CZ2-CB 4.32Å; W15-L73 HydrophobicContact CZ2-CG 4.3Å; W15-L73 HydrophobicContact CZ3-CD2 4.28Å; W15-L77 HydrophobicContact CD2-CD1 3.59Å; W15-L77 HydrophobicContact CE3-CD1 3.47Å; W15-L77 VanDerWaalsContact CE3-CD1 3.47Å; W15-L77 HydrophobicContact CG-CD1 4.2Å; W15-L77 HydrophobicContact CH2-CD1 4.11Å; W15-L77 HydrophobicContact CZ2-CD1 4.23Å; W15-L77 HydrophobicContact CZ3-CD1 3.74Å; W15-I116 HydrophobicContact CZ3-CD1 4.46Å; W15-M132 HydrophobicContact CE3-CE 4.07Å
16	G	97.1	Very high	96.6	Very high	37 Å²	37	42.4 Å²	42.4	38%	0.381	24%	0.239	S	C	.	.	H	α-helix	trans	-57.7	-32.9	172.3	0	0	0	0	0	113.2	L12 T13 I14 E19 S20	L12-G16 PolarHBondContact O-N 3.07Å; T13-G16 PolarHBondContact O-N 2.84Å; I14-G16 VanDerWaalsContact C-N 3.28Å; I14-G16 PolarHBondContact O-N 2.86Å; G16-E19 PolarHBondContact O-N 3.1Å; G16-S20 PolarHBondContact O-N 3.02Å
17	K	96	Very high	96.6	Very high	68 Å²	68	38.1 Å²	38.1	30%	0.296	22%	0.219	S	C	.	.	H	α-helix	trans	-76.2	-26.9	173.2	-54.4	-163.4	179.1	-143.4	0	113.4	I14 W15 S20 H25 D123	I14-K17 HydrophobicContact CD1-CD 4.27Å; I14-K17 WeakPolarHBondContact O-CB 3.35Å; I14-K17 PolarHBondContact O-N 2.87Å; W15-K17 PolarHBondContact O-N 3.48Å; K17-S20 PolarHBondContact O-OG 3.34Å; K17-H25 PolarHBondContact O-CE1 3.07Å; K17-D123 HydrophobicContact CD-CB 4.29Å; K17-D123 VanDerWaalsContact CE-CG 3.45Å; K17-D123 WeakPolarHBondContact CE-OD1 3.43Å; K17-D123 IonicContact NZ-OD1 2.72Å; K17-D123 PolarHBondContact NZ-OD1 3.41Å; K17-D123 IonicContact NZ-OD2 2.72Å; K17-D123 PolarHBondContact NZ-OD2 2.94Å
18	V	96.7	Very high	96.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-69.4	-42.7	170.9	177.3	0	0	0	0	109.7	I14 W15 S20 D21 I22 H25 L70 I116	I14-V18 PolarHBondContact O-N 3.04Å; W15-V18 HydrophobicContact CD2-CB 4.4Å; W15-V18 HydrophobicContact CE3-CB 4.39Å; W15-V18 HydrophobicContact CE3-CG2 4.3Å; W15-V18 HydrophobicContact CH2-CG1 4.4Å; W15-V18 HydrophobicContact CZ2-CG1 4.46Å; W15-V18 HydrophobicContact CZ3-CG1 4.42Å; W15-V18 WeakPolarHBondContact O-CA 3.41Å; W15-V18 WeakPolarHBondContact O-CB 3.35Å; W15-V18 PolarHBondContact O-N 2.89Å; V18-S20 VanDerWaalsContact C-N 3.33Å; V18-S20 PolarHBondContact O-N 3.47Å; V18-D21 CarbonylContact O-C 3.58Å; V18-D21 PolarHBondContact O-N 3.34Å; V18-I22 VanDerWaalsContact O-CA 3.29Å; V18-I22 WeakPolarHBondContact O-CA 3.41Å; V18-I22 PolarHBondContact O-N 2.65Å; V18-H25 HydrophobicContact CG1-CB 3.88Å; V18-H25 PolarHBondContact O-ND1 3.36Å; V18-L70 HydrophobicContact CG1-CD1 3.89Å; V18-I116 HydrophobicContact CG2-CD1 3.77Å; V18-I116 HydrophobicContact CG2-CG1 3.84Å
19	E	95.4	Very high	96.5	Very high	69 Å²	69	37.4 Å²	37.4	32%	0.322	22%	0.22	S	C	.	.	H	α-helix	trans	-66.7	-30	-179.1	-70.6	-172.1	142.6	0	0	113.5	W15 G16 D21 I22 K78	W15-E19 PolarHBondContact O-N 2.98Å; G16-E19 PolarHBondContact O-N 3.1Å; E19-D21 PolarHBondContact O-N 2.93Å; E19-I22 PolarHBondContact O-N 3.06Å; E19-K78 WeakPolarHBondContact OE1-CE 3.37Å; E19-K78 IonicContact OE1-NZ 2.63Å; E19-K78 PolarHBondContact OE1-NZ 3.11Å; E19-K78 WeakPolarHBondContact OE2-CE 3.43Å; E19-K78 IonicContact OE2-NZ 2.65Å; E19-K78 PolarHBondContact OE2-NZ 3.3Å
20	S	96.2	Very high	96.5	Very high	101 Å²	101	32.1 Å²	32.1	71%	0.706	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.3	177.2	66.8	0	0	0	0	113.8	G16 K17 V18	G16-S20 PolarHBondContact O-N 3.02Å; K17-S20 PolarHBondContact O-OG 3.34Å; V18-S20 VanDerWaalsContact C-N 3.33Å; V18-S20 PolarHBondContact O-N 3.47Å
21	D	95.8	Very high	96.4	Very high	72 Å²	72	32 Å²	32	39%	0.385	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.6	56.2	170.3	178.1	28.2	0	0	0	110.4	V18 E19 A23 G24 H25	V18-D21 CarbonylContact O-C 3.58Å; V18-D21 PolarHBondContact O-N 3.34Å; E19-D21 PolarHBondContact O-N 2.93Å; D21-A23 PolarHBondContact O-N 3.31Å; D21-A23 VanDerWaalsContact O-N 3.16Å; D21-G24 PolarHBondContact O-N 3.48Å; D21-G24 WeakPolarHBondContact OD1-CA 3.4Å; D21-G24 PolarHBondContact OD1-N 3.36Å; D21-G24 WeakPolarHBondContact OD2-CA 3.26Å; D21-H25 PolarHBondContact O-N 2.96Å; D21-H25 PolarHBondContact O-ND1 2.89Å
22	I	96.4	Very high	96.3	Very high	37 Å²	37	35.5 Å²	35.5	19%	0.19	21%	0.209	C	C	.	.	H	α-helix	trans	-59.5	-32	-174.8	-166.9	162.8	0	0	0	112.7	V18 E19 G26 V67 L70 T71	V18-I22 VanDerWaalsContact O-CA 3.29Å; V18-I22 WeakPolarHBondContact O-CA 3.41Å; V18-I22 PolarHBondContact O-N 2.65Å; E19-I22 PolarHBondContact O-N 3.06Å; I22-G26 PolarHBondContact O-N 3.12Å; I22-V67 HydrophobicContact CG2-CG1 4.16Å; I22-V67 HydrophobicContact CG2-CG2 4.32Å; I22-L70 HydrophobicContact CD1-CB 3.99Å; I22-L70 HydrophobicContact CG1-CB 3.78Å; I22-L70 HydrophobicContact CG1-CD1 4.24Å; I22-T71 WeakPolarHBondContact CD1-OG1 3.5Å
23	A	95.9	Very high	96.2	Very high	25 Å²	25	33.3 Å²	33.3	21%	0.207	20%	0.197	C	C	.	.	H	α-helix	trans	-71.4	-44.8	178.8	0	0	0	0	0	111.8	D21 H27 K63 V67	D21-A23 PolarHBondContact O-N 3.31Å; D21-A23 VanDerWaalsContact O-N 3.16Å; A23-H27 VanDerWaalsContact O-CB 3.25Å; A23-H27 WeakPolarHBondContact O-CB 3.44Å; A23-H27 PolarHBondContact O-N 3.1Å; A23-K63 HydrophobicContact CB-CD 4.5Å; A23-K63 HydrophobicContact CB-CG 4.15Å; A23-V67 HydrophobicContact CB-CG2 3.7Å
24	G	95.4	Very high	96.1	Very high	20 Å²	20	29.2 Å²	29.2	21%	0.206	17%	0.172	C	C	.	.	H	α-helix	trans	-67.5	-38.9	176.9	0	0	0	0	0	112.9	D21 A28	D21-G24 PolarHBondContact O-N 3.48Å; D21-G24 WeakPolarHBondContact OD1-CA 3.4Å; D21-G24 PolarHBondContact OD1-N 3.36Å; D21-G24 WeakPolarHBondContact OD2-CA 3.26Å; G24-A28 VanDerWaalsContact O-CB 3.31Å; G24-A28 WeakPolarHBondContact O-CB 3.29Å; G24-A28 PolarHBondContact O-N 3.34Å; G24-A28 VanDerWaalsContact O-N 3.12Å
25	H	97.3	Very high	95.8	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.019	19%	0.191	C	C	.	.	H	α-helix	trans	-67.3	-48.3	174.4	-69.3	89.1	0	0	0	111.9	K17 V18 D21 H27 A28 I29 L70 K119 H120	K17-H25 PolarHBondContact O-CE1 3.07Å; V18-H25 HydrophobicContact CG1-CB 3.88Å; V18-H25 PolarHBondContact O-ND1 3.36Å; D21-H25 PolarHBondContact O-N 2.96Å; D21-H25 PolarHBondContact O-ND1 2.89Å; H25-H27 VanDerWaalsContact C-N 3.29Å; H25-H27 PolarHBondContact O-N 2.8Å; H25-A28 PolarHBondContact O-N 3.03Å; H25-I29 HydrophobicContact CB-CD1 4.47Å; H25-I29 WeakPolarHBondContact O-CB 2.9Å; H25-I29 WeakPolarHBondContact O-CD1 3.31Å; H25-I29 VanDerWaalsContact O-CG1 3.29Å; H25-I29 WeakPolarHBondContact O-CG1 3.31Å; H25-I29 PolarHBondContact O-N 3.23Å; H25-L70 HydrophobicContact CB-CD1 3.7Å; H25-K119 VanDerWaalsContact CD2-CD 3.47Å; H25-K119 WeakPolarHBondContact CD2-CD 3.36Å; H25-K119 WeakPolarHBondContact NE2-CD 3.45Å; H25-H120 AromaticContact CE1-NE2 3.44Å; H25-H120 PolarHBondContact CE1-NE2 3.37Å; H25-H120 AromaticContact NE2-CD2 3.63Å; H25-H120 AromaticContact NE2-CE1 3.88Å; H25-H120 AromaticContact NE2-NE2 2.85Å; H25-H120 PolarHBondContact NE2-NE2 3.25Å
26	G	95.8	Very high	95.6	Very high	2 Å²	2	36 Å²	36	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-62.1	-40.1	-177	0	0	0	0	0	111.9	I22 L30	I22-G26 PolarHBondContact O-N 3.12Å; G26-L30 WeakPolarHBondContact O-CG 3.29Å; G26-L30 PolarHBondContact O-N 3.14Å; G26-L30 VanDerWaalsContact O-N 3.12Å
27	H	95.9	Very high	95.5	Very high	23 Å²	23	35.5 Å²	35.5	11%	0.106	19%	0.193	C	C	.	.	H	α-helix	trans	-65.3	-48.6	175.2	-169.8	-171.4	0	0	0	112.2	A23 H25 I29 L30 M31 M56 K57 K63	A23-H27 VanDerWaalsContact O-CB 3.25Å; A23-H27 WeakPolarHBondContact O-CB 3.44Å; A23-H27 PolarHBondContact O-N 3.1Å; H25-H27 VanDerWaalsContact C-N 3.29Å; H25-H27 PolarHBondContact O-N 2.8Å; H27-I29 VanDerWaalsContact C-N 3.34Å; H27-I29 PolarHBondContact O-N 3.3Å; H27-L30 PolarHBondContact O-N 2.65Å; H27-M31 PolarHBondContact NE2-SD 3.47Å; H27-M31 VanDerWaalsContact NE2-SD 3.44Å; H27-M31 WeakPolarHBondContact O-CB 3.5Å; H27-M31 VanDerWaalsContact O-CG 3.31Å; H27-M31 WeakPolarHBondContact O-CG 3.32Å; H27-M31 PolarHBondContact O-N 3.1Å; H27-M56 PolarHBondContact NE2-O 2.86Å; H27-K57 PolarHBondContact CE1-O 3.14Å; H27-K57 VanDerWaalsContact CE1-O 3.23Å; H27-K63 HydrophobicContact CB-CB 4.22Å; H27-K63 HydrophobicContact CB-CG 4.19Å
28	A	95.9	Very high	95.3	Very high	26 Å²	26	36 Å²	36	22%	0.215	20%	0.203	C	C	.	.	H	α-helix	trans	-61	-41.3	178.9	0	0	0	0	0	112.4	G24 H25 R32 V115	G24-A28 VanDerWaalsContact O-CB 3.31Å; G24-A28 WeakPolarHBondContact O-CB 3.29Å; G24-A28 PolarHBondContact O-N 3.34Å; G24-A28 VanDerWaalsContact O-N 3.12Å; H25-A28 PolarHBondContact O-N 3.03Å; A28-R32 VanDerWaalsContact O-CB 3.29Å; A28-R32 WeakPolarHBondContact O-CB 3.49Å; A28-R32 PolarHBondContact O-N 3.15Å; A28-V115 HydrophobicContact CB-CG1 4.02Å
29	I	96.9	Very high	95	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-64.2	-47.9	178.6	-73.5	162.1	0	0	0	111.1	H25 H27 R32 L33 L70 I108 V111 I112 V115	H25-I29 HydrophobicContact CB-CD1 4.47Å; H25-I29 WeakPolarHBondContact O-CB 2.9Å; H25-I29 WeakPolarHBondContact O-CD1 3.31Å; H25-I29 VanDerWaalsContact O-CG1 3.29Å; H25-I29 WeakPolarHBondContact O-CG1 3.31Å; H25-I29 PolarHBondContact O-N 3.23Å; H27-I29 VanDerWaalsContact C-N 3.34Å; H27-I29 PolarHBondContact O-N 3.3Å; I29-R32 PolarHBondContact O-N 3.45Å; I29-L33 WeakPolarHBondContact O-CB 3.02Å; I29-L33 PolarHBondContact O-N 3.21Å; I29-L70 HydrophobicContact CD1-CD1 4.09Å; I29-L70 HydrophobicContact CD1-CD2 3.89Å; I29-I108 HydrophobicContact CG2-CG1 4.13Å; I29-V111 HydrophobicContact CB-CG1 4.49Å; I29-V111 HydrophobicContact CG2-CG1 4.14Å; I29-V111 WeakPolarHBondContact O-CG1 3.44Å; I29-I112 HydrophobicContact CD1-CG1 4.02Å; I29-I112 HydrophobicContact CG1-CG1 4.47Å; I29-I112 HydrophobicContact CG2-CG1 3.91Å; I29-V115 HydrophobicContact CD1-CG1 4.47Å; I29-V115 HydrophobicContact CG1-CB 3.79Å; I29-V115 HydrophobicContact CG1-CG1 3.85Å; I29-V115 HydrophobicContact CG1-CG2 3.96Å
30	L	95.7	Very high	94.9	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-68.2	-39.6	179.6	-69.1	179.3	0	0	0	112.4	G26 H27 R32 L33 F34 L62 H65 G66 I108	G26-L30 WeakPolarHBondContact O-CG 3.29Å; G26-L30 PolarHBondContact O-N 3.14Å; G26-L30 VanDerWaalsContact O-N 3.12Å; H27-L30 PolarHBondContact O-N 2.65Å; L30-R32 VanDerWaalsContact C-N 3.34Å; L30-R32 PolarHBondContact O-N 2.91Å; L30-L33 HydrophobicContact CD2-CD2 4.43Å; L30-L33 PolarHBondContact O-N 3.2Å; L30-F34 HydrophobicContact CB-CE2 4.49Å; L30-F34 WeakPolarHBondContact O-CD2 3.5Å; L30-F34 VanDerWaalsContact O-CG 3.29Å; L30-F34 WeakPolarHBondContact O-CG 3.25Å; L30-F34 PolarHBondContact O-N 3.5Å; L30-L62 HydrophobicContact CB-CD1 3.85Å; L30-L62 HydrophobicContact CB-CG 4.29Å; L30-L62 HydrophobicContact CD1-CD1 3.76Å; L30-L62 HydrophobicContact CD1-CG 4.44Å; L30-L62 HydrophobicContact CG-CD1 4.46Å; L30-H65 HydrophobicContact CD1-CB 4.3Å; L30-G66 VanDerWaalsContact CD1-CA 3.47Å; L30-I108 HydrophobicContact CD2-CD1 4.47Å
31	M	94.8	Very high	94.7	Very high	37 Å²	37	32.5 Å²	32.5	18%	0.182	18%	0.176	C	C	.	.	H	α-helix	trans	-58.7	-47.4	173.3	-75.6	-173.6	0.8	0	0	111.4	H27 L33 F34 Q35 M56 K57 L62	H27-M31 PolarHBondContact NE2-SD 3.47Å; H27-M31 VanDerWaalsContact NE2-SD 3.44Å; H27-M31 WeakPolarHBondContact O-CB 3.5Å; H27-M31 VanDerWaalsContact O-CG 3.31Å; H27-M31 WeakPolarHBondContact O-CG 3.32Å; H27-M31 PolarHBondContact O-N 3.1Å; M31-L33 VanDerWaalsContact C-N 3.32Å; M31-L33 PolarHBondContact O-N 2.94Å; M31-F34 PolarHBondContact O-N 3.47Å; M31-Q35 VanDerWaalsContact O-CG 3.3Å; M31-Q35 WeakPolarHBondContact O-CG 3.39Å; M31-Q35 PolarHBondContact O-N 2.91Å; M31-M56 HydrophobicContact CG-CB 3.9Å; M31-M56 HydrophobicContact SD-CB 4.32Å; M31-K57 HydrophobicContact SD-CB 4.04Å; M31-L62 HydrophobicContact CG-CD2 3.88Å
32	R	95.4	Very high	94.3	Very high	73 Å²	73	34 Å²	34	28%	0.275	19%	0.185	S	C	.	.	H	α-helix	trans	-66.6	-36.2	-179.5	-173.4	62.6	177.8	-99.6	4.5	111.7	A28 I29 L30 Q35 D36 V111 V115 E118	A28-R32 VanDerWaalsContact O-CB 3.29Å; A28-R32 WeakPolarHBondContact O-CB 3.49Å; A28-R32 PolarHBondContact O-N 3.15Å; I29-R32 PolarHBondContact O-N 3.45Å; L30-R32 VanDerWaalsContact C-N 3.34Å; L30-R32 PolarHBondContact O-N 2.91Å; R32-Q35 PolarHBondContact O-N 3.46Å; R32-D36 WeakPolarHBondContact CD-OD1 3.41Å; R32-D36 IonicContact CZ-OD1 3.93Å; R32-D36 IonicContact CZ-OD2 3.93Å; R32-D36 VanDerWaalsContact NE-CG 3.34Å; R32-D36 IonicContact NE-OD1 3.71Å; R32-D36 PolarHBondContact NE-OD1 3.45Å; R32-D36 IonicContact NE-OD2 3.88Å; R32-D36 PolarHBondContact NE-OD2 3.46Å; R32-D36 IonicContact NH2-OD1 2.84Å; R32-D36 IonicContact NH2-OD2 3.18Å; R32-D36 WeakPolarHBondContact O-CB 3.29Å; R32-D36 PolarHBondContact O-N 3Å; R32-V111 HydrophobicContact CB-CG1 3.64Å; R32-V111 HydrophobicContact CG-CG1 3.76Å; R32-V111 HydrophobicContact CG-CG2 4.38Å; R32-V115 HydrophobicContact CB-CG2 4.29Å; R32-V115 HydrophobicContact CG-CG2 4.48Å; R32-E118 IonicContact NH1-OE1 3.82Å; R32-E118 PolarHBondContact NH1-OE1 3.46Å; R32-E118 VanDerWaalsContact NH1-OE1 3.07Å; R32-E118 IonicContact NH1-OE2 3.07Å
