14334_ARATH Loading...

14-3-3-like protein GF14 phi

Is associated with a DNA binding complex that binds to the G box, a well-characterized cis-acting DNA regulatory element found in plant genes.

AlphaFold DB , UniProt , Accession P46077, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene GRF4, Length 267 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	46.6	Very low	63	Low	246 Å²	246	99.8 Å²	99.8	100%	1.212	67%	0.666	S	S	*	*				0	113.7	0	-75.5	168.5	121.2	0	0	106.5	A3	M1-A3 PolarHBondContact O-N 3Å
2	A	47	Very low	65.5	Low	101 Å²	101	101.3 Å²	101.3	84%	0.835	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-64.9	132.3	169.4	0	0	0	0	0	107.3
3	A	48.6	Very low	67.8	Low	87 Å²	87	100.6 Å²	100.6	72%	0.719	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-56.5	140.2	171.7	0	0	0	0	0	108.4	M1	M1-A3 PolarHBondContact O-N 3Å
4	P	46.4	Very low	69.9	Low	114 Å²	114	96.9 Å²	96.9	74%	0.74	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-56.4	142.3	174.2	24.5	-30.5	0	0	0	108.4	A6	P4-A6 PolarHBondContact O-N 2.87Å
5	P	53.8	Low	71.8	Confident	121 Å²	121	91.5 Å²	91.5	79%	0.786	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-52.7	132.8	177.9	22	-30.8	0	0	0	108.1	S7	P5-S7 PolarHBondContact O-N 3.13Å; P5-S7 VanDerWaalsContact O-N 3.09Å
6	A	55.6	Low	73.4	Confident	98 Å²	98	95.1 Å²	95.1	81%	0.81	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-48.6	123.2	175.4	0	0	0	0	0	107.5	P4 S8	P4-A6 PolarHBondContact O-N 2.87Å; A6-S8 PolarHBondContact O-N 3.39Å; A6-S8 VanDerWaalsContact O-N 3.13Å
7	S	59.4	Low	74.9	Confident	112 Å²	112	93.2 Å²	93.2	78%	0.783	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-55.7	123.4	177	54	0	0	0	0	107.5	P5	P5-S7 PolarHBondContact O-N 3.13Å; P5-S7 VanDerWaalsContact O-N 3.09Å
8	S	67.8	Low	76.2	Confident	53 Å²	53	88 Å²	88	37%	0.371	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-49.2	142.4	172	36.9	0	0	0	0	109.6	A6 E12 E13	A6-S8 PolarHBondContact O-N 3.39Å; A6-S8 VanDerWaalsContact O-N 3.13Å; S8-E12 VanDerWaalsContact CA-OE2 3.32Å; S8-E12 WeakPolarHBondContact CA-OE2 3.32Å; S8-E13 VanDerWaalsContact OG-CG 3.23Å; S8-E13 WeakPolarHBondContact OG-CG 3.04Å; S8-E13 PolarHBondContact OG-OE1 3.36Å; S8-E13 VanDerWaalsContact OG-OE1 3.06Å
9	S	86.8	Confident	77.3	Confident	57 Å²	57	86.4 Å²	86.4	40%	0.399	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-62.3	152	172.6	69.3	0	0	0	0	109.6	R11 E12 E13	S9-R11 PolarHBondContact O-N 3.47Å; S9-R11 VanDerWaalsContact O-N 3.1Å; S9-E12 PolarHBondContact N-OE2 2.9Å; S9-E12 WeakPolarHBondContact O-CB 3.49Å; S9-E12 PolarHBondContact O-N 3.37Å; S9-E12 WeakPolarHBondContact OG-CG 3.33Å; S9-E12 PolarHBondContact OG-N 2.99Å; S9-E12 PolarHBondContact OG-OE2 3.4Å; S9-E13 PolarHBondContact O-N 2.77Å; S9-E13 VanDerWaalsContact O-N 3.08Å
