A0A060CYS6_MAIZE Loading...

MYB transcription factor

AlphaFold DB , UniProt , Accession A0A060CYS6, Species MAIZE (Zea mays, Maize), Gene MYB41, Length 244 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	51.2	Low	65.2	Low	250 Å²	250	132.6 Å²	132.6	100%	1.232	75%	0.749	S	S	*	*				0	133	0	-66.1	167.1	-179.3	0	0	108.5
2	G	63.6	Low	66.6	Low	79 Å²	79	126.9 Å²	126.9	81%	0.814	72%	0.715	S	S	*	*			trans	-71.8	148.9	-179.3	0	0	0	0	0	113	A4	G2-A4 PolarHBondContact O-N 3.25Å
3	R	71.4	Confident	68	Low	227 Å²	227	126.4 Å²	126.4	86%	0.857	70%	0.7	S	S	*	*			trans	-70.6	113.8	172.1	-75.3	177.4	170.6	177.7	-0.9	109
4	A	66.9	Low	69.4	Low	69 Å²	69	134.5 Å²	134.5	57%	0.57	72%	0.715	S	S	*	*			trans	-53	143.4	176.6	0	0	0	0	0	112.3	G2 C6	G2-A4 PolarHBondContact O-N 3.25Å; A4-C6 PolarHBondContact O-N 3.37Å
5	P	70.5	Confident	70.9	Confident	114 Å²	114	128.9 Å²	128.9	74%	0.74	70%	0.702	S	S	*	*			trans	-60.9	133.7	-179.1	24.9	-33.9	0	0	0	110.9	C7	P5-C7 PolarHBondContact O-N 3.4Å; P5-C7 VanDerWaalsContact O-N 3.15Å
6	C	64.3	Low	72.4	Confident	59 Å²	59	128.3 Å²	128.3	40%	0.399	71%	0.706	S	S	.	*	S	Bend	trans	-71.8	-9.3	-172.9	-163.5	0	0	0	0	114.2	A4	A4-C6 PolarHBondContact O-N 3.37Å
7	C	68.8	Low	73.9	Confident	65 Å²	65	123 Å²	123	44%	0.439	67%	0.673	S	S	.	*	S	Bend	trans	-134.8	107.4	-179.6	-56.9	0	0	0	0	108.5	P5 L12 C49	P5-C7 PolarHBondContact O-N 3.4Å; P5-C7 VanDerWaalsContact O-N 3.15Å; C7-L12 HydrophobicContact CB-CD1 4.06Å; C7-C49 HydrophobicContact CB-CB 4.48Å; C7-C49 WeakPolarHBondContact SG-CB 3.42Å
8	E	63.7	Low	75.2	Confident	133 Å²	133	119.7 Å²	119.7	62%	0.621	66%	0.658	S	S	*	*			trans	-67.2	130.7	166.8	-157	155.1	-154.9	0	0	107.9	M10 L12 K42	E8-M10 PolarHBondContact O-N 2.9Å; E8-L12 WeakPolarHBondContact O-CD1 3.47Å; E8-K42 IonicContact OE2-NZ 3.58Å; E8-K42 PolarHBondContact OE2-NZ 3.15Å
9	K	61.1	Low	76.3	Confident	209 Å²	209	117.9 Å²	117.9	91%	0.909	65%	0.652	S	S	*	*	S	Bend	trans	-77	1.5	-149.1	-156.5	174.8	176.4	-176.5	0	115.5
10	M	60.8	Low	77.4	Confident	178 Å²	178	117 Å²	117	88%	0.877	64%	0.643	S	S	*	*	S	Bend	trans	-127	149.3	-176.7	-58.7	-167.6	-173.8	0	0	112.1	E8 L12	E8-M10 PolarHBondContact O-N 2.9Å; M10-L12 VanDerWaalsContact C-N 3.33Å; M10-L12 PolarHBondContact O-N 3.21Å
11	G	74.8	Confident	78.4	Confident	76 Å²	76	111.8 Å²	111.8	78%	0.784	61%	0.614	S	S	*	*	S	Bend	trans	80.3	-12.9	171.7	0	0	0	0	0	117.8
12	L	82.1	Confident	80.6	Confident	64 Å²	64	100.8 Å²	100.8	34%	0.335	56%	0.56	S	S	.	*			trans	-79.1	123.9	-177	-60.1	179.3	0	0	0	113	C7 E8 M10 P47 C49	C7-L12 HydrophobicContact CB-CD1 4.06Å; E8-L12 WeakPolarHBondContact O-CD1 3.47Å; M10-L12 VanDerWaalsContact C-N 3.33Å; M10-L12 PolarHBondContact O-N 3.21Å; L12-P47 CarbonylContact C-O 3.59Å; L12-C49 HydrophobicContact CD1-CB 4.16Å
13	K	85.2	Confident	82.3	Confident	120 Å²	120	104.2 Å²	104.2	52%	0.522	55%	0.549	S	S	.	.			trans	-67.2	131.8	177.6	-68.4	-173.9	-176.7	177.8	0	111.8	P47 R48	K13-P47 HydrophobicContact CD-CG 3.85Å; K13-P47 HydrophobicContact CG-CB 4.26Å; K13-P47 HydrophobicContact CG-CG 4.1Å; K13-P47 PolarHBondContact N-O 3.36Å; K13-R48 WeakPolarHBondContact O-CD 3.22Å; K13-R48 PolarHBondContact O-NH1 3.08Å
14	R	87	Confident	83.5	Confident	240 Å²	240	96.3 Å²	96.3	91%	0.906	52%	0.522	S	S	*	.			trans	-110.9	165.6	169.4	-57.7	-174.6	-173.3	-168.8	3.3	109.4
15	G	91.8	Very high	85	Confident	51 Å²	51	93 Å²	93	53%	0.526	50%	0.495	S	S	.	.	S	Bend	trans	91	-168.9	-174.9	0	0	0	0	0	113.3	R48	G15-R48 PolarHBondContact O-NH1 2.79Å
16	P	94.9	Very high	86.3	Confident	119 Å²	119	89.2 Å²	89.2	77%	0.773	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-60	156.2	-169.6	25.5	-35.3	0	0	0	112.8	R48	P16-R48 PolarHBondContact O-NH2 3.09Å
17	W	97.4	Very high	87.9	Confident	38 Å²	38	88.1 Å²	88.1	14%	0.144	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-85.4	134	174.6	-82.5	69.5	0	0	0	110.2	E21 L25 L46 R48 S52 C53 R56	W17-E21 HydrophobicContact CE3-CB 3.74Å; W17-E21 HydrophobicContact CZ3-CB 3.99Å; W17-L25 HydrophobicContact CH2-CD2 3.63Å; W17-L25 HydrophobicContact CZ3-CB 4.17Å; W17-L25 HydrophobicContact CZ3-CD2 3.58Å; W17-L25 HydrophobicContact CZ3-CG 4.5Å; W17-L46 HydrophobicContact CH2-CD2 3.56Å; W17-L46 HydrophobicContact CZ3-CD2 3.66Å; W17-R48 HydrophobicContact CH2-CB 4.23Å; W17-R48 HydrophobicContact CH2-CG 3.95Å; W17-R48 HydrophobicContact CZ2-CB 4.09Å; W17-R48 HydrophobicContact CZ2-CG 3.84Å; W17-S52 PolarHBondContact NE1-OG 2.86Å; W17-C53 HydrophobicContact CH2-CB 4.34Å; W17-R56 HydrophobicContact CD2-CB 3.98Å; W17-R56 HydrophobicContact CD2-CG 3.56Å; W17-R56 HydrophobicContact CE3-CB 4.34Å; W17-R56 HydrophobicContact CE3-CG 3.73Å; W17-R56 HydrophobicContact CG-CB 4.49Å; W17-R56 HydrophobicContact CG-CG 3.92Å; W17-R56 HydrophobicContact CH2-CB 4.24Å; W17-R56 HydrophobicContact CH2-CG 4.45Å; W17-R56 HydrophobicContact CZ2-CB 3.87Å; W17-R56 HydrophobicContact CZ2-CG 4.31Å; W17-R56 HydrophobicContact CZ3-CB 4.45Å; W17-R56 HydrophobicContact CZ3-CG 4.16Å
18	T	97.4	Very high	89.3	Confident	64 Å²	64	85.8 Å²	85.8	39%	0.393	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-86.3	151	173.5	59	0	0	0	0	110.9	E20 E21 D22	T18-E20 PolarHBondContact O-N 3.27Å; T18-E21 PolarHBondContact N-OE2 3.04Å; T18-E21 PolarHBondContact O-N 3.31Å; T18-E21 VanDerWaalsContact OG1-CD 3.31Å; T18-E21 VanDerWaalsContact OG1-CG 3.25Å; T18-E21 WeakPolarHBondContact OG1-CG 3.34Å; T18-E21 PolarHBondContact OG1-N 3.33Å; T18-E21 PolarHBondContact OG1-OE2 2.59Å; T18-D22 PolarHBondContact O-N 3.01Å
19	P	97.5	Very high	90.9	Very high	86 Å²	86	80 Å²	80	56%	0.558	42%	0.421	S	S	*	.	H	α-helix	trans	-57.4	-24.2	176.5	-26.8	35.5	0	0	0	114	R23	P19-R23 VanDerWaalsContact O-CG 3.28Å; P19-R23 WeakPolarHBondContact O-CG 3.48Å; P19-R23 PolarHBondContact O-N 3.38Å
20	E	97.7	Very high	92.6	Very high	99 Å²	99	77.2 Å²	77.2	46%	0.463	41%	0.411	S	S	.	.	H	α-helix	trans	-75.2	-42.5	175.4	-167.7	56.6	-150.9	0	0	112.3	T18 D22 R23 I24	T18-E20 PolarHBondContact O-N 3.27Å; E20-D22 PolarHBondContact O-N 2.89Å; E20-R23 PolarHBondContact O-N 3.04Å; E20-R23 WeakPolarHBondContact OE2-CD 3.46Å; E20-R23 IonicContact OE2-CZ 3.71Å; E20-R23 IonicContact OE2-NE 3.99Å; E20-R23 IonicContact OE2-NH1 2.69Å; E20-R23 PolarHBondContact OE2-NH1 2.81Å; E20-I24 HydrophobicContact CG-CD1 4.31Å; E20-I24 VanDerWaalsContact O-CG1 3.32Å; E20-I24 WeakPolarHBondContact O-CG1 3.39Å; E20-I24 PolarHBondContact O-N 3.06Å
21	E	97.8	Very high	94.3	Very high	8 Å²	8	76.7 Å²	76.7	4%	0.037	40%	0.399	C	S	.	.	H	α-helix	trans	-63.1	-34.2	172.5	-69.8	167.5	122.8	0	0	111.8	W17 T18 L25 L46 R48	W17-E21 HydrophobicContact CE3-CB 3.74Å; W17-E21 HydrophobicContact CZ3-CB 3.99Å; T18-E21 PolarHBondContact N-OE2 3.04Å; T18-E21 PolarHBondContact O-N 3.31Å; T18-E21 VanDerWaalsContact OG1-CD 3.31Å; T18-E21 VanDerWaalsContact OG1-CG 3.25Å; T18-E21 WeakPolarHBondContact OG1-CG 3.34Å; T18-E21 PolarHBondContact OG1-N 3.33Å; T18-E21 PolarHBondContact OG1-OE2 2.59Å; E21-L25 WeakPolarHBondContact O-CB 3.44Å; E21-L25 PolarHBondContact O-N 3.25Å; E21-L46 HydrophobicContact CB-CD1 3.9Å; E21-L46 HydrophobicContact CG-CD1 3.89Å; E21-R48 IonicContact OE1-CZ 3.61Å; E21-R48 VanDerWaalsContact OE1-CZ 3.3Å; E21-R48 IonicContact OE1-NE 3.66Å; E21-R48 PolarHBondContact OE1-NE 3.15Å; E21-R48 IonicContact OE1-NH2 3.41Å; E21-R48 PolarHBondContact OE1-NH2 2.76Å; E21-R48 IonicContact OE2-CZ 3.81Å; E21-R48 IonicContact OE2-NE 3.04Å; E21-R48 IonicContact OE2-NH2 2.77Å; E21-R48 PolarHBondContact OE2-NH2 2.97Å
22	D	98.1	Very high	95.3	Very high	18 Å²	18	78.5 Å²	78.5	10%	0.096	39%	0.387	C	S	.	.	H	α-helix	trans	-65.3	-46.6	173.5	-67.3	-35.1	0	0	0	111.8	T18 E20 I24 L25 V26 R56 L61	T18-D22 PolarHBondContact O-N 3.01Å; E20-D22 PolarHBondContact O-N 2.89Å; D22-I24 PolarHBondContact O-N 3.36Å; D22-L25 PolarHBondContact O-N 3.17Å; D22-V26 VanDerWaalsContact O-CG2 3.28Å; D22-V26 WeakPolarHBondContact O-CG2 3.36Å; D22-V26 PolarHBondContact O-N 2.83Å; D22-R56 IonicContact OD1-CZ 3.74Å; D22-R56 IonicContact OD1-NE 2.78Å; D22-R56 PolarHBondContact OD1-NE 3.4Å; D22-R56 IonicContact OD1-NH2 3.87Å; D22-R56 PolarHBondContact OD1-NH2 3.26Å; D22-R56 IonicContact OD2-CZ 3.3Å; D22-R56 IonicContact OD2-NE 3Å; D22-R56 IonicContact OD2-NH2 2.75Å; D22-R56 PolarHBondContact OD2-NH2 3.45Å; D22-L61 HydrophobicContact CB-CD1 3.98Å; D22-L61 HydrophobicContact CB-CD2 3.79Å
23	R	98.1	Very high	96	Very high	152 Å²	152	77.1 Å²	77.1	57%	0.574	39%	0.389	S	S	*	.	H	α-helix	trans	-57.4	-47	175.3	-74	165.9	-166.2	139.3	3.5	112	P19 E20 L25 V26 A27	P19-R23 VanDerWaalsContact O-CG 3.28Å; P19-R23 WeakPolarHBondContact O-CG 3.48Å; P19-R23 PolarHBondContact O-N 3.38Å; E20-R23 PolarHBondContact O-N 3.04Å; E20-R23 WeakPolarHBondContact OE2-CD 3.46Å; E20-R23 IonicContact OE2-CZ 3.71Å; E20-R23 IonicContact OE2-NE 3.99Å; E20-R23 IonicContact OE2-NH1 2.69Å; E20-R23 PolarHBondContact OE2-NH1 2.81Å; R23-L25 VanDerWaalsContact C-N 3.31Å; R23-L25 PolarHBondContact O-N 3.39Å; R23-V26 PolarHBondContact O-N 3.41Å; R23-A27 VanDerWaalsContact O-CB 3.26Å; R23-A27 WeakPolarHBondContact O-CB 3.44Å; R23-A27 PolarHBondContact O-N 3.01Å
24	I	97.7	Very high	96.4	Very high	60 Å²	60	75.2 Å²	75.2	31%	0.308	38%	0.381	S	S	.	.	H	α-helix	trans	-62.1	-41.4	179.1	-65.6	163.6	0	0	0	110.6	E20 D22 H28 A44 L46	E20-I24 HydrophobicContact CG-CD1 4.31Å; E20-I24 VanDerWaalsContact O-CG1 3.32Å; E20-I24 WeakPolarHBondContact O-CG1 3.39Å; E20-I24 PolarHBondContact O-N 3.06Å; D22-I24 PolarHBondContact O-N 3.36Å; I24-H28 VanDerWaalsContact O-CB 3.32Å; I24-H28 WeakPolarHBondContact O-CB 3.47Å; I24-H28 PolarHBondContact O-N 3Å; I24-A44 HydrophobicContact CG2-CB 4.23Å; I24-A44 WeakPolarHBondContact CG2-O 3.43Å; I24-L46 HydrophobicContact CB-CD1 4.04Å; I24-L46 HydrophobicContact CD1-CD1 4.25Å; I24-L46 HydrophobicContact CG2-CD1 3.87Å
25	L	98	Very high	96.8	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-65.5	-47	177	178.3	55.6	0	0	0	112.3	W17 E21 D22 R23 H28 I29 L40 L46 C53 R56 L61	W17-L25 HydrophobicContact CH2-CD2 3.63Å; W17-L25 HydrophobicContact CZ3-CB 4.17Å; W17-L25 HydrophobicContact CZ3-CD2 3.58Å; W17-L25 HydrophobicContact CZ3-CG 4.5Å; E21-L25 WeakPolarHBondContact O-CB 3.44Å; E21-L25 PolarHBondContact O-N 3.25Å; D22-L25 PolarHBondContact O-N 3.17Å; R23-L25 VanDerWaalsContact C-N 3.31Å; R23-L25 PolarHBondContact O-N 3.39Å; L25-H28 PolarHBondContact O-N 3.43Å; L25-I29 HydrophobicContact CD1-CD1 3.6Å; L25-I29 HydrophobicContact CD1-CG1 4.22Å; L25-I29 HydrophobicContact CG-CD1 4.08Å; L25-I29 VanDerWaalsContact O-CG1 3.29Å; L25-I29 WeakPolarHBondContact O-CG1 3.31Å; L25-I29 PolarHBondContact O-N 2.9Å; L25-I29 VanDerWaalsContact O-N 3.12Å; L25-L40 HydrophobicContact CD1-CD2 3.53Å; L25-L46 HydrophobicContact CB-CD2 4.42Å; L25-C53 HydrophobicContact CD1-CB 3.98Å; L25-C53 HydrophobicContact CD2-CB 4.27Å; L25-R56 HydrophobicContact CD2-CB 4.11Å; L25-R56 HydrophobicContact CD2-CG 4.19Å; L25-L61 HydrophobicContact CB-CD1 4.32Å; L25-L61 HydrophobicContact CD2-CD1 3.72Å; L25-L61 HydrophobicContact CG-CD1 4.12Å
26	V	98	Very high	96.9	Very high	35 Å²	35	71 Å²	71	21%	0.212	38%	0.375	C	S	.	.	H	α-helix	trans	-59.3	-56.3	175.9	172.4	0	0	0	0	110.3	D22 R23 H28 I29 E30 W57 L61	D22-V26 VanDerWaalsContact O-CG2 3.28Å; D22-V26 WeakPolarHBondContact O-CG2 3.36Å; D22-V26 PolarHBondContact O-N 2.83Å; R23-V26 PolarHBondContact O-N 3.41Å; V26-H28 PolarHBondContact O-N 3.18Å; V26-H28 VanDerWaalsContact O-N 3.17Å; V26-I29 PolarHBondContact O-N 3.28Å; V26-E30 HydrophobicContact CG1-CG 4.18Å; V26-E30 WeakPolarHBondContact CG1-OE1 3.21Å; V26-E30 WeakPolarHBondContact O-CG 3.4Å; V26-E30 PolarHBondContact O-N 3.2Å; V26-W57 HydrophobicContact CG2-CZ3 4.1Å; V26-L61 HydrophobicContact CG2-CB 4.14Å; V26-L61 HydrophobicContact CG2-CD1 4.16Å
27	A	97.5	Very high	96.9	Very high	36 Å²	36	67.4 Å²	67.4	30%	0.298	35%	0.345	S	S	.	.	H	α-helix	trans	-66.5	-20.5	-175.2	0	0	0	0	0	113.6	R23 R31	R23-A27 VanDerWaalsContact O-CB 3.26Å; R23-A27 WeakPolarHBondContact O-CB 3.44Å; R23-A27 PolarHBondContact O-N 3.01Å; A27-R31 PolarHBondContact O-NH1 2.62Å
28	H	97.7	Very high	96.7	Very high	15 Å²	15	72 Å²	72	7%	0.069	36%	0.363	C	S	.	.	H	α-helix	trans	-76	-45.8	168.5	-175.3	91.1	0	0	0	111.3	I24 L25 V26 R31 H32 A44	I24-H28 VanDerWaalsContact O-CB 3.32Å; I24-H28 WeakPolarHBondContact O-CB 3.47Å; I24-H28 PolarHBondContact O-N 3Å; L25-H28 PolarHBondContact O-N 3.43Å; V26-H28 PolarHBondContact O-N 3.18Å; V26-H28 VanDerWaalsContact O-N 3.17Å; H28-R31 PolarHBondContact O-N 3.21Å; H28-H32 AromaticContact CE1-CD2 3.47Å; H28-H32 PolarHBondContact CE1-CD2 3.49Å; H28-H32 VanDerWaalsContact CE1-CD2 3.47Å; H28-H32 AromaticContact CG-CD2 4Å; H28-H32 AromaticContact ND1-CD2 3.56Å; H28-H32 AromaticContact NE2-CD2 3.89Å; H28-H32 PolarHBondContact O-CD2 3.22Å; H28-H32 PolarHBondContact O-N 3.23Å; H28-A44 HydrophobicContact CB-CB 3.89Å