33	L	95.9	Very high	93.9	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.037	20%	0.195	C	C	.	.	H	α-helix	trans	-59.3	-46.8	173.8	179.4	64.8	0	0	0	111.7	I29 L30 M31 Q35 H37 T40 F107 I108 V111	I29-L33 WeakPolarHBondContact O-CB 3.02Å; I29-L33 PolarHBondContact O-N 3.21Å; L30-L33 HydrophobicContact CD2-CD2 4.43Å; L30-L33 PolarHBondContact O-N 3.2Å; M31-L33 VanDerWaalsContact C-N 3.32Å; M31-L33 PolarHBondContact O-N 2.94Å; L33-Q35 VanDerWaalsContact C-N 3.32Å; L33-Q35 PolarHBondContact O-N 3.31Å; L33-H37 CarbonylContact O-C 3.45Å; L33-H37 WeakPolarHBondContact O-CA 2.93Å; L33-H37 WeakPolarHBondContact O-CB 3.28Å; L33-H37 PolarHBondContact O-N 3.43Å; L33-T40 HydrophobicContact CD1-CG2 4.12Å; L33-T40 HydrophobicContact CG-CG2 4.39Å; L33-F107 HydrophobicContact CD1-CB 3.79Å; L33-I108 HydrophobicContact CD1-CB 4.22Å; L33-I108 HydrophobicContact CD2-CB 4.12Å; L33-I108 HydrophobicContact CD2-CD1 4.14Å; L33-I108 HydrophobicContact CD2-CG1 4.15Å; L33-V111 HydrophobicContact CD1-CG2 4.43Å
34	F	94	Very high	93.6	Very high	5 Å²	5	38.7 Å²	38.7	2%	0.022	20%	0.196	C	C	.	.	H	α-helix	trans	-72.8	-25.2	-179.6	-58.3	-28.9	0	0	0	113.4	L30 M31 P38 T40 L41 F44 F47 M56 L62	L30-F34 HydrophobicContact CB-CE2 4.49Å; L30-F34 WeakPolarHBondContact O-CD2 3.5Å; L30-F34 VanDerWaalsContact O-CG 3.29Å; L30-F34 WeakPolarHBondContact O-CG 3.25Å; L30-F34 PolarHBondContact O-N 3.5Å; M31-F34 PolarHBondContact O-N 3.47Å; F34-P38 VanDerWaalsContact O-CA 3.3Å; F34-P38 WeakPolarHBondContact O-CA 3.49Å; F34-T40 WeakPolarHBondContact CD1-OG1 3.49Å; F34-L41 HydrophobicContact CD1-CB 4.02Å; F34-L41 HydrophobicContact CD1-CD1 4.06Å; F34-L41 HydrophobicContact CD2-CD1 3.64Å; F34-L41 HydrophobicContact CE1-CB 4.43Å; F34-L41 HydrophobicContact CE1-CD1 4.09Å; F34-L41 HydrophobicContact CE2-CD1 3.61Å; F34-L41 HydrophobicContact CG-CB 4.27Å; F34-L41 HydrophobicContact CG-CD1 3.86Å; F34-L41 HydrophobicContact CZ-CD1 3.87Å; F34-F44 AromaticContact CE1-CD2 3.6Å; F34-F44 HydrophobicContact CE1-CD2 3.6Å; F34-F44 AromaticContact CE1-CE2 3.65Å; F34-F44 HydrophobicContact CE1-CE2 3.65Å; F34-F44 HydrophobicContact CE1-CG 4.46Å; F34-F44 AromaticContact CZ-CD2 3.64Å; F34-F44 HydrophobicContact CZ-CD2 3.64Å; F34-F44 AromaticContact CZ-CE2 3.89Å; F34-F44 HydrophobicContact CZ-CE2 3.89Å; F34-F44 HydrophobicContact CZ-CG 4.06Å; F34-F44 HydrophobicContact CZ-CZ 4.49Å; F34-F47 HydrophobicContact CE2-CD2 4.42Å; F34-F47 HydrophobicContact CZ-CD2 4.4Å; F34-M56 HydrophobicContact CB-CE 3.67Å; F34-M56 HydrophobicContact CB-SD 3.96Å; F34-M56 HydrophobicContact CD2-CE 4.19Å; F34-M56 HydrophobicContact CD2-SD 4.14Å; F34-M56 HydrophobicContact CG-CE 4.38Å; F34-L62 HydrophobicContact CD2-CD1 4.41Å; F34-L62 HydrophobicContact CE2-CD1 3.57Å; F34-L62 HydrophobicContact CZ-CD1 4.35Å
35	Q	91.7	Very high	93.2	Very high	90 Å²	90	45.5 Å²	45.5	42%	0.421	22%	0.222	S	C	.	.	H	α-helix	trans	-78.3	-46.9	174.4	-71.2	173.2	24.7	0	0	112.2	M31 R32 L33	M31-Q35 VanDerWaalsContact O-CG 3.3Å; M31-Q35 WeakPolarHBondContact O-CG 3.39Å; M31-Q35 PolarHBondContact O-N 2.91Å; R32-Q35 PolarHBondContact O-N 3.46Å; L33-Q35 VanDerWaalsContact C-N 3.32Å; L33-Q35 PolarHBondContact O-N 3.31Å
36	D	93.7	Very high	92.8	Very high	55 Å²	55	51.5 Å²	51.5	29%	0.294	25%	0.248	S	C	.	.	H	α-helix	trans	-73.8	-31.3	-179.4	-74.1	10.3	0	0	0	111.2	R32 K114	R32-D36 WeakPolarHBondContact CD-OD1 3.41Å; R32-D36 IonicContact CZ-OD1 3.93Å; R32-D36 IonicContact CZ-OD2 3.93Å; R32-D36 VanDerWaalsContact NE-CG 3.34Å; R32-D36 IonicContact NE-OD1 3.71Å; R32-D36 PolarHBondContact NE-OD1 3.45Å; R32-D36 IonicContact NE-OD2 3.88Å; R32-D36 PolarHBondContact NE-OD2 3.46Å; R32-D36 IonicContact NH2-OD1 2.84Å; R32-D36 IonicContact NH2-OD2 3.18Å; R32-D36 WeakPolarHBondContact O-CB 3.29Å; R32-D36 PolarHBondContact O-N 3Å; D36-K114 IonicContact OD2-NZ 3.96Å; D36-K114 PolarHBondContact OD2-NZ 2.87Å
37	H	94.2	Very high	92.5	Very high	28 Å²	28	51.7 Å²	51.7	13%	0.13	25%	0.249	C	C	.	.			trans	-138.2	74.5	-176.2	-56.1	-75.8	0	0	0	111.9	L33 E39 T40 F107	L33-H37 CarbonylContact O-C 3.45Å; L33-H37 WeakPolarHBondContact O-CA 2.93Å; L33-H37 WeakPolarHBondContact O-CB 3.28Å; L33-H37 PolarHBondContact O-N 3.43Å; H37-E39 VanDerWaalsContact CA-OE2 3.31Å; H37-E39 WeakPolarHBondContact CA-OE2 3.34Å; H37-E39 IonicContact ND1-OE1 3.82Å; H37-E39 PolarHBondContact O-N 3.38Å; H37-E39 VanDerWaalsContact O-N 3.1Å; H37-T40 HydrophobicContact CB-CG2 3.76Å; H37-T40 WeakPolarHBondContact O-CB 3.3Å; H37-T40 WeakPolarHBondContact O-CG2 3.26Å; H37-T40 PolarHBondContact O-N 3.01Å; H37-T40 PolarHBondContact O-OG1 2.83Å; H37-F107 HydrophobicContact CB-CD2 3.96Å; H37-F107 HydrophobicContact CB-CE2 4.36Å; H37-F107 HydrophobicContact CB-CG 4.38Å; H37-F107 AromaticContact CD2-CG 3.72Å; H37-F107 AromaticContact CE1-CD1 3.29Å; H37-F107 WeakPolarHBondContact CE1-CD1 3.35Å; H37-F107 AromaticContact CE1-CE1 3.41Å; H37-F107 VanDerWaalsContact CE1-CE1 3.41Å; H37-F107 WeakPolarHBondContact CE1-CE1 3.35Å; H37-F107 AromaticContact CE1-CG 3.7Å; H37-F107 AromaticContact CE1-CZ 3.93Å; H37-F107 AromaticContact CG-CD2 3.65Å; H37-F107 AromaticContact CG-CG 3.65Å; H37-F107 AromaticContact ND1-CD1 3.61Å; H37-F107 AromaticContact ND1-CD2 3.66Å; H37-F107 AromaticContact ND1-CE1 3.59Å; H37-F107 AromaticContact ND1-CE2 3.65Å; H37-F107 AromaticContact ND1-CG 3.64Å; H37-F107 AromaticContact ND1-CZ 3.61Å; H37-F107 AromaticContact NE2-CD1 3.55Å; H37-F107 AromaticContact NE2-CG 3.74Å
38	P	91.5	Very high	91.9	Very high	78 Å²	78	55.5 Å²	55.5	51%	0.506	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-55.9	-29	-176.8	-25.7	35	0	0	0	114.5	F34 T40 L41	F34-P38 VanDerWaalsContact O-CA 3.3Å; F34-P38 WeakPolarHBondContact O-CA 3.49Å; P38-T40 PolarHBondContact O-N 3.27Å; P38-T40 VanDerWaalsContact O-N 3.11Å; P38-L41 VanDerWaalsContact O-CB 3.26Å; P38-L41 WeakPolarHBondContact O-CB 3.32Å; P38-L41 PolarHBondContact O-N 3.31Å
39	E	91.9	Very high	91.3	Very high	72 Å²	72	57 Å²	57	34%	0.336	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-60.6	-21.6	176.8	70.2	-86.9	-154.6	0	0	113.2	H37 L41 Y104 F107	H37-E39 VanDerWaalsContact CA-OE2 3.31Å; H37-E39 WeakPolarHBondContact CA-OE2 3.34Å; H37-E39 IonicContact ND1-OE1 3.82Å; H37-E39 PolarHBondContact O-N 3.38Å; H37-E39 VanDerWaalsContact O-N 3.1Å; E39-L41 VanDerWaalsContact C-N 3.32Å; E39-Y104 HydrophobicContact CG-CE1 3.84Å; E39-Y104 WeakPolarHBondContact CG-OH 3.36Å; E39-Y104 PolarHBondContact O-OH 3.35Å; E39-F107 VanDerWaalsContact OE1-CE2 3.25Å; E39-F107 WeakPolarHBondContact OE1-CE2 3.49Å
40	T	92.8	Very high	90.9	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.018	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-72.9	-27.7	177	64.3	0	0	0	0	112	L33 F34 H37 P38 D42 R43 F44 Y104 F107	L33-T40 HydrophobicContact CD1-CG2 4.12Å; L33-T40 HydrophobicContact CG-CG2 4.39Å; F34-T40 WeakPolarHBondContact CD1-OG1 3.49Å; H37-T40 HydrophobicContact CB-CG2 3.76Å; H37-T40 WeakPolarHBondContact O-CB 3.3Å; H37-T40 WeakPolarHBondContact O-CG2 3.26Å; H37-T40 PolarHBondContact O-N 3.01Å; H37-T40 PolarHBondContact O-OG1 2.83Å; P38-T40 PolarHBondContact O-N 3.27Å; P38-T40 VanDerWaalsContact O-N 3.11Å; T40-D42 VanDerWaalsContact C-N 3.27Å; T40-D42 PolarHBondContact O-N 2.89Å; T40-R43 PolarHBondContact O-N 3.42Å; T40-F44 VanDerWaalsContact O-CD2 3.24Å; T40-F44 WeakPolarHBondContact O-CD2 3.5Å; T40-F44 WeakPolarHBondContact O-CE2 3.42Å; T40-Y104 HydrophobicContact CG2-CD1 4.07Å; T40-Y104 HydrophobicContact CG2-CD2 3.9Å; T40-Y104 HydrophobicContact CG2-CE1 4.29Å; T40-Y104 HydrophobicContact CG2-CE2 4.12Å; T40-Y104 HydrophobicContact CG2-CG 3.89Å; T40-F107 HydrophobicContact CG2-CD2 3.96Å
41	L	90.9	Very high	90.2	Very high	21 Å²	21	63.3 Å²	63.3	11%	0.11	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-64	-32.3	178.9	-174.5	62.7	0	0	0	112	F34 P38 E39 R43 F44 F47 M56	F34-L41 HydrophobicContact CD1-CB 4.02Å; F34-L41 HydrophobicContact CD1-CD1 4.06Å; F34-L41 HydrophobicContact CD2-CD1 3.64Å; F34-L41 HydrophobicContact CE1-CB 4.43Å; F34-L41 HydrophobicContact CE1-CD1 4.09Å; F34-L41 HydrophobicContact CE2-CD1 3.61Å; F34-L41 HydrophobicContact CG-CB 4.27Å; F34-L41 HydrophobicContact CG-CD1 3.86Å; F34-L41 HydrophobicContact CZ-CD1 3.87Å; P38-L41 VanDerWaalsContact O-CB 3.26Å; P38-L41 WeakPolarHBondContact O-CB 3.32Å; P38-L41 PolarHBondContact O-N 3.31Å; E39-L41 VanDerWaalsContact C-N 3.32Å; L41-R43 PolarHBondContact O-N 3.36Å; L41-R43 VanDerWaalsContact O-N 3.07Å; L41-F44 PolarHBondContact O-N 3.02Å; L41-F47 HydrophobicContact CD1-CB 3.76Å; L41-M56 HydrophobicContact CD2-CE 4.14Å
42	D	87.9	Confident	89.8	Confident	105 Å²	105	63.8 Å²	63.8	56%	0.561	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-61.2	-21	179.8	-72.5	-24.4	0	0	0	113.4	T40 F44 K48	T40-D42 VanDerWaalsContact C-N 3.27Å; T40-D42 PolarHBondContact O-N 2.89Å; D42-F44 VanDerWaalsContact C-N 3.31Å; D42-K48 WeakPolarHBondContact O-CE 3.4Å; D42-K48 PolarHBondContact O-NZ 3.44Å
43	R	88.9	Confident	89.4	Confident	110 Å²	110	63.4 Å²	63.4	42%	0.415	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-80.5	-13.5	175.7	-57.8	-62.1	174.2	175.1	-4.3	113.3	T40 L41 I100 Y104	T40-R43 PolarHBondContact O-N 3.42Å; L41-R43 PolarHBondContact O-N 3.36Å; L41-R43 VanDerWaalsContact O-N 3.07Å; R43-I100 HydrophobicContact CB-CD1 3.58Å; R43-I100 HydrophobicContact CG-CD1 3.75Å; R43-Y104 HydrophobicContact CG-CD2 4.09Å; R43-Y104 HydrophobicContact CG-CE2 3.65Å
44	F	88.8	Confident	89.1	Confident	49 Å²	49	69.1 Å²	69.1	22%	0.215	36%	0.359	C	S	.	.			trans	-106.5	82.8	-179.9	-63.4	-89.3	0	0	0	110.2	F34 T40 L41 D42 K46 F47 K48 H65	F34-F44 AromaticContact CE1-CD2 3.6Å; F34-F44 HydrophobicContact CE1-CD2 3.6Å; F34-F44 AromaticContact CE1-CE2 3.65Å; F34-F44 HydrophobicContact CE1-CE2 3.65Å; F34-F44 HydrophobicContact CE1-CG 4.46Å; F34-F44 AromaticContact CZ-CD2 3.64Å; F34-F44 HydrophobicContact CZ-CD2 3.64Å; F34-F44 AromaticContact CZ-CE2 3.89Å; F34-F44 HydrophobicContact CZ-CE2 3.89Å; F34-F44 HydrophobicContact CZ-CG 4.06Å; F34-F44 HydrophobicContact CZ-CZ 4.49Å; T40-F44 VanDerWaalsContact O-CD2 3.24Å; T40-F44 WeakPolarHBondContact O-CD2 3.5Å; T40-F44 WeakPolarHBondContact O-CE2 3.42Å; L41-F44 PolarHBondContact O-N 3.02Å; D42-F44 VanDerWaalsContact C-N 3.31Å; F44-K46 PolarHBondContact O-N 3.12Å; F44-F47 HydrophobicContact CB-CB 3.95Å; F44-F47 HydrophobicContact CB-CD2 3.61Å; F44-F47 HydrophobicContact CB-CG 4.19Å; F44-F47 AromaticContact CD1-CD2 3.85Å; F44-F47 HydrophobicContact CD1-CD2 3.85Å; F44-F47 HydrophobicContact CD1-CE2 4.05Å; F44-F47 AromaticContact CG-CD2 3.91Å; F44-F47 HydrophobicContact CG-CD2 3.91Å; F44-F47 CarbonylContact O-C 3.18Å; F44-F47 WeakPolarHBondContact O-CA 3.29Å; F44-F47 PolarHBondContact O-N 3.39Å; F44-K48 PolarHBondContact O-N 2.85Å; F44-K48 VanDerWaalsContact O-N 3.1Å; F44-H65 AromaticContact CE1-CD2 3.9Å; F44-H65 AromaticContact CE1-NE2 3.34Å; F44-H65 VanDerWaalsContact CE1-NE2 3.34Å; F44-H65 WeakPolarHBondContact CE1-NE2 3.32Å
45	E	88.1	Confident	88.9	Confident	163 Å²	163	72.7 Å²	72.7	76%	0.762	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-49.5	-37.6	179	-63.4	-171.1	139.5	0	0	113.3	F47	E45-F47 VanDerWaalsContact C-N 3.26Å; E45-F47 PolarHBondContact O-N 3.26Å
46	K	88.5	Confident	88.9	Confident	131 Å²	131	68.9 Å²	68.9	57%	0.57	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-63.5	-28.1	176.9	-171	171.9	-179	174.5	0	114	F44 E61	F44-K46 PolarHBondContact O-N 3.12Å; K46-E61 WeakPolarHBondContact CE-OE1 3.44Å; K46-E61 WeakPolarHBondContact CE-OE2 3.46Å; K46-E61 VanDerWaalsContact NZ-CD 3.3Å; K46-E61 IonicContact NZ-OE1 2.77Å; K46-E61 PolarHBondContact NZ-OE1 3.19Å; K46-E61 IonicContact NZ-OE2 2.65Å
47	F	90	Very high	88.7	Confident	6 Å²	6	73.7 Å²	73.7	3%	0.026	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-109.9	-1	-173.5	-55.4	-42	0	0	0	113.7	F34 L41 F44 E45 G49 L50 E61 L62 H65	F34-F47 HydrophobicContact CE2-CD2 4.42Å; F34-F47 HydrophobicContact CZ-CD2 4.4Å; L41-F47 HydrophobicContact CD1-CB 3.76Å; F44-F47 HydrophobicContact CB-CB 3.95Å; F44-F47 HydrophobicContact CB-CD2 3.61Å; F44-F47 HydrophobicContact CB-CG 4.19Å; F44-F47 AromaticContact CD1-CD2 3.85Å; F44-F47 HydrophobicContact CD1-CD2 3.85Å; F44-F47 HydrophobicContact CD1-CE2 4.05Å; F44-F47 AromaticContact CG-CD2 3.91Å; F44-F47 HydrophobicContact CG-CD2 3.91Å; F44-F47 CarbonylContact O-C 3.18Å; F44-F47 WeakPolarHBondContact O-CA 3.29Å; F44-F47 PolarHBondContact O-N 3.39Å; E45-F47 VanDerWaalsContact C-N 3.26Å; E45-F47 PolarHBondContact O-N 3.26Å; F47-G49 PolarHBondContact O-N 3.44Å; F47-L50 HydrophobicContact CB-CD1 3.94Å; F47-L50 HydrophobicContact CB-CG 4.39Å; F47-L50 HydrophobicContact CD1-CD1 3.9Å; F47-L50 HydrophobicContact CG-CD1 4.18Å; F47-L50 WeakPolarHBondContact O-CB 3.36Å; F47-L50 WeakPolarHBondContact O-CG 3.49Å; F47-L50 PolarHBondContact O-N 3.33Å; F47-E61 HydrophobicContact CE1-CB 3.94Å; F47-L62 HydrophobicContact CD2-CD1 3.96Å; F47-L62 HydrophobicContact CE1-CB 4.41Å; F47-L62 HydrophobicContact CE2-CD1 3.97Å; F47-L62 HydrophobicContact CG-CD1 4.3Å; F47-L62 HydrophobicContact CZ-CD1 4.28Å; F47-H65 HydrophobicContact CE2-CB 3.89Å; F47-H65 AromaticContact CE2-CD2 3.89Å; F47-H65 AromaticContact CE2-CG 3.86Å; F47-H65 HydrophobicContact CZ-CB 3.7Å