10	A	89	Confident	78.4	Confident	57 Å²	57	85.7 Å²	85.7	47%	0.471	51%	0.508	S	S	.	.	H	α-helix	trans	-55.2	-32.3	177.2	0	0	0	0	0	112.3	E13 F14	A10-E13 PolarHBondContact O-N 2.89Å; A10-F14 HydrophobicContact CB-CE2 4.26Å; A10-F14 WeakPolarHBondContact O-CD2 3.27Å; A10-F14 WeakPolarHBondContact O-CG 3.42Å; A10-F14 PolarHBondContact O-N 2.8Å
11	R	92	Very high	79.3	Confident	52 Å²	52	82 Å²	82	20%	0.196	49%	0.486	C	S	.	.	H	α-helix	trans	-61.4	-49.1	173.6	-177.5	-179.9	173.4	169.8	1.3	111.7	S9 E13 F14 V15 V37 A40 V41 E45 E50	S9-R11 PolarHBondContact O-N 3.47Å; S9-R11 VanDerWaalsContact O-N 3.1Å; R11-E13 VanDerWaalsContact C-N 3.3Å; R11-E13 PolarHBondContact O-N 3.07Å; R11-F14 PolarHBondContact O-N 3.45Å; R11-V15 WeakPolarHBondContact O-CG2 3.38Å; R11-V15 PolarHBondContact O-N 3.25Å; R11-V37 HydrophobicContact CG-CG1 4.16Å; R11-A40 HydrophobicContact CB-CB 4.25Å; R11-V41 VanDerWaalsContact CZ-CG2 3.45Å; R11-E45 PolarHBondContact NH2-O 3.4Å; R11-E50 IonicContact CZ-OE1 3.26Å; R11-E50 IonicContact CZ-OE2 3Å; R11-E50 IonicContact NE-OE1 2.91Å; R11-E50 PolarHBondContact NE-OE1 3.26Å; R11-E50 IonicContact NE-OE2 3.12Å; R11-E50 VanDerWaalsContact NH2-CD 3.31Å; R11-E50 IonicContact NH2-OE1 3.66Å; R11-E50 PolarHBondContact NH2-OE1 2.79Å; R11-E50 IonicContact NH2-OE2 2.66Å; R11-E50 PolarHBondContact NH2-OE2 3.5Å
12	E	93.5	Very high	81.8	Confident	117 Å²	117	73.6 Å²	73.6	55%	0.547	44%	0.444	S	S	.	.	H	α-helix	trans	-62	-37.8	177.9	-71.6	166	165.4	0	0	112	S8 S9 V15 Y16	S8-E12 VanDerWaalsContact CA-OE2 3.32Å; S8-E12 WeakPolarHBondContact CA-OE2 3.32Å; S9-E12 PolarHBondContact N-OE2 2.9Å; S9-E12 WeakPolarHBondContact O-CB 3.49Å; S9-E12 PolarHBondContact O-N 3.37Å; S9-E12 WeakPolarHBondContact OG-CG 3.33Å; S9-E12 PolarHBondContact OG-N 2.99Å; S9-E12 PolarHBondContact OG-OE2 3.4Å; E12-V15 PolarHBondContact O-N 3.04Å; E12-Y16 WeakPolarHBondContact O-CB 3.49Å; E12-Y16 PolarHBondContact O-N 3.14Å
13	E	95.3	Very high	84.2	Confident	93 Å²	93	76.2 Å²	76.2	44%	0.435	44%	0.439	S	S	.	.	H	α-helix	trans	-63.9	-44.4	175.5	-67.9	-179.3	-179.3	0	0	111.7	S8 S9 A10 R11 Y16 L17	S8-E13 VanDerWaalsContact OG-CG 3.23Å; S8-E13 WeakPolarHBondContact OG-CG 3.04Å; S8-E13 PolarHBondContact OG-OE1 3.36Å; S8-E13 VanDerWaalsContact OG-OE1 3.06Å; S9-E13 PolarHBondContact O-N 2.77Å; S9-E13 VanDerWaalsContact O-N 3.08Å; A10-E13 PolarHBondContact O-N 2.89Å; R11-E13 VanDerWaalsContact C-N 3.3Å; R11-E13 PolarHBondContact O-N 3.07Å; E13-Y16 PolarHBondContact O-N 3.19Å; E13-L17 WeakPolarHBondContact O-CG 3Å; E13-L17 PolarHBondContact O-N 3.2Å