29	I	97.7	Very high	96.4	Very high	11 Å²	11	70.3 Å²	70.3	6%	0.056	36%	0.355	C	S	.	.	H	α-helix	trans	-66.1	-38.4	-178.7	-71.1	174.9	0	0	0	111.7	L25 V26 R31 G33 H34 W37 L40 W57	L25-I29 HydrophobicContact CD1-CD1 3.6Å; L25-I29 HydrophobicContact CD1-CG1 4.22Å; L25-I29 HydrophobicContact CG-CD1 4.08Å; L25-I29 VanDerWaalsContact O-CG1 3.29Å; L25-I29 WeakPolarHBondContact O-CG1 3.31Å; L25-I29 PolarHBondContact O-N 2.9Å; L25-I29 VanDerWaalsContact O-N 3.12Å; V26-I29 PolarHBondContact O-N 3.28Å; I29-R31 VanDerWaalsContact C-N 3.27Å; I29-R31 PolarHBondContact O-N 3.13Å; I29-G33 WeakPolarHBondContact O-CA 3.25Å; I29-G33 PolarHBondContact O-N 3.17Å; I29-H34 HydrophobicContact CD1-CB 4.28Å; I29-H34 HydrophobicContact CG1-CB 4.16Å; I29-H34 HydrophobicContact CG2-CB 4.35Å; I29-W37 HydrophobicContact CD1-CH2 3.73Å; I29-W37 HydrophobicContact CD1-CZ3 3.94Å; I29-L40 HydrophobicContact CD1-CD1 4.22Å; I29-L40 HydrophobicContact CG1-CD1 3.9Å; I29-W57 HydrophobicContact CB-CH2 4.39Å; I29-W57 HydrophobicContact CB-CZ3 4.36Å; I29-W57 HydrophobicContact CD1-CB 4.28Å; I29-W57 HydrophobicContact CD1-CD2 3.58Å; I29-W57 HydrophobicContact CD1-CE3 3.55Å; I29-W57 HydrophobicContact CD1-CG 3.91Å; I29-W57 HydrophobicContact CD1-CZ3 4.12Å; I29-W57 HydrophobicContact CG2-CD2 4.46Å; I29-W57 HydrophobicContact CG2-CE3 4.49Å; I29-W57 HydrophobicContact CG2-CH2 3.73Å; I29-W57 HydrophobicContact CG2-CZ2 3.66Å; I29-W57 HydrophobicContact CG2-CZ3 4.15Å
30	E	96.9	Very high	96.3	Very high	151 Å²	151	66.3 Å²	66.3	71%	0.706	33%	0.329	S	S	*	.	H	α-helix	trans	-64.2	-31.5	175.6	-69.7	172.2	156.7	0	0	112.6	V26	V26-E30 HydrophobicContact CG1-CG 4.18Å; V26-E30 WeakPolarHBondContact CG1-OE1 3.21Å; V26-E30 WeakPolarHBondContact O-CG 3.4Å; V26-E30 PolarHBondContact O-N 3.2Å
31	R	96.8	Very high	96.1	Very high	167 Å²	167	62 Å²	62	63%	0.63	31%	0.31	S	S	*	.	H	α-helix	trans	-90.1	-28.7	-177.6	-166.9	-178.9	-60.4	87.9	9.3	114	A27 H28 I29	A27-R31 PolarHBondContact O-NH1 2.62Å; H28-R31 PolarHBondContact O-N 3.21Å; I29-R31 VanDerWaalsContact C-N 3.27Å; I29-R31 PolarHBondContact O-N 3.13Å
32	H	96.5	Very high	95.9	Very high	115 Å²	115	69.1 Å²	69.1	53%	0.532	34%	0.341	S	S	.	.	H	α-helix	trans	-130	-4.4	-170.6	-54.5	-65.6	0	0	0	114.5	H28	H28-H32 AromaticContact CE1-CD2 3.47Å; H28-H32 PolarHBondContact CE1-CD2 3.49Å; H28-H32 VanDerWaalsContact CE1-CD2 3.47Å; H28-H32 AromaticContact CG-CD2 4Å; H28-H32 AromaticContact ND1-CD2 3.56Å; H28-H32 AromaticContact NE2-CD2 3.89Å; H28-H32 PolarHBondContact O-CD2 3.22Å; H28-H32 PolarHBondContact O-N 3.23Å
33	G	96	Very high	95.7	Very high	35 Å²	35	74.3 Å²	74.3	36%	0.361	36%	0.364	S	S	.	.			trans	68.4	-166	-168.8	0	0	0	0	0	112.8	I29	I29-G33 WeakPolarHBondContact O-CA 3.25Å; I29-G33 PolarHBondContact O-N 3.17Å
34	H	94.5	Very high	95.5	Very high	79 Å²	79	67.9 Å²	67.9	37%	0.366	34%	0.344	S	S	.	.	S	Bend	trans	-135	46.1	-178.3	57.6	49.1	0	0	0	112.6	I29 W37 L40 W57	I29-H34 HydrophobicContact CD1-CB 4.28Å; I29-H34 HydrophobicContact CG1-CB 4.16Å; I29-H34 HydrophobicContact CG2-CB 4.35Å; H34-W37 HydrophobicContact CB-CD2 4.47Å; H34-W37 HydrophobicContact CB-CH2 3.63Å; H34-W37 HydrophobicContact CB-CZ2 3.42Å; H34-W37 VanDerWaalsContact CB-CZ2 3.42Å; H34-W37 HydrophobicContact CB-CZ3 4.26Å; H34-W37 AromaticContact CD2-CZ2 3.86Å; H34-W37 AromaticContact CG-CH2 3.97Å; H34-W37 AromaticContact CG-CZ2 3.47Å; H34-W37 VanDerWaalsContact CG-CZ2 3.47Å; H34-W37 AromaticContact ND1-CZ2 3.94Å; H34-W37 PolarHBondContact O-NE1 2.97Å; H34-L40 HydrophobicContact CB-CD1 4.21Å; H34-W57 AromaticContact CD2-CD1 3.88Å; H34-W57 AromaticContact CD2-CE2 3.92Å; H34-W57 AromaticContact CD2-NE1 3.29Å; H34-W57 PolarHBondContact CD2-NE1 2.87Å; H34-W57 VanDerWaalsContact CD2-NE1 3.29Å; H34-W57 AromaticContact NE2-NE1 3.4Å; H34-W57 PolarHBondContact NE2-NE1 3.17Å
35	S	93.9	Very high	95.3	Very high	121 Å²	121	68.3 Å²	68.3	85%	0.846	36%	0.363	S	S	*	.	S	Bend	trans	-67	-40.7	-179.3	56.5	0	0	0	0	112.9
36	N	94.1	Very high	95.2	Very high	83 Å²	83	68.8 Å²	68.8	44%	0.444	37%	0.365	S	S	.	.			trans	-124.5	85	-178.6	-173.3	-4.7	0	0	0	112.8	R38 A39 L40	N36-R38 PolarHBondContact O-N 3.43Å; N36-R38 WeakPolarHBondContact OD1-CB 3.37Å; N36-R38 PolarHBondContact OD1-N 2.83Å; N36-R38 VanDerWaalsContact OD1-N 3.09Å; N36-A39 HydrophobicContact CB-CB 4.41Å; N36-A39 PolarHBondContact O-N 3.01Å; N36-A39 VanDerWaalsContact O-N 3.1Å; N36-A39 PolarHBondContact OD1-N 3.32Å; N36-L40 PolarHBondContact O-N 3.31Å; N36-L40 VanDerWaalsContact O-N 3.1Å
37	W	95.2	Very high	94.9	Very high	42 Å²	42	69.3 Å²	69.3	16%	0.159	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-24.4	175.1	-68.3	104.1	0	0	0	115.1	I29 H34 L40 P41 G50 C53 R54 W57	I29-W37 HydrophobicContact CD1-CH2 3.73Å; I29-W37 HydrophobicContact CD1-CZ3 3.94Å; H34-W37 HydrophobicContact CB-CD2 4.47Å; H34-W37 HydrophobicContact CB-CH2 3.63Å; H34-W37 HydrophobicContact CB-CZ2 3.42Å; H34-W37 VanDerWaalsContact CB-CZ2 3.42Å; H34-W37 HydrophobicContact CB-CZ3 4.26Å; H34-W37 AromaticContact CD2-CZ2 3.86Å; H34-W37 AromaticContact CG-CH2 3.97Å; H34-W37 AromaticContact CG-CZ2 3.47Å; H34-W37 VanDerWaalsContact CG-CZ2 3.47Å; H34-W37 AromaticContact ND1-CZ2 3.94Å; H34-W37 PolarHBondContact O-NE1 2.97Å; W37-L40 HydrophobicContact CE3-CD1 3.88Å; W37-L40 HydrophobicContact CZ3-CD1 3.84Å; W37-P41 WeakPolarHBondContact O-CD 3.33Å; W37-G50 WeakPolarHBondContact O-CA 3.34Å; W37-C53 HydrophobicContact CE3-CB 4.25Å; W37-C53 HydrophobicContact CZ3-CB 4.3Å; W37-R54 HydrophobicContact CB-CB 4.37Å; W37-R54 HydrophobicContact CD2-CB 3.52Å; W37-R54 HydrophobicContact CD2-CG 3.82Å; W37-R54 VanDerWaalsContact CE3-CA 3.41Å; W37-R54 HydrophobicContact CE3-CB 3.66Å; W37-R54 HydrophobicContact CE3-CG 4.35Å; W37-R54 HydrophobicContact CG-CB 3.85Å; W37-R54 HydrophobicContact CG-CG 4.08Å; W37-R54 HydrophobicContact CZ2-CB 4.47Å; W37-R54 HydrophobicContact CZ2-CG 4.18Å; W37-R54 VanDerWaalsContact CZ3-CA 3.5Å; W37-R54 HydrophobicContact CZ3-CB 4.22Å; W37-W57 HydrophobicContact CH2-CB 3.52Å; W37-W57 AromaticContact CH2-CD1 3.54Å; W37-W57 AromaticContact CH2-CG 3.61Å; W37-W57 HydrophobicContact CH2-CG 3.61Å; W37-W57 HydrophobicContact CZ2-CB 4.44Å; W37-W57 AromaticContact CZ2-CD1 3.83Å; W37-W57 HydrophobicContact CZ2-CG 4.33Å; W37-W57 HydrophobicContact CZ3-CB 4.08Å
38	R	92.7	Very high	94.8	Very high	134 Å²	134	68 Å²	68	51%	0.506	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-36.3	179.2	-64.2	-179	173.8	-149	-5.2	112.6	N36	N36-R38 PolarHBondContact O-N 3.43Å; N36-R38 WeakPolarHBondContact OD1-CB 3.37Å; N36-R38 PolarHBondContact OD1-N 2.83Å; N36-R38 VanDerWaalsContact OD1-N 3.09Å
39	A	92.4	Very high	94.6	Very high	29 Å²	29	68.7 Å²	68.7	24%	0.24	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-33.9	-179.9	0	0	0	0	0	112.1	N36 P41 K42 Q43	N36-A39 HydrophobicContact CB-CB 4.41Å; N36-A39 PolarHBondContact O-N 3.01Å; N36-A39 VanDerWaalsContact O-N 3.1Å; N36-A39 PolarHBondContact OD1-N 3.32Å; A39-P41 WeakPolarHBondContact O-CD 3.49Å; A39-P41 VanDerWaalsContact O-N 3.11Å; A39-K42 PolarHBondContact O-N 2.75Å; A39-Q43 VanDerWaalsContact C-OE1 3.22Å; A39-Q43 HydrophobicContact CB-CG 4.43Å; A39-Q43 PolarHBondContact O-N 3.29Å; A39-Q43 VanDerWaalsContact O-N 3.13Å
40	L	94.8	Very high	94.4	Very high	3 Å²	3	68.4 Å²	68.4	2%	0.016	36%	0.362	C	S	.	.	H	α-helix	trans	-42	-48.2	-175.3	-169.4	157.6	0	0	0	115	L25 I29 H34 N36 W37 K42 Q43 A44 C53	L25-L40 HydrophobicContact CD1-CD2 3.53Å; I29-L40 HydrophobicContact CD1-CD1 4.22Å; I29-L40 HydrophobicContact CG1-CD1 3.9Å; H34-L40 HydrophobicContact CB-CD1 4.21Å; N36-L40 PolarHBondContact O-N 3.31Å; N36-L40 VanDerWaalsContact O-N 3.1Å; W37-L40 HydrophobicContact CE3-CD1 3.88Å; W37-L40 HydrophobicContact CZ3-CD1 3.84Å; L40-K42 PolarHBondContact O-N 3.41Å; L40-Q43 CarbonylContact O-C 3.59Å; L40-Q43 PolarHBondContact O-N 3.48Å; L40-A44 HydrophobicContact CD2-CB 4.38Å; L40-A44 VanDerWaalsContact O-CB 3.28Å; L40-A44 WeakPolarHBondContact O-CB 3.49Å; L40-A44 PolarHBondContact O-N 3.34Å; L40-C53 HydrophobicContact CD2-CB 4.24Å
41	P	93.7	Very high	94.2	Very high	7 Å²	7	68.9 Å²	68.9	5%	0.045	36%	0.362	C	S	.	.	H	α-helix	trans	-65.4	-39.7	-177.2	-11.8	23.8	0	0	0	112.8	W37 A39 Q43 A44 G45 L46 R48	W37-P41 WeakPolarHBondContact O-CD 3.33Å; A39-P41 WeakPolarHBondContact O-CD 3.49Å; A39-P41 VanDerWaalsContact O-N 3.11Å; P41-Q43 VanDerWaalsContact C-N 3.31Å; P41-Q43 PolarHBondContact O-N 3.06Å; P41-A44 PolarHBondContact O-N 3.3Å; P41-G45 PolarHBondContact O-N 3.33Å; P41-G45 VanDerWaalsContact O-N 3.17Å; P41-L46 PolarHBondContact O-N 2.97Å; P41-R48 WeakPolarHBondContact CB-O 3.49Å; P41-R48 WeakPolarHBondContact CG-O 3.47Å
42	K	92.7	Very high	94.2	Very high	159 Å²	159	62.5 Å²	62.5	69%	0.691	34%	0.343	S	S	*	.	H	α-helix	trans	-67.6	-33.4	175.9	-67.9	-165.4	175.6	-168.9	0	111.3	E8 A39 L40	E8-K42 IonicContact OE2-NZ 3.58Å; E8-K42 PolarHBondContact OE2-NZ 3.15Å; A39-K42 PolarHBondContact O-N 2.75Å; L40-K42 PolarHBondContact O-N 3.41Å
43	Q	93.9	Very high	94.2	Very high	126 Å²	126	57 Å²	57	59%	0.589	32%	0.318	S	S	*	.	H	α-helix	trans	-78.1	-25.8	177.7	-61.5	172	-70.6	0	0	113.4	A39 L40 P41	A39-Q43 VanDerWaalsContact C-OE1 3.22Å; A39-Q43 HydrophobicContact CB-CG 4.43Å; A39-Q43 PolarHBondContact O-N 3.29Å; A39-Q43 VanDerWaalsContact O-N 3.13Å; L40-Q43 CarbonylContact O-C 3.59Å; L40-Q43 PolarHBondContact O-N 3.48Å; P41-Q43 VanDerWaalsContact C-N 3.31Å; P41-Q43 PolarHBondContact O-N 3.06Å
44	A	95	Very high	94.3	Very high	17 Å²	17	62 Å²	62	14%	0.14	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-1.6	176.2	0	0	0	0	0	113.6	I24 H28 L40 P41 L46	I24-A44 HydrophobicContact CG2-CB 4.23Å; I24-A44 WeakPolarHBondContact CG2-O 3.43Å; H28-A44 HydrophobicContact CB-CB 3.89Å; L40-A44 HydrophobicContact CD2-CB 4.38Å; L40-A44 VanDerWaalsContact O-CB 3.28Å; L40-A44 WeakPolarHBondContact O-CB 3.49Å; L40-A44 PolarHBondContact O-N 3.34Å; P41-A44 PolarHBondContact O-N 3.3Å; A44-L46 HydrophobicContact CB-CB 4.26Å; A44-L46 PolarHBondContact O-N 2.92Å
45	G	93.9	Very high	94.3	Very high	69 Å²	69	62.5 Å²	62.5	71%	0.711	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	18.9	-174.3	0	0	0	0	0	114.2	P41	P41-G45 PolarHBondContact O-N 3.33Å; P41-G45 VanDerWaalsContact O-N 3.17Å
46	L	94.5	Very high	94.5	Very high	10 Å²	10	59.1 Å²	59.1	5%	0.052	30%	0.299	C	S	.	.			trans	-97.8	126.9	-166.4	-159.1	72.9	0	0	0	111.8	W17 E21 I24 L25 P41 A44 R48	W17-L46 HydrophobicContact CH2-CD2 3.56Å; W17-L46 HydrophobicContact CZ3-CD2 3.66Å; E21-L46 HydrophobicContact CB-CD1 3.9Å; E21-L46 HydrophobicContact CG-CD1 3.89Å; I24-L46 HydrophobicContact CB-CD1 4.04Å; I24-L46 HydrophobicContact CD1-CD1 4.25Å; I24-L46 HydrophobicContact CG2-CD1 3.87Å; L25-L46 HydrophobicContact CB-CD2 4.42Å; P41-L46 PolarHBondContact O-N 2.97Å; A44-L46 HydrophobicContact CB-CB 4.26Å; A44-L46 PolarHBondContact O-N 2.92Å; L46-R48 HydrophobicContact CD2-CB 4.29Å; L46-R48 HydrophobicContact CD2-CG 4.17Å; L46-R48 HydrophobicContact CG-CB 4.42Å; L46-R48 HydrophobicContact CG-CG 4.15Å; L46-R48 PolarHBondContact O-N 3.14Å
47	P	93.2	Very high	94.7	Very high	46 Å²	46	56 Å²	56	30%	0.299	28%	0.281	S	S	.	.	S	Bend	trans	-79.5	45.5	-175.4	34.9	-38.5	0	0	0	112.9	L12 K13	L12-P47 CarbonylContact C-O 3.59Å; K13-P47 HydrophobicContact CD-CG 3.85Å; K13-P47 HydrophobicContact CG-CB 4.26Å; K13-P47 HydrophobicContact CG-CG 4.1Å; K13-P47 PolarHBondContact N-O 3.36Å
48	R	94.7	Very high	94.8	Very high	10 Å²	10	57 Å²	57	4%	0.038	29%	0.289	C	S	.	.	S	Bend	trans	-128.1	161.2	-177	-61.9	-64.6	-176.6	147.2	8.2	110	K13 G15 P16 W17 E21 P41 L46	K13-R48 WeakPolarHBondContact O-CD 3.22Å; K13-R48 PolarHBondContact O-NH1 3.08Å; G15-R48 PolarHBondContact O-NH1 2.79Å; P16-R48 PolarHBondContact O-NH2 3.09Å; W17-R48 HydrophobicContact CH2-CB 4.23Å; W17-R48 HydrophobicContact CH2-CG 3.95Å; W17-R48 HydrophobicContact CZ2-CB 4.09Å; W17-R48 HydrophobicContact CZ2-CG 3.84Å; E21-R48 IonicContact OE1-CZ 3.61Å; E21-R48 VanDerWaalsContact OE1-CZ 3.3Å; E21-R48 IonicContact OE1-NE 3.66Å; E21-R48 PolarHBondContact OE1-NE 3.15Å; E21-R48 IonicContact OE1-NH2 3.41Å; E21-R48 PolarHBondContact OE1-NH2 2.76Å; E21-R48 IonicContact OE2-CZ 3.81Å; E21-R48 IonicContact OE2-NE 3.04Å; E21-R48 IonicContact OE2-NH2 2.77Å; E21-R48 PolarHBondContact OE2-NH2 2.97Å; P41-R48 WeakPolarHBondContact CB-O 3.49Å; P41-R48 WeakPolarHBondContact CG-O 3.47Å; L46-R48 HydrophobicContact CD2-CB 4.29Å; L46-R48 HydrophobicContact CD2-CG 4.17Å; L46-R48 HydrophobicContact CG-CB 4.42Å; L46-R48 HydrophobicContact CG-CG 4.15Å; L46-R48 PolarHBondContact O-N 3.14Å