48	K	83.1	Confident	88.6	Confident	102 Å²	102	76 Å²	76	44%	0.443	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-26.4	178.6	-73.8	-178.1	178.6	178.2	0	114.3	D42 F44 L50	D42-K48 WeakPolarHBondContact O-CE 3.4Å; D42-K48 PolarHBondContact O-NZ 3.44Å; F44-K48 PolarHBondContact O-N 2.85Å; F44-K48 VanDerWaalsContact O-N 3.1Å; K48-L50 VanDerWaalsContact C-N 3.32Å
49	G	83.3	Confident	88.7	Confident	58 Å²	58	73 Å²	73	60%	0.598	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-6.6	176.3	0	0	0	0	0	115.1	F47 T51 Q55	F47-G49 PolarHBondContact O-N 3.44Å; G49-T51 PolarHBondContact O-N 2.75Å; G49-Q55 PolarHBondContact O-OE1 3.39Å
50	L	87.4	Confident	88.7	Confident	26 Å²	26	74.7 Å²	74.7	14%	0.136	39%	0.39	C	S	.	.			trans	-86.5	82.1	177.5	-54.9	-180	0	0	0	109.1	F47 K48 Q55 M56 L62	F47-L50 HydrophobicContact CB-CD1 3.94Å; F47-L50 HydrophobicContact CB-CG 4.39Å; F47-L50 HydrophobicContact CD1-CD1 3.9Å; F47-L50 HydrophobicContact CG-CD1 4.18Å; F47-L50 WeakPolarHBondContact O-CB 3.36Å; F47-L50 WeakPolarHBondContact O-CG 3.49Å; F47-L50 PolarHBondContact O-N 3.33Å; K48-L50 VanDerWaalsContact C-N 3.32Å; L50-Q55 HydrophobicContact CD2-CB 4.11Å; L50-M56 HydrophobicContact CB-CE 4.5Å; L50-M56 HydrophobicContact CB-CG 3.79Å; L50-M56 HydrophobicContact CD1-CG 4.37Å; L50-M56 WeakPolarHBondContact O-CE 3.34Å; L50-L62 HydrophobicContact CD1-CB 4.39Å; L50-L62 HydrophobicContact CD1-CD2 4.36Å
51	T	81.4	Confident	88.8	Confident	110 Å²	110	79 Å²	79	68%	0.675	41%	0.41	S	S	*	.			trans	-91.7	-15.1	-174.9	58.4	0	0	0	0	113.5	G49 Q55	G49-T51 PolarHBondContact O-N 2.75Å; T51-Q55 PolarHBondContact OG1-OE1 2.98Å
52	T	87.6	Confident	88.9	Confident	48 Å²	48	78 Å²	78	29%	0.294	40%	0.404	S	S	.	.	S	Bend	trans	-120.4	151.6	177.8	90.2	0	0	0	0	113.1	E54 Q55 M56	T52-E54 VanDerWaalsContact CB-OE2 3.25Å; T52-E54 WeakPolarHBondContact CB-OE2 3.24Å; T52-E54 PolarHBondContact O-N 3.06Å; T52-E54 PolarHBondContact OG1-N 2.91Å; T52-E54 PolarHBondContact OG1-OE2 3.16Å; T52-Q55 VanDerWaalsContact N-OE1 3.13Å; T52-Q55 PolarHBondContact O-N 3.31Å; T52-Q55 VanDerWaalsContact O-N 3.15Å; T52-Q55 PolarHBondContact OG1-N 3.02Å; T52-M56 WeakPolarHBondContact O-CG 3.45Å; T52-M56 PolarHBondContact O-N 3.37Å
53	P	86.4	Confident	89.2	Confident	64 Å²	64	76.3 Å²	76.3	42%	0.416	39%	0.392	S	S	.	.	H	α-helix	trans	-54.9	-35.1	174.7	-27.3	36.3	0	0	0	113.7	M56 K57	P53-M56 PolarHBondContact O-N 3.2Å; P53-K57 VanDerWaalsContact O-CB 3.28Å; P53-K57 WeakPolarHBondContact O-CB 3.42Å; P53-K57 PolarHBondContact O-N 2.94Å
54	E	89.4	Confident	89.6	Confident	128 Å²	128	78 Å²	78	60%	0.598	40%	0.402	S	S	*	.	H	α-helix	trans	-66.5	-42.3	178.7	-59.6	71.5	-155.2	0	0	111.3	T52 K57 A58	T52-E54 VanDerWaalsContact CB-OE2 3.25Å; T52-E54 WeakPolarHBondContact CB-OE2 3.24Å; T52-E54 PolarHBondContact O-N 3.06Å; T52-E54 PolarHBondContact OG1-N 2.91Å; T52-E54 PolarHBondContact OG1-OE2 3.16Å; E54-K57 PolarHBondContact O-N 2.96Å; E54-A58 WeakPolarHBondContact O-CB 3.47Å; E54-A58 PolarHBondContact O-N 3.2Å
55	Q	90.1	Very high	89.9	Confident	79 Å²	79	78.4 Å²	78.4	37%	0.369	41%	0.405	S	S	.	.	H	α-helix	trans	-64.3	-42.9	175.4	-68.5	174.2	-26	0	0	111.2	G49 L50 T51 T52 K57 A58 S59	G49-Q55 PolarHBondContact O-OE1 3.39Å; L50-Q55 HydrophobicContact CD2-CB 4.11Å; T51-Q55 PolarHBondContact OG1-OE1 2.98Å; T52-Q55 VanDerWaalsContact N-OE1 3.13Å; T52-Q55 PolarHBondContact O-N 3.31Å; T52-Q55 VanDerWaalsContact O-N 3.15Å; T52-Q55 PolarHBondContact OG1-N 3.02Å; Q55-K57 VanDerWaalsContact C-N 3.33Å; Q55-K57 PolarHBondContact O-N 3.29Å; Q55-A58 PolarHBondContact O-N 2.95Å; Q55-S59 PolarHBondContact O-N 2.77Å; Q55-S59 VanDerWaalsContact O-N 3.14Å
56	M	90.6	Very high	90.2	Very high	11 Å²	11	70.7 Å²	70.7	5%	0.054	37%	0.368	C	S	.	.	H	α-helix	trans	-62.2	-42.9	175.7	-63.6	-179.3	-175.7	0	0	111.3	H27 M31 F34 L41 L50 T52 P53 A58 S59 L62	H27-M56 PolarHBondContact NE2-O 2.86Å; M31-M56 HydrophobicContact CG-CB 3.9Å; M31-M56 HydrophobicContact SD-CB 4.32Å; F34-M56 HydrophobicContact CB-CE 3.67Å; F34-M56 HydrophobicContact CB-SD 3.96Å; F34-M56 HydrophobicContact CD2-CE 4.19Å; F34-M56 HydrophobicContact CD2-SD 4.14Å; F34-M56 HydrophobicContact CG-CE 4.38Å; L41-M56 HydrophobicContact CD2-CE 4.14Å; L50-M56 HydrophobicContact CB-CE 4.5Å; L50-M56 HydrophobicContact CB-CG 3.79Å; L50-M56 HydrophobicContact CD1-CG 4.37Å; L50-M56 WeakPolarHBondContact O-CE 3.34Å; T52-M56 WeakPolarHBondContact O-CG 3.45Å; T52-M56 PolarHBondContact O-N 3.37Å; P53-M56 PolarHBondContact O-N 3.2Å; M56-A58 VanDerWaalsContact C-N 3.31Å; M56-A58 PolarHBondContact O-N 3.41Å; M56-S59 WeakPolarHBondContact O-CB 3.45Å; M56-S59 PolarHBondContact O-N 3.24Å; M56-L62 HydrophobicContact CB-CD2 3.88Å; M56-L62 HydrophobicContact CG-CD2 4.4Å
57	K	89.5	Confident	90.6	Very high	155 Å²	155	66.4 Å²	66.4	67%	0.674	35%	0.353	S	S	*	.	H	α-helix	trans	-65.5	-30.8	177.4	-172.4	179.4	179.4	-177.6	0	113	H27 M31 P53 E54 Q55	H27-K57 PolarHBondContact CE1-O 3.14Å; H27-K57 VanDerWaalsContact CE1-O 3.23Å; M31-K57 HydrophobicContact SD-CB 4.04Å; P53-K57 VanDerWaalsContact O-CB 3.28Å; P53-K57 WeakPolarHBondContact O-CB 3.42Å; P53-K57 PolarHBondContact O-N 2.94Å; E54-K57 PolarHBondContact O-N 2.96Å; Q55-K57 VanDerWaalsContact C-N 3.33Å; Q55-K57 PolarHBondContact O-N 3.29Å
58	A	92	Very high	90.9	Very high	77 Å²	77	70.5 Å²	70.5	64%	0.636	38%	0.379	S	S	*	.	H	α-helix	trans	-84.3	-8.8	176.4	0	0	0	0	0	113.6	E54 Q55 M56 E60	E54-A58 WeakPolarHBondContact O-CB 3.47Å; E54-A58 PolarHBondContact O-N 3.2Å; Q55-A58 PolarHBondContact O-N 2.95Å; M56-A58 VanDerWaalsContact C-N 3.31Å; M56-A58 PolarHBondContact O-N 3.41Å; A58-E60 PolarHBondContact O-N 3.42Å
59	S	93.3	Very high	91.5	Very high	15 Å²	15	67.5 Å²	67.5	11%	0.105	37%	0.369	C	S	.	.			trans	-82	101.8	-173.4	-176.7	0	0	0	0	112.8	Q55 M56 E61 L62 K63	Q55-S59 PolarHBondContact O-N 2.77Å; Q55-S59 VanDerWaalsContact O-N 3.14Å; M56-S59 WeakPolarHBondContact O-CB 3.45Å; M56-S59 PolarHBondContact O-N 3.24Å; S59-E61 PolarHBondContact O-N 2.84Å; S59-L62 WeakPolarHBondContact O-CB 3.48Å; S59-L62 PolarHBondContact O-N 2.93Å; S59-L62 WeakPolarHBondContact OG-CB 3.46Å; S59-L62 PolarHBondContact OG-N 3.25Å; S59-L62 VanDerWaalsContact OG-N 3.14Å; S59-K63 PolarHBondContact O-N 3.4Å; S59-K63 VanDerWaalsContact O-N 3.15Å
60	E	93.9	Very high	92.1	Very high	108 Å²	108	64.8 Å²	64.8	51%	0.505	34%	0.341	S	S	.	.	H	α-helix	trans	-62	-27.9	170.6	-71.6	-59	126.3	0	0	112.5	A58 K64	A58-E60 PolarHBondContact O-N 3.42Å; E60-K64 WeakPolarHBondContact O-CB 3.43Å; E60-K64 VanDerWaalsContact O-CG 3.28Å; E60-K64 WeakPolarHBondContact O-CG 3.49Å; E60-K64 PolarHBondContact O-N 3.22Å
61	E	93.8	Very high	92.5	Very high	94 Å²	94	66 Å²	66	44%	0.439	35%	0.35	S	S	.	.	H	α-helix	trans	-72.2	-37.8	177.1	-58.9	-159.2	107.7	0	0	112.1	K46 F47 S59 K63 K64 H65	K46-E61 WeakPolarHBondContact CE-OE1 3.44Å; K46-E61 WeakPolarHBondContact CE-OE2 3.46Å; K46-E61 VanDerWaalsContact NZ-CD 3.3Å; K46-E61 IonicContact NZ-OE1 2.77Å; K46-E61 PolarHBondContact NZ-OE1 3.19Å; K46-E61 IonicContact NZ-OE2 2.65Å; F47-E61 HydrophobicContact CE1-CB 3.94Å; S59-E61 PolarHBondContact O-N 2.84Å; E61-K63 VanDerWaalsContact C-N 3.34Å; E61-K64 PolarHBondContact O-N 3.06Å; E61-H65 WeakPolarHBondContact O-CB 3.44Å; E61-H65 PolarHBondContact O-N 3.25Å
62	L	93.3	Very high	93.2	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63.3	-44.1	173.5	-175.4	62.5	0	0	0	110.6	L30 M31 F34 F47 L50 M56 S59 H65 G66	L30-L62 HydrophobicContact CB-CD1 3.85Å; L30-L62 HydrophobicContact CB-CG 4.29Å; L30-L62 HydrophobicContact CD1-CD1 3.76Å; L30-L62 HydrophobicContact CD1-CG 4.44Å; L30-L62 HydrophobicContact CG-CD1 4.46Å; M31-L62 HydrophobicContact CG-CD2 3.88Å; F34-L62 HydrophobicContact CD2-CD1 4.41Å; F34-L62 HydrophobicContact CE2-CD1 3.57Å; F34-L62 HydrophobicContact CZ-CD1 4.35Å; F47-L62 HydrophobicContact CD2-CD1 3.96Å; F47-L62 HydrophobicContact CE1-CB 4.41Å; F47-L62 HydrophobicContact CE2-CD1 3.97Å; F47-L62 HydrophobicContact CG-CD1 4.3Å; F47-L62 HydrophobicContact CZ-CD1 4.28Å; L50-L62 HydrophobicContact CD1-CB 4.39Å; L50-L62 HydrophobicContact CD1-CD2 4.36Å; M56-L62 HydrophobicContact CB-CD2 3.88Å; M56-L62 HydrophobicContact CG-CD2 4.4Å; S59-L62 WeakPolarHBondContact O-CB 3.48Å; S59-L62 PolarHBondContact O-N 2.93Å; S59-L62 WeakPolarHBondContact OG-CB 3.46Å; S59-L62 PolarHBondContact OG-N 3.25Å; S59-L62 VanDerWaalsContact OG-N 3.14Å; L62-H65 PolarHBondContact O-N 3.15Å; L62-G66 PolarHBondContact O-N 3.01Å
63	K	94.7	Very high	93.6	Very high	69 Å²	69	61.1 Å²	61.1	30%	0.3	32%	0.316	S	S	.	.	H	α-helix	trans	-59.2	-47.9	175.1	-176.6	175.4	179.9	-177.3	0	112.1	A23 H27 S59 E61 H65 G66 V67	A23-K63 HydrophobicContact CB-CD 4.5Å; A23-K63 HydrophobicContact CB-CG 4.15Å; H27-K63 HydrophobicContact CB-CB 4.22Å; H27-K63 HydrophobicContact CB-CG 4.19Å; S59-K63 PolarHBondContact O-N 3.4Å; S59-K63 VanDerWaalsContact O-N 3.15Å; E61-K63 VanDerWaalsContact C-N 3.34Å; K63-H65 VanDerWaalsContact C-N 3.31Å; K63-H65 PolarHBondContact O-N 3.22Å; K63-G66 PolarHBondContact O-N 3.11Å; K63-V67 WeakPolarHBondContact O-CG2 3.35Å; K63-V67 PolarHBondContact O-N 2.89Å
64	K	96.1	Very high	94	Very high	144 Å²	144	58.1 Å²	58.1	63%	0.626	30%	0.296	S	S	*	.	H	α-helix	trans	-58.6	-42.5	175	-75.2	172.2	-175.4	176.8	0	111.9	E60 E61 V67 T68	E60-K64 WeakPolarHBondContact O-CB 3.43Å; E60-K64 VanDerWaalsContact O-CG 3.28Å; E60-K64 WeakPolarHBondContact O-CG 3.49Å; E60-K64 PolarHBondContact O-N 3.22Å; E61-K64 PolarHBondContact O-N 3.06Å; K64-V67 WeakPolarHBondContact O-CB 3.21Å; K64-V67 PolarHBondContact O-N 3.02Å; K64-T68 PolarHBondContact O-N 3.43Å; K64-T68 VanDerWaalsContact O-N 3.14Å; K64-T68 PolarHBondContact O-OG1 2.97Å
65	H	95.1	Very high	94.4	Very high	59 Å²	59	56.6 Å²	56.6	27%	0.273	29%	0.288	S	S	.	.	H	α-helix	trans	-65.4	-40.6	177.2	-169	67	0	0	0	112.1	L30 F44 F47 E61 L62 K63 V67 T68 V69	L30-H65 HydrophobicContact CD1-CB 4.3Å; F44-H65 AromaticContact CE1-CD2 3.9Å; F44-H65 AromaticContact CE1-NE2 3.34Å; F44-H65 VanDerWaalsContact CE1-NE2 3.34Å; F44-H65 WeakPolarHBondContact CE1-NE2 3.32Å; F47-H65 HydrophobicContact CE2-CB 3.89Å; F47-H65 AromaticContact CE2-CD2 3.89Å; F47-H65 AromaticContact CE2-CG 3.86Å; F47-H65 HydrophobicContact CZ-CB 3.7Å; E61-H65 WeakPolarHBondContact O-CB 3.44Å; E61-H65 PolarHBondContact O-N 3.25Å; L62-H65 PolarHBondContact O-N 3.15Å; K63-H65 VanDerWaalsContact C-N 3.31Å; K63-H65 PolarHBondContact O-N 3.22Å; H65-V67 VanDerWaalsContact C-N 3.31Å; H65-V67 PolarHBondContact O-N 3.23Å; H65-T68 WeakPolarHBondContact O-CB 3.31Å; H65-T68 PolarHBondContact O-N 2.66Å; H65-V69 WeakPolarHBondContact O-CG2 3.45Å; H65-V69 PolarHBondContact O-N 2.93Å
66	G	95.4	Very high	94.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-56.7	-43	173.1	0	0	0	0	0	112.6	L30 L62 K63 T68 V69 L70	L30-G66 VanDerWaalsContact CD1-CA 3.47Å; L62-G66 PolarHBondContact O-N 3.01Å; K63-G66 PolarHBondContact O-N 3.11Å; G66-T68 VanDerWaalsContact C-N 3.34Å; G66-T68 PolarHBondContact O-N 2.98Å; G66-V69 PolarHBondContact O-N 3.33Å; G66-L70 WeakPolarHBondContact O-CG 3.34Å; G66-L70 PolarHBondContact O-N 2.91Å
67	V	96.9	Very high	94.9	Very high	42 Å²	42	52.5 Å²	52.5	26%	0.255	27%	0.269	S	S	.	.	H	α-helix	trans	-58.6	-46.1	172.9	176.1	0	0	0	0	111	I22 A23 K63 K64 H65 V69 T71	I22-V67 HydrophobicContact CG2-CG1 4.16Å; I22-V67 HydrophobicContact CG2-CG2 4.32Å; A23-V67 HydrophobicContact CB-CG2 3.7Å; K63-V67 WeakPolarHBondContact O-CG2 3.35Å; K63-V67 PolarHBondContact O-N 2.89Å; K64-V67 WeakPolarHBondContact O-CB 3.21Å; K64-V67 PolarHBondContact O-N 3.02Å; H65-V67 VanDerWaalsContact C-N 3.31Å; H65-V67 PolarHBondContact O-N 3.23Å; V67-V69 PolarHBondContact O-N 2.63Å; V67-T71 WeakPolarHBondContact O-CB 3.5Å; V67-T71 PolarHBondContact O-N 3.1Å; V67-T71 PolarHBondContact O-OG1 3.11Å
68	T	95.7	Very high	95.2	Very high	91 Å²	91	49.9 Å²	49.9	56%	0.558	26%	0.257	S	S	*	.	H	α-helix	trans	-60.2	-46.9	178.5	-56.9	0	0	0	0	112.1	K64 H65 G66 T71 Q72	K64-T68 PolarHBondContact O-N 3.43Å; K64-T68 VanDerWaalsContact O-N 3.14Å; K64-T68 PolarHBondContact O-OG1 2.97Å; H65-T68 WeakPolarHBondContact O-CB 3.31Å; H65-T68 PolarHBondContact O-N 2.66Å; G66-T68 VanDerWaalsContact C-N 3.34Å; G66-T68 PolarHBondContact O-N 2.98Å; T68-T71 PolarHBondContact O-N 2.91Å; T68-Q72 PolarHBondContact O-N 2.89Å; T68-Q72 VanDerWaalsContact O-N 3.08Å