14	F	97.1	Very high	86.5	Confident	49 Å²	49	75 Å²	75	22%	0.215	43%	0.429	C	S	.	.	H	α-helix	trans	-68.2	-37.1	177	-66.4	-49.7	0	0	0	112.8	A10 R11 Y16 L17 A18 F33 K36 V37	A10-F14 HydrophobicContact CB-CE2 4.26Å; A10-F14 WeakPolarHBondContact O-CD2 3.27Å; A10-F14 WeakPolarHBondContact O-CG 3.42Å; A10-F14 PolarHBondContact O-N 2.8Å; R11-F14 PolarHBondContact O-N 3.45Å; F14-Y16 VanDerWaalsContact C-N 3.33Å; F14-Y16 PolarHBondContact O-N 3.12Å; F14-L17 HydrophobicContact CD1-CD1 4.24Å; F14-L17 PolarHBondContact O-N 3.19Å; F14-A18 WeakPolarHBondContact O-CB 3.26Å; F14-A18 PolarHBondContact O-N 3.37Å; F14-F33 AromaticContact CD1-CD1 4Å; F14-F33 HydrophobicContact CD1-CD1 4Å; F14-K36 HydrophobicContact CD1-CB 4.23Å; F14-K36 HydrophobicContact CD1-CD 3.87Å; F14-K36 HydrophobicContact CD2-CB 3.56Å; F14-K36 HydrophobicContact CD2-CD 4.4Å; F14-K36 HydrophobicContact CE1-CB 4.37Å; F14-K36 HydrophobicContact CE1-CD 3.44Å; F14-K36 VanDerWaalsContact CE1-CD 3.44Å; F14-K36 HydrophobicContact CE2-CB 3.72Å; F14-K36 HydrophobicContact CE2-CD 4.03Å; F14-K36 HydrophobicContact CE2-CG 4.37Å; F14-K36 HydrophobicContact CG-CB 3.86Å; F14-K36 HydrophobicContact CG-CD 4.35Å; F14-K36 HydrophobicContact CZ-CB 4.15Å; F14-K36 HydrophobicContact CZ-CD 3.55Å; F14-K36 HydrophobicContact CZ-CG 4.36Å; F14-V37 HydrophobicContact CB-CG2 3.55Å
15	V	97.5	Very high	89	Confident	15 Å²	15	76.4 Å²	76.4	9%	0.091	43%	0.426	C	S	.	.	H	α-helix	trans	-61.6	-43.1	172.2	172.9	0	0	0	0	110.8	R11 E12 A18 K19 V37 E50 L53	R11-V15 WeakPolarHBondContact O-CG2 3.38Å; R11-V15 PolarHBondContact O-N 3.25Å; E12-V15 PolarHBondContact O-N 3.04Å; V15-A18 PolarHBondContact O-N 3.25Å; V15-K19 HydrophobicContact CG1-CD 4.39Å; V15-K19 WeakPolarHBondContact O-CG 3.39Å; V15-K19 PolarHBondContact O-N 3.23Å; V15-V37 HydrophobicContact CG2-CG1 3.98Å; V15-V37 HydrophobicContact CG2-CG2 3.63Å; V15-E50 HydrophobicContact CG2-CG 3.81Å; V15-L53 HydrophobicContact CG1-CD1 4.1Å
16	Y	97.8	Very high	91.1	Very high	149 Å²	149	77.1 Å²	77.1	58%	0.584	41%	0.412	S	S	*	.	H	α-helix	trans	-63.2	-44.2	176.6	-179.8	-110.7	0	0	0	112	E12 E13 F14 A18 K19 L20	E12-Y16 WeakPolarHBondContact O-CB 3.49Å; E12-Y16 PolarHBondContact O-N 3.14Å; E13-Y16 PolarHBondContact O-N 3.19Å; F14-Y16 VanDerWaalsContact C-N 3.33Å; F14-Y16 PolarHBondContact O-N 3.12Å; Y16-A18 VanDerWaalsContact C-N 3.34Å; Y16-A18 PolarHBondContact O-N 2.95Å; Y16-K19 PolarHBondContact O-N 3.46Å; Y16-L20 HydrophobicContact CD1-CD1 4.06Å; Y16-L20 HydrophobicContact CE1-CD1 3.53Å; Y16-L20 HydrophobicContact CE1-CG 4.15Å; Y16-L20 HydrophobicContact CE2-CD2 4.5Å; Y16-L20 HydrophobicContact CE2-CG 4.48Å; Y16-L20 WeakPolarHBondContact O-CG 3.29Å; Y16-L20 PolarHBondContact O-N 3.41Å
17	L	98.2	Very high	93.1	Very high	63 Å²	63	74.7 Å²	74.7	33%	0.33	38%	0.383	S	S	.	.	