49	C	93.5	Very high	95	Very high	29 Å²	29	51.2 Å²	51.2	20%	0.196	27%	0.268	C	S	.	.			trans	-89.1	156.4	174	73.4	0	0	0	0	111.9	C7 L12 K51 S52 C53	C7-C49 HydrophobicContact CB-CB 4.48Å; C7-C49 WeakPolarHBondContact SG-CB 3.42Å; L12-C49 HydrophobicContact CD1-CB 4.16Å; C49-K51 VanDerWaalsContact C-N 3.27Å; C49-K51 PolarHBondContact O-N 3.41Å; C49-S52 WeakPolarHBondContact O-CA 3.24Å; C49-S52 WeakPolarHBondContact O-CB 3.39Å; C49-S52 PolarHBondContact O-N 3.02Å; C49-C53 PolarHBondContact O-N 2.94Å; C49-C53 VanDerWaalsContact O-N 3.09Å
50	G	93.9	Very high	95.2	Very high	4 Å²	4	55.4 Å²	55.4	4%	0.041	28%	0.279	C	S	.	.	H	α-helix	trans	-57.4	-35.3	-177.7	0	0	0	0	0	115	W37 S52 C53 R54	W37-G50 WeakPolarHBondContact O-CA 3.34Å; G50-S52 VanDerWaalsContact C-N 3.31Å; G50-S52 PolarHBondContact O-N 2.92Å; G50-C53 PolarHBondContact O-N 3.48Å; G50-R54 PolarHBondContact O-N 3.13Å
51	K	93.2	Very high	95.3	Very high	162 Å²	162	57 Å²	57	70%	0.704	29%	0.287	S	S	*	.	H	α-helix	trans	-62.3	-38.2	172.9	-176.7	177	178	179.9	0	111.7	C49 L55	C49-K51 VanDerWaalsContact C-N 3.27Å; C49-K51 PolarHBondContact O-N 3.41Å; K51-L55 WeakPolarHBondContact O-CB 3.24Å; K51-L55 PolarHBondContact O-N 3.4Å; K51-L55 VanDerWaalsContact O-N 3.08Å
52	S	95.1	Very high	95.4	Very high	32 Å²	32	62 Å²	62	22%	0.224	31%	0.305	C	S	.	.	H	α-helix	trans	-70.3	-45.5	178.7	-163.5	0	0	0	0	111.2	W17 C49 G50 R54 L55 R56	W17-S52 PolarHBondContact NE1-OG 2.86Å; C49-S52 WeakPolarHBondContact O-CA 3.24Å; C49-S52 WeakPolarHBondContact O-CB 3.39Å; C49-S52 PolarHBondContact O-N 3.02Å; G50-S52 VanDerWaalsContact C-N 3.31Å; G50-S52 PolarHBondContact O-N 2.92Å; S52-R54 PolarHBondContact O-N 3.33Å; S52-L55 PolarHBondContact O-N 2.87Å; S52-R56 WeakPolarHBondContact O-CB 3.47Å; S52-R56 PolarHBondContact O-N 2.86Å
53	C	96.9	Very high	95.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.5	-44	176.4	-56.6	0	0	0	0	112	W17 L25 W37 L40 C49 G50 R56 W57	W17-C53 HydrophobicContact CH2-CB 4.34Å; L25-C53 HydrophobicContact CD1-CB 3.98Å; L25-C53 HydrophobicContact CD2-CB 4.27Å; W37-C53 HydrophobicContact CE3-CB 4.25Å; W37-C53 HydrophobicContact CZ3-CB 4.3Å; L40-C53 HydrophobicContact CD2-CB 4.24Å; C49-C53 PolarHBondContact O-N 2.94Å; C49-C53 VanDerWaalsContact O-N 3.09Å; G50-C53 PolarHBondContact O-N 3.48Å; C53-R56 PolarHBondContact O-N 3.49Å; C53-W57 WeakPolarHBondContact O-CB 3.48Å; C53-W57 PolarHBondContact O-N 3.47Å
54	R	97.4	Very high	95.6	Very high	139 Å²	139	57.7 Å²	57.7	53%	0.525	30%	0.3	S	S	.	.	H	α-helix	trans	-58.7	-50.6	175.1	-174.9	176.6	174.8	-166.1	-2.8	111.4	W37 G50 S52 R56 W57 I58	W37-R54 HydrophobicContact CB-CB 4.37Å; W37-R54 HydrophobicContact CD2-CB 3.52Å; W37-R54 HydrophobicContact CD2-CG 3.82Å; W37-R54 VanDerWaalsContact CE3-CA 3.41Å; W37-R54 HydrophobicContact CE3-CB 3.66Å; W37-R54 HydrophobicContact CE3-CG 4.35Å; W37-R54 HydrophobicContact CG-CB 3.85Å; W37-R54 HydrophobicContact CG-CG 4.08Å; W37-R54 HydrophobicContact CZ2-CB 4.47Å; W37-R54 HydrophobicContact CZ2-CG 4.18Å; W37-R54 VanDerWaalsContact CZ3-CA 3.5Å; W37-R54 HydrophobicContact CZ3-CB 4.22Å; G50-R54 PolarHBondContact O-N 3.13Å; S52-R54 PolarHBondContact O-N 3.33Å; R54-R56 VanDerWaalsContact C-N 3.34Å; R54-R56 PolarHBondContact O-N 3.48Å; R54-W57 PolarHBondContact O-N 3.04Å; R54-I58 HydrophobicContact CG-CD1 4.41Å; R54-I58 HydrophobicContact CG-CG2 4.41Å; R54-I58 WeakPolarHBondContact O-CG1 3.21Å; R54-I58 WeakPolarHBondContact O-CG2 3.29Å; R54-I58 PolarHBondContact O-N 3.08Å
55	L	96.3	Very high	95.6	Very high	91 Å²	91	57.6 Å²	57.6	48%	0.476	30%	0.297	S	S	.	.	H	α-helix	trans	-63.8	-38.4	-177.9	-173.4	65.6	0	0	0	112.1	K51 S52 N59	K51-L55 WeakPolarHBondContact O-CB 3.24Å; K51-L55 PolarHBondContact O-N 3.4Å; K51-L55 VanDerWaalsContact O-N 3.08Å; S52-L55 PolarHBondContact O-N 2.87Å; L55-N59 WeakPolarHBondContact O-CB 3.41Å; L55-N59 PolarHBondContact O-N 3.32Å
56	R	98	Very high	95.7	Very high	50 Å²	50	58.5 Å²	58.5	19%	0.189	28%	0.281	C	S	.	.	H	α-helix	trans	-65.3	-46.1	175.9	-174.1	64.8	174.2	167.2	-6.8	111.4	W17 D22 L25 S52 C53 R54 Y60 L61	W17-R56 HydrophobicContact CD2-CB 3.98Å; W17-R56 HydrophobicContact CD2-CG 3.56Å; W17-R56 HydrophobicContact CE3-CB 4.34Å; W17-R56 HydrophobicContact CE3-CG 3.73Å; W17-R56 HydrophobicContact CG-CB 4.49Å; W17-R56 HydrophobicContact CG-CG 3.92Å; W17-R56 HydrophobicContact CH2-CB 4.24Å; W17-R56 HydrophobicContact CH2-CG 4.45Å; W17-R56 HydrophobicContact CZ2-CB 3.87Å; W17-R56 HydrophobicContact CZ2-CG 4.31Å; W17-R56 HydrophobicContact CZ3-CB 4.45Å; W17-R56 HydrophobicContact CZ3-CG 4.16Å; D22-R56 IonicContact OD1-CZ 3.74Å; D22-R56 IonicContact OD1-NE 2.78Å; D22-R56 PolarHBondContact OD1-NE 3.4Å; D22-R56 IonicContact OD1-NH2 3.87Å; D22-R56 PolarHBondContact OD1-NH2 3.26Å; D22-R56 IonicContact OD2-CZ 3.3Å; D22-R56 IonicContact OD2-NE 3Å; D22-R56 IonicContact OD2-NH2 2.75Å; D22-R56 PolarHBondContact OD2-NH2 3.45Å; L25-R56 HydrophobicContact CD2-CB 4.11Å; L25-R56 HydrophobicContact CD2-CG 4.19Å; S52-R56 WeakPolarHBondContact O-CB 3.47Å; S52-R56 PolarHBondContact O-N 2.86Å; C53-R56 PolarHBondContact O-N 3.49Å; R54-R56 VanDerWaalsContact C-N 3.34Å; R54-R56 PolarHBondContact O-N 3.48Å; R56-Y60 WeakPolarHBondContact O-CA 3.37Å; R56-Y60 WeakPolarHBondContact O-CB 3.32Å; R56-Y60 PolarHBondContact O-N 3.01Å; R56-L61 HydrophobicContact CG-CD1 3.72Å; R56-L61 HydrophobicContact CG-CG 4.03Å; R56-L61 PolarHBondContact O-N 2.93Å
57	W	98	Very high	95.7	Very high	18 Å²	18	64.6 Å²	64.6	7%	0.068	30%	0.304	C	S	.	.	I	π-helix	trans	-59.2	-58.8	178.2	-179.9	-108.4	0	0	0	112.1	V26 I29 H34 W37 C53 R54 N59 Y60 L61 R62	V26-W57 HydrophobicContact CG2-CZ3 4.1Å; I29-W57 HydrophobicContact CB-CH2 4.39Å; I29-W57 HydrophobicContact CB-CZ3 4.36Å; I29-W57 HydrophobicContact CD1-CB 4.28Å; I29-W57 HydrophobicContact CD1-CD2 3.58Å; I29-W57 HydrophobicContact CD1-CE3 3.55Å; I29-W57 HydrophobicContact CD1-CG 3.91Å; I29-W57 HydrophobicContact CD1-CZ3 4.12Å; I29-W57 HydrophobicContact CG2-CD2 4.46Å; I29-W57 HydrophobicContact CG2-CE3 4.49Å; I29-W57 HydrophobicContact CG2-CH2 3.73Å; I29-W57 HydrophobicContact CG2-CZ2 3.66Å; I29-W57 HydrophobicContact CG2-CZ3 4.15Å; H34-W57 AromaticContact CD2-CD1 3.88Å; H34-W57 AromaticContact CD2-CE2 3.92Å; H34-W57 AromaticContact CD2-NE1 3.29Å; H34-W57 PolarHBondContact CD2-NE1 2.87Å; H34-W57 VanDerWaalsContact CD2-NE1 3.29Å; H34-W57 AromaticContact NE2-NE1 3.4Å; H34-W57 PolarHBondContact NE2-NE1 3.17Å; W37-W57 HydrophobicContact CH2-CB 3.52Å; W37-W57 AromaticContact CH2-CD1 3.54Å; W37-W57 AromaticContact CH2-CG 3.61Å; W37-W57 HydrophobicContact CH2-CG 3.61Å; W37-W57 HydrophobicContact CZ2-CB 4.44Å; W37-W57 AromaticContact CZ2-CD1 3.83Å; W37-W57 HydrophobicContact CZ2-CG 4.33Å; W37-W57 HydrophobicContact CZ3-CB 4.08Å; C53-W57 WeakPolarHBondContact O-CB 3.48Å; C53-W57 PolarHBondContact O-N 3.47Å; R54-W57 PolarHBondContact O-N 3.04Å; W57-N59 VanDerWaalsContact C-N 3.25Å; W57-N59 PolarHBondContact O-N 2.78Å; W57-Y60 PolarHBondContact O-N 3.44Å; W57-L61 HydrophobicContact CE3-CB 3.72Å; W57-L61 HydrophobicContact CZ3-CB 4.13Å; W57-L61 PolarHBondContact O-N 2.94Å; W57-L61 VanDerWaalsContact O-N 3.17Å; W57-R62 HydrophobicContact CD2-CB 4.27Å; W57-R62 HydrophobicContact CZ2-CB 4.2Å; W57-R62 HydrophobicContact CZ2-CG 3.93Å; W57-R62 WeakPolarHBondContact O-CB 3.33Å; W57-R62 PolarHBondContact O-N 3.2Å
58	I	96.6	Very high	95.7	Very high	62 Å²	62	65 Å²	65	32%	0.318	32%	0.316	S	S	.	.	I	π-helix	trans	-68.3	-19.6	-170.9	69.5	-175.1	0	0	0	114.4	R54 I65 T100	R54-I58 HydrophobicContact CG-CD1 4.41Å; R54-I58 HydrophobicContact CG-CG2 4.41Å; R54-I58 WeakPolarHBondContact O-CG1 3.21Å; R54-I58 WeakPolarHBondContact O-CG2 3.29Å; R54-I58 PolarHBondContact O-N 3.08Å; I58-I65 VanDerWaalsContact O-CD1 3.24Å; I58-I65 WeakPolarHBondContact O-CD1 3.37Å; I58-T100 WeakPolarHBondContact O-CG2 3.4Å
59	N	97.1	Very high	95.7	Very high	12 Å²	12	71.9 Å²	71.9	6%	0.064	35%	0.354	C	S	.	.	I	π-helix	trans	-105.1	-28.1	179.2	-69.7	-1.6	0	0	0	113.9	L55 W57 I65 R67	L55-N59 WeakPolarHBondContact O-CB 3.41Å; L55-N59 PolarHBondContact O-N 3.32Å; W57-N59 VanDerWaalsContact C-N 3.25Å; W57-N59 PolarHBondContact O-N 2.78Å; N59-I65 VanDerWaalsContact C-CD1 3.46Å; N59-R67 PolarHBondContact O-NH2 3.44Å
60	Y	96.8	Very high	95.9	Very high	118 Å²	118	72.3 Å²	72.3	46%	0.463	35%	0.352	S	S	.	.	I	π-helix	trans	-129.1	-30.1	-167.1	-60.4	-81	0	0	0	116	R56 W57 R67	R56-Y60 WeakPolarHBondContact O-CA 3.37Å; R56-Y60 WeakPolarHBondContact O-CB 3.32Å; R56-Y60 PolarHBondContact O-N 3.01Å; W57-Y60 PolarHBondContact O-N 3.44Å; Y60-R67 VanDerWaalsContact CA-NH2 3.33Å; Y60-R67 PolarHBondContact O-NH2 3.44Å
61	L	97.2	Very high	96	Very high	36 Å²	36	75.2 Å²	75.2	19%	0.188	37%	0.369	C	S	.	.	I	π-helix	trans	-114.7	-18.6	-169.5	-54	178.2	0	0	0	115.2	D22 L25 V26 R56 W57	D22-L61 HydrophobicContact CB-CD1 3.98Å; D22-L61 HydrophobicContact CB-CD2 3.79Å; L25-L61 HydrophobicContact CB-CD1 4.32Å; L25-L61 HydrophobicContact CD2-CD1 3.72Å; L25-L61 HydrophobicContact CG-CD1 4.12Å; V26-L61 HydrophobicContact CG2-CB 4.14Å; V26-L61 HydrophobicContact CG2-CD1 4.16Å; R56-L61 HydrophobicContact CG-CD1 3.72Å; R56-L61 HydrophobicContact CG-CG 4.03Å; R56-L61 PolarHBondContact O-N 2.93Å; W57-L61 HydrophobicContact CE3-CB 3.72Å; W57-L61 HydrophobicContact CZ3-CB 4.13Å; W57-L61 PolarHBondContact O-N 2.94Å; W57-L61 VanDerWaalsContact O-N 3.17Å
62	R	96	Very high	96	Very high	112 Å²	112	75.3 Å²	75.3	42%	0.423	37%	0.365	S	S	.	.	S	Bend	trans	-64.7	132.3	178.3	-162.5	-177.5	170.2	-129.2	-11.2	109.7	W57 D64 I65	W57-R62 HydrophobicContact CD2-CB 4.27Å; W57-R62 HydrophobicContact CZ2-CB 4.2Å; W57-R62 HydrophobicContact CZ2-CG 3.93Å; W57-R62 WeakPolarHBondContact O-CB 3.33Å; W57-R62 PolarHBondContact O-N 3.2Å; R62-D64 WeakPolarHBondContact CD-OD1 3.48Å; R62-D64 WeakPolarHBondContact CG-OD1 3.35Å; R62-D64 VanDerWaalsContact CZ-CG 3.49Å; R62-D64 IonicContact CZ-OD1 2.95Å; R62-D64 IonicContact CZ-OD2 3.48Å; R62-D64 IonicContact NE-OD1 3.74Å; R62-D64 PolarHBondContact NE-OD1 3.01Å; R62-D64 IonicContact NE-OD2 2.69Å; R62-D64 IonicContact NH1-OD1 3.41Å; R62-D64 PolarHBondContact NH1-OD1 2.9Å; R62-D64 IonicContact NH1-OD2 2.66Å; R62-D64 PolarHBondContact NH1-OD2 3.25Å; R62-D64 IonicContact NH2-OD2 3.13Å; R62-D64 PolarHBondContact NH2-OD2 2.67Å; R62-D64 VanDerWaalsContact NH2-OD2 3.13Å; R62-D64 PolarHBondContact O-N 3.11Å; R62-I65 HydrophobicContact CB-CD1 3.9Å; R62-I65 HydrophobicContact CB-CG1 4.19Å; R62-I65 WeakPolarHBondContact O-CG1 3.28Å; R62-I65 PolarHBondContact O-N 3.04Å
63	P	95.5	Very high	96.1	Very high	121 Å²	121	80.1 Å²	80.1	79%	0.786	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-7.3	-167	28	-36.8	0	0	0	115.2
64	D	94.3	Very high	96.1	Very high	74 Å²	74	81 Å²	81	40%	0.396	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-8.7	176.2	66.1	-30.1	0	0	0	113.5	R62 G98	R62-D64 WeakPolarHBondContact CD-OD1 3.48Å; R62-D64 WeakPolarHBondContact CG-OD1 3.35Å; R62-D64 VanDerWaalsContact CZ-CG 3.49Å; R62-D64 IonicContact CZ-OD1 2.95Å; R62-D64 IonicContact CZ-OD2 3.48Å; R62-D64 IonicContact NE-OD1 3.74Å; R62-D64 PolarHBondContact NE-OD1 3.01Å; R62-D64 IonicContact NE-OD2 2.69Å; R62-D64 IonicContact NH1-OD1 3.41Å; R62-D64 PolarHBondContact NH1-OD1 2.9Å; R62-D64 IonicContact NH1-OD2 2.66Å; R62-D64 PolarHBondContact NH1-OD2 3.25Å; R62-D64 IonicContact NH2-OD2 3.13Å; R62-D64 PolarHBondContact NH2-OD2 2.67Å; R62-D64 VanDerWaalsContact NH2-OD2 3.13Å; R62-D64 PolarHBondContact O-N 3.11Å; D64-G98 WeakPolarHBondContact O-CA 3.43Å
65	I	96.3	Very high	96	Very high	15 Å²	15	75.8 Å²	75.8	8%	0.077	37%	0.37	C	S	.	.	S	Bend	trans	-84.9	121.2	-177.1	-44	167.3	0	0	0	110.5	I58 N59 R62 T100	I58-I65 VanDerWaalsContact O-CD1 3.24Å; I58-I65 WeakPolarHBondContact O-CD1 3.37Å; N59-I65 VanDerWaalsContact C-CD1 3.46Å; R62-I65 HydrophobicContact CB-CD1 3.9Å; R62-I65 HydrophobicContact CB-CG1 4.19Å; R62-I65 WeakPolarHBondContact O-CG1 3.28Å; R62-I65 PolarHBondContact O-N 3.04Å; I65-T100 HydrophobicContact CD1-CG2 3.97Å; I65-T100 HydrophobicContact CG1-CG2 4.12Å; I65-T100 HydrophobicContact CG2-CG2 3.73Å