69	V	94.8	Very high	95.4	Very high	40 Å²	40	50.2 Å²	50.2	24%	0.242	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-51.9	180	172.1	0	0	0	0	110.9	H65 G66 V67 T71 Q72 L73 I108	H65-V69 WeakPolarHBondContact O-CG2 3.45Å; H65-V69 PolarHBondContact O-N 2.93Å; G66-V69 PolarHBondContact O-N 3.33Å; V67-V69 PolarHBondContact O-N 2.63Å; V69-T71 VanDerWaalsContact C-N 3.33Å; V69-T71 PolarHBondContact O-N 2.72Å; V69-Q72 PolarHBondContact O-N 3.5Å; V69-L73 PolarHBondContact O-N 3.41Å; V69-I108 HydrophobicContact CG1-CD1 4.17Å
70	L	96.7	Very high	95.5	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-68	-33.7	-179.4	-63.8	-168.4	0	0	0	112.3	W15 V18 I22 H25 I29 G66 Q72 L73 G74	W15-L70 HydrophobicContact CH2-CD2 4.03Å; W15-L70 HydrophobicContact CZ2-CB 4.36Å; W15-L70 WeakPolarHBondContact CZ2-O 3.26Å; V18-L70 HydrophobicContact CG1-CD1 3.89Å; I22-L70 HydrophobicContact CD1-CB 3.99Å; I22-L70 HydrophobicContact CG1-CB 3.78Å; I22-L70 HydrophobicContact CG1-CD1 4.24Å; H25-L70 HydrophobicContact CB-CD1 3.7Å; I29-L70 HydrophobicContact CD1-CD1 4.09Å; I29-L70 HydrophobicContact CD1-CD2 3.89Å; G66-L70 WeakPolarHBondContact O-CG 3.34Å; G66-L70 PolarHBondContact O-N 2.91Å; L70-Q72 VanDerWaalsContact C-N 3.34Å; L70-Q72 PolarHBondContact O-N 2.92Å; L70-L73 PolarHBondContact O-N 2.99Å; L70-G74 PolarHBondContact O-N 2.97Å
71	T	96.2	Very high	95.3	Very high	52 Å²	52	49.8 Å²	49.8	32%	0.319	25%	0.249	S	C	.	.	H	α-helix	trans	-62.9	-44.7	176.6	-60.6	0	0	0	0	110.6	I22 V67 T68 V69 G74 K75	I22-T71 WeakPolarHBondContact CD1-OG1 3.5Å; V67-T71 WeakPolarHBondContact O-CB 3.5Å; V67-T71 PolarHBondContact O-N 3.1Å; V67-T71 PolarHBondContact O-OG1 3.11Å; T68-T71 PolarHBondContact O-N 2.91Å; V69-T71 VanDerWaalsContact C-N 3.33Å; V69-T71 PolarHBondContact O-N 2.72Å; T71-G74 PolarHBondContact O-N 3.22Å; T71-K75 WeakPolarHBondContact O-CG 3.36Å; T71-K75 PolarHBondContact O-N 3.36Å; T71-K75 VanDerWaalsContact O-N 3.1Å
72	Q	95.3	Very high	95.2	Very high	42 Å²	42	54 Å²	54	20%	0.196	27%	0.266	C	S	.	.	H	α-helix	trans	-69.7	-40.4	179.6	-166.9	58.3	28.3	0	0	111.9	T68 V69 L70 G74 K75 I76 E86 L90	T68-Q72 PolarHBondContact O-N 2.89Å; T68-Q72 VanDerWaalsContact O-N 3.08Å; V69-Q72 PolarHBondContact O-N 3.5Å; L70-Q72 VanDerWaalsContact C-N 3.34Å; L70-Q72 PolarHBondContact O-N 2.92Å; Q72-G74 VanDerWaalsContact C-N 3.33Å; Q72-G74 PolarHBondContact O-N 2.98Å; Q72-K75 PolarHBondContact O-N 3.5Å; Q72-I76 WeakPolarHBondContact O-CG1 3.44Å; Q72-I76 PolarHBondContact O-N 3.46Å; Q72-E86 PolarHBondContact NE2-O 3.06Å; Q72-E86 PolarHBondContact NE2-OE2 3.3Å; Q72-L90 HydrophobicContact CG-CD1 4.26Å
73	L	95.9	Very high	95.3	Very high	13 Å²	13	54.3 Å²	54.3	7%	0.068	27%	0.267	C	S	.	.	H	α-helix	trans	-62.2	-41.1	174.1	-178.8	56.5	0	0	0	111.6	W15 V69 L70 K75 I76 L77 I112 L136	W15-L73 HydrophobicContact CH2-CB 4.25Å; W15-L73 HydrophobicContact CH2-CD2 3.72Å; W15-L73 HydrophobicContact CH2-CG 3.88Å; W15-L73 HydrophobicContact CZ2-CB 4.32Å; W15-L73 HydrophobicContact CZ2-CG 4.3Å; W15-L73 HydrophobicContact CZ3-CD2 4.28Å; V69-L73 PolarHBondContact O-N 3.41Å; L70-L73 PolarHBondContact O-N 2.99Å; L73-K75 VanDerWaalsContact C-N 3.34Å; L73-K75 PolarHBondContact O-N 2.94Å; L73-I76 WeakPolarHBondContact O-CB 3.21Å; L73-I76 PolarHBondContact O-N 3.28Å; L73-I76 VanDerWaalsContact O-N 3.15Å; L73-L77 HydrophobicContact CD1-CG 4.26Å; L73-L77 HydrophobicContact CG-CD1 4.17Å; L73-L77 HydrophobicContact CG-CG 4.38Å; L73-L77 WeakPolarHBondContact O-CG 3.36Å; L73-L77 PolarHBondContact O-N 2.85Å; L73-I112 HydrophobicContact CD2-CD1 3.6Å; L73-L136 HydrophobicContact CD1-CD2 4.26Å; L73-L136 HydrophobicContact CD2-CD2 4.11Å
74	G	96.3	Very high	95.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.2	-40.1	176.7	0	0	0	0	0	113.2	L70 T71 Q72 I76 L77 K78	L70-G74 PolarHBondContact O-N 2.97Å; T71-G74 PolarHBondContact O-N 3.22Å; Q72-G74 VanDerWaalsContact C-N 3.33Å; Q72-G74 PolarHBondContact O-N 2.98Å; G74-I76 VanDerWaalsContact C-N 3.34Å; G74-I76 PolarHBondContact O-N 3.25Å; G74-L77 PolarHBondContact O-N 3.23Å; G74-K78 WeakPolarHBondContact O-CB 3.36Å; G74-K78 VanDerWaalsContact O-CG 3.24Å; G74-K78 WeakPolarHBondContact O-CG 3.36Å; G74-K78 PolarHBondContact O-N 3.39Å
75	K	96.1	Very high	94.9	Very high	97 Å²	97	53.9 Å²	53.9	42%	0.422	28%	0.283	S	S	.	.	H	α-helix	trans	-60	-43.8	173.1	-72.1	176.7	-178.2	179.2	0	111.9	T71 Q72 L73 K78 Q79	T71-K75 WeakPolarHBondContact O-CG 3.36Å; T71-K75 PolarHBondContact O-N 3.36Å; T71-K75 VanDerWaalsContact O-N 3.1Å; Q72-K75 PolarHBondContact O-N 3.5Å; L73-K75 VanDerWaalsContact C-N 3.34Å; L73-K75 PolarHBondContact O-N 2.94Å; K75-K78 PolarHBondContact O-N 2.87Å; K75-Q79 WeakPolarHBondContact O-CG 3.43Å; K75-Q79 PolarHBondContact O-N 3.46Å
76	I	95.5	Very high	94.8	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-62.2	-50.6	177.5	-70.4	170.4	0	0	0	110.4	Q72 L73 G74 K78 Q79 H83 E86 L90 F139	Q72-I76 WeakPolarHBondContact O-CG1 3.44Å; Q72-I76 PolarHBondContact O-N 3.46Å; L73-I76 WeakPolarHBondContact O-CB 3.21Å; L73-I76 PolarHBondContact O-N 3.28Å; L73-I76 VanDerWaalsContact O-N 3.15Å; G74-I76 VanDerWaalsContact C-N 3.34Å; G74-I76 PolarHBondContact O-N 3.25Å; I76-K78 VanDerWaalsContact C-N 3.28Å; I76-K78 PolarHBondContact O-N 3.06Å; I76-Q79 WeakPolarHBondContact O-CB 3.45Å; I76-Q79 PolarHBondContact O-N 2.66Å; I76-H83 HydrophobicContact CB-CB 4.31Å; I76-H83 HydrophobicContact CG1-CB 4.5Å; I76-H83 HydrophobicContact CG2-CB 3.79Å; I76-E86 HydrophobicContact CG1-CB 3.82Å; I76-L90 HydrophobicContact CD1-CD2 3.79Å; I76-F139 HydrophobicContact CD1-CD2 4.16Å; I76-F139 HydrophobicContact CD1-CE2 3.81Å; I76-F139 HydrophobicContact CG2-CD2 4.05Å
77	L	96.1	Very high	94.7	Very high	3 Å²	3	54 Å²	54	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-59	-38.9	-179.7	-67.4	174.8	0	0	0	112.2	W8 V11 L12 W15 L73 G74 Q79 K80 A135	W8-L77 HydrophobicContact CZ3-CD2 4.28Å; V11-L77 HydrophobicContact CG1-CD1 4.35Å; V11-L77 HydrophobicContact CG1-CD2 4.12Å; L12-L77 HydrophobicContact CD2-CB 4.43Å; W15-L77 HydrophobicContact CD2-CD1 3.59Å; W15-L77 HydrophobicContact CE3-CD1 3.47Å; W15-L77 VanDerWaalsContact CE3-CD1 3.47Å; W15-L77 HydrophobicContact CG-CD1 4.2Å; W15-L77 HydrophobicContact CH2-CD1 4.11Å; W15-L77 HydrophobicContact CZ2-CD1 4.23Å; W15-L77 HydrophobicContact CZ3-CD1 3.74Å; L73-L77 HydrophobicContact CD1-CG 4.26Å; L73-L77 HydrophobicContact CG-CD1 4.17Å; L73-L77 HydrophobicContact CG-CG 4.38Å; L73-L77 WeakPolarHBondContact O-CG 3.36Å; L73-L77 PolarHBondContact O-N 2.85Å; G74-L77 PolarHBondContact O-N 3.23Å; L77-Q79 PolarHBondContact O-N 2.89Å; L77-K80 PolarHBondContact O-N 3.43Å; L77-A135 HydrophobicContact CD2-CB 3.91Å
78	K	96.1	Very high	94.5	Very high	99 Å²	99	56.9 Å²	56.9	43%	0.43	29%	0.293	S	S	.	.	H	α-helix	trans	-64.6	-20	177.7	-74.7	170.7	178.3	175.1	0	114	L12 E19 G74 K75 I76 K80	L12-K78 HydrophobicContact CD2-CG 3.94Å; E19-K78 WeakPolarHBondContact OE1-CE 3.37Å; E19-K78 IonicContact OE1-NZ 2.63Å; E19-K78 PolarHBondContact OE1-NZ 3.11Å; E19-K78 WeakPolarHBondContact OE2-CE 3.43Å; E19-K78 IonicContact OE2-NZ 2.65Å; E19-K78 PolarHBondContact OE2-NZ 3.3Å; G74-K78 WeakPolarHBondContact O-CB 3.36Å; G74-K78 VanDerWaalsContact O-CG 3.24Å; G74-K78 WeakPolarHBondContact O-CG 3.36Å; G74-K78 PolarHBondContact O-N 3.39Å; K75-K78 PolarHBondContact O-N 2.87Å; I76-K78 VanDerWaalsContact C-N 3.28Å; I76-K78 PolarHBondContact O-N 3.06Å; K78-K80 PolarHBondContact O-N 2.87Å
79	Q	96.1	Very high	94.4	Very high	85 Å²	85	55.7 Å²	55.7	40%	0.397	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-4.4	174.2	-57.6	-53.5	-46.9	0	0	113.5	K75 I76 L77 G81 K82 H83 E86	K75-Q79 WeakPolarHBondContact O-CG 3.43Å; K75-Q79 PolarHBondContact O-N 3.46Å; I76-Q79 WeakPolarHBondContact O-CB 3.45Å; I76-Q79 PolarHBondContact O-N 2.66Å; L77-Q79 PolarHBondContact O-N 2.89Å; Q79-G81 VanDerWaalsContact C-N 3.26Å; Q79-G81 PolarHBondContact O-N 3.45Å; Q79-K82 WeakPolarHBondContact O-CB 3.16Å; Q79-K82 PolarHBondContact O-N 3.34Å; Q79-H83 HydrophobicContact CB-CB 3.86Å; Q79-H83 HydrophobicContact CG-CB 4.18Å; Q79-E86 HydrophobicContact CG-CG 4.39Å
80	K	94.8	Very high	94.4	Very high	83 Å²	83	55.3 Å²	55.3	36%	0.361	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	42	175.3	-59.5	178.6	58.6	178.6	0	113.5	D5 W8 L12 L77 K78	D5-K80 WeakPolarHBondContact OD1-CE 3.44Å; D5-K80 IonicContact OD1-NZ 2.72Å; D5-K80 PolarHBondContact OD1-NZ 2.81Å; W8-K80 HydrophobicContact CB-CD 4.25Å; W8-K80 HydrophobicContact CB-CG 4.15Å; W8-K80 HydrophobicContact CD2-CB 3.79Å; W8-K80 HydrophobicContact CD2-CG 3.95Å; W8-K80 HydrophobicContact CE3-CB 4.38Å; W8-K80 HydrophobicContact CE3-CG 4.29Å; W8-K80 HydrophobicContact CG-CB 3.9Å; W8-K80 HydrophobicContact CG-CD 4.33Å; W8-K80 HydrophobicContact CG-CG 3.87Å; W8-K80 HydrophobicContact CZ2-CB 4.41Å; W8-K80 PolarHBondContact NE1-O 2.81Å; L12-K80 HydrophobicContact CD1-CD 4.4Å; L12-K80 HydrophobicContact CD1-CG 4.25Å; L77-K80 PolarHBondContact O-N 3.43Å; K78-K80 PolarHBondContact O-N 2.87Å
81	G	90.9	Very high	94.3	Very high	30 Å²	30	55.3 Å²	55.3	31%	0.309	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.4	-10.2	-179	0	0	0	0	0	115.2	W8 Q79 H83	W8-G81 VanDerWaalsContact CZ2-N 3.33Å; Q79-G81 VanDerWaalsContact C-N 3.26Å; Q79-G81 PolarHBondContact O-N 3.45Å; G81-H83 PolarHBondContact O-N 3.49Å
82	K	92.3	Very high	94.2	Very high	183 Å²	183	57.3 Å²	57.3	80%	0.796	29%	0.289	S	S	*	.			trans	-91.3	41.8	173	-59.5	179.2	-177.1	177.4	0	111.4	Q79	Q79-K82 WeakPolarHBondContact O-CB 3.16Å; Q79-K82 PolarHBondContact O-N 3.34Å
83	H	93.6	Very high	94.1	Very high	6 Å²	6	58 Å²	58	3%	0.028	30%	0.296	C	S	.	.			trans	-96.9	14.3	-167.3	47.9	-122.5	0	0	0	115.2	I76 Q79 G81 A85 E86 L87 D142	I76-H83 HydrophobicContact CB-CB 4.31Å; I76-H83 HydrophobicContact CG1-CB 4.5Å; I76-H83 HydrophobicContact CG2-CB 3.79Å; Q79-H83 HydrophobicContact CB-CB 3.86Å; Q79-H83 HydrophobicContact CG-CB 4.18Å; G81-H83 PolarHBondContact O-N 3.49Å; H83-A85 VanDerWaalsContact C-N 3.3Å; H83-A85 PolarHBondContact O-N 3Å; H83-E86 PolarHBondContact O-N 3.38Å; H83-E86 VanDerWaalsContact O-N 3.13Å; H83-L87 WeakPolarHBondContact O-CB 3.3Å; H83-L87 PolarHBondContact O-N 2.89Å; H83-D142 IonicContact CD2-OD2 3.75Å; H83-D142 IonicContact CE1-OD2 3.53Å; H83-D142 IonicContact NE2-OD2 2.7Å; H83-D142 PolarHBondContact NE2-OD2 3.36Å
84	E	91.6	Very high	94.1	Very high	119 Å²	119	59.7 Å²	59.7	56%	0.556	30%	0.303	S	S	*	.	H	α-helix	trans	-55.9	-42.7	-173.9	-175.4	173.4	-169.1	0	0	113.1	E86 L87 K88 K146	E84-E86 VanDerWaalsContact C-N 3.34Å; E84-E86 PolarHBondContact O-N 3.34Å; E84-L87 PolarHBondContact O-N 3.43Å; E84-K88 WeakPolarHBondContact O-CB 3.37Å; E84-K88 PolarHBondContact O-N 3.25Å; E84-K146 WeakPolarHBondContact OE1-CE 3.28Å; E84-K146 IonicContact OE1-NZ 2.82Å; E84-K146 PolarHBondContact OE1-NZ 3.38Å
85	A	92.3	Very high	94	Very high	85 Å²	85	59.7 Å²	59.7	70%	0.702	30%	0.303	S	S	*	.	H	α-helix	trans	-63.3	-37.9	-179.9	0	0	0	0	0	113	H83 P89	H83-A85 VanDerWaalsContact C-N 3.3Å; H83-A85 PolarHBondContact O-N 3Å; A85-P89 WeakPolarHBondContact O-CD 3.29Å
86	E	92.8	Very high	93.8	Very high	59 Å²	59	58.3 Å²	58.3	28%	0.276	30%	0.303	S	S	.	.	H	α-helix	trans	-79.4	-31.8	178.1	-65.9	-62.6	156.1	0	0	112.2	Q72 I76 Q79 H83 E84	Q72-E86 PolarHBondContact NE2-O 3.06Å; Q72-E86 PolarHBondContact NE2-OE2 3.3Å; I76-E86 HydrophobicContact CG1-CB 3.82Å; Q79-E86 HydrophobicContact CG-CG 4.39Å; H83-E86 PolarHBondContact O-N 3.38Å; H83-E86 VanDerWaalsContact O-N 3.13Å; E84-E86 VanDerWaalsContact C-N 3.34Å; E84-E86 PolarHBondContact O-N 3.34Å
87	L	92.9	Very high	93.7	Very high	2 Å²	2	65.8 Å²	65.8	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-78.9	-38	-176.4	-171.4	149.6	0	0	0	111.8	H83 E84 L90 A91 F139 D142 M143 K146	H83-L87 WeakPolarHBondContact O-CB 3.3Å; H83-L87 PolarHBondContact O-N 2.89Å; E84-L87 PolarHBondContact O-N 3.43Å; L87-L90 WeakPolarHBondContact O-CB 3.43Å; L87-L90 PolarHBondContact O-N 3.05Å; L87-L90 VanDerWaalsContact O-N 3.16Å; L87-A91 HydrophobicContact CD2-CB 4.02Å; L87-A91 WeakPolarHBondContact O-CB 3.39Å; L87-A91 PolarHBondContact O-N 3.34Å; L87-F139 HydrophobicContact CD1-CD2 4.12Å; L87-F139 HydrophobicContact CD1-CE2 4.47Å; L87-D142 HydrophobicContact CD1-CB 3.54Å; L87-D142 HydrophobicContact CD2-CB 4.49Å; L87-M143 HydrophobicContact CD1-CG 4.2Å; L87-M143 HydrophobicContact CD1-SD 4.48Å; L87-M143 HydrophobicContact CD2-CG 4.42Å; L87-M143 HydrophobicContact CD2-SD 4.02Å; L87-M143 HydrophobicContact CG-CG 4.26Å; L87-M143 HydrophobicContact CG-SD 3.91Å; L87-K146 HydrophobicContact CD2-CB 4.11Å; L87-K146 HydrophobicContact CD2-CG 3.45Å; L87-K146 VanDerWaalsContact CD2-CG 3.45Å
88	K	93.4	Very high	93.5	Very high	104 Å²	104	69.3 Å²	69.3	45%	0.452	35%	0.352	S	S	.	.	H	α-helix	trans	-53.3	-52.5	-177.5	-171.9	175.9	-176.7	174.9	0	114.4	E84 L90 A91 Q92 F150	E84-K88 WeakPolarHBondContact O-CB 3.37Å; E84-K88 PolarHBondContact O-N 3.25Å; K88-L90 VanDerWaalsContact C-N 3.3Å; K88-L90 PolarHBondContact O-N 2.92Å; K88-A91 PolarHBondContact O-N 3.45Å; K88-Q92 WeakPolarHBondContact O-CB 3.33Å; K88-Q92 PolarHBondContact O-N 3.38Å; K88-F150 HydrophobicContact CG-CZ 4.15Å