H	α-helix	trans	-63.5	-38.4	175.9	-71.9	170.5	0	0	0	112.3	E13 F14 K19 L20 A21 F33	E13-L17 WeakPolarHBondContact O-CG 3Å; E13-L17 PolarHBondContact O-N 3.2Å; F14-L17 HydrophobicContact CD1-CD1 4.24Å; F14-L17 PolarHBondContact O-N 3.19Å; L17-K19 PolarHBondContact O-N 3.16Å; L17-L20 PolarHBondContact O-N 3.49Å; L17-A21 WeakPolarHBondContact O-CB 3.34Å; L17-A21 PolarHBondContact O-N 3.49Å; L17-F33 HydrophobicContact CB-CD1 3.91Å; L17-F33 HydrophobicContact CB-CD2 3.71Å; L17-F33 HydrophobicContact CB-CE1 3.97Å; L17-F33 HydrophobicContact CB-CE2 3.77Å; L17-F33 HydrophobicContact CB-CG 3.8Å; L17-F33 HydrophobicContact CB-CZ 3.9Å; L17-F33 HydrophobicContact CD1-CD1 4.08Å; L17-F33 HydrophobicContact CD1-CE1 3.76Å; L17-F33 HydrophobicContact CD1-CZ 4.21Å; L17-F33 HydrophobicContact CG-CE1 4.4Å; L17-F33 HydrophobicContact CG-CZ 4.45Å
18	A	98.4	Very high	94.9	Very high	0 Å²	0	74 Å²	74	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-61.4	-42.6	174	0	0	0	0	0	111.7	F14 V15 Y16 L20 A21 E22 M30 F33 M34	F14-A18 WeakPolarHBondContact O-CB 3.26Å; F14-A18 PolarHBondContact O-N 3.37Å; V15-A18 PolarHBondContact O-N 3.25Å; Y16-A18 VanDerWaalsContact C-N 3.34Å; Y16-A18 PolarHBondContact O-N 2.95Å; A18-L20 VanDerWaalsContact C-N 3.34Å; A18-L20 PolarHBondContact O-N 3.42Å; A18-A21 PolarHBondContact O-N 3.14Å; A18-E22 WeakPolarHBondContact O-CB 3.39Å; A18-E22 PolarHBondContact O-N 2.93Å; A18-M30 HydrophobicContact CB-CG 4.16Å; A18-F33 HydrophobicContact CB-CB 4.02Å; A18-M34 HydrophobicContact CB-CG 3.91Å; A18-M34 HydrophobicContact CB-SD 3.51Å; A18-M34 VanDerWaalsContact CB-SD 3.51Å
19	K	98.4	Very high	96.4	Very high	57 Å²	57	74.1 Å²	74.1	25%	0.248	36%	0.362	C	S	.	.	H	α-helix	trans	-64.8	-34.9	175.2	-70.3	174.3	178	-178.1	0	113	V15 Y16 L17 Q23 E49 L53	V15-K19 HydrophobicContact CG1-CD 4.39Å; V15-K19 WeakPolarHBondContact O-CG 3.39Å; V15-K19 PolarHBondContact O-N 3.23Å; Y16-K19 PolarHBondContact O-N 3.46Å; L17-K19 PolarHBondContact O-N 3.16Å; K19-Q23 WeakPolarHBondContact O-CG 3.15Å; K19-Q23 PolarHBondContact O-N 3.42Å; K19-Q23 PolarHBondContact O-NE2 3.35Å; K19-Q23 VanDerWaalsContact O-NE2 3.14Å; K19-E49 WeakPolarHBondContact CE-OE1 3.5Å; K19-E49 IonicContact NZ-OE1 3.36Å; K19-E49 PolarHBondContact NZ-OE1 3.06Å; K19-E49 IonicContact NZ-OE2 3.4Å; K19-E49 PolarHBondContact NZ-OE2 3.48Å; K19-L53 HydrophobicContact CG-CD1 4.06Å; K19-L53 HydrophobicContact CG-CD2 4.22Å
20	L	98.5	Very high	96.9	Very high	73 Å²	73	71.4 Å²	71.4	38%	0.382	34%	0.343	S	S	.	.	H	α-helix	trans	-69.9	-41	173.1	-68.7	-179.1	0	0	0	111.5	Y16 L17 A18 Q23 A24	Y16-L20 HydrophobicContact CD1-CD1 4.06Å; Y16-L20 HydrophobicContact CE1-CD1 3.53Å; Y16-L20 HydrophobicContact CE1-CG 4.15Å; Y16-L20 HydrophobicContact CE2-CD2 4.5Å; Y16-L20 HydrophobicContact CE2-CG 4.48Å; Y16-L20 WeakPolarHBondContact O-CG 3.29Å; Y16-L20 PolarHBondContact O-N 3.41Å; L17-L20 PolarHBondContact O-N 3.49Å; A18-L20 VanDerWaalsContact C-N 3.34Å; A18-L20 PolarHBondContact O-N 3.42Å; L20-Q23 PolarHBondContact O-N 3.35Å; L20-A24 WeakPolarHBondContact O-CB 3.41Å; L20-A24 PolarHBondContact O-N 2.81Å