66	K	95.7	Very high	96	Very high	87 Å²	87	73.8 Å²	73.8	38%	0.378	36%	0.359	S	S	.	.			trans	-62.2	153.8	177.1	-70.4	163.7	171.2	164.1	0	111.6	E74 P97 G98	K66-E74 IonicContact NZ-OE1 3.33Å; K66-E74 PolarHBondContact NZ-OE1 3Å; K66-P97 WeakPolarHBondContact CE-O 3.43Å; K66-P97 PolarHBondContact NZ-O 3.32Å; K66-G98 WeakPolarHBondContact CB-O 3.43Å; K66-G98 PolarHBondContact N-O 3.47Å
67	R	94.5	Very high	96	Very high	139 Å²	139	72.6 Å²	72.6	53%	0.525	36%	0.36	S	S	.	.			trans	-122.8	133.8	173.9	-60.6	-69.1	158.5	-119.2	7.7	109.1	N59 Y60 E103	N59-R67 PolarHBondContact O-NH2 3.44Å; Y60-R67 VanDerWaalsContact CA-NH2 3.33Å; Y60-R67 PolarHBondContact O-NH2 3.44Å; R67-E103 IonicContact NH1-OE1 2.68Å
68	G	93.6	Very high	95.9	Very high	55 Å²	55	71.7 Å²	71.7	57%	0.567	36%	0.357	S	S	*	.	S	Bend	trans	111.8	172.7	-173.7	0	0	0	0	0	113.6	R99	G68-R99 PolarHBondContact O-NH1 3.06Å
69	N	94.8	Very high	95.9	Very high	153 Å²	153	69.7 Å²	69.7	82%	0.818	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-58.4	158.1	-174.2	-56.6	24.3	0	0	0	112.1	R99	N69-R99 PolarHBondContact O-NH2 2.77Å
70	F	96	Very high	95.9	Very high	39 Å²	39	74.6 Å²	74.6	17%	0.171	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-66.1	141.1	168.4	-80.3	-108.9	0	0	0	110	E74 E75 V78 R99 E103 I104 V107	F70-E74 HydrophobicContact CD1-CB 3.82Å; F70-E75 HydrophobicContact CB-CG 3.97Å; F70-V78 HydrophobicContact CE1-CG2 4.29Å; F70-R99 HydrophobicContact CE1-CB 4.44Å; F70-R99 HydrophobicContact CE1-CG 3.98Å; F70-R99 HydrophobicContact CZ-CB 4.44Å; F70-R99 HydrophobicContact CZ-CG 4.22Å; F70-E103 HydrophobicContact CE2-CB 4.08Å; F70-E103 HydrophobicContact CZ-CB 3.98Å; F70-I104 HydrophobicContact CE1-CG1 4.19Å; F70-I104 HydrophobicContact CZ-CG1 4.15Å; F70-V107 HydrophobicContact CD1-CG1 4.19Å; F70-V107 HydrophobicContact CD2-CB 4.07Å; F70-V107 HydrophobicContact CD2-CG1 4.25Å; F70-V107 HydrophobicContact CD2-CG2 4.06Å; F70-V107 HydrophobicContact CE1-CG1 3.86Å; F70-V107 HydrophobicContact CE2-CB 3.96Å; F70-V107 HydrophobicContact CE2-CG1 3.91Å; F70-V107 HydrophobicContact CE2-CG2 4.46Å; F70-V107 HydrophobicContact CG-CB 4.49Å; F70-V107 HydrophobicContact CG-CG1 4.39Å; F70-V107 HydrophobicContact CG-CG2 4.17Å; F70-V107 HydrophobicContact CZ-CB 4.29Å; F70-V107 HydrophobicContact CZ-CG1 3.71Å
71	T	96.1	Very high	95.9	Very high	64 Å²	64	69.9 Å²	69.9	39%	0.393	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-78.1	161.4	166.5	85.5	0	0	0	0	109.8	E73 E74 E75	T71-E73 WeakPolarHBondContact CB-OE2 3.41Å; T71-E73 PolarHBondContact O-N 3.44Å; T71-E73 PolarHBondContact OG1-N 3.44Å; T71-E73 PolarHBondContact OG1-OE2 3.18Å; T71-E74 PolarHBondContact N-OE2 3.01Å; T71-E74 PolarHBondContact O-N 2.95Å; T71-E74 VanDerWaalsContact O-N 3.13Å; T71-E74 PolarHBondContact OG1-N 2.82Å; T71-E75 PolarHBondContact O-N 2.92Å
72	R	94.6	Very high	95.9	Very high	165 Å²	165	69.6 Å²	69.6	62%	0.623	35%	0.349	S	S	*	.	H	α-helix	trans	-59.6	-36.3	178	177.2	178.9	171.3	176.5	-0.6	111.6	E74 E75 D76	R72-E74 VanDerWaalsContact C-N 3.35Å; R72-E75 PolarHBondContact O-N 3.49Å; R72-D76 WeakPolarHBondContact CG-OD2 3.16Å; R72-D76 IonicContact CZ-OD2 3.9Å; R72-D76 IonicContact NE-OD2 3.06Å; R72-D76 PolarHBondContact NE-OD2 3.09Å; R72-D76 IonicContact NH2-OD2 3.83Å; R72-D76 WeakPolarHBondContact O-CB 3.48Å; R72-D76 PolarHBondContact O-N 3.05Å
73	E	96.5	Very high	95.9	Very high	133 Å²	133	71 Å²	71	62%	0.621	36%	0.361	S	S	*	.	H	α-helix	trans	-68.1	-37.2	179.3	-53.1	68.2	-144.7	0	0	110.7	T71 A77	T71-E73 WeakPolarHBondContact CB-OE2 3.41Å; T71-E73 PolarHBondContact O-N 3.44Å; T71-E73 PolarHBondContact OG1-N 3.44Å; T71-E73 PolarHBondContact OG1-OE2 3.18Å; E73-A77 WeakPolarHBondContact O-CB 3.4Å; E73-A77 PolarHBondContact O-N 3.15Å
74	E	97	Very high	95.9	Very high	18 Å²	18	71.5 Å²	71.5	8%	0.084	35%	0.354	C	S	.	.	H	α-helix	trans	-67.9	-40.7	171.1	-65.5	178.1	135.2	0	0	111.6	K66 F70 T71 R72 A77 V78 R99	K66-E74 IonicContact NZ-OE1 3.33Å; K66-E74 PolarHBondContact NZ-OE1 3Å; F70-E74 HydrophobicContact CD1-CB 3.82Å; T71-E74 PolarHBondContact N-OE2 3.01Å; T71-E74 PolarHBondContact O-N 2.95Å; T71-E74 VanDerWaalsContact O-N 3.13Å; T71-E74 PolarHBondContact OG1-N 2.82Å; R72-E74 VanDerWaalsContact C-N 3.35Å; E74-A77 PolarHBondContact O-N 3.08Å; E74-V78 WeakPolarHBondContact O-CG2 3.38Å; E74-V78 PolarHBondContact O-N 3.32Å; E74-R99 IonicContact OE1-CZ 3.29Å; E74-R99 IonicContact OE1-NE 3.11Å; E74-R99 PolarHBondContact OE1-NE 2.99Å; E74-R99 IonicContact OE1-NH2 2.69Å; E74-R99 IonicContact OE2-CZ 3.36Å; E74-R99 VanDerWaalsContact OE2-CZ 3.29Å; E74-R99 IonicContact OE2-NE 2.74Å; E74-R99 PolarHBondContact OE2-NE 2.93Å; E74-R99 VanDerWaalsContact OE2-NE 3.11Å; E74-R99 IonicContact OE2-NH2 3.65Å; E74-R99 PolarHBondContact OE2-NH2 3.27Å
75	E	96.1	Very high	96	Very high	30 Å²	30	69.4 Å²	69.4	14%	0.14	34%	0.343	C	S	.	.	H	α-helix	trans	-63	-51.8	175.1	-70.4	-173.3	123.3	0	0	112.7	F70 T71 R72 A77 V78 I79 L112 R115	F70-E75 HydrophobicContact CB-CG 3.97Å; T71-E75 PolarHBondContact O-N 2.92Å; R72-E75 PolarHBondContact O-N 3.49Å; E75-A77 PolarHBondContact O-N 2.87Å; E75-V78 PolarHBondContact O-N 3.19Å; E75-V78 VanDerWaalsContact O-N 3.08Å; E75-I79 WeakPolarHBondContact O-CG1 3.23Å; E75-I79 PolarHBondContact O-N 3.4Å; E75-L112 HydrophobicContact CB-CD2 3.83Å; E75-L112 HydrophobicContact CG-CD2 3.93Å; E75-R115 IonicContact OE1-NH1 3.04Å; E75-R115 PolarHBondContact OE1-NH1 3.45Å; E75-R115 IonicContact OE2-CZ 3.69Å; E75-R115 IonicContact OE2-NH1 2.67Å; E75-R115 PolarHBondContact OE2-NH1 3.08Å; E75-R115 IonicContact OE2-NH2 3.86Å
76	D	95.9	Very high	96	Very high	48 Å²	48	70 Å²	70	26%	0.257	35%	0.353	S	S	.	.	H	α-helix	trans	-64.5	-29.5	-178.9	-70.9	-19.6	0	0	0	110.1	R72 Q80 R115	R72-D76 WeakPolarHBondContact CG-OD2 3.16Å; R72-D76 IonicContact CZ-OD2 3.9Å; R72-D76 IonicContact NE-OD2 3.06Å; R72-D76 PolarHBondContact NE-OD2 3.09Å; R72-D76 IonicContact NH2-OD2 3.83Å; R72-D76 WeakPolarHBondContact O-CB 3.48Å; R72-D76 PolarHBondContact O-N 3.05Å; D76-Q80 WeakPolarHBondContact O-CG 3.2Å; D76-Q80 PolarHBondContact O-N 2.95Å; D76-Q80 PolarHBondContact O-NE2 2.88Å; D76-R115 IonicContact OD1-NH2 3.82Å
77	A	97.2	Very high	96.1	Very high	25 Å²	25	70.9 Å²	70.9	21%	0.207	36%	0.362	C	S	.	.	H	α-helix	trans	-73.2	-38.7	169.8	0	0	0	0	0	113.6	E73 E74 E75 I79 Q80 L81 L96	E73-A77 WeakPolarHBondContact O-CB 3.4Å; E73-A77 PolarHBondContact O-N 3.15Å; E74-A77 PolarHBondContact O-N 3.08Å; E75-A77 PolarHBondContact O-N 2.87Å; A77-I79 VanDerWaalsContact C-N 3.3Å; A77-I79 PolarHBondContact O-N 2.91Å; A77-Q80 PolarHBondContact O-N 3.44Å; A77-L81 WeakPolarHBondContact O-CB 3.41Å; A77-L81 VanDerWaalsContact O-CG 3.28Å; A77-L81 WeakPolarHBondContact O-CG 3.33Å; A77-L81 PolarHBondContact O-N 3.1Å; A77-L96 HydrophobicContact CB-CD2 3.99Å
78	V	97.1	Very high	96.2	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-60	-41.4	172.3	169.9	0	0	0	0	110.6	F70 E74 E75 L81 H82 L96 I104 W108 L112	F70-V78 HydrophobicContact CE1-CG2 4.29Å; E74-V78 WeakPolarHBondContact O-CG2 3.38Å; E74-V78 PolarHBondContact O-N 3.32Å; E75-V78 PolarHBondContact O-N 3.19Å; E75-V78 VanDerWaalsContact O-N 3.08Å; V78-L81 PolarHBondContact O-N 3.14Å; V78-H82 VanDerWaalsContact O-CB 3.24Å; V78-H82 WeakPolarHBondContact O-CB 3.46Å; V78-H82 PolarHBondContact O-N 3.26Å; V78-L96 HydrophobicContact CG2-CD1 3.39Å; V78-I104 HydrophobicContact CG1-CG2 3.9Å; V78-I104 HydrophobicContact CG2-CG1 4.34Å; V78-I104 HydrophobicContact CG2-CG2 3.91Å; V78-W108 HydrophobicContact CG1-CE3 4.49Å; V78-L112 HydrophobicContact CB-CD1 3.81Å; V78-L112 HydrophobicContact CG1-CD1 3.44Å; V78-L112 VanDerWaalsContact CG1-CD1 3.44Å
79	I	96	Very high	96.4	Very high	19 Å²	19	69.5 Å²	69.5	10%	0.097	34%	0.339	C	S	.	.	H	α-helix	trans	-60.5	-51.4	177.2	-66.5	168	0	0	0	110.9	E75 A77 L81 H82 Q83 L112 L116	E75-I79 WeakPolarHBondContact O-CG1 3.23Å; E75-I79 PolarHBondContact O-N 3.4Å; A77-I79 VanDerWaalsContact C-N 3.3Å; A77-I79 PolarHBondContact O-N 2.91Å; I79-L81 PolarHBondContact O-N 3.44Å; I79-H82 PolarHBondContact O-N 2.95Å; I79-Q83 WeakPolarHBondContact O-CG 3.21Å; I79-Q83 PolarHBondContact O-N 3.5Å; I79-L112 HydrophobicContact CD1-CD2 4.28Å; I79-L112 HydrophobicContact CG1-CB 4.41Å; I79-L112 HydrophobicContact CG1-CD1 4.23Å; I79-L112 HydrophobicContact CG1-CD2 4.44Å; I79-L116 HydrophobicContact CD1-CD2 4.41Å; I79-L116 HydrophobicContact CG2-CD1 4.23Å; I79-L116 HydrophobicContact CG2-CD2 4.36Å
80	Q	96.5	Very high	96.5	Very high	115 Å²	115	65.9 Å²	65.9	54%	0.537	33%	0.326	S	S	.	.	H	α-helix	trans	-60.7	-45.6	179.1	-72.5	166.8	74.9	0	0	112.1	D76 A77 H82 Q83 M84	D76-Q80 WeakPolarHBondContact O-CG 3.2Å; D76-Q80 PolarHBondContact O-N 2.95Å; D76-Q80 PolarHBondContact O-NE2 2.88Å; A77-Q80 PolarHBondContact O-N 3.44Å; Q80-H82 VanDerWaalsContact C-N 3.35Å; Q80-H82 PolarHBondContact O-N 3.43Å; Q80-Q83 PolarHBondContact O-N 2.92Å; Q80-M84 WeakPolarHBondContact O-CG 3.44Å; Q80-M84 PolarHBondContact O-N 3.39Å; Q80-M84 VanDerWaalsContact O-N 3.15Å
81	L	97.4	Very high	96.6	Very high	19 Å²	19	66 Å²	66	10%	0.099	33%	0.334	C	S	.	.	H	α-helix	trans	-69.9	-31.1	-180	-67.6	176.8	0	0	0	112.6	A77 V78 I79 M84 L85 I92 R95 L96	A77-L81 WeakPolarHBondContact O-CB 3.41Å; A77-L81 VanDerWaalsContact O-CG 3.28Å; A77-L81 WeakPolarHBondContact O-CG 3.33Å; A77-L81 PolarHBondContact O-N 3.1Å; V78-L81 PolarHBondContact O-N 3.14Å; I79-L81 PolarHBondContact O-N 3.44Å; L81-M84 PolarHBondContact O-N 3.08Å; L81-L85 VanDerWaalsContact O-CB 3.24Å; L81-L85 WeakPolarHBondContact O-CB 3.11Å; L81-L85 WeakPolarHBondContact O-CG 3.43Å; L81-L85 PolarHBondContact O-N 3.48Å; L81-I92 HydrophobicContact CB-CG1 4.16Å; L81-I92 HydrophobicContact CB-CG2 3.85Å; L81-I92 HydrophobicContact CD1-CG2 3.93Å; L81-R95 HydrophobicContact CD1-CB 3.74Å; L81-R95 HydrophobicContact CD1-CG 4.49Å; L81-R95 VanDerWaalsContact CD2-CD 3.5Å; L81-L96 HydrophobicContact CD1-CG 4.36Å
82	H	96.8	Very high	96.7	Very high	30 Å²	30	63 Å²	63	14%	0.139	32%	0.316	C	S	.	.	H	α-helix	trans	-68.1	-41.5	172	-173.8	-86.8	0	0	0	111.8	V78 I79 Q80 M84 L85 G86 N87 W89 I92 W108	V78-H82 VanDerWaalsContact O-CB 3.24Å; V78-H82 WeakPolarHBondContact O-CB 3.46Å; V78-H82 PolarHBondContact O-N 3.26Å; I79-H82 PolarHBondContact O-N 2.95Å; Q80-H82 VanDerWaalsContact C-N 3.35Å; Q80-H82 PolarHBondContact O-N 3.43Å; H82-M84 VanDerWaalsContact C-N 3.25Å; H82-M84 PolarHBondContact O-N 3.26Å; H82-L85 PolarHBondContact O-N 2.91Å; H82-G86 PolarHBondContact CD2-O 3.23Å; H82-G86 VanDerWaalsContact O-CA 3.25Å; H82-G86 WeakPolarHBondContact O-CA 3.26Å; H82-G86 PolarHBondContact O-N 3Å; H82-N87 PolarHBondContact NE2-OD1 3.33Å; H82-W89 AromaticContact CD2-CH2 3.49Å; H82-W89 VanDerWaalsContact CD2-CH2 3.49Å; H82-W89 WeakPolarHBondContact CD2-CH2 3.34Å; H82-W89 AromaticContact CD2-CZ3 3.73Å; H82-W89 AromaticContact NE2-CH2 3.81Å; H82-I92 HydrophobicContact CB-CD1 4.37Å; H82-W108 HydrophobicContact CB-CE3 4.25Å; H82-W108 HydrophobicContact CB-CH2 4.32Å; H82-W108 HydrophobicContact CB-CZ3 3.96Å; H82-W108 AromaticContact CE1-CE2 3.79Å; H82-W108 AromaticContact CE1-CH2 3.76Å; H82-W108 AromaticContact CE1-CZ2 3.36Å; H82-W108 WeakPolarHBondContact CE1-CZ2 3.24Å; H82-W108 AromaticContact CG-CH2 3.77Å; H82-W108 AromaticContact CG-CZ2 3.98Å; H82-W108 AromaticContact CG-CZ3 3.81Å; H82-W108 AromaticContact ND1-CH2 3.31Å; H82-W108 VanDerWaalsContact ND1-CH2 3.31Å; H82-W108 WeakPolarHBondContact ND1-CH2 3.37Å; H82-W108 AromaticContact ND1-CZ2 3.44Å; H82-W108 WeakPolarHBondContact ND1-CZ2 3.48Å; H82-W108 AromaticContact ND1-CZ3 3.85Å; H82-W108 AromaticContact NE2-CE2 3.8Å; H82-W108 AromaticContact NE2-CZ2 3.86Å; H82-W108 AromaticContact NE2-NE1 4Å
83	Q	95.3	Very high	96.9	Very high	143 Å²	143	56 Å²	56	67%	0.668	29%	0.294	S	S	*	.	H	α-helix	trans	-59	-36.2	173.4	-70.6	170	-2.7	0	0	112.4	I79 Q80	I79-Q83 WeakPolarHBondContact O-CG 3.21Å; I79-Q83 PolarHBondContact O-N 3.5Å; Q80-Q83 PolarHBondContact O-N 2.92Å
84	M	96.6	Very high	96.8	Very high	130 Å²	130	53.8 Å²	53.8	64%	0.64	30%	0.298	S	S	*	.	H	α-helix	trans	-82.1	-32.1	178.1	-64.1	-179.9	82	0	0	114.6	Q80 L81 H82	Q80-M84 WeakPolarHBondContact O-CG 3.44Å; Q80-M84 PolarHBondContact O-N 3.39Å; Q80-M84 VanDerWaalsContact O-N 3.15Å; L81-M84 PolarHBondContact O-N 3.08Å; H82-M84 VanDerWaalsContact C-N 3.25Å; H82-M84 PolarHBondContact O-N 3.26Å