89	P	93.7	Very high	93.3	Very high	65 Å²	65	69.1 Å²	69.1	42%	0.422	35%	0.351	S	S	.	.	H	α-helix	trans	-65.9	-33.7	179	25.9	-34.4	0	0	0	112.4	A85 T93	A85-P89 WeakPolarHBondContact O-CD 3.29Å; P89-T93 WeakPolarHBondContact O-CG2 3.47Å; P89-T93 PolarHBondContact O-N 3.49Å; P89-T93 VanDerWaalsContact O-N 3.13Å; P89-T93 PolarHBondContact O-OG1 3.16Å; P89-T93 VanDerWaalsContact O-OG1 3.08Å
90	L	94	Very high	93.2	Very high	33 Å²	33	65.8 Å²	65.8	17%	0.173	34%	0.336	C	S	.	.	H	α-helix	trans	-65.3	-49.8	175.8	-171.9	71.2	0	0	0	110.7	Q72 I76 L87 K88 Q92 T93 H94 F139 M143	Q72-L90 HydrophobicContact CG-CD1 4.26Å; I76-L90 HydrophobicContact CD1-CD2 3.79Å; L87-L90 WeakPolarHBondContact O-CB 3.43Å; L87-L90 PolarHBondContact O-N 3.05Å; L87-L90 VanDerWaalsContact O-N 3.16Å; K88-L90 VanDerWaalsContact C-N 3.3Å; K88-L90 PolarHBondContact O-N 2.92Å; L90-Q92 VanDerWaalsContact C-N 3.34Å; L90-Q92 PolarHBondContact O-N 2.95Å; L90-T93 PolarHBondContact O-N 3.22Å; L90-T93 PolarHBondContact O-OG1 2.95Å; L90-H94 WeakPolarHBondContact CD1-CE1 3.34Å; L90-H94 WeakPolarHBondContact O-CB 3.46Å; L90-H94 PolarHBondContact O-N 3.49Å; L90-H94 PolarHBondContact O-ND1 2.9Å; L90-F139 HydrophobicContact CD2-CE2 3.84Å; L90-F139 HydrophobicContact CD2-CZ 3.95Å; L90-M143 HydrophobicContact CD2-CE 4.47Å; L90-M143 HydrophobicContact CD2-SD 4.22Å; L90-M143 HydrophobicContact CG-CE 4.33Å; L90-M143 HydrophobicContact CG-SD 4.38Å
91	A	94.2	Very high	93.1	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.4	-42.8	177.7	0	0	0	0	0	112	L87 K88 T93 H94 A95 M143 K146 Y147 F150	L87-A91 HydrophobicContact CD2-CB 4.02Å; L87-A91 WeakPolarHBondContact O-CB 3.39Å; L87-A91 PolarHBondContact O-N 3.34Å; K88-A91 PolarHBondContact O-N 3.45Å; A91-T93 PolarHBondContact O-N 2.97Å; A91-H94 PolarHBondContact O-N 2.87Å; A91-A95 WeakPolarHBondContact O-CB 3.39Å; A91-A95 PolarHBondContact O-N 2.97Å; A91-M143 HydrophobicContact CB-CE 4.28Å; A91-M143 HydrophobicContact CB-SD 3.72Å; A91-K146 HydrophobicContact CB-CB 3.53Å; A91-K146 HydrophobicContact CB-CG 4.27Å; A91-Y147 HydrophobicContact CB-CD1 4.25Å; A91-Y147 HydrophobicContact CB-CE1 4.31Å; A91-Y147 WeakPolarHBondContact O-CE1 3.38Å; A91-F150 HydrophobicContact CB-CD2 4.44Å; A91-F150 HydrophobicContact CB-CE2 3.83Å
92	Q	94.1	Very high	93.2	Very high	95 Å²	95	62.8 Å²	62.8	44%	0.444	32%	0.318	S	S	.	.	H	α-helix	trans	-60	-50	178.4	-173.8	179.4	2.2	0	0	111.2	K88 L90 H94 A95 T96 F150	K88-Q92 WeakPolarHBondContact O-CB 3.33Å; K88-Q92 PolarHBondContact O-N 3.38Å; L90-Q92 VanDerWaalsContact C-N 3.34Å; L90-Q92 PolarHBondContact O-N 2.95Å; Q92-H94 PolarHBondContact O-N 3.45Å; Q92-A95 PolarHBondContact O-N 3.41Å; Q92-T96 HydrophobicContact CG-CG2 4.47Å; Q92-T96 WeakPolarHBondContact O-CB 3.4Å; Q92-T96 WeakPolarHBondContact O-CG2 3.42Å; Q92-T96 PolarHBondContact O-N 3.43Å; Q92-T96 PolarHBondContact O-OG1 2.9Å; Q92-F150 VanDerWaalsContact CA-CE2 3.48Å; Q92-F150 HydrophobicContact CB-CD2 4.33Å; Q92-F150 HydrophobicContact CB-CE1 4.15Å; Q92-F150 HydrophobicContact CB-CE2 3.8Å; Q92-F150 HydrophobicContact CB-CZ 3.7Å; Q92-F150 HydrophobicContact CG-CD1 4.46Å; Q92-F150 HydrophobicContact CG-CE1 4.19Å; Q92-F150 HydrophobicContact CG-CZ 4.26Å; Q92-F150 VanDerWaalsContact N-CE2 3.31Å
93	T	94.3	Very high	93.3	Very high	57 Å²	57	58.8 Å²	58.8	35%	0.35	30%	0.301	S	S	.	.	H	α-helix	trans	-65.1	-41.5	-179.3	53.4	0	0	0	0	111.6	P89 L90 A91 K97 H98	P89-T93 WeakPolarHBondContact O-CG2 3.47Å; P89-T93 PolarHBondContact O-N 3.49Å; P89-T93 VanDerWaalsContact O-N 3.13Å; P89-T93 PolarHBondContact O-OG1 3.16Å; P89-T93 VanDerWaalsContact O-OG1 3.08Å; L90-T93 PolarHBondContact O-N 3.22Å; L90-T93 PolarHBondContact O-OG1 2.95Å; A91-T93 PolarHBondContact O-N 2.97Å; T93-K97 WeakPolarHBondContact O-CB 3.43Å; T93-K97 PolarHBondContact O-N 3.35Å; T93-H98 PolarHBondContact O-CD2 2.95Å; T93-H98 VanDerWaalsContact O-CD2 3.28Å; T93-H98 PolarHBondContact O-N 3.05Å
94	H	94.6	Very high	93.4	Very high	47 Å²	47	60.4 Å²	60.4	22%	0.218	31%	0.307	C	S	.	.	H	α-helix	trans	-70.6	-33.3	-179.5	-70.7	55	0	0	0	112.9	L90 A91 Q92 K99 I100 M143 Y147	L90-H94 WeakPolarHBondContact CD1-CE1 3.34Å; L90-H94 WeakPolarHBondContact O-CB 3.46Å; L90-H94 PolarHBondContact O-N 3.49Å; L90-H94 PolarHBondContact O-ND1 2.9Å; A91-H94 PolarHBondContact O-N 2.87Å; Q92-H94 PolarHBondContact O-N 3.45Å; H94-K99 WeakPolarHBondContact O-CA 3.38Å; H94-K99 PolarHBondContact O-N 2.62Å; H94-I100 HydrophobicContact CB-CB 4.34Å; H94-I100 HydrophobicContact CB-CG1 4.38Å; H94-I100 PolarHBondContact O-N 2.97Å; H94-M143 HydrophobicContact CB-CE 4.18Å; H94-Y147 HydrophobicContact CB-CE1 4.03Å; H94-Y147 WeakPolarHBondContact CB-OH 3.47Å
95	A	94.1	Very high	93.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-78.7	-44	176.5	0	0	0	0	0	113.7	A91 Q92 K99 Y147 F150 F152	A91-A95 WeakPolarHBondContact O-CB 3.39Å; A91-A95 PolarHBondContact O-N 2.97Å; Q92-A95 PolarHBondContact O-N 3.41Å; A95-K99 VanDerWaalsContact O-CD 3.3Å; A95-K99 WeakPolarHBondContact O-CD 3.42Å; A95-K99 WeakPolarHBondContact O-CE 3.2Å; A95-K99 PolarHBondContact O-NZ 3.49Å; A95-Y147 HydrophobicContact CB-CD1 3.65Å; A95-Y147 HydrophobicContact CB-CE1 3.86Å; A95-Y147 HydrophobicContact CB-CG 4.17Å; A95-F150 HydrophobicContact CB-CB 4.15Å; A95-F150 HydrophobicContact CB-CD2 4.25Å; A95-F152 HydrophobicContact CB-CB 3.77Å; A95-F152 HydrophobicContact CB-CD1 4.09Å; A95-F152 HydrophobicContact CB-CG 4.11Å
96	T	93.3	Very high	93.7	Very high	68 Å²	68	54.2 Å²	54.2	42%	0.417	26%	0.264	S	S	.	.	H	α-helix	trans	-95.1	-37.1	-168	63.5	0	0	0	0	113.3	Q92 K99 F150	Q92-T96 HydrophobicContact CG-CG2 4.47Å; Q92-T96 WeakPolarHBondContact O-CB 3.4Å; Q92-T96 WeakPolarHBondContact O-CG2 3.42Å; Q92-T96 PolarHBondContact O-N 3.43Å; Q92-T96 PolarHBondContact O-OG1 2.9Å; T96-K99 VanDerWaalsContact O-CE 3.22Å; T96-K99 WeakPolarHBondContact O-CE 3.32Å; T96-K99 PolarHBondContact O-NZ 2.88Å; T96-F150 HydrophobicContact CG2-CB 4.21Å
97	K	92.3	Very high	93.9	Very high	159 Å²	159	52.5 Å²	52.5	69%	0.691	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-54.6	-176.1	-177.7	178.1	-179.2	177.3	0	112	T93	T93-K97 WeakPolarHBondContact O-CB 3.43Å; T93-K97 PolarHBondContact O-N 3.35Å
98	H	92.1	Very high	94.1	Very high	77 Å²	77	53.6 Å²	53.6	36%	0.356	26%	0.262	S	S	.	.	S	Bend	trans	-87	-17.9	-172.1	-56.9	-62.6	0	0	0	113.5	T93 I100	T93-H98 PolarHBondContact O-CD2 2.95Å; T93-H98 VanDerWaalsContact O-CD2 3.28Å; T93-H98 PolarHBondContact O-N 3.05Å; H98-I100 VanDerWaalsContact C-N 3.27Å; H98-I100 HydrophobicContact CB-CD1 3.92Å; H98-I100 HydrophobicContact CB-CG1 3.62Å; H98-I100 PolarHBondContact O-N 3.28Å
99	K	91.5	Very high	94.2	Very high	95 Å²	95	48.8 Å²	48.8	41%	0.413	24%	0.241	S	C	.	.			trans	52.3	45.5	179.5	-58.7	-73	169.5	-160.9	0	111.8	H94 A95 T96 P101 F152	H94-K99 WeakPolarHBondContact O-CA 3.38Å; H94-K99 PolarHBondContact O-N 2.62Å; A95-K99 VanDerWaalsContact O-CD 3.3Å; A95-K99 WeakPolarHBondContact O-CD 3.42Å; A95-K99 WeakPolarHBondContact O-CE 3.2Å; A95-K99 PolarHBondContact O-NZ 3.49Å; T96-K99 VanDerWaalsContact O-CE 3.22Å; T96-K99 WeakPolarHBondContact O-CE 3.32Å; T96-K99 PolarHBondContact O-NZ 2.88Å; K99-P101 WeakPolarHBondContact O-CD 3.32Å; K99-F152 HydrophobicContact CB-CE2 4.34Å; K99-F152 HydrophobicContact CD-CD2 4.1Å; K99-F152 HydrophobicContact CD-CE2 3.89Å
100	I	93.9	Very high	94.4	Very high	15 Å²	15	50.1 Å²	50.1	8%	0.077	24%	0.242	C	C	.	.			trans	-83.4	115.3	-178	-54.7	-58.4	0	0	0	108.9	R43 H94 H98 Y104 L105 Y147 F152	R43-I100 HydrophobicContact CB-CD1 3.58Å; R43-I100 HydrophobicContact CG-CD1 3.75Å; H94-I100 HydrophobicContact CB-CB 4.34Å; H94-I100 HydrophobicContact CB-CG1 4.38Å; H94-I100 PolarHBondContact O-N 2.97Å; H98-I100 VanDerWaalsContact C-N 3.27Å; H98-I100 HydrophobicContact CB-CD1 3.92Å; H98-I100 HydrophobicContact CB-CG1 3.62Å; H98-I100 PolarHBondContact O-N 3.28Å; I100-Y104 HydrophobicContact CG2-CD2 4.37Å; I100-L105 HydrophobicContact CG2-CD2 4.3Å; I100-Y147 WeakPolarHBondContact O-CE2 3.49Å; I100-Y147 PolarHBondContact O-OH 3.04Å; I100-F152 WeakPolarHBondContact O-CE1 3.46Å
101	P	93.6	Very high	94.5	Very high	22 Å²	22	48.6 Å²	48.6	14%	0.143	23%	0.233	C	C	.	.			trans	-67.1	154.4	177.4	29.5	-34.8	0	0	0	111	K99 K103 Y104 G154	K99-P101 WeakPolarHBondContact O-CD 3.32Å; P101-K103 PolarHBondContact O-N 3.02Å; P101-K103 VanDerWaalsContact O-N 3.11Å; P101-Y104 HydrophobicContact CG-CD1 3.72Å; P101-Y104 HydrophobicContact CG-CD2 4Å; P101-Y104 HydrophobicContact CG-CE1 4Å; P101-Y104 HydrophobicContact CG-CE2 4.25Å; P101-Y104 HydrophobicContact CG-CG 3.71Å; P101-Y104 PolarHBondContact O-N 3.25Å; P101-G154 WeakPolarHBondContact CA-OXT 3.17Å; P101-G154 VanDerWaalsContact CB-OXT 3.26Å; P101-G154 WeakPolarHBondContact CB-OXT 3.47Å
102	V	93.2	Very high	94.7	Very high	27 Å²	27	48.8 Å²	48.8	16%	0.164	23%	0.234	C	C	.	.	H	α-helix	trans	-56.4	-31.2	175.7	172.4	0	0	0	0	111.1	Y104 L105 E106 A144 Y147 G154	V102-Y104 PolarHBondContact O-N 3.35Å; V102-L105 WeakPolarHBondContact O-CA 3.38Å; V102-L105 VanDerWaalsContact O-CB 3.31Å; V102-L105 WeakPolarHBondContact O-CB 3.37Å; V102-L105 PolarHBondContact O-N 3.5Å; V102-E106 PolarHBondContact O-N 2.93Å; V102-E106 VanDerWaalsContact O-N 3.15Å; V102-A144 HydrophobicContact CG1-CB 4.47Å; V102-A144 HydrophobicContact CG2-CB 3.68Å; V102-Y147 HydrophobicContact CG2-CD2 3.85Å; V102-Y147 HydrophobicContact CG2-CE2 4.01Å; V102-G154 WeakPolarHBondContact CG2-O 3.45Å; V102-G154 PolarHBondContact N-O 2.72Å; V102-G154 PolarHBondContact N-OXT 2.82Å
103	K	94.4	Very high	94.9	Very high	99 Å²	99	45.6 Å²	45.6	43%	0.43	22%	0.22	S	C	.	.	H	α-helix	trans	-56.1	-35.8	176.3	-172.5	58	-176.9	167.6	0	113.7	P101 L105 E106 F107	P101-K103 PolarHBondContact O-N 3.02Å; P101-K103 VanDerWaalsContact O-N 3.11Å; K103-L105 VanDerWaalsContact C-N 3.33Å; K103-E106 WeakPolarHBondContact CD-OE2 3.41Å; K103-E106 IonicContact NZ-OE2 2.63Å; K103-E106 PolarHBondContact NZ-OE2 3.46Å; K103-E106 WeakPolarHBondContact O-CB 3.33Å; K103-E106 PolarHBondContact O-N 2.82Å; K103-F107 HydrophobicContact CD-CE1 4.24Å; K103-F107 HydrophobicContact CD-CZ 4.21Å; K103-F107 VanDerWaalsContact CE-CE1 3.42Å; K103-F107 HydrophobicContact CG-CE1 4.37Å; K103-F107 HydrophobicContact CG-CE2 4.11Å; K103-F107 HydrophobicContact CG-CZ 3.88Å; K103-F107 PolarHBondContact O-N 2.99Å
104	Y	95.2	Very high	95	Very high	41 Å²	41	46.6 Å²	46.6	16%	0.161	22%	0.22	C	C	.	.	H	α-helix	trans	-75.9	-26.8	178.7	-71.5	8.3	0	0	0	111.8	E39 T40 R43 I100 P101 V102 E106 F107 I108	E39-Y104 HydrophobicContact CG-CE1 3.84Å; E39-Y104 WeakPolarHBondContact CG-OH 3.36Å; E39-Y104 PolarHBondContact O-OH 3.35Å; T40-Y104 HydrophobicContact CG2-CD1 4.07Å; T40-Y104 HydrophobicContact CG2-CD2 3.9Å; T40-Y104 HydrophobicContact CG2-CE1 4.29Å; T40-Y104 HydrophobicContact CG2-CE2 4.12Å; T40-Y104 HydrophobicContact CG2-CG 3.89Å; R43-Y104 HydrophobicContact CG-CD2 4.09Å; R43-Y104 HydrophobicContact CG-CE2 3.65Å; I100-Y104 HydrophobicContact CG2-CD2 4.37Å; P101-Y104 HydrophobicContact CG-CD1 3.72Å; P101-Y104 HydrophobicContact CG-CD2 4Å; P101-Y104 HydrophobicContact CG-CE1 4Å; P101-Y104 HydrophobicContact CG-CE2 4.25Å; P101-Y104 HydrophobicContact CG-CG 3.71Å; P101-Y104 PolarHBondContact O-N 3.25Å; V102-Y104 PolarHBondContact O-N 3.35Å; Y104-E106 VanDerWaalsContact C-N 3.28Å; Y104-F107 AromaticContact CD1-CD2 3.8Å; Y104-F107 HydrophobicContact CD1-CD2 3.8Å; Y104-F107 AromaticContact CD1-CE2 3.83Å; Y104-F107 HydrophobicContact CD1-CE2 3.83Å; Y104-F107 HydrophobicContact CE1-CD2 4.39Å; Y104-F107 HydrophobicContact CE1-CE2 4.07Å; Y104-F107 PolarHBondContact O-N 3.33Å; Y104-I108 PolarHBondContact O-N 3.08Å; Y104-I108 VanDerWaalsContact O-N 3.11Å
105	L	95	Very high	95.1	Very high	11 Å²	11	44.5 Å²	44.5	6%	0.058	21%	0.21	C	C	.	.	H	α-helix	trans	-67.6	-31.6	170.6	-54.6	179.5	0	0	0	111.2	I100 V102 K103 I108 S109 R140 M143	I100-L105 HydrophobicContact CG2-CD2 4.3Å; V102-L105 WeakPolarHBondContact O-CA 3.38Å; V102-L105 VanDerWaalsContact O-CB 3.31Å; V102-L105 WeakPolarHBondContact O-CB 3.37Å; V102-L105 PolarHBondContact O-N 3.5Å; K103-L105 VanDerWaalsContact C-N 3.33Å; L105-I108 WeakPolarHBondContact O-CG2 3.22Å; L105-S109 WeakPolarHBondContact O-CB 3.25Å; L105-S109 PolarHBondContact O-N 3.13Å; L105-S109 VanDerWaalsContact O-N 3.1Å; L105-S109 PolarHBondContact O-OG 3.35Å; L105-R140 VanDerWaalsContact C-CD 3.47Å; L105-R140 HydrophobicContact CB-CG 3.92Å; L105-R140 WeakPolarHBondContact O-CD 3.27Å; L105-M143 HydrophobicContact CD1-CB 3.82Å; L105-M143 HydrophobicContact CD1-CE 3.9Å; L105-M143 HydrophobicContact CD1-CG 4.14Å