21	A	98.4	Very high	97.3	Very high	7 Å²	7	69.3 Å²	69.3	6%	0.058	32%	0.324	C	S	.	.	H	α-helix	trans	-64.3	-41.3	177.1	0	0	0	0	0	111.6	L17 A18 A24 E25 R26 M30 F33	L17-A21 WeakPolarHBondContact O-CB 3.34Å; L17-A21 PolarHBondContact O-N 3.49Å; A18-A21 PolarHBondContact O-N 3.14Å; A21-A24 CarbonylContact O-C 3.6Å; A21-A24 PolarHBondContact O-N 2.89Å; A21-E25 PolarHBondContact O-N 3.46Å; A21-R26 HydrophobicContact CB-CB 4.3Å; A21-R26 PolarHBondContact O-N 2.85Å; A21-M30 HydrophobicContact CB-CB 3.86Å; A21-M30 HydrophobicContact CB-CG 4.38Å; A21-F33 HydrophobicContact CB-CD2 4.18Å; A21-F33 HydrophobicContact CB-CE2 4.16Å
22	E	97.9	Very high	97.6	Very high	70 Å²	70	71.7 Å²	71.7	33%	0.327	34%	0.338	S	S	.	.	H	α-helix	trans	-56.9	-51.4	173.1	-174.5	-175.1	-167.3	0	0	111.6	A18 A24 E25 M30 L53 V56	A18-E22 WeakPolarHBondContact O-CB 3.39Å; A18-E22 PolarHBondContact O-N 2.93Å; E22-A24 PolarHBondContact O-N 2.86Å; E22-E25 PolarHBondContact O-N 3.12Å; E22-M30 HydrophobicContact CB-CE 3.84Å; E22-M30 HydrophobicContact CB-SD 3.85Å; E22-M30 HydrophobicContact CG-CE 4.13Å; E22-M30 HydrophobicContact CG-SD 4.3Å; E22-L53 WeakPolarHBondContact OE2-CD2 3.39Å; E22-V56 HydrophobicContact CG-CG1 4.49Å
23	Q	97.7	Very high	97.9	Very high	157 Å²	157	67.9 Å²	67.9	73%	0.734	32%	0.319	S	S	*	.	H	α-helix	trans	-63.4	-25.7	178.6	-74.9	172.9	67.1	0	0	113.5	K19 L20	K19-Q23 WeakPolarHBondContact O-CG 3.15Å; K19-Q23 PolarHBondContact O-N 3.42Å; K19-Q23 PolarHBondContact O-NE2 3.35Å; K19-Q23 VanDerWaalsContact O-NE2 3.14Å; L20-Q23 PolarHBondContact O-N 3.35Å
24	A	97.8	Very high	98	Very high	60 Å²	60	63.5 Å²	63.5	50%	0.496	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	3.6	176.1	0	0	0	0	0	113.1	L20 A21 E22 R26	L20-A24 WeakPolarHBondContact O-CB 3.41Å; L20-A24 PolarHBondContact O-N 2.81Å; A21-A24 CarbonylContact O-C 3.6Å; A21-A24 PolarHBondContact O-N 2.89Å; E22-A24 PolarHBondContact O-N 2.86Å; A24-R26 HydrophobicContact CB-CB 4.49Å; A24-R26 HydrophobicContact CB-CG 3.91Å; A24-R26 WeakPolarHBondContact O-CG 3.28Å; A24-R26 PolarHBondContact O-N 2.86Å
25	E	97.4	Very high	97.9	Very high	145 Å²	145	64.2 Å²	64.2	68%	0.678	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	31.6	-174.7	-58.3	-176.9	-166.4	0	0	113.5	A21 E22 Y27	A21-E25 PolarHBondContact O-N 3.46Å; E22-E25 PolarHBondContact O-N 3.12Å; E25-Y27 HydrophobicContact CB-CE2 3.88Å; E25-Y27 HydrophobicContact CG-CE2 4.42Å; E25-Y27 WeakPolarHBondContact O-CD2 3.26Å; E25-Y27 PolarHBondContact O-N 2.94Å
26	R	98.2	Very high	97.9	Very high	135 Å²	135	67.1 Å²	67.1	51%	0.509	31%	0.314	S	S	.	.			trans	-95.9	65.3	-179.9	-68	-162.9	72.2	103.5	7.8	110.8	A21 A24 E28 E29 M30	A21-R26 HydrophobicContact CB-CB 4.3Å; A21-R26 PolarHBondContact O-N 2.85Å; A24-R26 HydrophobicContact CB-CB 4.49Å; A24-R26 HydrophobicContact CB-CG 3.91Å; A24-R26 WeakPolarHBondContact O-CG 3.28Å; A24-R26 PolarHBondContact O-N 2.86Å; R26-E28 VanDerWaalsContact C-N 3.35Å; R26-E28 PolarHBondContact O-N 3.13Å; R26-E29 WeakPolarHBondContact CB-OE2 3.46Å; R26-E29 