85	L	96.9	Very high	96.8	Very high	30 Å²	30	59.7 Å²	59.7	16%	0.157	32%	0.319	C	S	.	.	H	α-helix	trans	-120.8	-8	-167.1	-58.2	177.2	0	0	0	114.8	L81 H82 R88 A91 I92	L81-L85 VanDerWaalsContact O-CB 3.24Å; L81-L85 WeakPolarHBondContact O-CB 3.11Å; L81-L85 WeakPolarHBondContact O-CG 3.43Å; L81-L85 PolarHBondContact O-N 3.48Å; H82-L85 PolarHBondContact O-N 2.91Å; L85-R88 HydrophobicContact CB-CB 4.41Å; L85-R88 WeakPolarHBondContact O-CB 3.32Å; L85-R88 WeakPolarHBondContact O-CG 3.49Å; L85-R88 VanDerWaalsContact O-CZ 3.22Å; L85-R88 PolarHBondContact O-NE 3.23Å; L85-R88 PolarHBondContact O-NH2 3.31Å; L85-A91 HydrophobicContact CD1-CB 4.32Å; L85-I92 HydrophobicContact CB-CG1 4.35Å; L85-I92 HydrophobicContact CD1-CG1 4.09Å
86	G	96	Very high	96.8	Very high	28 Å²	28	58.9 Å²	58.9	29%	0.289	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	-148	-170.8	0	0	0	0	0	112.4	H82 R88	H82-G86 PolarHBondContact CD2-O 3.23Å; H82-G86 VanDerWaalsContact O-CA 3.25Å; H82-G86 WeakPolarHBondContact O-CA 3.26Å; H82-G86 PolarHBondContact O-N 3Å; G86-R88 PolarHBondContact O-N 3.3Å
87	N	96.9	Very high	96.8	Very high	105 Å²	105	61.7 Å²	61.7	56%	0.561	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	23.7	-177.4	-60.4	-20.2	0	0	0	114.4	H82 W89	H82-N87 PolarHBondContact NE2-OD1 3.33Å; N87-W89 HydrophobicContact CB-CZ2 3.96Å; N87-W89 VanDerWaalsContact O-CD1 3.24Å; N87-W89 PolarHBondContact O-N 3.04Å; N87-W89 PolarHBondContact O-NE1 2.64Å
88	R	97.5	Very high	96.7	Very high	130 Å²	130	61.3 Å²	61.3	49%	0.491	34%	0.336	S	S	.	.			trans	-79.4	61	178.1	-69.1	-169.8	-73.9	-107.2	4.3	111.4	L85 G86 S90 A91 I92	L85-R88 HydrophobicContact CB-CB 4.41Å; L85-R88 WeakPolarHBondContact O-CB 3.32Å; L85-R88 WeakPolarHBondContact O-CG 3.49Å; L85-R88 VanDerWaalsContact O-CZ 3.22Å; L85-R88 PolarHBondContact O-NE 3.23Å; L85-R88 PolarHBondContact O-NH2 3.31Å; G86-R88 PolarHBondContact O-N 3.3Å; R88-S90 VanDerWaalsContact C-N 3.32Å; R88-S90 PolarHBondContact O-N 2.69Å; R88-S90 VanDerWaalsContact O-N 3.15Å; R88-A91 HydrophobicContact CB-CB 4.17Å; R88-A91 WeakPolarHBondContact O-CA 3.47Å; R88-A91 WeakPolarHBondContact O-CB 3.38Å; R88-A91 PolarHBondContact O-N 3.11Å; R88-I92 PolarHBondContact O-N 3.13Å; R88-I92 VanDerWaalsContact O-N 3.14Å
89	W	98.1	Very high	96.7	Very high	35 Å²	35	62.2 Å²	62.2	13%	0.133	34%	0.339	C	S	.	.	H	α-helix	trans	-50.4	-43.2	-169.2	-54.7	120.3	0	0	0	114.6	H82 N87 A91 I92 A93 D101 I104 K105 W108	H82-W89 AromaticContact CD2-CH2 3.49Å; H82-W89 VanDerWaalsContact CD2-CH2 3.49Å; H82-W89 WeakPolarHBondContact CD2-CH2 3.34Å; H82-W89 AromaticContact CD2-CZ3 3.73Å; H82-W89 AromaticContact NE2-CH2 3.81Å; N87-W89 HydrophobicContact CB-CZ2 3.96Å; N87-W89 VanDerWaalsContact O-CD1 3.24Å; N87-W89 PolarHBondContact O-N 3.04Å; N87-W89 PolarHBondContact O-NE1 2.64Å; W89-A91 VanDerWaalsContact C-N 3.31Å; W89-A91 PolarHBondContact O-N 2.97Å; W89-I92 HydrophobicContact CE3-CD1 4.02Å; W89-I92 HydrophobicContact CZ3-CD1 4.16Å; W89-I92 PolarHBondContact O-N 3.2Å; W89-A93 WeakPolarHBondContact O-CB 3.46Å; W89-A93 PolarHBondContact O-N 3.14Å; W89-D101 HydrophobicContact CB-CB 3.83Å; W89-I104 HydrophobicContact CE3-CG2 3.87Å; W89-I104 HydrophobicContact CZ3-CG2 4.22Å; W89-K105 HydrophobicContact CD2-CB 3.76Å; W89-K105 HydrophobicContact CD2-CG 4.33Å; W89-K105 HydrophobicContact CE3-CB 4.28Å; W89-K105 HydrophobicContact CG-CB 3.88Å; W89-K105 HydrophobicContact CG-CG 4.45Å; W89-K105 HydrophobicContact CZ2-CG 4.41Å; W89-W108 HydrophobicContact CH2-CB 3.74Å; W89-W108 AromaticContact CH2-CD1 3.49Å; W89-W108 VanDerWaalsContact CH2-CD1 3.49Å; W89-W108 HydrophobicContact CH2-CD2 4.16Å; W89-W108 AromaticContact CH2-CG 3.5Å; W89-W108 HydrophobicContact CH2-CG 3.5Å; W89-W108 VanDerWaalsContact CH2-CG 3.5Å; W89-W108 HydrophobicContact CZ2-CG 4.43Å; W89-W108 HydrophobicContact CZ3-CB 3.99Å; W89-W108 HydrophobicContact CZ3-CG 4.12Å
90	S	97.2	Very high	96.8	Very high	77 Å²	77	62 Å²	62	54%	0.538	34%	0.339	S	S	.	.	H	α-helix	trans	-69.3	-26.1	179.8	-36	0	0	0	0	113.3	R88 A94 D101	R88-S90 VanDerWaalsContact C-N 3.32Å; R88-S90 PolarHBondContact O-N 2.69Å; R88-S90 VanDerWaalsContact O-N 3.15Å; S90-A94 PolarHBondContact O-N 3.29Å; S90-D101 PolarHBondContact OG-OD2 3.3Å
91	A	97.7	Very high	96.9	Very high	42 Å²	42	59 Å²	59	35%	0.347	33%	0.326	S	S	.	.	H	α-helix	trans	-79.7	-27.7	172.3	0	0	0	0	0	112.6	L85 R88 W89	L85-A91 HydrophobicContact CD1-CB 4.32Å; R88-A91 HydrophobicContact CB-CB 4.17Å; R88-A91 WeakPolarHBondContact O-CA 3.47Å; R88-A91 WeakPolarHBondContact O-CB 3.38Å; R88-A91 PolarHBondContact O-N 3.11Å; W89-A91 VanDerWaalsContact C-N 3.31Å; W89-A91 PolarHBondContact O-N 2.97Å
92	I	98.1	Very high	96.8	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-71.8	-43.8	170.2	-58.8	175	0	0	0	109.8	L81 H82 L85 R88 W89 A94 R95 L96 I104	L81-I92 HydrophobicContact CB-CG1 4.16Å; L81-I92 HydrophobicContact CB-CG2 3.85Å; L81-I92 HydrophobicContact CD1-CG2 3.93Å; H82-I92 HydrophobicContact CB-CD1 4.37Å; L85-I92 HydrophobicContact CB-CG1 4.35Å; L85-I92 HydrophobicContact CD1-CG1 4.09Å; R88-I92 PolarHBondContact O-N 3.13Å; R88-I92 VanDerWaalsContact O-N 3.14Å; W89-I92 HydrophobicContact CE3-CD1 4.02Å; W89-I92 HydrophobicContact CZ3-CD1 4.16Å; W89-I92 PolarHBondContact O-N 3.2Å; I92-A94 VanDerWaalsContact C-N 3.29Å; I92-A94 PolarHBondContact O-N 3.28Å; I92-R95 PolarHBondContact O-N 2.61Å; I92-L96 HydrophobicContact CG2-CD1 4.03Å; I92-L96 PolarHBondContact O-N 2.68Å; I92-I104 HydrophobicContact CB-CG2 4.36Å; I92-I104 HydrophobicContact CG2-CD1 4.34Å; I92-I104 HydrophobicContact CG2-CG2 3.82Å
93	A	97.4	Very high	96.9	Very high	19 Å²	19	60.2 Å²	60.2	16%	0.157	33%	0.333	C	S	.	.	H	α-helix	trans	-57.9	-38	176.7	0	0	0	0	0	113.1	W89 R95 L96 D101 I104	W89-A93 WeakPolarHBondContact O-CB 3.46Å; W89-A93 PolarHBondContact O-N 3.14Å; A93-R95 PolarHBondContact O-N 3.4Å; A93-L96 PolarHBondContact O-N 3.25Å; A93-D101 HydrophobicContact CB-CB 4.02Å; A93-I104 VanDerWaalsContact CA-CD1 3.44Å; A93-I104 HydrophobicContact CB-CD1 3.74Å
94	A	96.5	Very high	97	Very high	87 Å²	87	53.4 Å²	53.4	72%	0.719	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-15.9	174.9	0	0	0	0	0	114.3	S90 I92	S90-A94 PolarHBondContact O-N 3.29Å; I92-A94 VanDerWaalsContact C-N 3.29Å; I92-A94 PolarHBondContact O-N 3.28Å
95	R	96.5	Very high	97	Very high	141 Å²	141	50.4 Å²	50.4	53%	0.532	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-4.9	177.8	-62	179.7	176.3	-155.8	-3.5	113.8	L81 I92 A93 P97	L81-R95 HydrophobicContact CD1-CB 3.74Å; L81-R95 HydrophobicContact CD1-CG 4.49Å; L81-R95 VanDerWaalsContact CD2-CD 3.5Å; I92-R95 PolarHBondContact O-N 2.61Å; A93-R95 PolarHBondContact O-N 3.4Å; R95-P97 WeakPolarHBondContact O-CD 3.33Å
96	L	96.2	Very high	97	Very high	14 Å²	14	52.6 Å²	52.6	7%	0.073	30%	0.296	C	S	.	.	S	Bend	trans	-119.9	86.3	-177	-69.9	175.5	0	0	0	110.2	A77 V78 L81 I92 A93 G98 R99 I104	A77-L96 HydrophobicContact CB-CD2 3.99Å; V78-L96 HydrophobicContact CG2-CD1 3.39Å; L81-L96 HydrophobicContact CD1-CG 4.36Å; I92-L96 HydrophobicContact CG2-CD1 4.03Å; I92-L96 PolarHBondContact O-N 2.68Å; A93-L96 PolarHBondContact O-N 3.25Å; L96-G98 PolarHBondContact O-N 3.05Å; L96-R99 HydrophobicContact CB-CB 4.15Å; L96-R99 HydrophobicContact CB-CG 4.48Å; L96-R99 PolarHBondContact O-N 3.03Å; L96-I104 HydrophobicContact CB-CD1 4.3Å; L96-I104 HydrophobicContact CD1-CD1 3.85Å; L96-I104 HydrophobicContact CD1-CG1 4.16Å
97	P	95	Very high	97	Very high	106 Å²	106	51.7 Å²	51.7	69%	0.688	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	123	-170.7	22.4	-33	0	0	0	111.7	K66 R95	K66-P97 WeakPolarHBondContact CE-O 3.43Å; K66-P97 PolarHBondContact NZ-O 3.32Å; R95-P97 WeakPolarHBondContact O-CD 3.33Å
98	G	95.6	Very high	97	Very high	18 Å²	18	48 Å²	48	19%	0.186	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	12.2	-178.7	0	0	0	0	0	116	D64 K66 L96	D64-G98 WeakPolarHBondContact O-CA 3.43Å; K66-G98 WeakPolarHBondContact CB-O 3.43Å; K66-G98 PolarHBondContact N-O 3.47Å; L96-G98 PolarHBondContact O-N 3.05Å
99	R	97.5	Very high	96.8	Very high	19 Å²	19	47 Å²	47	7%	0.072	26%	0.264	C	S	.	.			trans	-112.4	135.5	168.3	-61.9	-60.9	-177.7	175.8	1.3	110.8	G68 N69 F70 E74 L96 I104	G68-R99 PolarHBondContact O-NH1 3.06Å; N69-R99 PolarHBondContact O-NH2 2.77Å; F70-R99 HydrophobicContact CE1-CB 4.44Å; F70-R99 HydrophobicContact CE1-CG 3.98Å; F70-R99 HydrophobicContact CZ-CB 4.44Å; F70-R99 HydrophobicContact CZ-CG 4.22Å; E74-R99 IonicContact OE1-CZ 3.29Å; E74-R99 IonicContact OE1-NE 3.11Å; E74-R99 PolarHBondContact OE1-NE 2.99Å; E74-R99 IonicContact OE1-NH2 2.69Å; E74-R99 IonicContact OE2-CZ 3.36Å; E74-R99 VanDerWaalsContact OE2-CZ 3.29Å; E74-R99 IonicContact OE2-NE 2.74Å; E74-R99 PolarHBondContact OE2-NE 2.93Å; E74-R99 VanDerWaalsContact OE2-NE 3.11Å; E74-R99 IonicContact OE2-NH2 3.65Å; E74-R99 PolarHBondContact OE2-NH2 3.27Å; L96-R99 HydrophobicContact CB-CB 4.15Å; L96-R99 HydrophobicContact CB-CG 4.48Å; L96-R99 PolarHBondContact O-N 3.03Å; R99-I104 HydrophobicContact CB-CD1 4.02Å; R99-I104 HydrophobicContact CB-CG1 4.13Å
100	T	97.7	Very high	96.6	Very high	14 Å²	14	48.8 Å²	48.8	9%	0.086	28%	0.279	C	S	.	.			trans	-87.7	156.9	179.5	62.5	0	0	0	0	111.8	I58 I65 N102 E103 I104	I58-T100 WeakPolarHBondContact O-CG2 3.4Å; I65-T100 HydrophobicContact CD1-CG2 3.97Å; I65-T100 HydrophobicContact CG1-CG2 4.12Å; I65-T100 HydrophobicContact CG2-CG2 3.73Å; T100-N102 PolarHBondContact O-N 3.24Å; T100-E103 WeakPolarHBondContact CB-OE2 3.33Å; T100-E103 WeakPolarHBondContact CG2-OE2 3.45Å; T100-E103 PolarHBondContact N-OE2 3.27Å; T100-E103 PolarHBondContact O-N 2.74Å; T100-E103 VanDerWaalsContact O-N 3.14Å; T100-E103 WeakPolarHBondContact OG1-CB 3.34Å; T100-E103 VanDerWaalsContact OG1-CD 3.26Å; T100-E103 WeakPolarHBondContact OG1-CG 3.4Å; T100-E103 PolarHBondContact OG1-N 3.1Å; T100-E103 PolarHBondContact OG1-OE2 3.25Å; T100-I104 WeakPolarHBondContact O-CD1 3.47Å; T100-I104 WeakPolarHBondContact O-CG1 3.35Å; T100-I104 PolarHBondContact O-N 3.39Å
101	D	97.4	Very high	96.2	Very high	52 Å²	52	50.2 Å²	50.2	28%	0.278	28%	0.277	S	S	.	.	H	α-helix	trans	-61.4	-34.1	176.4	63.2	-6.7	0	0	0	112.5	W89 S90 A93 K105	W89-D101 HydrophobicContact CB-CB 3.83Å; S90-D101 PolarHBondContact OG-OD2 3.3Å; A93-D101 HydrophobicContact CB-CB 4.02Å; D101-K105 WeakPolarHBondContact O-CB 3.12Å; D101-K105 PolarHBondContact O-N 3.32Å
102	N	97.3	Very high	95.9	Very high	36 Å²	36	48.2 Å²	48.2	19%	0.193	26%	0.26	C	S	.	.	H	α-helix	trans	-66.8	-41.3	172.8	-173.4	79.6	0	0	0	112.9	T100 K105 N106	T100-N102 PolarHBondContact O-N 3.24Å; N102-K105 PolarHBondContact OD1-NZ 2.93Å; N102-N106 VanDerWaalsContact O-CB 3.32Å; N102-N106 WeakPolarHBondContact O-CB 3.2Å; N102-N106 PolarHBondContact O-N 3.32Å; N102-N106 PolarHBondContact O-OD1 3.2Å; N102-N106 VanDerWaalsContact O-OD1 3.11Å
103	E	97.3	Very high	95.3	Very high	39 Å²	39	53.4 Å²	53.4	18%	0.182	28%	0.283	C	S	.	.	H	α-helix	trans	-65.4	-43	174.4	-74.9	163.3	130.1	0	0	111.8	R67 F70 T100 N106 V107	R67-E103 IonicContact NH1-OE1 2.68Å; F70-E103 HydrophobicContact CE2-CB 4.08Å; F70-E103 HydrophobicContact CZ-CB 3.98Å; T100-E103 WeakPolarHBondContact CB-OE2 3.33Å; T100-E103 WeakPolarHBondContact CG2-OE2 3.45Å; T100-E103 PolarHBondContact N-OE2 3.27Å; T100-E103 PolarHBondContact O-N 2.74Å; T100-E103 VanDerWaalsContact O-N 3.14Å; T100-E103 WeakPolarHBondContact OG1-CB 3.34Å; T100-E103 VanDerWaalsContact OG1-CD 3.26Å; T100-E103 WeakPolarHBondContact OG1-CG 3.4Å; T100-E103 PolarHBondContact OG1-N 3.1Å; T100-E103 PolarHBondContact OG1-OE2 3.25Å; E103-N106 PolarHBondContact O-N 2.86Å; E103-V107 PolarHBondContact O-N 3.09Å
104	I	97.8	Very high	94.6	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.6	-45.4	-179.5	-68.3	159.9	0	0	0	111.3	F70 V78 W89 I92 A93 L96 R99 T100 N106 V107 W108	F70-I104 HydrophobicContact CE1-CG1 4.19Å; F70-I104 HydrophobicContact CZ-CG1 4.15Å; V78-I104 HydrophobicContact CG1-CG2 3.9Å; V78-I104 HydrophobicContact CG2-CG1 4.34Å; V78-I104 HydrophobicContact CG2-CG2 3.91Å; W89-I104 HydrophobicContact CE3-CG2 3.87Å; W89-I104 HydrophobicContact CZ3-CG2 4.22Å; I92-I104 HydrophobicContact CB-CG2 4.36Å; I92-I104 HydrophobicContact CG2-CD1 4.34Å; I92-I104 HydrophobicContact CG2-CG2 3.82Å; A93-I104 VanDerWaalsContact CA-CD1 3.44Å; A93-I104 HydrophobicContact CB-CD1 3.74Å; L96-I104 HydrophobicContact CB-CD1 4.3Å; L96-I104 HydrophobicContact CD1-CD1 3.85Å; L96-I104 HydrophobicContact CD1-CG1 4.16Å; R99-I104 HydrophobicContact CB-CD1 4.02Å; R99-I104 HydrophobicContact CB-CG1 4.13Å; T100-I104 WeakPolarHBondContact O-CD1 3.47Å; T100-I104 WeakPolarHBondContact O-CG1 3.35Å; T100-I104 PolarHBondContact O-N 3.39Å; I104-N106 VanDerWaalsContact C-N 3.3Å; I104-N106 PolarHBondContact O-N 2.74Å; I104-V107 VanDerWaalsContact O-CG1 3.29Å; I104-V107 WeakPolarHBondContact O-CG1 3.49Å; I104-W108 WeakPolarHBondContact O-CB 3.46Å; I104-W108 PolarHBondContact O-N 2.88Å; I104-W108 VanDerWaalsContact O-N 3.09Å