106	E	95.4	Very high	95.2	Very high	62 Å²	62	44.5 Å²	44.5	29%	0.29	21%	0.21	S	C	.	.	H	α-helix	trans	-64.6	-49.3	171.3	-63.5	174.4	-177.4	0	0	111.1	V102 K103 Y104 I108 S109 E110	V102-E106 PolarHBondContact O-N 2.93Å; V102-E106 VanDerWaalsContact O-N 3.15Å; K103-E106 WeakPolarHBondContact CD-OE2 3.41Å; K103-E106 IonicContact NZ-OE2 2.63Å; K103-E106 PolarHBondContact NZ-OE2 3.46Å; K103-E106 WeakPolarHBondContact O-CB 3.33Å; K103-E106 PolarHBondContact O-N 2.82Å; Y104-E106 VanDerWaalsContact C-N 3.28Å; E106-I108 PolarHBondContact O-N 3.41Å; E106-S109 WeakPolarHBondContact O-CA 3.1Å; E106-S109 VanDerWaalsContact O-CB 3.32Å; E106-S109 WeakPolarHBondContact O-CB 3.1Å; E106-S109 PolarHBondContact O-N 3.47Å; E106-E110 PolarHBondContact O-N 3.44Å
107	F	97.2	Very high	95.4	Very high	23 Å²	23	42.4 Å²	42.4	10%	0.101	20%	0.2	C	C	.	.	H	α-helix	trans	-56.5	-50.2	179	-63.8	-27.1	0	0	0	112.6	L33 H37 E39 T40 K103 Y104 S109 E110 V111	L33-F107 HydrophobicContact CD1-CB 3.79Å; H37-F107 HydrophobicContact CB-CD2 3.96Å; H37-F107 HydrophobicContact CB-CE2 4.36Å; H37-F107 HydrophobicContact CB-CG 4.38Å; H37-F107 AromaticContact CD2-CG 3.72Å; H37-F107 AromaticContact CE1-CD1 3.29Å; H37-F107 WeakPolarHBondContact CE1-CD1 3.35Å; H37-F107 AromaticContact CE1-CE1 3.41Å; H37-F107 VanDerWaalsContact CE1-CE1 3.41Å; H37-F107 WeakPolarHBondContact CE1-CE1 3.35Å; H37-F107 AromaticContact CE1-CG 3.7Å; H37-F107 AromaticContact CE1-CZ 3.93Å; H37-F107 AromaticContact CG-CD2 3.65Å; H37-F107 AromaticContact CG-CG 3.65Å; H37-F107 AromaticContact ND1-CD1 3.61Å; H37-F107 AromaticContact ND1-CD2 3.66Å; H37-F107 AromaticContact ND1-CE1 3.59Å; H37-F107 AromaticContact ND1-CE2 3.65Å; H37-F107 AromaticContact ND1-CG 3.64Å; H37-F107 AromaticContact ND1-CZ 3.61Å; H37-F107 AromaticContact NE2-CD1 3.55Å; H37-F107 AromaticContact NE2-CG 3.74Å; E39-F107 VanDerWaalsContact OE1-CE2 3.25Å; E39-F107 WeakPolarHBondContact OE1-CE2 3.49Å; T40-F107 HydrophobicContact CG2-CD2 3.96Å; K103-F107 HydrophobicContact CD-CE1 4.24Å; K103-F107 HydrophobicContact CD-CZ 4.21Å; K103-F107 VanDerWaalsContact CE-CE1 3.42Å; K103-F107 HydrophobicContact CG-CE1 4.37Å; K103-F107 HydrophobicContact CG-CE2 4.11Å; K103-F107 HydrophobicContact CG-CZ 3.88Å; K103-F107 PolarHBondContact O-N 2.99Å; Y104-F107 AromaticContact CD1-CD2 3.8Å; Y104-F107 HydrophobicContact CD1-CD2 3.8Å; Y104-F107 AromaticContact CD1-CE2 3.83Å; Y104-F107 HydrophobicContact CD1-CE2 3.83Å; Y104-F107 HydrophobicContact CE1-CD2 4.39Å; Y104-F107 HydrophobicContact CE1-CE2 4.07Å; Y104-F107 PolarHBondContact O-N 3.33Å; F107-S109 VanDerWaalsContact C-N 3.27Å; F107-S109 PolarHBondContact O-N 3.08Å; F107-E110 PolarHBondContact O-N 3.44Å; F107-V111 WeakPolarHBondContact O-CG2 3.16Å; F107-V111 PolarHBondContact O-N 2.65Å
108	I	96.2	Very high	95.5	Very high	26 Å²	26	40.5 Å²	40.5	13%	0.133	19%	0.193	C	C	.	.	H	α-helix	trans	-65.2	-33.1	177.7	-164.4	171.7	0	0	0	111.8	I29 L30 L33 V69 Y104 L105 E106 V111 I112	I29-I108 HydrophobicContact CG2-CG1 4.13Å; L30-I108 HydrophobicContact CD2-CD1 4.47Å; L33-I108 HydrophobicContact CD1-CB 4.22Å; L33-I108 HydrophobicContact CD2-CB 4.12Å; L33-I108 HydrophobicContact CD2-CD1 4.14Å; L33-I108 HydrophobicContact CD2-CG1 4.15Å; V69-I108 HydrophobicContact CG1-CD1 4.17Å; Y104-I108 PolarHBondContact O-N 3.08Å; Y104-I108 VanDerWaalsContact O-N 3.11Å; L105-I108 WeakPolarHBondContact O-CG2 3.22Å; E106-I108 PolarHBondContact O-N 3.41Å; I108-V111 PolarHBondContact O-N 3.42Å; I108-I112 HydrophobicContact CG1-CD1 4.09Å; I108-I112 HydrophobicContact CG1-CG1 4.36Å; I108-I112 WeakPolarHBondContact O-CB 3.36Å; I108-I112 WeakPolarHBondContact O-CD1 3.21Å; I108-I112 WeakPolarHBondContact O-CG1 3.46Å; I108-I112 PolarHBondContact O-N 3.26Å
109	S	96.7	Very high	95.6	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-62.6	-44.5	175.7	-61.9	0	0	0	0	111.8	L105 E106 F107 I112 I113 R140	L105-S109 WeakPolarHBondContact O-CB 3.25Å; L105-S109 PolarHBondContact O-N 3.13Å; L105-S109 VanDerWaalsContact O-N 3.1Å; L105-S109 PolarHBondContact O-OG 3.35Å; E106-S109 WeakPolarHBondContact O-CA 3.1Å; E106-S109 VanDerWaalsContact O-CB 3.32Å; E106-S109 WeakPolarHBondContact O-CB 3.1Å; E106-S109 PolarHBondContact O-N 3.47Å; F107-S109 VanDerWaalsContact C-N 3.27Å; F107-S109 PolarHBondContact O-N 3.08Å; S109-I112 PolarHBondContact O-N 3.45Å; S109-I113 WeakPolarHBondContact O-CG1 3.41Å; S109-I113 PolarHBondContact O-N 3.29Å; S109-R140 VanDerWaalsContact CB-NH1 3.27Å; S109-R140 PolarHBondContact OG-NH1 3.27Å
110	E	96.7	Very high	95.8	Very high	93 Å²	93	38.4 Å²	38.4	44%	0.435	18%	0.184	S	C	.	.	H	α-helix	trans	-64.2	-43.1	177	-69.7	177.6	-169.8	0	0	111.5	E106 F107 I113 K114	E106-E110 PolarHBondContact O-N 3.44Å; F107-E110 PolarHBondContact O-N 3.44Å; E110-I113 PolarHBondContact O-N 2.72Å; E110-K114 WeakPolarHBondContact O-CG 3.42Å; E110-K114 PolarHBondContact O-N 3.28Å
111	V	97.6	Very high	95.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.9	-40.3	178	173.1	0	0	0	0	111.8	I29 R32 L33 F107 I108 I113 K114 V115	I29-V111 HydrophobicContact CB-CG1 4.49Å; I29-V111 HydrophobicContact CG2-CG1 4.14Å; I29-V111 WeakPolarHBondContact O-CG1 3.44Å; R32-V111 HydrophobicContact CB-CG1 3.64Å; R32-V111 HydrophobicContact CG-CG1 3.76Å; R32-V111 HydrophobicContact CG-CG2 4.38Å; L33-V111 HydrophobicContact CD1-CG2 4.43Å; F107-V111 WeakPolarHBondContact O-CG2 3.16Å; F107-V111 PolarHBondContact O-N 2.65Å; I108-V111 PolarHBondContact O-N 3.42Å; V111-I113 VanDerWaalsContact C-N 3.33Å; V111-I113 PolarHBondContact O-N 2.63Å; V111-K114 PolarHBondContact O-N 3.4Å; V111-V115 HydrophobicContact CG1-CG2 4.13Å; V111-V115 WeakPolarHBondContact O-CB 3.44Å; V111-V115 WeakPolarHBondContact O-CG2 3.35Å; V111-V115 PolarHBondContact O-N 3.45Å
112	I	97.3	Very high	95.7	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-56	-49.4	174.3	-73.6	160	0	0	0	110.2	I29 L73 I108 S109 V115 I116 L136	I29-I112 HydrophobicContact CD1-CG1 4.02Å; I29-I112 HydrophobicContact CG1-CG1 4.47Å; I29-I112 HydrophobicContact CG2-CG1 3.91Å; L73-I112 HydrophobicContact CD2-CD1 3.6Å; I108-I112 HydrophobicContact CG1-CD1 4.09Å; I108-I112 HydrophobicContact CG1-CG1 4.36Å; I108-I112 WeakPolarHBondContact O-CB 3.36Å; I108-I112 WeakPolarHBondContact O-CD1 3.21Å; I108-I112 WeakPolarHBondContact O-CG1 3.46Å; I108-I112 PolarHBondContact O-N 3.26Å; S109-I112 PolarHBondContact O-N 3.45Å; I112-V115 PolarHBondContact O-N 3.35Å; I112-I116 HydrophobicContact CG2-CD1 3.63Å; I112-I116 HydrophobicContact CG2-CG1 4.47Å; I112-I116 WeakPolarHBondContact O-CB 3.22Å; I112-I116 WeakPolarHBondContact O-CG1 3.37Å; I112-I116 PolarHBondContact O-N 2.92Å; I112-L136 HydrophobicContact CB-CD1 4.4Å; I112-L136 HydrophobicContact CD1-CD2 4.48Å; I112-L136 HydrophobicContact CG2-CD1 4.19Å
113	I	97.4	Very high	95.7	Very high	28 Å²	28	48 Å²	48	14%	0.144	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-47.2	-179.9	-65.4	168.4	0	0	0	110.5	S109 E110 V111 V115 I116 A117 F124 M132 K133 L136	S109-I113 WeakPolarHBondContact O-CG1 3.41Å; S109-I113 PolarHBondContact O-N 3.29Å; E110-I113 PolarHBondContact O-N 2.72Å; V111-I113 VanDerWaalsContact C-N 3.33Å; V111-I113 PolarHBondContact O-N 2.63Å; I113-V115 PolarHBondContact O-N 2.94Å; I113-I116 PolarHBondContact O-N 2.92Å; I113-A117 WeakPolarHBondContact O-CB 3.45Å; I113-A117 PolarHBondContact O-N 2.88Å; I113-F124 HydrophobicContact CG2-CE1 3.98Å; I113-F124 HydrophobicContact CG2-CZ 4.39Å; I113-M132 HydrophobicContact CG1-CG 4.1Å; I113-K133 HydrophobicContact CD1-CB 3.94Å; I113-K133 HydrophobicContact CD1-CG 4.28Å; I113-L136 HydrophobicContact CD1-CD1 4.1Å; I113-L136 HydrophobicContact CG1-CD1 3.92Å
114	K	96.8	Very high	95.7	Very high	78 Å²	78	43.4 Å²	43.4	34%	0.339	23%	0.233	S	C	.	.	H	α-helix	trans	-57.6	-50.6	178.5	-72.8	171	179.8	168.9	0	111.8	D36 E110 V111 I116 A117 E118	D36-K114 IonicContact OD2-NZ 3.96Å; D36-K114 PolarHBondContact OD2-NZ 2.87Å; E110-K114 WeakPolarHBondContact O-CG 3.42Å; E110-K114 PolarHBondContact O-N 3.28Å; V111-K114 PolarHBondContact O-N 3.4Å; K114-I116 PolarHBondContact O-N 3.23Å; K114-A117 PolarHBondContact O-N 3.39Å; K114-E118 WeakPolarHBondContact O-CG 3.45Å; K114-E118 PolarHBondContact O-N 3.42Å
115	V	97	Very high	95.7	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.024	24%	0.244	C	C	.	.	H	α-helix	trans	-66.5	-39.1	-176.6	172.4	0	0	0	0	111.8	A28 I29 R32 V111 I112 I113 A117 E118 K119	A28-V115 HydrophobicContact CB-CG1 4.02Å; I29-V115 HydrophobicContact CD1-CG1 4.47Å; I29-V115 HydrophobicContact CG1-CB 3.79Å; I29-V115 HydrophobicContact CG1-CG1 3.85Å; I29-V115 HydrophobicContact CG1-CG2 3.96Å; R32-V115 HydrophobicContact CB-CG2 4.29Å; R32-V115 HydrophobicContact CG-CG2 4.48Å; V111-V115 HydrophobicContact CG1-CG2 4.13Å; V111-V115 WeakPolarHBondContact O-CB 3.44Å; V111-V115 WeakPolarHBondContact O-CG2 3.35Å; V111-V115 PolarHBondContact O-N 3.45Å; I112-V115 PolarHBondContact O-N 3.35Å; I113-V115 PolarHBondContact O-N 2.94Å; V115-A117 VanDerWaalsContact C-N 3.35Å; V115-E118 PolarHBondContact O-N 3.3Å; V115-K119 HydrophobicContact CG1-CD 3.97Å; V115-K119 WeakPolarHBondContact O-CB 3.25Å; V115-K119 WeakPolarHBondContact O-CG 3.46Å; V115-K119 PolarHBondContact O-N 3.35Å
116	I	96.4	Very high	95.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.3	-41.2	175.1	-65.5	171.7	0	0	0	110.2	I14 W15 V18 I112 I113 K114 K119 H120 F124 M132	I14-I116 HydrophobicContact CD1-CG2 3.85Å; I14-I116 HydrophobicContact CG1-CG2 3.37Å; W15-I116 HydrophobicContact CZ3-CD1 4.46Å; V18-I116 HydrophobicContact CG2-CD1 3.77Å; V18-I116 HydrophobicContact CG2-CG1 3.84Å; I112-I116 HydrophobicContact CG2-CD1 3.63Å; I112-I116 HydrophobicContact CG2-CG1 4.47Å; I112-I116 WeakPolarHBondContact O-CB 3.22Å; I112-I116 WeakPolarHBondContact O-CG1 3.37Å; I112-I116 PolarHBondContact O-N 2.92Å; I113-I116 PolarHBondContact O-N 2.92Å; K114-I116 PolarHBondContact O-N 3.23Å; I116-K119 PolarHBondContact O-N 3.45Å; I116-H120 WeakPolarHBondContact O-CA 3.32Å; I116-H120 WeakPolarHBondContact O-CB 3.41Å; I116-H120 PolarHBondContact O-N 3Å; I116-F124 HydrophobicContact CB-CD1 4.08Å; I116-F124 HydrophobicContact CB-CE1 3.92Å; I116-F124 HydrophobicContact CB-CZ 4.47Å; I116-F124 HydrophobicContact CG2-CB 4.26Å; I116-F124 HydrophobicContact CG2-CD1 3.58Å; I116-F124 HydrophobicContact CG2-CD2 4.06Å; I116-F124 HydrophobicContact CG2-CE1 3.74Å; I116-F124 HydrophobicContact CG2-CE2 4.25Å; I116-F124 HydrophobicContact CG2-CG 3.73Å; I116-F124 HydrophobicContact CG2-CZ 4.09Å; I116-M132 HydrophobicContact CD1-CE 4.49Å
117	A	96.6	Very high	95.7	Very high	24 Å²	24	49 Å²	49	20%	0.198	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-39.5	176.9	0	0	0	0	0	112.8	I113 K114 V115 S121 F124	I113-A117 WeakPolarHBondContact O-CB 3.45Å; I113-A117 PolarHBondContact O-N 2.88Å; K114-A117 PolarHBondContact O-N 3.39Å; V115-A117 VanDerWaalsContact C-N 3.35Å; A117-S121 VanDerWaalsContact O-CA 3.26Å; A117-S121 WeakPolarHBondContact O-CA 3.5Å; A117-S121 VanDerWaalsContact O-CB 3.3Å; A117-S121 WeakPolarHBondContact O-CB 3.26Å; A117-S121 PolarHBondContact O-N 3.5Å; A117-F124 HydrophobicContact CB-CD1 3.84Å; A117-F124 HydrophobicContact CB-CE1 4.33Å
118	E	95.4	Very high	95.6	Very high	119 Å²	119	48.9 Å²	48.9	56%	0.556	29%	0.289	S	S	*	.	H	α-helix	trans	-66.8	-40.1	176.1	-72.1	171	-178.6	0	0	111.8	R32 K114 V115	R32-E118 IonicContact NH1-OE1 3.82Å; R32-E118 PolarHBondContact NH1-OE1 3.46Å; R32-E118 VanDerWaalsContact NH1-OE1 3.07Å; R32-E118 IonicContact NH1-OE2 3.07Å; K114-E118 WeakPolarHBondContact O-CG 3.45Å; K114-E118 PolarHBondContact O-N 3.42Å; V115-E118 PolarHBondContact O-N 3.3Å
119	K	95.1	Very high	95.6	Very high	97 Å²	97	51.1 Å²	51.1	42%	0.422	30%	0.299	S	S	.	.	H	α-helix	trans	-84.7	-30.7	-176.4	-75	178.3	168.2	-81.8	0	114.6	H25 V115 I116	H25-K119 VanDerWaalsContact CD2-CD 3.47Å; H25-K119 WeakPolarHBondContact CD2-CD 3.36Å; H25-K119 WeakPolarHBondContact NE2-CD 3.45Å; V115-K119 HydrophobicContact CG1-CD 3.97Å; V115-K119 WeakPolarHBondContact O-CB 3.25Å; V115-K119 WeakPolarHBondContact O-CG 3.46Å; V115-K119 PolarHBondContact O-N 3.35Å; I116-K119 PolarHBondContact O-N 3.45Å
120	H	95.1	Very high	95.6	Very high	31 Å²	31	53.2 Å²	53.2	14%	0.144	32%	0.317	C	S	.	.			trans	-129.4	40.5	-172.7	-58.3	-72.6	0	0	0	111.6	I14 H25 I116 A122 D123 F124	I14-H120 HydrophobicContact CD1-CB 3.65Å; H25-H120 AromaticContact CE1-NE2 3.44Å; H25-H120 PolarHBondContact CE1-NE2 3.37Å; H25-H120 AromaticContact NE2-CD2 3.63Å; H25-H120 AromaticContact NE2-CE1 3.88Å; H25-H120 AromaticContact NE2-NE2 2.85Å; H25-H120 PolarHBondContact NE2-NE2 3.25Å; I116-H120 WeakPolarHBondContact O-CA 3.32Å; I116-H120 WeakPolarHBondContact O-CB 3.41Å; I116-H120 PolarHBondContact O-N 3Å; H120-A122 PolarHBondContact O-N 2.95Å; H120-A122 VanDerWaalsContact O-N 3.1Å; H120-D123 PolarHBondContact O-N 3Å; H120-F124 WeakPolarHBondContact O-CB 3.23Å; H120-F124 PolarHBondContact O-N 3.42Å