IonicContact CZ-OE1 2.95Å; R26-E29 IonicContact CZ-OE2 2.98Å; R26-E29 IonicContact NE-OE1 3.32Å; R26-E29 PolarHBondContact NE-OE1 3.03Å; R26-E29 IonicContact NE-OE2 2.65Å; R26-E29 PolarHBondContact NE-OE2 3.04Å; R26-E29 IonicContact NH2-OE1 3.56Å; R26-E29 PolarHBondContact NH2-OE1 3.47Å; R26-E29 IonicContact NH2-OE2 3.1Å; R26-E29 PolarHBondContact NH2-OE2 3.45Å; R26-E29 VanDerWaalsContact NH2-OE2 3.09Å; R26-E29 PolarHBondContact O-N 3.34Å; R26-M30 PolarHBondContact O-N 3.37Å
27	Y	98	Very high	97.7	Very high	48 Å²	48	60 Å²	60	19%	0.188	29%	0.287	C	S	.	.	H	α-helix	trans	-69	-28.6	-168.2	-57	-70.5	0	0	0	114.2	E25 M30 V31 N60 V61	E25-Y27 HydrophobicContact CB-CE2 3.88Å; E25-Y27 HydrophobicContact CG-CE2 4.42Å; E25-Y27 WeakPolarHBondContact O-CD2 3.26Å; E25-Y27 PolarHBondContact O-N 2.94Å; Y27-M30 HydrophobicContact CD1-SD 4.02Å; Y27-M30 WeakPolarHBondContact O-CB 3.33Å; Y27-M30 PolarHBondContact O-N 3.41Å; Y27-V31 WeakPolarHBondContact O-CG2 3.42Å; Y27-V31 PolarHBondContact O-N 2.93Å; Y27-N60 HydrophobicContact CD1-CB 3.56Å; Y27-N60 HydrophobicContact CD2-CB 3.48Å; Y27-N60 VanDerWaalsContact CD2-CB 3.48Å; Y27-N60 HydrophobicContact CE1-CB 3.89Å; Y27-N60 WeakPolarHBondContact CE1-ND2 3.43Å; Y27-N60 HydrophobicContact CE2-CB 3.81Å; Y27-N60 HydrophobicContact CG-CB 3.33Å; Y27-N60 VanDerWaalsContact CZ-CG 3.49Å; Y27-V61 VanDerWaalsContact C-CG2 3.45Å; Y27-V61 WeakPolarHBondContact O-CG2 3.4Å
28	E	97.6	Very high	97.5	Very high	96 Å²	96	57.1 Å²	57.1	45%	0.449	27%	0.272	S	S	.	.	H	α-helix	trans	-61	-46.6	172.8	-70.2	85.9	170.2	0	0	111.6	R26 M30 V31 E32 V61	R26-E28 VanDerWaalsContact C-N 3.35Å; R26-E28 PolarHBondContact O-N 3.13Å; E28-M30 VanDerWaalsContact C-N 3.34Å; E28-V31 WeakPolarHBondContact O-CB 3.08Å; E28-V31 PolarHBondContact O-N 3.47Å; E28-E32 PolarHBondContact O-N 3.06Å; E28-V61 HydrophobicContact CG-CG2 4.3Å
29	E	98.1	Very high	97.1	Very high	56 Å²	56	62.4 Å²	62.4	26%	0.262	30%	0.296	S	S	.	.	H	α-helix	trans	-69.5	-33.6	174.8	-72.2	120.1	136.9	0	0	112.2	R26 V31 E32 F33	R26-E29 WeakPolarHBondContact CB-OE2 3.46Å; R26-E29 IonicContact CZ-OE1 2.95Å; R26-E29 IonicContact CZ-OE2 2.98Å; R26-E29 IonicContact NE-OE1 3.32Å; R26-E29 PolarHBondContact NE-OE1 3.03Å; R26-E29 IonicContact NE-OE2 2.65Å; R26-E29 PolarHBondContact NE-OE2 3.04Å; R26-E29 IonicContact NH2-OE1 3.56Å; R26-E29 PolarHBondContact NH2-OE1 3.47Å; R26-E29 IonicContact NH2-OE2 3.1Å; R26-E29 PolarHBondContact NH2-OE2 3.45Å; R26-E29 VanDerWaalsContact NH2-OE2 3.09Å; R26-E29 PolarHBondContact O-N 3.34Å; E29-V31 VanDerWaalsContact C-N 3.28Å; E29-V31 PolarHBondContact O-N 3.4Å; E29-E32 WeakPolarHBondContact O-CB 3.27Å; E29-E32 PolarHBondContact O-N 3.37Å; E29-F33 HydrophobicContact CB-CE2 3.93Å; E29-F33 HydrophobicContact CB-CZ 4.45Å; E29-F33 WeakPolarHBondContact O-CD2 3.24Å; E29-F33 VanDerWaalsContact O-CG 3.32Å; E29-F33 WeakPolarHBondContact O-CG 3.28Å; E29-F33 PolarHBondContact O-N 3.08Å