105	K	97	Very high	93.6	Very high	66 Å²	66	61.6 Å²	61.6	29%	0.287	30%	0.295	S	S	.	.	H	α-helix	trans	-56	-45.5	169.9	174.4	-162.6	70.9	-173.4	0	111.1	W89 D101 N102 W108 H109	W89-K105 HydrophobicContact CD2-CB 3.76Å; W89-K105 HydrophobicContact CD2-CG 4.33Å; W89-K105 HydrophobicContact CE3-CB 4.28Å; W89-K105 HydrophobicContact CG-CB 3.88Å; W89-K105 HydrophobicContact CG-CG 4.45Å; W89-K105 HydrophobicContact CZ2-CG 4.41Å; D101-K105 WeakPolarHBondContact O-CB 3.12Å; D101-K105 PolarHBondContact O-N 3.32Å; N102-K105 PolarHBondContact OD1-NZ 2.93Å; K105-W108 WeakPolarHBondContact O-CB 3.04Å; K105-W108 PolarHBondContact O-N 3.45Å; K105-H109 PolarHBondContact O-CD2 3.46Å; K105-H109 PolarHBondContact O-N 3.28Å; K105-H109 VanDerWaalsContact O-N 3.15Å
106	N	96.7	Very high	92.5	Very high	77 Å²	77	59 Å²	59	41%	0.412	29%	0.291	S	S	.	.	H	α-helix	trans	-64.7	-52	-177.9	-75.4	9.5	0	0	0	111.6	N102 E103 I104 W108 H109 T110	N102-N106 VanDerWaalsContact O-CB 3.32Å; N102-N106 WeakPolarHBondContact O-CB 3.2Å; N102-N106 PolarHBondContact O-N 3.32Å; N102-N106 PolarHBondContact O-OD1 3.2Å; N102-N106 VanDerWaalsContact O-OD1 3.11Å; E103-N106 PolarHBondContact O-N 2.86Å; I104-N106 VanDerWaalsContact C-N 3.3Å; I104-N106 PolarHBondContact O-N 2.74Å; N106-W108 PolarHBondContact O-N 3.02Å; N106-H109 PolarHBondContact O-N 2.87Å; N106-H109 VanDerWaalsContact O-N 3.14Å; N106-T110 PolarHBondContact O-N 3.46Å; N106-T110 PolarHBondContact O-OG1 3.42Å
107	V	95.6	Very high	91.3	Very high	9 Å²	9	63.6 Å²	63.6	6%	0.055	31%	0.313	C	S	.	.	H	α-helix	trans	-59.9	-34	179	69.8	0	0	0	0	111.7	F70 E103 I104 H111 L112	F70-V107 HydrophobicContact CD1-CG1 4.19Å; F70-V107 HydrophobicContact CD2-CB 4.07Å; F70-V107 HydrophobicContact CD2-CG1 4.25Å; F70-V107 HydrophobicContact CD2-CG2 4.06Å; F70-V107 HydrophobicContact CE1-CG1 3.86Å; F70-V107 HydrophobicContact CE2-CB 3.96Å; F70-V107 HydrophobicContact CE2-CG1 3.91Å; F70-V107 HydrophobicContact CE2-CG2 4.46Å; F70-V107 HydrophobicContact CG-CB 4.49Å; F70-V107 HydrophobicContact CG-CG1 4.39Å; F70-V107 HydrophobicContact CG-CG2 4.17Å; F70-V107 HydrophobicContact CZ-CB 4.29Å; F70-V107 HydrophobicContact CZ-CG1 3.71Å; E103-V107 PolarHBondContact O-N 3.09Å; I104-V107 VanDerWaalsContact O-CG1 3.29Å; I104-V107 WeakPolarHBondContact O-CG1 3.49Å; V107-H111 HydrophobicContact CG2-CB 4.28Å; V107-H111 PolarHBondContact O-N 3.34Å; V107-L112 HydrophobicContact CG1-CD1 4.16Å; V107-L112 HydrophobicContact CG2-CD1 4.45Å; V107-L112 HydrophobicContact CG2-CG 4.26Å; V107-L112 PolarHBondContact O-N 3.5Å
108	W	96.8	Very high	89.7	Confident	28 Å²	28	63.6 Å²	63.6	11%	0.106	31%	0.313	C	S	.	.	I	π-helix	trans	-59.7	-52.8	173	177.6	-99	0	0	0	112.7	V78 H82 W89 I104 K105 N106 L112 K113 L116	V78-W108 HydrophobicContact CG1-CE3 4.49Å; H82-W108 HydrophobicContact CB-CE3 4.25Å; H82-W108 HydrophobicContact CB-CH2 4.32Å; H82-W108 HydrophobicContact CB-CZ3 3.96Å; H82-W108 AromaticContact CE1-CE2 3.79Å; H82-W108 AromaticContact CE1-CH2 3.76Å; H82-W108 AromaticContact CE1-CZ2 3.36Å; H82-W108 WeakPolarHBondContact CE1-CZ2 3.24Å; H82-W108 AromaticContact CG-CH2 3.77Å; H82-W108 AromaticContact CG-CZ2 3.98Å; H82-W108 AromaticContact CG-CZ3 3.81Å; H82-W108 AromaticContact ND1-CH2 3.31Å; H82-W108 VanDerWaalsContact ND1-CH2 3.31Å; H82-W108 WeakPolarHBondContact ND1-CH2 3.37Å; H82-W108 AromaticContact ND1-CZ2 3.44Å; H82-W108 WeakPolarHBondContact ND1-CZ2 3.48Å; H82-W108 AromaticContact ND1-CZ3 3.85Å; H82-W108 AromaticContact NE2-CE2 3.8Å; H82-W108 AromaticContact NE2-CZ2 3.86Å; H82-W108 AromaticContact NE2-NE1 4Å; W89-W108 HydrophobicContact CH2-CB 3.74Å; W89-W108 AromaticContact CH2-CD1 3.49Å; W89-W108 VanDerWaalsContact CH2-CD1 3.49Å; W89-W108 HydrophobicContact CH2-CD2 4.16Å; W89-W108 AromaticContact CH2-CG 3.5Å; W89-W108 HydrophobicContact CH2-CG 3.5Å; W89-W108 VanDerWaalsContact CH2-CG 3.5Å; W89-W108 HydrophobicContact CZ2-CG 4.43Å; W89-W108 HydrophobicContact CZ3-CB 3.99Å; W89-W108 HydrophobicContact CZ3-CG 4.12Å; I104-W108 WeakPolarHBondContact O-CB 3.46Å; I104-W108 PolarHBondContact O-N 2.88Å; I104-W108 VanDerWaalsContact O-N 3.09Å; K105-W108 WeakPolarHBondContact O-CB 3.04Å; K105-W108 PolarHBondContact O-N 3.45Å; N106-W108 PolarHBondContact O-N 3.02Å; W108-L112 HydrophobicContact CE3-CB 3.83Å; W108-L112 HydrophobicContact CE3-CD1 4.12Å; W108-L112 HydrophobicContact CZ3-CB 4.28Å; W108-L112 PolarHBondContact O-N 2.94Å; W108-K113 PolarHBondContact O-N 3.43Å; W108-L116 HydrophobicContact CH2-CD1 3.75Å; W108-L116 HydrophobicContact CZ3-CD1 3.99Å
109	H	94.4	Very high	87.9	Confident	108 Å²	108	72.2 Å²	72.2	50%	0.5	35%	0.345	S	S	.	.	I	π-helix	trans	-73	-32.6	-177.6	-71.7	-70.8	0	0	0	113.6	K105 N106	K105-H109 PolarHBondContact O-CD2 3.46Å; K105-H109 PolarHBondContact O-N 3.28Å; K105-H109 VanDerWaalsContact O-N 3.15Å; N106-H109 PolarHBondContact O-N 2.87Å; N106-H109 VanDerWaalsContact O-N 3.14Å
110	T	92.9	Very high	85.7	Confident	73 Å²	73	77.6 Å²	77.6	45%	0.448	38%	0.38	S	S	.	.	I	π-helix	trans	-86.7	-39.7	-178	58.5	0	0	0	0	113.7	N106	N106-T110 PolarHBondContact O-N 3.46Å; N106-T110 PolarHBondContact O-OG1 3.42Å
111	H	89.5	Confident	83.4	Confident	107 Å²	107	81.8 Å²	81.8	50%	0.495	42%	0.416	S	S	.	.	I	π-helix	trans	-118.7	-50	-170.7	-56.2	-68.1	0	0	0	113.8	V107 R115	V107-H111 HydrophobicContact CG2-CB 4.28Å; V107-H111 PolarHBondContact O-N 3.34Å; H111-R115 PolarHBondContact O-N 2.77Å
112	L	91.4	Very high	81	Confident	0 Å²	0	85.1 Å²	85.1	0%	0	44%	0.438	C	S	.	.	I	π-helix	trans	-75.5	-42.5	-165.7	-52.6	175.7	0	0	0	113	E75 V78 I79 V107 W108 K114 R115 L116	E75-L112 HydrophobicContact CB-CD2 3.83Å; E75-L112 HydrophobicContact CG-CD2 3.93Å; V78-L112 HydrophobicContact CB-CD1 3.81Å; V78-L112 HydrophobicContact CG1-CD1 3.44Å; V78-L112 VanDerWaalsContact CG1-CD1 3.44Å; I79-L112 HydrophobicContact CD1-CD2 4.28Å; I79-L112 HydrophobicContact CG1-CB 4.41Å; I79-L112 HydrophobicContact CG1-CD1 4.23Å; I79-L112 HydrophobicContact CG1-CD2 4.44Å; V107-L112 HydrophobicContact CG1-CD1 4.16Å; V107-L112 HydrophobicContact CG2-CD1 4.45Å; V107-L112 HydrophobicContact CG2-CG 4.26Å; V107-L112 PolarHBondContact O-N 3.5Å; W108-L112 HydrophobicContact CE3-CB 3.83Å; W108-L112 HydrophobicContact CE3-CD1 4.12Å; W108-L112 HydrophobicContact CZ3-CB 4.28Å; W108-L112 PolarHBondContact O-N 2.94Å; L112-K114 VanDerWaalsContact C-N 3.27Å; L112-K114 PolarHBondContact O-N 2.88Å; L112-R115 WeakPolarHBondContact O-CB 2.93Å; L112-R115 PolarHBondContact O-N 3.15Å; L112-L116 PolarHBondContact O-N 3.01Å
113	K	86.1	Confident	79	Confident	108 Å²	108	93.1 Å²	93.1	47%	0.47	48%	0.475	S	S	.	.	H	α-helix	trans	-54.7	-45.9	176.5	-169.9	-176.4	179	-172	0	111	W108 R115 L116 E117	W108-K113 PolarHBondContact O-N 3.43Å; K113-R115 PolarHBondContact O-N 3.2Å; K113-L116 PolarHBondContact O-N 2.82Å; K113-L116 VanDerWaalsContact O-N 3.13Å; K113-E117 WeakPolarHBondContact CE-OE1 3.44Å; K113-E117 PolarHBondContact O-N 3.04Å
114	K	80.8	Confident	76.8	Confident	154 Å²	154	94.9 Å²	94.9	67%	0.67	50%	0.496	S	S	*	.	H	α-helix	trans	-66.5	-12.9	178.8	-62.4	-175.4	-179.2	-178.6	0	114.7	L112	L112-K114 VanDerWaalsContact C-N 3.27Å; L112-K114 PolarHBondContact O-N 2.88Å
115	R	76.9	Confident	74.8	Confident	125 Å²	125	100.6 Å²	100.6	47%	0.472	53%	0.533	S	S	.	.	H	α-helix	trans	-93.4	-19.2	174.6	-78.2	171.6	57	176.6	-7.6	113.3	E75 D76 H111 L112 K113	E75-R115 IonicContact OE1-NH1 3.04Å; E75-R115 PolarHBondContact OE1-NH1 3.45Å; E75-R115 IonicContact OE2-CZ 3.69Å; E75-R115 IonicContact OE2-NH1 2.67Å; E75-R115 PolarHBondContact OE2-NH1 3.08Å; E75-R115 IonicContact OE2-NH2 3.86Å; D76-R115 IonicContact OD1-NH2 3.82Å; H111-R115 PolarHBondContact O-N 2.77Å; L112-R115 WeakPolarHBondContact O-CB 2.93Å; L112-R115 PolarHBondContact O-N 3.15Å; K113-R115 PolarHBondContact O-N 3.2Å
116	L	72.4	Confident	72.7	Confident	85 Å²	85	107.2 Å²	107.2	45%	0.445	56%	0.562	S	S	.	*	H	α-helix	trans	-94.9	-28.9	179.6	-62.8	176.5	0	0	0	112.4	I79 W108 L112 K113 P118	I79-L116 HydrophobicContact CD1-CD2 4.41Å; I79-L116 HydrophobicContact CG2-CD1 4.23Å; I79-L116 HydrophobicContact CG2-CD2 4.36Å; W108-L116 HydrophobicContact CH2-CD1 3.75Å; W108-L116 HydrophobicContact CZ3-CD1 3.99Å; L112-L116 PolarHBondContact O-N 3.01Å; K113-L116 PolarHBondContact O-N 2.82Å; K113-L116 VanDerWaalsContact O-N 3.13Å; L116-P118 WeakPolarHBondContact O-CD 3.47Å
117	E	70.8	Confident	70.7	Confident	112 Å²	112	114.8 Å²	114.8	52%	0.523	59%	0.585	S	S	.	*	S	Bend	trans	-61.7	122.9	166.3	-60	-61.2	165.8	0	0	109.9	K113 K119	K113-E117 WeakPolarHBondContact CE-OE1 3.44Å; K113-E117 PolarHBondContact O-N 3.04Å; E117-K119 PolarHBondContact O-N 3.04Å
118	P	61.9	Low	68.7	Low	106 Å²	106	123.9 Å²	123.9	69%	0.688	62%	0.623	S	S	*	*			trans	-61.7	128.4	176.4	-22.7	33.9	0	0	0	110.8	L116 T120	L116-P118 WeakPolarHBondContact O-CD 3.47Å; P118-T120 VanDerWaalsContact C-N 3.31Å; P118-T120 PolarHBondContact O-N 3.02Å
119	K	58.3	Low	66.4	Low	198 Å²	198	128.5 Å²	128.5	86%	0.861	66%	0.657	S	S	*	*			trans	-66.7	88.2	173.3	-71.7	-174.7	178.3	-178.8	0	110.3	E117 A121	E117-K119 PolarHBondContact O-N 3.04Å; K119-A121 PolarHBondContact O-N 3.18Å
120	T	51.8	Low	64.3	Low	132 Å²	132	133 Å²	133	81%	0.81	68%	0.675	S	S	*	*			trans	-64	104.3	170.4	43.3	0	0	0	0	109.2	P118 T122	P118-T120 VanDerWaalsContact C-N 3.31Å; P118-T120 PolarHBondContact O-N 3.02Å; T120-T122 VanDerWaalsContact C-N 3.32Å; T120-T122 PolarHBondContact O-N 2.81Å
121	A	48.5	Very low	62.1	Low	102 Å²	102	139 Å²	139	84%	0.843	70%	0.695	S	S	*	*			trans	-77.9	71.6	-167.4	0	0	0	0	0	113.4	K119	K119-A121 PolarHBondContact O-N 3.18Å
122	T	47.9	Very low	60.1	Low	122 Å²	122	143 Å²	143	75%	0.748	71%	0.714	S	S	*	*			trans	-147.2	89.1	160.1	-58.9	0	0	0	0	111.5	T120	T120-T122 VanDerWaalsContact C-N 3.32Å; T120-T122 PolarHBondContact O-N 2.81Å
123	Q	54.6	Low	58.1	Low	204 Å²	204	151.6 Å²	151.6	95%	0.953	75%	0.754	S	S	*	*			trans	-124.9	69.9	150.7	-73.7	-141.7	64.8	0	0	109
124	A	50.9	Low	56.3	Low	77 Å²	77	155.5 Å²	155.5	64%	0.636	77%	0.774	S	S	*	*			trans	-70.7	129.7	170	0	0	0	0	0	109.5	K126	A124-K126 PolarHBondContact O-N 2.98Å; A124-K126 VanDerWaalsContact O-N 3.09Å
125	P	54.7	Low	54.3	Low	119 Å²	119	154 Å²	154	77%	0.773	78%	0.78	S	S	*	*			trans	-67.2	112.7	-175.9	25.9	-33.9	0	0	0	110.8	R127	P125-R127 VanDerWaalsContact C-N 3.25Å; P125-R127 PolarHBondContact O-N 2.75Å
126	K	53.7	Low	52.9	Low	205 Å²	205	157.1 Å²	157.1	89%	0.891	80%	0.8	S	S	*	*			trans	-69.4	77.2	177	-74.1	-177.8	177.4	174	0	111.3	A124 K128	A124-K126 PolarHBondContact O-N 2.98Å; A124-K126 VanDerWaalsContact O-N 3.09Å; K126-K128 PolarHBondContact O-N 2.81Å; K126-K128 VanDerWaalsContact O-N 3.08Å
127	R	55.2	Low	51.6	Low	236 Å²	236	157.5 Å²	157.5	89%	0.891	82%	0.815	S	S	*	*			trans	-55.7	112.4	166.2	-79.9	-175.5	163.6	-170	-4.8	109.2	P125 P129	P125-R127 VanDerWaalsContact C-N 3.25Å; P125-R127 PolarHBondContact O-N 2.75Å; R127-P129 WeakPolarHBondContact O-CD 3.47Å
128	K	53	Low	50.6	Low	200 Å²	200	159 Å²	159	87%	0.87	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-62	121	175.5	-65.6	177.7	-179.3	174.9	0	109.3	K126 K130	K126-K128 PolarHBondContact O-N 2.81Å; K126-K128 VanDerWaalsContact O-N 3.08Å; K128-K130 PolarHBondContact O-N 3.26Å
129	P	49.1	Very low	49.6	Very low	126 Å²	126	159.7 Å²	159.7	82%	0.818	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-70.9	125.4	173.5	28.3	-32.5	0	0	0	109.7	R127 K131	R127-P129 WeakPolarHBondContact O-CD 3.47Å; P129-K131 PolarHBondContact O-N 2.75Å
130	K	51	Low	49.2	Very low	202 Å²	202	158.3 Å²	158.3	88%	0.878	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-67.7	122.4	165.7	-80	-175.6	173.4	-178.7	0	108.2	K128 Q132	K128-K130 PolarHBondContact O-N 3.26Å; K130-Q132 PolarHBondContact O-N 3Å
131	K	46.2	Very low	49.1	Very low	200 Å²	200	156.7 Å²	156.7	87%	0.87	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-62	120.2	164.4	-87	-175.7	170.8	-177.8	0	108.7	P129	P129-K131 PolarHBondContact O-N 2.75Å
132	Q	47.9	Very low	49.7	Very low	189 Å²	189	156.7 Å²	156.7	88%	0.883	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-92.9	135.7	151.7	-72.3	175.8	-43.9	0	0	107.1	K130	K130-Q132 PolarHBondContact O-N 3Å