121	S	92.3	Very high	95.6	Very high	93 Å²	93	48.8 Å²	48.8	65%	0.65	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-31.7	-176	57.7	0	0	0	0	113.9	A117 D123	A117-S121 VanDerWaalsContact O-CA 3.26Å; A117-S121 WeakPolarHBondContact O-CA 3.5Å; A117-S121 VanDerWaalsContact O-CB 3.3Å; A117-S121 WeakPolarHBondContact O-CB 3.26Å; A117-S121 PolarHBondContact O-N 3.5Å; S121-D123 VanDerWaalsContact C-N 3.32Å; S121-D123 PolarHBondContact O-N 3.29Å
122	A	93.6	Very high	95.6	Very high	93 Å²	93	48.8 Å²	48.8	77%	0.769	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-24.3	176.9	0	0	0	0	0	113.9	H120	H120-A122 PolarHBondContact O-N 2.95Å; H120-A122 VanDerWaalsContact O-N 3.1Å
123	D	91.9	Very high	95.6	Very high	79 Å²	79	54.7 Å²	54.7	42%	0.422	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-10.8	-172.7	-55.5	-92.7	0	0	0	113.4	I14 K17 H120 S121	I14-D123 HydrophobicContact CD1-CB 4.29Å; K17-D123 HydrophobicContact CD-CB 4.29Å; K17-D123 VanDerWaalsContact CE-CG 3.45Å; K17-D123 WeakPolarHBondContact CE-OD1 3.43Å; K17-D123 IonicContact NZ-OD1 2.72Å; K17-D123 PolarHBondContact NZ-OD1 3.41Å; K17-D123 IonicContact NZ-OD2 2.72Å; K17-D123 PolarHBondContact NZ-OD2 2.94Å; H120-D123 PolarHBondContact O-N 3Å; S121-D123 VanDerWaalsContact C-N 3.32Å; S121-D123 PolarHBondContact O-N 3.29Å
124	F	95.9	Very high	95.6	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.009	34%	0.336	C	S	.	.			trans	-113.1	59	-177.2	-160.2	-131.2	0	0	0	111.5	I14 I113 I116 A117 H120 S128 Q129 M132	I14-F124 HydrophobicContact CB-CD2 4.11Å; I14-F124 HydrophobicContact CB-CE2 4.49Å; I14-F124 HydrophobicContact CD1-CB 4.01Å; I14-F124 HydrophobicContact CD1-CD2 4.24Å; I14-F124 HydrophobicContact CD1-CG 4.37Å; I14-F124 HydrophobicContact CG1-CB 4.32Å; I14-F124 HydrophobicContact CG1-CD2 3.63Å; I14-F124 HydrophobicContact CG1-CE2 4.17Å; I14-F124 HydrophobicContact CG1-CG 4.14Å; I14-F124 HydrophobicContact CG2-CD2 4.08Å; I14-F124 HydrophobicContact CG2-CE2 3.95Å; I113-F124 HydrophobicContact CG2-CE1 3.98Å; I113-F124 HydrophobicContact CG2-CZ 4.39Å; I116-F124 HydrophobicContact CB-CD1 4.08Å; I116-F124 HydrophobicContact CB-CE1 3.92Å; I116-F124 HydrophobicContact CB-CZ 4.47Å; I116-F124 HydrophobicContact CG2-CB 4.26Å; I116-F124 HydrophobicContact CG2-CD1 3.58Å; I116-F124 HydrophobicContact CG2-CD2 4.06Å; I116-F124 HydrophobicContact CG2-CE1 3.74Å; I116-F124 HydrophobicContact CG2-CE2 4.25Å; I116-F124 HydrophobicContact CG2-CG 3.73Å; I116-F124 HydrophobicContact CG2-CZ 4.09Å; A117-F124 HydrophobicContact CB-CD1 3.84Å; A117-F124 HydrophobicContact CB-CE1 4.33Å; H120-F124 WeakPolarHBondContact O-CB 3.23Å; H120-F124 PolarHBondContact O-N 3.42Å; F124-S128 WeakPolarHBondContact CE2-O 3.48Å; F124-Q129 HydrophobicContact CD1-CG 3.47Å; F124-Q129 VanDerWaalsContact CD1-CG 3.47Å; F124-Q129 HydrophobicContact CD2-CG 4.26Å; F124-Q129 HydrophobicContact CE1-CB 4.36Å; F124-Q129 HydrophobicContact CE1-CG 3.4Å; F124-Q129 VanDerWaalsContact CE1-CG 3.4Å; F124-Q129 HydrophobicContact CE2-CG 4.15Å; F124-Q129 HydrophobicContact CG-CG 3.94Å; F124-Q129 HydrophobicContact CZ-CB 4.28Å; F124-Q129 HydrophobicContact CZ-CG 3.74Å; F124-Q129 PolarHBondContact O-NE2 3.36Å; F124-M132 HydrophobicContact CE2-CB 3.86Å; F124-M132 HydrophobicContact CE2-CG 4.42Å; F124-M132 HydrophobicContact CZ-CB 3.72Å; F124-M132 HydrophobicContact CZ-CG 3.99Å
125	G	94.2	Very high	95.6	Very high	38 Å²	38	54.6 Å²	54.6	39%	0.392	32%	0.321	S	S	.	.			trans	-67.7	-179.6	174.6	0	0	0	0	0	113.7	D127 S128 Q129	G125-D127 VanDerWaalsContact C-N 3.32Å; G125-D127 PolarHBondContact O-N 3.02Å; G125-S128 PolarHBondContact O-N 2.82Å; G125-Q129 WeakPolarHBondContact O-CG 3.26Å; G125-Q129 PolarHBondContact O-N 3.46Å
126	A	95.1	Very high	95.6	Very high	76 Å²	76	54.4 Å²	54.4	63%	0.628	32%	0.32	S	S	*	.	H	α-helix	trans	-54.8	-42.7	-173.2	0	0	0	0	0	113.6	Q129 A130	A126-Q129 PolarHBondContact O-N 3.38Å; A126-A130 WeakPolarHBondContact O-CB 3.37Å; A126-A130 PolarHBondContact O-N 3.26Å
127	D	94.3	Very high	95.6	Very high	118 Å²	118	58.5 Å²	58.5	63%	0.631	34%	0.339	S	S	*	.	H	α-helix	trans	-67.4	-45	-179.6	-63.2	-18.3	0	0	0	111.8	G125 Q129 A130 A131	G125-D127 VanDerWaalsContact C-N 3.32Å; G125-D127 PolarHBondContact O-N 3.02Å; D127-Q129 VanDerWaalsContact C-N 3.31Å; D127-Q129 PolarHBondContact O-N 3.18Å; D127-A130 PolarHBondContact O-N 3.06Å; D127-A131 WeakPolarHBondContact O-CB 3.36Å; D127-A131 PolarHBondContact O-N 3.19Å
128	S	95.4	Very high	95.5	Very high	20 Å²	20	58.8 Å²	58.8	14%	0.14	34%	0.337	C	S	.	.	H	α-helix	trans	-63.2	-38.3	176.1	-58.9	0	0	0	0	111.7	F124 G125 A131 M132	F124-S128 WeakPolarHBondContact CE2-O 3.48Å; G125-S128 PolarHBondContact O-N 2.82Å; S128-A131 PolarHBondContact O-N 3Å; S128-M132 WeakPolarHBondContact O-CB 3.45Å; S128-M132 PolarHBondContact O-N 2.91Å
129	Q	96.8	Very high	95.5	Very high	73 Å²	73	53.9 Å²	53.9	34%	0.341	31%	0.313	S	S	.	.	H	α-helix	trans	-63.7	-45.2	173.8	-75	-177	42.2	0	0	111.8	F124 G125 A126 D127 M132 K133	F124-Q129 HydrophobicContact CD1-CG 3.47Å; F124-Q129 VanDerWaalsContact CD1-CG 3.47Å; F124-Q129 HydrophobicContact CD2-CG 4.26Å; F124-Q129 HydrophobicContact CE1-CB 4.36Å; F124-Q129 HydrophobicContact CE1-CG 3.4Å; F124-Q129 VanDerWaalsContact CE1-CG 3.4Å; F124-Q129 HydrophobicContact CE2-CG 4.15Å; F124-Q129 HydrophobicContact CG-CG 3.94Å; F124-Q129 HydrophobicContact CZ-CB 4.28Å; F124-Q129 HydrophobicContact CZ-CG 3.74Å; F124-Q129 PolarHBondContact O-NE2 3.36Å; G125-Q129 WeakPolarHBondContact O-CG 3.26Å; G125-Q129 PolarHBondContact O-N 3.46Å; A126-Q129 PolarHBondContact O-N 3.38Å; D127-Q129 VanDerWaalsContact C-N 3.31Å; D127-Q129 PolarHBondContact O-N 3.18Å; Q129-M132 PolarHBondContact O-N 3.05Å; Q129-K133 WeakPolarHBondContact O-CB 3.41Å; Q129-K133 PolarHBondContact O-N 2.89Å
130	A	96.4	Very high	95.5	Very high	47 Å²	47	51 Å²	51	39%	0.388	30%	0.3	S	S	.	.	H	α-helix	trans	-62.8	-43.3	177.2	0	0	0	0	0	111.6	A126 D127 K133 K134	A126-A130 WeakPolarHBondContact O-CB 3.37Å; A126-A130 PolarHBondContact O-N 3.26Å; D127-A130 PolarHBondContact O-N 3.06Å; A130-K133 PolarHBondContact O-N 3.41Å; A130-K134 WeakPolarHBondContact O-CG 3.43Å; A130-K134 PolarHBondContact O-N 3.47Å
131	A	97.3	Very high	95.5	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.008	32%	0.317	C	S	.	.	H	α-helix	trans	-62.4	-45.9	175.8	0	0	0	0	0	111.7	L3 E7 Q10 V11 D127 S128 K133 K134 A135	L3-A131 WeakPolarHBondContact CD2-O 3.44Å; E7-A131 HydrophobicContact CB-CB 3.91Å; E7-A131 HydrophobicContact CG-CB 4.17Å; Q10-A131 HydrophobicContact CB-CB 4.19Å; V11-A131 HydrophobicContact CG2-CB 3.94Å; D127-A131 WeakPolarHBondContact O-CB 3.36Å; D127-A131 PolarHBondContact O-N 3.19Å; S128-A131 PolarHBondContact O-N 3Å; A131-K133 VanDerWaalsContact C-N 3.34Å; A131-K133 PolarHBondContact O-N 3.32Å; A131-K134 PolarHBondContact O-N 3.24Å; A131-A135 PolarHBondContact O-N 2.85Å
132	M	97.7	Very high	95.6	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62	-41.3	175.5	-176	60.2	72.7	0	0	112	V11 I14 W15 I113 I116 F124 S128 Q129 K134 A135 L136	V11-M132 HydrophobicContact CB-CE 4.43Å; V11-M132 HydrophobicContact CG1-CE 3.85Å; V11-M132 HydrophobicContact CG1-SD 4.22Å; I14-M132 HydrophobicContact CG2-CE 3.6Å; W15-M132 HydrophobicContact CE3-CE 4.07Å; I113-M132 HydrophobicContact CG1-CG 4.1Å; I116-M132 HydrophobicContact CD1-CE 4.49Å; F124-M132 HydrophobicContact CE2-CB 3.86Å; F124-M132 HydrophobicContact CE2-CG 4.42Å; F124-M132 HydrophobicContact CZ-CB 3.72Å; F124-M132 HydrophobicContact CZ-CG 3.99Å; S128-M132 WeakPolarHBondContact O-CB 3.45Å; S128-M132 PolarHBondContact O-N 2.91Å; Q129-M132 PolarHBondContact O-N 3.05Å; M132-K134 VanDerWaalsContact C-N 3.34Å; M132-K134 PolarHBondContact O-N 3.42Å; M132-A135 PolarHBondContact O-N 3.27Å; M132-L136 HydrophobicContact CG-CD1 3.98Å; M132-L136 HydrophobicContact CG-CG 4.41Å; M132-L136 WeakPolarHBondContact O-CG 3.44Å; M132-L136 PolarHBondContact O-N 2.94Å; M132-L136 HydrophobicContact SD-CD1 4.22Å; M132-L136 HydrophobicContact SD-CG 4.17Å
133	K	96.9	Very high	95.7	Very high	128 Å²	128	47.6 Å²	47.6	56%	0.557	26%	0.263	S	S	*	.	H	α-helix	trans	-59.5	-45.2	175.7	-172.8	177.1	179.3	179.4	0	111.5	I113 Q129 A130 A131 L136 E137	I113-K133 HydrophobicContact CD1-CB 3.94Å; I113-K133 HydrophobicContact CD1-CG 4.28Å; Q129-K133 WeakPolarHBondContact O-CB 3.41Å; Q129-K133 PolarHBondContact O-N 2.89Å; A130-K133 PolarHBondContact O-N 3.41Å; A131-K133 VanDerWaalsContact C-N 3.34Å; A131-K133 PolarHBondContact O-N 3.32Å; K133-L136 PolarHBondContact O-N 3.06Å; K133-E137 WeakPolarHBondContact O-CB 3.47Å; K133-E137 PolarHBondContact O-N 3.46Å
134	K	97.1	Very high	95.8	Very high	102 Å²	102	45 Å²	45	44%	0.443	25%	0.252	S	S	.	.	H	α-helix	trans	-61.7	-42.4	175.1	-72.1	177.7	-178.3	-178.4	0	112	L3 E7 A130 A131 M132 E137 L138	L3-K134 HydrophobicContact CD1-CB 4.06Å; L3-K134 HydrophobicContact CD2-CB 4.25Å; L3-K134 HydrophobicContact CG-CB 3.97Å; E7-K134 VanDerWaalsContact OE1-CD 3.25Å; E7-K134 WeakPolarHBondContact OE1-CD 3.15Å; E7-K134 WeakPolarHBondContact OE1-CE 3.24Å; E7-K134 IonicContact OE1-NZ 3.3Å; E7-K134 PolarHBondContact OE1-NZ 3.16Å; A130-K134 WeakPolarHBondContact O-CG 3.43Å; A130-K134 PolarHBondContact O-N 3.47Å; A131-K134 PolarHBondContact O-N 3.24Å; M132-K134 VanDerWaalsContact C-N 3.34Å; M132-K134 PolarHBondContact O-N 3.42Å; K134-E137 PolarHBondContact O-N 3.03Å; K134-L138 PolarHBondContact O-N 2.92Å
135	A	97	Very high	95.7	Very high	1 Å²	1	48 Å²	48	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-62.6	-45.3	178.7	0	0	0	0	0	111.8	L3 W8 V11 L77 A131 M132 E137 L138 F139	L3-A135 HydrophobicContact CD2-CB 3.74Å; W8-A135 HydrophobicContact CH2-CB 4.21Å; W8-A135 HydrophobicContact CZ3-CB 4.02Å; V11-A135 HydrophobicContact CG1-CB 4.27Å; V11-A135 HydrophobicContact CG2-CB 4.05Å; L77-A135 HydrophobicContact CD2-CB 3.91Å; A131-A135 PolarHBondContact O-N 2.85Å; M132-A135 PolarHBondContact O-N 3.27Å; A135-E137 VanDerWaalsContact C-N 3.35Å; A135-L138 PolarHBondContact O-N 3.2Å; A135-F139 PolarHBondContact O-N 2.82Å
136	L	96.9	Very high	95.6	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-68.9	-34	177.7	-66.4	172.7	0	0	0	111.9	L73 I112 I113 M132 K133 F139 R140	L73-L136 HydrophobicContact CD1-CD2 4.26Å; L73-L136 HydrophobicContact CD2-CD2 4.11Å; I112-L136 HydrophobicContact CB-CD1 4.4Å; I112-L136 HydrophobicContact CD1-CD2 4.48Å; I112-L136 HydrophobicContact CG2-CD1 4.19Å; I113-L136 HydrophobicContact CD1-CD1 4.1Å; I113-L136 HydrophobicContact CG1-CD1 3.92Å; M132-L136 HydrophobicContact CG-CD1 3.98Å; M132-L136 HydrophobicContact CG-CG 4.41Å; M132-L136 WeakPolarHBondContact O-CG 3.44Å; M132-L136 PolarHBondContact O-N 2.94Å; M132-L136 HydrophobicContact SD-CD1 4.22Å; M132-L136 HydrophobicContact SD-CG 4.17Å; K133-L136 PolarHBondContact O-N 3.06Å; L136-F139 PolarHBondContact O-N 3.49Å; L136-R140 WeakPolarHBondContact O-CG 3.45Å; L136-R140 PolarHBondContact O-N 3.39Å; L136-R140 PolarHBondContact O-NH1 2.86Å
137	E	96.3	Very high	95.6	Very high	86 Å²	86	43.7 Å²	43.7	40%	0.402	23%	0.23	S	C	.	.	H	α-helix	trans	-65.1	-45	172.7	-173.8	178.9	167.5	0	0	112.1	K133 K134 A135 F139 R140 N141	K133-E137 WeakPolarHBondContact O-CB 3.47Å; K133-E137 PolarHBondContact O-N 3.46Å; K134-E137 PolarHBondContact O-N 3.03Å; A135-E137 VanDerWaalsContact C-N 3.35Å; E137-F139 VanDerWaalsContact C-N 3.33Å; E137-F139 PolarHBondContact O-N 3.48Å; E137-R140 PolarHBondContact O-N 3.15Å; E137-N141 WeakPolarHBondContact O-CB 3.46Å; E137-N141 PolarHBondContact O-N 2.77Å; E137-N141 PolarHBondContact O-ND2 3.22Å
138	L	95.5	Very high	95.5	Very high	30 Å²	30	45.6 Å²	45.6	16%	0.157	23%	0.232	C	C	.	.	H	α-helix	trans	-56.6	-48.5	172.8	178.2	64	0	0	0	110.9	L3 W8 K134 A135 R140 N141 D142	L3-L138 HydrophobicContact CD1-CB 4.38Å; L3-L138 HydrophobicContact CD1-CD2 4.07Å; W8-L138 HydrophobicContact CH2-CD2 4.39Å; W8-L138 HydrophobicContact CZ2-CD2 4.03Å; K134-L138 PolarHBondContact O-N 2.92Å; A135-L138 PolarHBondContact O-N 3.2Å; L138-R140 PolarHBondContact O-N 3.33Å; L138-N141 PolarHBondContact O-N 3.43Å; L138-D142 PolarHBondContact O-N 3.48Å
139	F	95.4	Very high	95.4	Very high	15 Å²	15	50 Å²	50	7%	0.066	25%	0.25	C	S	.	.	H	α-helix	trans	-55.2	-47.8	175.3	163.9	-104.1	0	0	0	112.5	I76 L87 L90 A135 L136 E137 D142 M143	I76-F139 HydrophobicContact CD1-CD2 4.16Å; I76-F139 HydrophobicContact CD1-CE2 3.81Å; I76-F139 HydrophobicContact CG2-CD2 4.05Å; L87-F139 HydrophobicContact CD1-CD2 4.12Å; L87-F139 HydrophobicContact CD1-CE2 4.47Å; L90-F139 HydrophobicContact CD2-CE2 3.84Å; L90-F139 HydrophobicContact CD2-CZ 3.95Å; A135-F139 PolarHBondContact O-N 2.82Å; L136-F139 PolarHBondContact O-N 3.49Å; E137-F139 VanDerWaalsContact C-N 3.33Å; E137-F139 PolarHBondContact O-N 3.48Å; F139-D142 PolarHBondContact O-N 3.42Å; F139-M143 HydrophobicContact CD2-CG 3.99Å; F139-M143 HydrophobicContact CE1-CG 4.16Å; F139-M143 HydrophobicContact CE2-CG 3.51Å; F139-M143 HydrophobicContact CE2-SD 3.92Å; F139-M143 HydrophobicContact CZ-CE 4.4Å; F139-M143 HydrophobicContact CZ-CG 3.6Å; F139-M143 HydrophobicContact CZ-SD 4.08Å; F139-M143 WeakPolarHBondContact O-CB 3.46Å; F139-M143 VanDerWaalsContact O-CG 3.26Å; F139-M143 WeakPolarHBondContact O-CG 3.48Å; F139-M143 PolarHBondContact O-N 3.1Å