30	M	98.2	Very high	96.7	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58	-42.1	172.7	-164.2	-172.8	177.5	0	0	111.4	A18 A21 E22 R26 Y27 E28 F33 M34 L53 V56 A57	A18-M30 HydrophobicContact CB-CG 4.16Å; A21-M30 HydrophobicContact CB-CB 3.86Å; A21-M30 HydrophobicContact CB-CG 4.38Å; E22-M30 HydrophobicContact CB-CE 3.84Å; E22-M30 HydrophobicContact CB-SD 3.85Å; E22-M30 HydrophobicContact CG-CE 4.13Å; E22-M30 HydrophobicContact CG-SD 4.3Å; R26-M30 PolarHBondContact O-N 3.37Å; Y27-M30 HydrophobicContact CD1-SD 4.02Å; Y27-M30 WeakPolarHBondContact O-CB 3.33Å; Y27-M30 PolarHBondContact O-N 3.41Å; E28-M30 VanDerWaalsContact C-N 3.34Å; M30-F33 PolarHBondContact O-N 2.83Å; M30-M34 WeakPolarHBondContact O-CB 3.32Å; M30-M34 VanDerWaalsContact O-CG 3.3Å; M30-M34 WeakPolarHBondContact O-CG 3.48Å; M30-M34 PolarHBondContact O-N 2.86Å; M30-L53 HydrophobicContact CE-CB 4.01Å; M30-L53 HydrophobicContact CE-CD2 3.55Å; M30-L53 HydrophobicContact CE-CG 4.4Å; M30-L53 VanDerWaalsContact CE-O 3.28Å; M30-L53 WeakPolarHBondContact CE-O 3.23Å; M30-V56 HydrophobicContact CE-CB 4.26Å; M30-V56 HydrophobicContact CE-CG1 4.09Å; M30-V56 HydrophobicContact SD-CG1 4.33Å; M30-A57 HydrophobicContact CB-CB 3.91Å; M30-A57 HydrophobicContact CE-CB 4.2Å; M30-A57 HydrophobicContact CG-CB 3.6Å; M30-A57 HydrophobicContact SD-CB 3.62Å
31	V	98.3	Very high	95.9	Very high	14 Å²	14	59 Å²	59	9%	0.085	29%	0.288	C	S	.	.	H	α-helix	trans	-60.6	-48.4	173.5	167.2	0	0	0	0	110.7	Y27 E28 E29 F33 M34 E35 A57 Y58 V61	Y27-V31 WeakPolarHBondContact O-CG2 3.42Å; Y27-V31 PolarHBondContact O-N 2.93Å; E28-V31 WeakPolarHBondContact O-CB 3.08Å; E28-V31 PolarHBondContact O-N 3.47Å; E29-V31 VanDerWaalsContact C-N 3.28Å; E29-V31 PolarHBondContact O-N 3.4Å; V31-F33 VanDerWaalsContact C-N 3.28Å; V31-F33 PolarHBondContact O-N 2.95Å; V31-M34 PolarHBondContact O-N 3.27Å; V31-E35 HydrophobicContact CG1-CG 4.23Å; V31-E35 WeakPolarHBondContact O-CB 3.25Å; V31-E35 WeakPolarHBondContact O-CG 3.29Å; V31-E35 PolarHBondContact O-N 2.92Å; V31-A57 HydrophobicContact CG2-CB 3.74Å; V31-Y58 HydrophobicContact CB-CE2 4.48Å; V31-Y58 HydrophobicContact CG1-CD1 4.38Å; V31-Y58 HydrophobicContact CG1-CD2 4.26Å; V31-Y58 HydrophobicContact CG1-CE1 3.83Å; V31-Y58 HydrophobicContact CG1-CE2 3.69Å; V31-Y58 VanDerWaalsContact CG1-CZ 3.49Å; V31-Y58 HydrophobicContact CG2-CD1 4.18Å; V31-Y58 HydrophobicContact CG2-CD2 3.98Å; V31-Y58 HydrophobicContact CG2-CE1 4.45Å; V31-Y58 HydrophobicContact CG2-CE2 4.27Å; V31-Y58 HydrophobicContact CG2-CG 3.96Å; V31-V61 HydrophobicContact CG2-CB 4.49Å; V31-V61 HydrophobicContact CG2-CG2 3.87Å