133	Q	47.8	Very low	50.1	Low	182 Å²	182	156.8 Å²	156.8	85%	0.85	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-101.4	133.3	169.6	-75.7	173.3	-85.6	0	0	108.5
134	Q	48.9	Very low	50.2	Low	190 Å²	190	153.7 Å²	153.7	89%	0.888	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-79.2	146.4	165.1	-71.8	174.5	-53	0	0	109.4
135	P	39.8	Very low	51.1	Low	122 Å²	122	155.2 Å²	155.2	79%	0.792	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-93	140.3	174.5	35.1	-31.3	0	0	0	111.6
136	E	47.3	Very low	51.2	Low	191 Å²	191	154.8 Å²	154.8	89%	0.893	84%	0.836	S	S	*	*			trans	-137.4	136.8	164.9	-74	-160.7	139.6	0	0	112.7
137	A	44.2	Very low	51	Low	92 Å²	92	152.7 Å²	152.7	76%	0.76	83%	0.829	S	S	*	*			trans	74.5	145.9	148.6	0	0	0	0	0	122.9
138	V	49.8	Very low	50.9	Low	144 Å²	144	148.9 Å²	148.9	87%	0.873	82%	0.822	S	S	*	*			trans	80	147.6	163.1	-159.1	0	0	0	0	117.3
139	T	41	Very low	51.1	Low	121 Å²	121	143 Å²	143	74%	0.742	81%	0.806	S	S	*	*			trans	-137.8	164.5	-155.2	-25.5	0	0	0	0	112.1
140	L	49.9	Very low	51.2	Low	169 Å²	169	143 Å²	143	89%	0.885	80%	0.803	S	S	*	*			trans	89	155.8	162.9	-62.7	147.5	0	0	0	118.8
141	A	49.1	Very low	51.2	Low	97 Å²	97	138.7 Å²	138.7	80%	0.802	80%	0.798	S	S	*	*			trans	78.9	74.8	170	0	0	0	0	0	120.2
142	A	61.4	Low	51.5	Low	103 Å²	103	135.3 Å²	135.3	85%	0.851	80%	0.795	S	S	*	*				31.9	154.8	129.2	0	0	0	0	0	124.4
143	P	56.9	Low	51.9	Low	124 Å²	124	131.3 Å²	131.3	81%	0.805	79%	0.788	S	S	*	*			trans	-125.1	167.5	-157.4	42.6	-28.2	0	0	0	117.5
144	V	57.3	Low	52.4	Low	138 Å²	138	128.3 Å²	128.3	84%	0.836	78%	0.782	S	S	*	*			trans	-160.1	107.9	157.5	50.8	0	0	0	0	113.8
145	S	68.5	Low	52.8	Low	109 Å²	109	124.8 Å²	124.8	76%	0.762	77%	0.774	S	S	*	*				41	164.2	124.1	-100	0	0	0	0	124.2
146	P	57.6	Low	53.5	Low	111 Å²	111	123.8 Å²	123.8	72%	0.721	77%	0.77	S	S	*	*				-133.1	-128.4	-116.8	42.9	-21.4	0	0	0	115
147	E	49.9	Very low	53.9	Low	160 Å²	160	121.5 Å²	121.5	75%	0.748	77%	0.769	S	S	*	*			trans	80.4	152	-179.7	-55.7	-161.2	78.1	0	0	115.9
148	Q	52.2	Low	54.6	Low	157 Å²	157	123 Å²	123	73%	0.734	77%	0.768	S	S	*	*			cis	-164	172.2	-12	-119	-158.9	89.3	0	0	107.8
149	S	57.3	Low	55.3	Low	77 Å²	77	122.4 Å²	122.4	54%	0.538	77%	0.765	S	S	.	*			cis	-168.4	164.5	-10.7	-138.8	0	0	0	0	111.4
150	V	52	Low	55.7	Low	125 Å²	125	123.6 Å²	123.6	76%	0.758	77%	0.767	S	S	*	*			trans	49.4	147.4	159.1	-58.1	0	0	0	0	121.6
151	S	50.4	Low	56.3	Low	111 Å²	111	126.1 Å²	126.1	78%	0.776	77%	0.767	S	S	*	*			cis	100.6	129.1	12.8	-60.5	0	0	0	0	117.4
152	T	52.9	Low	56.2	Low	130 Å²	130	127.3 Å²	127.3	80%	0.798	77%	0.769	S	S	*	*			trans	163.2	111	154.2	-71.9	0	0	0	0	108.7
153	S	56.3	Low	55.6	Low	104 Å²	104	126.8 Å²	126.8	73%	0.727	77%	0.765	S	S	*	*				64.9	146.1	89.8	-42.6	0	0	0	0	114.9
154	T	58.3	Low	55.1	Low	120 Å²	120	125.7 Å²	125.7	74%	0.736	77%	0.766	S	S	*	*			cis	-153.2	-171.6	6.7	-14.7	0	0	0	0	107.5
155	T	57.2	Low	54.7	Low	116 Å²	116	124.5 Å²	124.5	71%	0.712	76%	0.764	S	S	*	*			cis	-156.9	141.2	8.4	11.1	0	0	0	0	106
156	S	53.6	Low	53.8	Low	101 Å²	101	125.1 Å²	125.1	71%	0.706	77%	0.768	S	S	*	*				71.6	109.6	72.4	-48.4	0	0	0	0	117.1
157	T	57	Low	53.2	Low	142 Å²	142	125 Å²	125	87%	0.871	77%	0.77	S	S	*	*			trans	-168.2	144.2	138.1	-70.8	0	0	0	0	108.7
158	T	58.9	Low	53.6	Low	123 Å²	123	126 Å²	126	76%	0.755	78%	0.779	S	S	*	*			trans	-139	141.5	-171.9	49.6	0	0	0	0	111.9
159	T	62.9	Low	53.4	Low	132 Å²	132	127.1 Å²	127.1	81%	0.81	79%	0.785	S	S	*	*			trans	-148	113	160.1	-38.6	0	0	0	0	110.9
160	D	49.7	Very low	52.7	Low	147 Å²	147	131.6 Å²	131.6	79%	0.786	80%	0.803	S	S	*	*			trans	-88.6	151.1	172.4	-66.2	-78.5	0	0	0	112
161	Y	62.7	Low	52.4	Low	222 Å²	222	129.7 Å²	129.7	87%	0.871	80%	0.8	S	S	*	*			trans	-142.7	135.3	153.9	60.2	-91.9	0	0	0	109.9
162	S	46.8	Very low	52	Low	121 Å²	121	132.5 Å²	132.5	85%	0.846	81%	0.806	S	S	*	*			trans	-142.3	115.1	-171.4	-79.1	0	0	0	0	112.8
163	A	48.7	Very low	51.1	Low	93 Å²	93	131.3 Å²	131.3	77%	0.769	80%	0.803	S	S	*	*			trans	-158.6	123.9	158.5	0	0	0	0	0	105.9
164	A	47.3	Very low	50.3	Low	101 Å²	101	135 Å²	135	84%	0.835	81%	0.807	S	S	*	*				64.8	131.9	59	0	0	0	0	0	112.9
165	S	48.2	Very low	49.4	Very low	113 Å²	113	134.9 Å²	134.9	79%	0.79	81%	0.806	S	S	*	*			cis	-169.9	132.3	-12.8	178.2	0	0	0	0	109.8
166	S	50.8	Low	49	Very low	122 Å²	122	133.5 Å²	133.5	85%	0.853	80%	0.801	S	S	*	*			trans	-169.4	138.6	149.7	49.1	0	0	0	0	112.2
167	S	44.8	Very low	48.7	Very low	108 Å²	108	137.2 Å²	137.2	76%	0.755	81%	0.807	S	S	*	*			trans	-100.3	141.6	-179.9	-31.7	0	0	0	0	111.1
168	L	57.3	Low	48.3	Very low	180 Å²	180	139.8 Å²	139.8	94%	0.942	81%	0.809	S	S	*	*			trans	-143.4	145.9	143.6	-83.6	-173.1	0	0	0	109.2
169	E	47.7	Very low	47.6	Very low	182 Å²	182	140.4 Å²	140.4	85%	0.85	80%	0.804	S	S	*	*			trans	-100.8	141.2	-169.8	-56.4	174.8	133.6	0	0	111
170	N	43.7	Very low	47.1	Very low	171 Å²	171	141.5 Å²	141.5	91%	0.914	81%	0.805	S	S	*	*			trans	-161.9	145.5	145.5	-116.4	-16.3	0	0	0	111.3
171	A	45.6	Very low	47.4	Very low	84 Å²	84	142.8 Å²	142.8	69%	0.694	80%	0.8	S	S	*	*			trans	-78.3	150.4	172	0	0	0	0	0	109.6
172	D	41	Very low	47.3	Very low	170 Å²	170	140.8 Å²	140.8	91%	0.909	80%	0.798	S	S	*	*				-149.1	158.4	64.7	-109.2	-43.5	0	0	0	114
173	S	35.6	Very low	47.9	Very low	105 Å²	105	141 Å²	141	73%	0.734	79%	0.788	S	S	*	*			trans	-106.3	117.6	-175.4	-173.9	0	0	0	0	112.5
174	F	39.1	Very low	48.4	Very low	182 Å²	182	141.7 Å²	141.7	80%	0.798	78%	0.779	S	S	*	*			trans	-136.9	102.5	162.8	-170.4	-99.9	0	0	0	110.7	S176	F174-S176 PolarHBondContact O-N 2.78Å
175	T	37.9	Very low	49	Very low	117 Å²	117	142 Å²	142	72%	0.718	77%	0.767	S	S	*	*			trans	-80.2	93.1	175.7	50.6	0	0	0	0	110.4	E177	T175-E177 PolarHBondContact O-N 3.21Å
176	S	49.4	Very low	50.2	Low	88 Å²	88	139.3 Å²	139.3	62%	0.615	75%	0.748	S	S	*	*			trans	-78.4	101	163.4	52.7	0	0	0	0	109.6	F174 E178	F174-S176 PolarHBondContact O-N 2.78Å; S176-E178 PolarHBondContact O-N 3.36Å
177	E	48.3	Very low	50.5	Low	178 Å²	178	140.2 Å²	140.2	83%	0.832	74%	0.737	S	S	*	*			trans	-67	125.7	169.2	-65.3	176.7	113.3	0	0	109.3	T175 E179	T175-E177 PolarHBondContact O-N 3.21Å; E177-E179 PolarHBondContact O-N 2.69Å
178	E	47.5	Very low	51.4	Low	197 Å²	197	143.3 Å²	143.3	92%	0.921	73%	0.732	S	S	*	*			trans	-78.9	86.4	177.9	-65.9	-167.2	132.5	0	0	110.3	S176 D180	S176-E178 PolarHBondContact O-N 3.36Å; E178-D180 PolarHBondContact O-N 2.74Å
179	E	45.4	Very low	51.5	Low	135 Å²	135	138.2 Å²	138.2	63%	0.631	71%	0.712	S	S	*	*			trans	-70.8	111.5	166.4	-73.2	-165.1	134.3	0	0	110.1	E177 Y181	E177-E179 PolarHBondContact O-N 2.69Å; E179-Y181 HydrophobicContact CB-CD2 3.88Å; E179-Y181 HydrophobicContact CB-CE2 3.43Å; E179-Y181 VanDerWaalsContact CB-CE2 3.43Å; E179-Y181 HydrophobicContact CG-CE2 4.31Å; E179-Y181 WeakPolarHBondContact O-CD2 3.18Å; E179-Y181 PolarHBondContact O-N 3.47Å; E179-Y181 WeakPolarHBondContact OE2-CE2 3.13Å; E179-Y181 VanDerWaalsContact OE2-CZ 3.29Å; E179-Y181 PolarHBondContact OE2-OH 3.34Å
180	D	52.2	Low	51.6	Low	156 Å²	156	136 Å²	136	83%	0.834	70%	0.701	S	S	*	*			trans	-71.9	86.8	176.5	-174.7	26.4	0	0	0	111.3	E178 Q182	E178-D180 PolarHBondContact O-N 2.74Å; D180-Q182 PolarHBondContact O-N 2.82Å
181	Y	55.5	Low	52.1	Low	174 Å²	174	132.5 Å²	132.5	68%	0.682	69%	0.686	S	S	*	*			trans	-77.5	85.9	175.4	-79.2	-82	0	0	0	111.1	E179 I183	E179-Y181 HydrophobicContact CB-CD2 3.88Å; E179-Y181 HydrophobicContact CB-CE2 3.43Å; E179-Y181 VanDerWaalsContact CB-CE2 3.43Å; E179-Y181 HydrophobicContact CG-CE2 4.31Å; E179-Y181 WeakPolarHBondContact O-CD2 3.18Å; E179-Y181 PolarHBondContact O-N 3.47Å; E179-Y181 WeakPolarHBondContact OE2-CE2 3.13Å; E179-Y181 VanDerWaalsContact OE2-CZ 3.29Å; E179-Y181 PolarHBondContact OE2-OH 3.34Å; Y181-I183 PolarHBondContact O-N 2.99Å
182	Q	59.8	Low	52.7	Low	180 Å²	180	135.2 Å²	135.2	84%	0.841	69%	0.688	S	S	*	*			trans	-44.6	119.5	167.8	-177.7	179.9	-23.8	0	0	110.7	D180	D180-Q182 PolarHBondContact O-N 2.82Å
183	I	59.8	Low	53.7	Low	124 Å²	124	130.8 Å²	130.8	64%	0.636	68%	0.675	S	S	*	*			trans	-69.3	131.5	175.8	-64.7	173.4	0	0	0	108.6	Y181 D185	Y181-I183 PolarHBondContact O-N 2.99Å; I183-D185 PolarHBondContact O-N 3.4Å
184	D	60.2	Low	54.5	Low	108 Å²	108	133.7 Å²	133.7	58%	0.578	68%	0.679	S	S	*	*			trans	-75.9	103	171.7	177.9	29.4	0	0	0	110.9	S186	D184-S186 VanDerWaalsContact CG-OG 3.23Å; D184-S186 PolarHBondContact O-N 3.35Å; D184-S186 WeakPolarHBondContact OD1-CB 3.45Å; D184-S186 PolarHBondContact OD1-N 3.17Å; D184-S186 PolarHBondContact OD1-OG 2.83Å; D184-S186 WeakPolarHBondContact OD2-CB 3.39Å; D184-S186 PolarHBondContact OD2-OG 2.68Å
185	D	60	Low	55	Low	108 Å²	108	128.3 Å²	128.3	58%	0.578	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-3.1	176.4	-77.6	-49.5	0	0	0	113.6	I183 F187 W188 S189	I183-D185 PolarHBondContact O-N 3.4Å; D185-F187 VanDerWaalsContact C-N 3.3Å; D185-F187 PolarHBondContact O-N 3.41Å; D185-W188 PolarHBondContact O-N 3.29Å; D185-S189 WeakPolarHBondContact O-CB 3.25Å; D185-S189 PolarHBondContact O-N 3.18Å; D185-S189 PolarHBondContact O-OG 3.43Å
186	S	72.8	Confident	55.8	Low	56 Å²	56	129.7 Å²	129.7	39%	0.392	68%	0.676	S	S	.	*	H	α-helix	trans	-58.9	-41.7	175.8	84.3	0	0	0	0	111.8	D184 W188 S189 E190	D184-S186 VanDerWaalsContact CG-OG 3.23Å; D184-S186 PolarHBondContact O-N 3.35Å; D184-S186 WeakPolarHBondContact OD1-CB 3.45Å; D184-S186 PolarHBondContact OD1-N 3.17Å; D184-S186 PolarHBondContact OD1-OG 2.83Å; D184-S186 WeakPolarHBondContact OD2-CB 3.39Å; D184-S186 PolarHBondContact OD2-OG 2.68Å; S186-W188 PolarHBondContact O-N 2.98Å; S186-S189 WeakPolarHBondContact O-CA 3.42Å; S186-S189 WeakPolarHBondContact O-CB 3.28Å; S186-S189 PolarHBondContact O-N 3.3Å; S186-E190 PolarHBondContact O-N 3.33Å
187	F	57.5	Low	55.6	Low	141 Å²	141	132 Å²	132	62%	0.618	68%	0.682	S	S	*	*	H	α-helix	trans	-63.8	-37.7	-175.2	-177.6	-104.4	0	0	0	113.7	D185 S189 T191	D185-F187 VanDerWaalsContact C-N 3.3Å; D185-F187 PolarHBondContact O-N 3.41Å; F187-S189 VanDerWaalsContact C-N 3.35Å; F187-T191 PolarHBondContact O-OG1 3.01Å
188	W	63.6	Low	55.7	Low	173 Å²	173	128.9 Å²	128.9	66%	0.655	68%	0.679	S	S	*	*	H	α-helix	trans	-75.4	-27.5	174.3	-67.8	112.5	0	0	0	112.3	D185 S186	D185-W188 PolarHBondContact O-N 3.29Å; S186-W188 PolarHBondContact O-N 2.98Å
189	S	59.8	Low	55.7	Low	73 Å²	73	124.7 Å²	124.7	51%	0.51	67%	0.672	S	S	.	*	H	α-helix	trans	-74	-50.1	179.2	-57	0	0	0	0	111.6	D185 S186 F187 T191 L192 A193	D185-S189 WeakPolarHBondContact O-CB 3.25Å; D185-S189 PolarHBondContact O-N 3.18Å; D185-S189 PolarHBondContact O-OG 3.43Å; S186-S189 WeakPolarHBondContact O-CA 3.42Å; S186-S189 WeakPolarHBondContact O-CB 3.28Å; S186-S189 PolarHBondContact O-N 3.3Å; F187-S189 VanDerWaalsContact C-N 3.35Å; S189-T191 VanDerWaalsContact C-N 3.35Å; S189-T191 PolarHBondContact O-N 3.09Å; S189-L192 PolarHBondContact O-N 3.1Å; S189-L192 VanDerWaalsContact O-N 3.17Å; S189-A193 WeakPolarHBondContact O-CB 3.28Å; S189-A193 PolarHBondContact O-N 3.13Å
190	E	48.2	Very low	55.9	Low	137 Å²	137	125.2 Å²	125.2	64%	0.64	68%	0.679	S	S	*	*	H	α-helix	trans	-63.7	-39.5	-175.8	-164.3	170.4	121.5	0	0	112.1	S186 L192 A193 M194	S186-E190 PolarHBondContact O-N 3.33Å; E190-L192 PolarHBondContact O-N 3.43Å; E190-A193 PolarHBondContact O-N 2.66Å; E190-M194 WeakPolarHBondContact O-CG 3.33Å; E190-M194 PolarHBondContact O-N 3.1Å
191	T	54.7	Low	55.6	Low	96 Å²	96	122.8 Å²	122.8	59%	0.589	67%	0.674	S	S	*	*	H	α-helix	trans	-64.6	-25	178.4	-48.3	0	0	0	0	113	F187 S189	F187-T191 PolarHBondContact O-OG1 3.01Å; S189-T191 VanDerWaalsContact C-N 3.35Å; S189-T191 PolarHBondContact O-N 3.09Å
192	L	58.3	Low	54.8	Low	142 Å²	142	118 Å²	118	74%	0.743	68%	0.678	S	S	*	*	H	α-helix	trans	-92	-21.1	171.1	-95.7	91.6	0	0	0	113.5	S189 E190 M194	S189-L192 PolarHBondContact O-N 3.1Å; S189-L192 VanDerWaalsContact O-N 3.17Å; E190-L192 PolarHBondContact O-N 3.43Å; L192-M194 VanDerWaalsContact C-N 3.34Å
193	A	61.3	Low	54.4	Low	76 Å²	76	119 Å²	119	63%	0.628	69%	0.686	S	S	*	*	H	α-helix	trans	-76.8	-17.5	-176.4	0	0	0	0	0	113.8	S189 E190 A195	S189-A193 WeakPolarHBondContact O-CB 3.28Å; S189-A193 PolarHBondContact O-N 3.13Å; E190-A193 PolarHBondContact O-N 2.66Å; A193-A195 PolarHBondContact O-N 3.07Å
194	M	53.5	Low	53.6	Low	166 Å²	166	122.1 Å²	122.1	82%	0.818	70%	0.697	S	S	*	*			trans	-74.5	40.6	177.8	-53.6	-128.8	85.6	0	0	113.2	E190 L192 V196	E190-M194 WeakPolarHBondContact O-CG 3.33Å; E190-M194 PolarHBondContact O-N 3.1Å; L192-M194 VanDerWaalsContact C-N 3.34Å; M194-V196 PolarHBondContact O-N 3.39Å