140	R	95.2	Very high	95.2	Very high	37 Å²	37	49.1 Å²	49.1	14%	0.14	25%	0.246	C	C	.	.	H	α-helix	trans	-64.4	-41.3	179.3	-71.9	-167.3	-48.4	-82.2	-1.1	112.5	L105 S109 L136 E137 L138 D142 M143 A144	L105-R140 VanDerWaalsContact C-CD 3.47Å; L105-R140 HydrophobicContact CB-CG 3.92Å; L105-R140 WeakPolarHBondContact O-CD 3.27Å; S109-R140 VanDerWaalsContact CB-NH1 3.27Å; S109-R140 PolarHBondContact OG-NH1 3.27Å; L136-R140 WeakPolarHBondContact O-CG 3.45Å; L136-R140 PolarHBondContact O-N 3.39Å; L136-R140 PolarHBondContact O-NH1 2.86Å; E137-R140 PolarHBondContact O-N 3.15Å; L138-R140 PolarHBondContact O-N 3.33Å; R140-D142 VanDerWaalsContact C-N 3.34Å; R140-D142 PolarHBondContact O-N 2.99Å; R140-M143 PolarHBondContact O-N 3.38Å; R140-A144 WeakPolarHBondContact O-CB 3.45Å; R140-A144 PolarHBondContact O-N 3.42Å
141	N	94.7	Very high	94.8	Very high	92 Å²	92	50.2 Å²	50.2	49%	0.492	26%	0.261	S	S	.	.	H	α-helix	trans	-62.5	-43.5	178.5	-70.7	-22.2	0	0	0	111.3	E137 L138 A144 S145	E137-N141 WeakPolarHBondContact O-CB 3.46Å; E137-N141 PolarHBondContact O-N 2.77Å; E137-N141 PolarHBondContact O-ND2 3.22Å; L138-N141 PolarHBondContact O-N 3.43Å; N141-A144 PolarHBondContact O-N 2.97Å; N141-S145 PolarHBondContact O-N 3.26Å
142	D	94.5	Very high	94.5	Very high	53 Å²	53	51.7 Å²	51.7	28%	0.283	27%	0.268	S	S	.	.	H	α-helix	trans	-70.4	-38.4	178.9	-66.5	-19.1	0	0	0	111.8	H83 L87 L138 F139 R140 S145 K146	H83-D142 IonicContact CD2-OD2 3.75Å; H83-D142 IonicContact CE1-OD2 3.53Å; H83-D142 IonicContact NE2-OD2 2.7Å; H83-D142 PolarHBondContact NE2-OD2 3.36Å; L87-D142 HydrophobicContact CD1-CB 3.54Å; L87-D142 HydrophobicContact CD2-CB 4.49Å; L138-D142 PolarHBondContact O-N 3.48Å; F139-D142 PolarHBondContact O-N 3.42Å; R140-D142 VanDerWaalsContact C-N 3.34Å; R140-D142 PolarHBondContact O-N 2.99Å; D142-S145 PolarHBondContact O-N 2.95Å; D142-K146 WeakPolarHBondContact O-CG 3.46Å; D142-K146 PolarHBondContact O-N 3.01Å
143	M	94.5	Very high	93.3	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-57.7	-48.2	170.3	-76.6	-73.4	-70.7	0	0	111.5	L87 L90 A91 H94 L105 F139 R140 S145 K146 Y147	L87-M143 HydrophobicContact CD1-CG 4.2Å; L87-M143 HydrophobicContact CD1-SD 4.48Å; L87-M143 HydrophobicContact CD2-CG 4.42Å; L87-M143 HydrophobicContact CD2-SD 4.02Å; L87-M143 HydrophobicContact CG-CG 4.26Å; L87-M143 HydrophobicContact CG-SD 3.91Å; L90-M143 HydrophobicContact CD2-CE 4.47Å; L90-M143 HydrophobicContact CD2-SD 4.22Å; L90-M143 HydrophobicContact CG-CE 4.33Å; L90-M143 HydrophobicContact CG-SD 4.38Å; A91-M143 HydrophobicContact CB-CE 4.28Å; A91-M143 HydrophobicContact CB-SD 3.72Å; H94-M143 HydrophobicContact CB-CE 4.18Å; L105-M143 HydrophobicContact CD1-CB 3.82Å; L105-M143 HydrophobicContact CD1-CE 3.9Å; L105-M143 HydrophobicContact CD1-CG 4.14Å; F139-M143 HydrophobicContact CD2-CG 3.99Å; F139-M143 HydrophobicContact CE1-CG 4.16Å; F139-M143 HydrophobicContact CE2-CG 3.51Å; F139-M143 HydrophobicContact CE2-SD 3.92Å; F139-M143 HydrophobicContact CZ-CE 4.4Å; F139-M143 HydrophobicContact CZ-CG 3.6Å; F139-M143 HydrophobicContact CZ-SD 4.08Å; F139-M143 WeakPolarHBondContact O-CB 3.46Å; F139-M143 VanDerWaalsContact O-CG 3.26Å; F139-M143 WeakPolarHBondContact O-CG 3.48Å; F139-M143 PolarHBondContact O-N 3.1Å; R140-M143 PolarHBondContact O-N 3.38Å; M143-S145 VanDerWaalsContact C-N 3.31Å; M143-S145 PolarHBondContact O-N 2.95Å; M143-K146 PolarHBondContact O-N 2.9Å; M143-Y147 HydrophobicContact CE-CE1 3.75Å; M143-Y147 VanDerWaalsContact O-CD1 3.23Å; M143-Y147 WeakPolarHBondContact O-CD1 3Å; M143-Y147 PolarHBondContact O-N 3.3Å
144	A	94.1	Very high	91.5	Very high	25 Å²	25	57.2 Å²	57.2	21%	0.207	31%	0.309	C	S	.	.	H	α-helix	trans	-62.6	-37.6	178.3	0	0	0	0	0	112.1	V102 R140 N141 Y147 K148	V102-A144 HydrophobicContact CG1-CB 4.47Å; V102-A144 HydrophobicContact CG2-CB 3.68Å; R140-A144 WeakPolarHBondContact O-CB 3.45Å; R140-A144 PolarHBondContact O-N 3.42Å; N141-A144 PolarHBondContact O-N 2.97Å; A144-Y147 PolarHBondContact O-N 3.34Å; A144-K148 PolarHBondContact O-N 2.7Å
145	S	93.7	Very high	91.3	Very high	64 Å²	64	55 Å²	55	45%	0.448	30%	0.303	S	S	.	.	H	α-helix	trans	-62.8	-47	173.3	-167.6	0	0	0	0	111.3	N141 D142 M143 Y147 K148 E149	N141-S145 PolarHBondContact O-N 3.26Å; D142-S145 PolarHBondContact O-N 2.95Å; M143-S145 VanDerWaalsContact C-N 3.31Å; M143-S145 PolarHBondContact O-N 2.95Å; S145-Y147 VanDerWaalsContact C-N 3.34Å; S145-Y147 PolarHBondContact O-N 3.17Å; S145-K148 WeakPolarHBondContact O-CB 3.47Å; S145-K148 PolarHBondContact O-N 3.29Å; S145-E149 PolarHBondContact O-N 3.09Å
146	K	93.4	Very high	91	Very high	22 Å²	22	57.8 Å²	57.8	10%	0.096	32%	0.318	C	S	.	.	H	α-helix	trans	-66.4	-33.5	177.4	-69	-48.7	-173.3	-173.5	0	113.1	E84 L87 A91 D142 M143 K148 E149 F150	E84-K146 WeakPolarHBondContact OE1-CE 3.28Å; E84-K146 IonicContact OE1-NZ 2.82Å; E84-K146 PolarHBondContact OE1-NZ 3.38Å; L87-K146 HydrophobicContact CD2-CB 4.11Å; L87-K146 HydrophobicContact CD2-CG 3.45Å; L87-K146 VanDerWaalsContact CD2-CG 3.45Å; A91-K146 HydrophobicContact CB-CB 3.53Å; A91-K146 HydrophobicContact CB-CG 4.27Å; D142-K146 WeakPolarHBondContact O-CG 3.46Å; D142-K146 PolarHBondContact O-N 3.01Å; M143-K146 PolarHBondContact O-N 2.9Å; K146-K148 VanDerWaalsContact C-N 3.27Å; K146-K148 PolarHBondContact O-N 2.86Å; K146-E149 VanDerWaalsContact CD-CD 3.43Å; K146-E149 HydrophobicContact CD-CG 4.5Å; K146-E149 VanDerWaalsContact CD-OE1 3.28Å; K146-E149 WeakPolarHBondContact CD-OE1 3.27Å; K146-E149 VanDerWaalsContact CD-OE2 3.27Å; K146-E149 WeakPolarHBondContact CD-OE2 3.22Å; K146-E149 VanDerWaalsContact NZ-CD 3.31Å; K146-E149 IonicContact NZ-OE1 2.85Å; K146-E149 PolarHBondContact NZ-OE1 3.13Å; K146-E149 IonicContact NZ-OE2 2.95Å; K146-E149 PolarHBondContact NZ-OE2 3.23Å; K146-E149 WeakPolarHBondContact O-CB 3.48Å; K146-E149 PolarHBondContact O-N 3.11Å; K146-E149 VanDerWaalsContact O-N 3.11Å; K146-F150 HydrophobicContact CB-CE2 4.07Å; K146-F150 WeakPolarHBondContact O-CD2 3.47Å; K146-F150 PolarHBondContact O-N 3.36Å; K146-F150 VanDerWaalsContact O-N 3.09Å
147	Y	94.8	Very high	90.6	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.008	34%	0.335	C	S	.	.	H	α-helix	trans	-57.2	-42.3	174	-79.4	9.2	0	0	0	112	A91 H94 A95 I100 V102 M143 A144 S145 E149 F150 G151 F152	A91-Y147 HydrophobicContact CB-CD1 4.25Å; A91-Y147 HydrophobicContact CB-CE1 4.31Å; A91-Y147 WeakPolarHBondContact O-CE1 3.38Å; H94-Y147 HydrophobicContact CB-CE1 4.03Å; H94-Y147 WeakPolarHBondContact CB-OH 3.47Å; A95-Y147 HydrophobicContact CB-CD1 3.65Å; A95-Y147 HydrophobicContact CB-CE1 3.86Å; A95-Y147 HydrophobicContact CB-CG 4.17Å; I100-Y147 WeakPolarHBondContact O-CE2 3.49Å; I100-Y147 PolarHBondContact O-OH 3.04Å; V102-Y147 HydrophobicContact CG2-CD2 3.85Å; V102-Y147 HydrophobicContact CG2-CE2 4.01Å; M143-Y147 HydrophobicContact CE-CE1 3.75Å; M143-Y147 VanDerWaalsContact O-CD1 3.23Å; M143-Y147 WeakPolarHBondContact O-CD1 3Å; M143-Y147 PolarHBondContact O-N 3.3Å; A144-Y147 PolarHBondContact O-N 3.34Å; S145-Y147 VanDerWaalsContact C-N 3.34Å; S145-Y147 PolarHBondContact O-N 3.17Å; Y147-E149 VanDerWaalsContact C-N 3.34Å; Y147-E149 PolarHBondContact O-N 3.45Å; Y147-F150 CarbonylContact O-C 3.43Å; Y147-F150 WeakPolarHBondContact O-CA 3.37Å; Y147-F150 PolarHBondContact O-N 2.95Å; Y147-G151 PolarHBondContact O-N 2.94Å; Y147-F152 CarbonylContact C-O 3.19Å; Y147-F152 AromaticContact CD2-CD1 3.39Å; Y147-F152 HydrophobicContact CD2-CD1 3.39Å; Y147-F152 AromaticContact CD2-CE1 3.71Å; Y147-F152 HydrophobicContact CD2-CE1 3.71Å; Y147-F152 AromaticContact CE2-CD1 3.77Å; Y147-F152 HydrophobicContact CE2-CD1 3.77Å; Y147-F152 AromaticContact CE2-CE1 3.67Å; Y147-F152 HydrophobicContact CE2-CE1 3.67Å; Y147-F152 AromaticContact CG-CD1 3.83Å; Y147-F152 HydrophobicContact CG-CD1 3.83Å; Y147-F152 PolarHBondContact O-N 3.43Å; Y147-F152 VanDerWaalsContact O-O 3.08Å
148	K	92.4	Very high	90.3	Very high	158 Å²	158	59.5 Å²	59.5	69%	0.687	33%	0.332	S	S	*	.	H	α-helix	trans	-62.1	-40.6	175.3	-65	174.1	-176.6	178.7	0	111.9	A144 S145 K146 F150 G151	A144-K148 PolarHBondContact O-N 2.7Å; S145-K148 WeakPolarHBondContact O-CB 3.47Å; S145-K148 PolarHBondContact O-N 3.29Å; K146-K148 VanDerWaalsContact C-N 3.27Å; K146-K148 PolarHBondContact O-N 2.86Å; K148-F150 PolarHBondContact O-N 3.29Å; K148-G151 PolarHBondContact O-N 3.33Å
149	E	92.7	Very high	90	Very high	112 Å²	112	61.3 Å²	61.3	52%	0.523	34%	0.342	S	S	.	.	H	α-helix	trans	-60.4	-31	174.1	-64.3	176.5	-154.6	0	0	112.1	S145 K146 Y147	S145-E149 PolarHBondContact O-N 3.09Å; K146-E149 VanDerWaalsContact CD-CD 3.43Å; K146-E149 HydrophobicContact CD-CG 4.5Å; K146-E149 VanDerWaalsContact CD-OE1 3.28Å; K146-E149 WeakPolarHBondContact CD-OE1 3.27Å; K146-E149 VanDerWaalsContact CD-OE2 3.27Å; K146-E149 WeakPolarHBondContact CD-OE2 3.22Å; K146-E149 VanDerWaalsContact NZ-CD 3.31Å; K146-E149 IonicContact NZ-OE1 2.85Å; K146-E149 PolarHBondContact NZ-OE1 3.13Å; K146-E149 IonicContact NZ-OE2 2.95Å; K146-E149 PolarHBondContact NZ-OE2 3.23Å; K146-E149 WeakPolarHBondContact O-CB 3.48Å; K146-E149 PolarHBondContact O-N 3.11Å; K146-E149 VanDerWaalsContact O-N 3.11Å; Y147-E149 VanDerWaalsContact C-N 3.34Å; Y147-E149 PolarHBondContact O-N 3.45Å
150	F	92.1	Very high	89.6	Confident	56 Å²	56	64.4 Å²	64.4	25%	0.246	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	8.9	176.2	-57.2	-51.7	0	0	0	114.3	K88 A91 Q92 A95 T96 K146 Y147 K148 F152	K88-F150 HydrophobicContact CG-CZ 4.15Å; A91-F150 HydrophobicContact CB-CD2 4.44Å; A91-F150 HydrophobicContact CB-CE2 3.83Å; Q92-F150 VanDerWaalsContact CA-CE2 3.48Å; Q92-F150 HydrophobicContact CB-CD2 4.33Å; Q92-F150 HydrophobicContact CB-CE1 4.15Å; Q92-F150 HydrophobicContact CB-CE2 3.8Å; Q92-F150 HydrophobicContact CB-CZ 3.7Å; Q92-F150 HydrophobicContact CG-CD1 4.46Å; Q92-F150 HydrophobicContact CG-CE1 4.19Å; Q92-F150 HydrophobicContact CG-CZ 4.26Å; Q92-F150 VanDerWaalsContact N-CE2 3.31Å; A95-F150 HydrophobicContact CB-CB 4.15Å; A95-F150 HydrophobicContact CB-CD2 4.25Å; T96-F150 HydrophobicContact CG2-CB 4.21Å; K146-F150 HydrophobicContact CB-CE2 4.07Å; K146-F150 WeakPolarHBondContact O-CD2 3.47Å; K146-F150 PolarHBondContact O-N 3.36Å; K146-F150 VanDerWaalsContact O-N 3.09Å; Y147-F150 CarbonylContact O-C 3.43Å; Y147-F150 WeakPolarHBondContact O-CA 3.37Å; Y147-F150 PolarHBondContact O-N 2.95Å; K148-F150 PolarHBondContact O-N 3.29Å; F150-F152 VanDerWaalsContact C-N 3.27Å; F150-F152 PolarHBondContact O-N 2.85Å
151	G	89.4	Confident	89.2	Confident	69 Å²	69	66.4 Å²	66.4	71%	0.711	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	19.3	179.4	0	0	0	0	0	114.5	Y147 K148	Y147-G151 PolarHBondContact O-N 2.94Å; K148-G151 PolarHBondContact O-N 3.33Å
152	F	90.6	Very high	88.8	Confident	32 Å²	32	64.4 Å²	64.4	14%	0.14	37%	0.368	C	S	.	.			trans	-103.9	124.7	174.7	-176.3	-110.2	0	0	0	109.7	A95 K99 I100 Y147 F150	A95-F152 HydrophobicContact CB-CB 3.77Å; A95-F152 HydrophobicContact CB-CD1 4.09Å; A95-F152 HydrophobicContact CB-CG 4.11Å; K99-F152 HydrophobicContact CB-CE2 4.34Å; K99-F152 HydrophobicContact CD-CD2 4.1Å; K99-F152 HydrophobicContact CD-CE2 3.89Å; I100-F152 WeakPolarHBondContact O-CE1 3.46Å; Y147-F152 CarbonylContact C-O 3.19Å; Y147-F152 AromaticContact CD2-CD1 3.39Å; Y147-F152 HydrophobicContact CD2-CD1 3.39Å; Y147-F152 AromaticContact CD2-CE1 3.71Å; Y147-F152 HydrophobicContact CD2-CE1 3.71Å; Y147-F152 AromaticContact CE2-CD1 3.77Å; Y147-F152 HydrophobicContact CE2-CD1 3.77Å; Y147-F152 AromaticContact CE2-CE1 3.67Å; Y147-F152 HydrophobicContact CE2-CE1 3.67Å; Y147-F152 AromaticContact CG-CD1 3.83Å; Y147-F152 HydrophobicContact CG-CD1 3.83Å; Y147-F152 PolarHBondContact O-N 3.43Å; Y147-F152 VanDerWaalsContact O-O 3.08Å; F150-F152 VanDerWaalsContact C-N 3.27Å; F150-F152 PolarHBondContact O-N 2.85Å
153	Q	72.6	Confident	88.3	Confident	192 Å²	192	65.3 Å²	65.3	90%	0.897	38%	0.375	S	S	*	.			trans	-103.8	9.9	-178	-64.2	-173.9	-2.4	0	0	113.2
154	G	59.3	Low	87.7	Confident	52 Å²	52	71.3 Å²	71.3	54%	0.536	41%	0.409	S	S	.	.			trans	-72.6	0	-172	0	0	0	0	0	115.5	P101 V102	P101-G154 WeakPolarHBondContact CA-OXT 3.17Å; P101-G154 VanDerWaalsContact CB-OXT 3.26Å; P101-G154 WeakPolarHBondContact CB-OXT 3.47Å; V102-G154 WeakPolarHBondContact CG2-O 3.45Å; V102-G154 PolarHBondContact N-O 2.72Å; V102-G154 PolarHBondContact N-OXT 2.82Å

Retrieved 154 of 154 residues in 80.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).