195	A	49.6	Very low	52.4	Low	70 Å²	70	126.1 Å²	126.1	58%	0.579	71%	0.713	S	S	*	*			trans	-88.1	101.6	-174.5	0	0	0	0	0	111.9	A193 D197	A193-A195 PolarHBondContact O-N 3.07Å; A195-D197 PolarHBondContact O-N 2.73Å
196	V	53.5	Low	51.5	Low	145 Å²	145	125.9 Å²	125.9	88%	0.879	73%	0.726	S	S	*	*			trans	44.9	62.2	150.2	-63.3	0	0	0	0	117.4	M194	M194-V196 PolarHBondContact O-N 3.39Å
197	D	46.9	Very low	49.9	Very low	138 Å²	138	133 Å²	133	74%	0.738	75%	0.753	S	S	*	*			trans	-86.4	122.7	148.6	-172.7	7.6	0	0	0	108.9	A195 S199	A195-D197 PolarHBondContact O-N 2.73Å; D197-S199 PolarHBondContact OD1-N 3.04Å; D197-S199 PolarHBondContact OD1-OG 3.38Å
198	S	49.4	Very low	49	Very low	111 Å²	111	130 Å²	130	78%	0.776	76%	0.761	S	S	*	*			trans	-152.7	56.9	173.9	-178.1	0	0	0	0	108.5	D200	S198-D200 PolarHBondContact O-N 3.05Å
199	S	48.8	Very low	48.1	Very low	109 Å²	109	125.9 Å²	125.9	76%	0.762	76%	0.764	S	S	*	*			trans	-63.1	118.1	171.1	-59.1	0	0	0	0	110.7	D197	D197-S199 PolarHBondContact OD1-N 3.04Å; D197-S199 PolarHBondContact OD1-OG 3.38Å
200	D	48.1	Very low	47.1	Very low	146 Å²	146	132.8 Å²	132.8	78%	0.781	79%	0.785	S	S	*	*			trans	-138.9	155.4	169.3	-164.8	6.8	0	0	0	111.1	S198	S198-D200 PolarHBondContact O-N 3.05Å
201	S	46.4	Very low	46.7	Very low	105 Å²	105	129.8 Å²	129.8	73%	0.734	79%	0.791	S	S	*	*			trans	-29.8	141.2	-176.9	47.2	0	0	0	0	118.8
202	G	39.9	Very low	46.1	Very low	75 Å²	75	130.4 Å²	130.4	77%	0.773	81%	0.806	S	S	*	*			trans	-101.5	165.2	164.9	0	0	0	0	0	112.6
203	M	50.7	Low	45.5	Very low	201 Å²	201	129 Å²	129	99%	0.99	81%	0.808	S	S	*	*			trans	-147.7	159.1	165.6	-116.4	179.5	175	0	0	109.7
204	E	42.7	Very low	45.2	Very low	189 Å²	189	130.8 Å²	130.8	88%	0.883	81%	0.813	S	S	*	*			trans	-95	167	-163.4	-64.4	177.5	123.6	0	0	114.7
205	E	34.5	Very low	45.4	Very low	192 Å²	192	129 Å²	129	90%	0.897	81%	0.813	S	S	*	*			trans	9	123.6	163	-57.8	-172.2	154.2	0	0	121
206	A	41.5	Very low	45.3	Very low	103 Å²	103	129.9 Å²	129.9	85%	0.851	82%	0.821	S	S	*	*				-162.5	140.9	127.8	0	0	0	0	0	111.6
207	E	38.6	Very low	45.1	Very low	206 Å²	206	128.8 Å²	128.8	96%	0.963	82%	0.817	S	S	*	*			trans	-87.4	137.5	173.6	-54.2	-134.8	128	0	0	111.3
208	G	39.1	Very low	45.2	Very low	77 Å²	77	126 Å²	126	79%	0.794	81%	0.809	S	S	*	*			trans	-179.2	96.1	-179.6	0	0	0	0	0	118.3
209	A	44.7	Very low	45.4	Very low	86 Å²	86	127.4 Å²	127.4	71%	0.711	81%	0.813	S	S	*	*			trans	19.9	118.9	149.3	0	0	0	0	0	122
210	F	38.5	Very low	45.6	Very low	219 Å²	219	126.9 Å²	126.9	96%	0.961	80%	0.801	S	S	*	*			trans	36.9	93.3	136.9	-57.1	-80.7	0	0	0	119.6
211	G	40.7	Very low	45.9	Very low	74 Å²	74	125.8 Å²	125.8	76%	0.763	80%	0.795	S	S	*	*			trans	-142.9	147.2	162.7	0	0	0	0	0	111.3
212	A	42.2	Very low	46.6	Very low	108 Å²	108	126 Å²	126	89%	0.893	79%	0.788	S	S	*	*			trans	-87.5	131.9	-176.9	0	0	0	0	0	112.4
213	S	44.5	Very low	48.3	Very low	113 Å²	113	126.6 Å²	126.6	79%	0.79	78%	0.777	S	S	*	*			trans	-108	139.7	172.7	-66.8	0	0	0	0	111.6
214	P	56	Low	49.4	Very low	114 Å²	114	121.8 Å²	121.8	74%	0.74	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-73.1	159.4	174.5	31.9	-35.4	0	0	0	111.9
215	P	57.2	Low	51.1	Low	127 Å²	127	118.7 Å²	118.7	83%	0.825	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-69.1	145	177.9	29.2	-35	0	0	0	112.4
216	A	48.2	Very low	53.2	Low	89 Å²	89	116.1 Å²	116.1	74%	0.736	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-62.6	153.1	178.1	0	0	0	0	0	113	S218	A216-S218 PolarHBondContact O-N 3.06Å
217	P	47.9	Very low	54.9	Low	122 Å²	122	116.2 Å²	116.2	79%	0.792	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-60.4	132.9	-179.1	24.4	-34.5	0	0	0	112.3
218	S	48.9	Very low	56.8	Low	81 Å²	81	113.2 Å²	113.2	57%	0.566	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-81.1	135	-178.7	59.4	0	0	0	0	112	A216 N220	A216-S218 PolarHBondContact O-N 3.06Å; S218-N220 VanDerWaalsContact C-N 3.26Å; S218-N220 PolarHBondContact O-N 3.26Å
219	T	54.3	Low	58.7	Low	140 Å²	140	113.6 Å²	113.6	86%	0.859	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	62.3	-173.8	63.3	0	0	0	0	114.5
220	N	53.4	Low	60.1	Low	98 Å²	98	117 Å²	117	52%	0.524	67%	0.673	S	S	.	*	T	Hydrogen-bonded Turn	trans	-113.8	-18.5	179.8	-76.7	-31.3	0	0	0	113.9	S218 D222 V223	S218-N220 VanDerWaalsContact C-N 3.26Å; S218-N220 PolarHBondContact O-N 3.26Å; N220-D222 PolarHBondContact O-N 3.04Å; N220-D222 VanDerWaalsContact O-N 3.08Å; N220-V223 VanDerWaalsContact O-CG2 3.23Å; N220-V223 WeakPolarHBondContact O-CG2 3.14Å; N220-V223 PolarHBondContact O-N 3.39Å; N220-V223 VanDerWaalsContact O-N 3.1Å
221	D	54.2	Low	62.1	Low	122 Å²	122	112.4 Å²	112.4	65%	0.652	66%	0.656	S	S	*	*	H	α-helix	trans	-60.9	-26.5	-170.5	-49.9	-83	0	0	0	114.2	D224 F225	D221-D224 PolarHBondContact O-N 3.37Å; D221-F225 PolarHBondContact O-N 2.86Å
222	D	60.7	Low	63.7	Low	111 Å²	111	114.5 Å²	114.5	59%	0.594	65%	0.645	S	S	*	*	H	α-helix	trans	-63	-40.9	177.2	-162.1	-11.3	0	0	0	111.8	N220 F225 W226	N220-D222 PolarHBondContact O-N 3.04Å; N220-D222 VanDerWaalsContact O-N 3.08Å; D222-F225 PolarHBondContact O-N 3.45Å; D222-W226 PolarHBondContact O-N 3.23Å; D222-W226 VanDerWaalsContact OD1-CD1 3.27Å; D222-W226 PolarHBondContact OD1-NE1 2.88Å
223	V	75	Confident	65	Low	87 Å²	87	112.1 Å²	112.1	53%	0.527	63%	0.626	S	S	.	*	H	α-helix	trans	-71.8	-34.2	179.8	-59.4	0	0	0	0	112.5	N220 W226 L227	N220-V223 VanDerWaalsContact O-CG2 3.23Å; N220-V223 WeakPolarHBondContact O-CG2 3.14Å; N220-V223 PolarHBondContact O-N 3.39Å; N220-V223 VanDerWaalsContact O-N 3.1Å; V223-W226 PolarHBondContact O-N 3.45Å; V223-L227 WeakPolarHBondContact O-CB 3.28Å; V223-L227 WeakPolarHBondContact O-CG 3.29Å; V223-L227 PolarHBondContact O-N 3.01Å
224	D	74.7	Confident	65.9	Low	100 Å²	100	109.8 Å²	109.8	54%	0.535	61%	0.61	S	S	.	*	H	α-helix	trans	-72.9	-32.4	177.1	-76.8	-16.9	0	0	0	111.9	D221 K228	D221-D224 PolarHBondContact O-N 3.37Å; D224-K228 WeakPolarHBondContact O-CB 3.18Å; D224-K228 PolarHBondContact O-N 2.82Å
225	F	78.8	Confident	66	Low	124 Å²	124	110.1 Å²	110.1	54%	0.544	61%	0.605	S	S	.	*	H	α-helix	trans	-58.5	-50.6	169.5	175.1	-96.3	0	0	0	111.7	D221 D222 K228 L229	D221-F225 PolarHBondContact O-N 2.86Å; D222-F225 PolarHBondContact O-N 3.45Å; F225-K228 PolarHBondContact O-N 3.42Å; F225-L229 HydrophobicContact CE1-CD2 4.23Å; F225-L229 HydrophobicContact CZ-CD2 4.38Å; F225-L229 WeakPolarHBondContact O-CB 3.32Å; F225-L229 PolarHBondContact O-N 3.49Å
226	W	78.3	Confident	65.9	Low	138 Å²	138	111 Å²	111	52%	0.523	60%	0.6	S	S	.	*	H	α-helix	trans	-69.7	-36.7	-179.9	-72.5	106	0	0	0	113.2	D222 V223 L229 F230	D222-W226 PolarHBondContact O-N 3.23Å; D222-W226 VanDerWaalsContact OD1-CD1 3.27Å; D222-W226 PolarHBondContact OD1-NE1 2.88Å; V223-W226 PolarHBondContact O-N 3.45Å; W226-L229 HydrophobicContact CE3-CD2 3.96Å; W226-L229 HydrophobicContact CZ3-CD2 3.75Å; W226-F230 WeakPolarHBondContact O-CB 3.44Å; W226-F230 PolarHBondContact O-N 3.18Å
227	L	76.5	Confident	66.2	Low	104 Å²	104	114.8 Å²	114.8	55%	0.545	60%	0.603	S	S	.	*	H	α-helix	trans	-60.9	-48.4	172.5	-82.2	164.9	0	0	0	111.4	V223 L229 F230 M231	V223-L227 WeakPolarHBondContact O-CB 3.28Å; V223-L227 WeakPolarHBondContact O-CG 3.29Å; V223-L227 PolarHBondContact O-N 3.01Å; L227-L229 PolarHBondContact O-N 3.13Å; L227-F230 PolarHBondContact O-N 3.5Å; L227-M231 WeakPolarHBondContact O-CG 3.32Å; L227-M231 PolarHBondContact O-N 3.4Å
228	K	78.6	Confident	66	Low	144 Å²	144	116.3 Å²	116.3	63%	0.626	60%	0.604	S	S	*	*	H	α-helix	trans	-61.7	-45.3	178.2	-173.2	174.7	-177.5	177.7	0	111.5	D224 F225 F230 M231 Q232	D224-K228 WeakPolarHBondContact O-CB 3.18Å; D224-K228 PolarHBondContact O-N 2.82Å; F225-K228 PolarHBondContact O-N 3.42Å; K228-F230 VanDerWaalsContact C-N 3.32Å; K228-F230 PolarHBondContact O-N 2.69Å; K228-M231 PolarHBondContact O-N 3.06Å; K228-Q232 VanDerWaalsContact O-CB 3.26Å; K228-Q232 WeakPolarHBondContact O-CB 3.39Å; K228-Q232 PolarHBondContact O-N 2.87Å
229	L	78.5	Confident	65.8	Low	84 Å²	84	117.1 Å²	117.1	44%	0.44	61%	0.61	S	S	.	*	H	α-helix	trans	-62.9	-37.4	177.2	-176.3	61.9	0	0	0	112.3	F225 W226 L227 A233	F225-L229 HydrophobicContact CE1-CD2 4.23Å; F225-L229 HydrophobicContact CZ-CD2 4.38Å; F225-L229 WeakPolarHBondContact O-CB 3.32Å; F225-L229 PolarHBondContact O-N 3.49Å; W226-L229 HydrophobicContact CE3-CD2 3.96Å; W226-L229 HydrophobicContact CZ3-CD2 3.75Å; L227-L229 PolarHBondContact O-N 3.13Å; L229-A233 WeakPolarHBondContact O-CB 3.44Å; L229-A233 PolarHBondContact O-N 3.12Å; L229-A233 VanDerWaalsContact O-N 3.08Å
230	F	74.7	Confident	65.5	Low	158 Å²	158	115.8 Å²	115.8	69%	0.693	60%	0.604	S	S	*	*	H	α-helix	trans	-67	-45.6	177.1	-165	-89.5	0	0	0	111.7	W226 L227 K228 A233 S234	W226-F230 WeakPolarHBondContact O-CB 3.44Å; W226-F230 PolarHBondContact O-N 3.18Å; L227-F230 PolarHBondContact O-N 3.5Å; K228-F230 VanDerWaalsContact C-N 3.32Å; K228-F230 PolarHBondContact O-N 2.69Å; F230-A233 PolarHBondContact O-N 3.47Å; F230-S234 PolarHBondContact O-N 3.04Å; F230-S234 PolarHBondContact O-OG 3.17Å
231	M	80.7	Confident	65	Low	123 Å²	123	119.1 Å²	119.1	61%	0.606	62%	0.616	S	S	*	*	H	α-helix	trans	-62.8	-46.3	175.6	-68.8	-178.7	68.6	0	0	112	L227 K228 A233 S234 D235	L227-M231 WeakPolarHBondContact O-CG 3.32Å; L227-M231 PolarHBondContact O-N 3.4Å; K228-M231 PolarHBondContact O-N 3.06Å; M231-A233 PolarHBondContact O-N 3.39Å; M231-S234 WeakPolarHBondContact CA-OG 3.26Å; M231-S234 PolarHBondContact O-N 3.23Å; M231-S234 VanDerWaalsContact O-N 3.1Å; M231-S234 PolarHBondContact O-OG 3.17Å; M231-D235 PolarHBondContact O-N 2.89Å
232	Q	74.4	Confident	65.1	Low	117 Å²	117	120.3 Å²	120.3	55%	0.547	62%	0.621	S	S	.	*	H	α-helix	trans	-59.8	-31.2	177.9	-161.5	85	64.2	0	0	112.4	K228	K228-Q232 VanDerWaalsContact O-CB 3.26Å; K228-Q232 WeakPolarHBondContact O-CB 3.39Å; K228-Q232 PolarHBondContact O-N 2.87Å
233	A	69.9	Low	64.5	Low	58 Å²	58	125 Å²	125	48%	0.479	63%	0.632	S	S	.	*	H	α-helix	trans	-75	-34.3	176.5	0	0	0	0	0	113.1	L229 F230 M231 M236	L229-A233 WeakPolarHBondContact O-CB 3.44Å; L229-A233 PolarHBondContact O-N 3.12Å; L229-A233 VanDerWaalsContact O-N 3.08Å; F230-A233 PolarHBondContact O-N 3.47Å; M231-A233 PolarHBondContact O-N 3.39Å; A233-M236 PolarHBondContact O-N 2.95Å
234	S	62.8	Low	63.3	Low	65 Å²	65	128.9 Å²	128.9	46%	0.455	67%	0.673	S	S	.	*	H	α-helix	trans	-68.9	-35.6	176.9	34.7	0	0	0	0	113.6	F230 M231 M236 Q237	F230-S234 PolarHBondContact O-N 3.04Å; F230-S234 PolarHBondContact O-OG 3.17Å; M231-S234 WeakPolarHBondContact CA-OG 3.26Å; M231-S234 PolarHBondContact O-N 3.23Å; M231-S234 VanDerWaalsContact O-N 3.1Å; M231-S234 PolarHBondContact O-OG 3.17Å; S234-M236 PolarHBondContact O-N 2.75Å; S234-Q237 PolarHBondContact O-N 2.81Å
235	D	58.7	Low	62.8	Low	120 Å²	120	130.4 Å²	130.4	64%	0.642	68%	0.68	S	S	*	*	H	α-helix	trans	-65.2	-22.2	178.4	-75.3	-40.8	0	0	0	113.1	M231 Q237	M231-D235 PolarHBondContact O-N 2.89Å; D235-Q237 PolarHBondContact O-N 2.98Å
236	M	54.6	Low	61.9	Low	146 Å²	146	130.7 Å²	130.7	72%	0.719	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-5.5	179.5	-68.2	-97.2	63.9	0	0	114.3	A233 S234	A233-M236 PolarHBondContact O-N 2.95Å; S234-M236 PolarHBondContact O-N 2.75Å
237	Q	54	Low	61	Low	169 Å²	169	130.3 Å²	130.3	79%	0.79	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-1.7	-179.9	-64.6	-170.1	-109.4	0	0	114.2	S234 D235	S234-Q237 PolarHBondContact O-N 2.81Å; D235-Q237 PolarHBondContact O-N 2.98Å
238	N	43.9	Very low	60.1	Low	153 Å²	153	131.8 Å²	131.8	82%	0.818	71%	0.705	S	S	*	*			trans	-105.9	99.5	168.1	-91.5	-20.2	0	0	0	110.6
239	S	45.2	Very low	59	Low	99 Å²	99	131.1 Å²	131.1	69%	0.692	71%	0.71	S	S	*	*			trans	-141.4	135.3	159.5	-77.4	0	0	0	0	108.6
240	P	47	Very low	57.7	Low	112 Å²	112	134.2 Å²	134.2	73%	0.727	73%	0.728	S	S	*	*			trans	-75	151.1	-162.5	29.7	-36.1	0	0	0	112.8	I242	P240-I242 PolarHBondContact O-N 3.38Å
241	Q	43.7	Very low	56.4	Low	167 Å²	167	132.5 Å²	132.5	78%	0.78	73%	0.73	S	S	*	*			trans	-63	129.3	160	-74	-167.2	1	0	0	109.5
242	I	56.1	Low	54.6	Low	148 Å²	148	133.2 Å²	133.2	76%	0.759	74%	0.74	S	S	*	*			trans	-106.8	115.4	158.2	-59.8	-61.1	0	0	0	106.4	P240	P240-I242 PolarHBondContact O-N 3.38Å
243	Y	47.8	Very low	52.9	Low	210 Å²	210	134.6 Å²	134.6	82%	0.824	76%	0.756	S	S	*	*			trans	-80.1	129.7	172.1	-117.2	-96.5	0	0	0	109.2
244	A	51.4	Low	51.4	Low	168 Å²	168	141.5 Å²	141.5	100%	1.388	78%	0.781	S	S	*	*			trans	-153.2	0	167.6	0	0	0	0	0	108.9

Retrieved 244 of 244 residues in 91.3 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).