32	E	98.1	Very high	94.8	Very high	102 Å²	102	66 Å²	66	48%	0.477	32%	0.324	S	S	.	.	H	α-helix	trans	-59.1	-37.9	178.9	-66.8	-178.9	-168.9	0	0	112.9	E28 E29 K36	E28-E32 PolarHBondContact O-N 3.06Å; E29-E32 WeakPolarHBondContact O-CB 3.27Å; E29-E32 PolarHBondContact O-N 3.37Å; E32-K36 WeakPolarHBondContact O-CG 3.48Å; E32-K36 PolarHBondContact O-N 3.29Å
33	F	98.2	Very high	93.5	Very high	37 Å²	37	71.7 Å²	71.7	16%	0.162	35%	0.348	C	S	.	.	H	α-helix	trans	-70.8	-44.1	175.8	-61.3	-45.5	0	0	0	111.5	F14 L17 A18 A21 E29 M30 V31 E35 K36 V37	F14-F33 AromaticContact CD1-CD1 4Å; F14-F33 HydrophobicContact CD1-CD1 4Å; L17-F33 HydrophobicContact CB-CD1 3.91Å; L17-F33 HydrophobicContact CB-CD2 3.71Å; L17-F33 HydrophobicContact CB-CE1 3.97Å; L17-F33 HydrophobicContact CB-CE2 3.77Å; L17-F33 HydrophobicContact CB-CG 3.8Å; L17-F33 HydrophobicContact CB-CZ 3.9Å; L17-F33 HydrophobicContact CD1-CD1 4.08Å; L17-F33 HydrophobicContact CD1-CE1 3.76Å; L17-F33 HydrophobicContact CD1-CZ 4.21Å; L17-F33 HydrophobicContact CG-CE1 4.4Å; L17-F33 HydrophobicContact CG-CZ 4.45Å; A18-F33 HydrophobicContact CB-CB 4.02Å; A21-F33 HydrophobicContact CB-CD2 4.18Å; A21-F33 HydrophobicContact CB-CE2 4.16Å; E29-F33 HydrophobicContact CB-CE2 3.93Å; E29-F33 HydrophobicContact CB-CZ 4.45Å; E29-F33 WeakPolarHBondContact O-CD2 3.24Å; E29-F33 VanDerWaalsContact O-CG 3.32Å; E29-F33 WeakPolarHBondContact O-CG 3.28Å; E29-F33 PolarHBondContact O-N 3.08Å; M30-F33 PolarHBondContact O-N 2.83Å; V31-F33 VanDerWaalsContact C-N 3.28Å; V31-F33 PolarHBondContact O-N 2.95Å; F33-E35 PolarHBondContact O-N 3.01Å; F33-K36 WeakPolarHBondContact O-CB 3.47Å; F33-K36 PolarHBondContact O-N 3.19Å; F33-K36 VanDerWaalsContact O-N 3.15Å; F33-V37 WeakPolarHBondContact O-CG2 3.4Å; F33-V37 PolarHBondContact O-N 3.35Å
34	M	97.8	Very high	92.7	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-70.3	-30.1	-178.7	-69.4	-52.2	-52.9	0	0	113.3	A18 M30 V31 K36 V37 A38 E50 L53 L54	A18-M34 HydrophobicContact CB-CG 3.91Å; A18-M34 HydrophobicContact CB-SD 3.51Å; A18-M34 VanDerWaalsContact CB-SD 3.51Å; M30-M34 WeakPolarHBondContact O-CB 3.32Å; M30-M34 VanDerWaalsContact O-CG 3.3Å; M30-M34 WeakPolarHBondContact O-CG 3.48Å; M30-M34 PolarHBondContact O-N 2.86Å; V31-M34 PolarHBondContact O-N 3.27Å; M34-K36 VanDerWaalsContact C-N 3.35Å; M34-V37 HydrophobicContact CE-CB 4.13Å; M34-V37 HydrophobicContact CE-CG1 4.12Å; M34-V37 HydrophobicContact CE-CG2 4.37Å; M34-V37 PolarHBondContact O-N 3.36Å; M34-V37 HydrophobicContact SD-CG2 4.18Å; M34-A38 WeakPolarHBondContact O-CB 3.33Å; M34-A38 PolarHBondContact O-N 3.33Å; M34-E50 HydrophobicContact CE-CB 4.18Å; M34-E50 WeakPolarHBondContact CE-O 3.47Å; M34-L53 HydrophobicContact CE-CB 3.91Å; M34-L53 HydrophobicContact CG-CB 4.34Å; M34-L53 HydrophobicContact SD-CB 3.72Å; M34-L53 HydrophobicContact SD-CD1 4.36Å; M34-L54 HydrophobicContact CB-CB 4.4Å; M34-L54 HydrophobicContact CB-CD1 3.63Å; M34-L54 HydrophobicContact CE-CB 4.04Å
35	E	96.4	Very high	92.4	Very high	64 Å²	64	69.2 Å²	69.2	30%	0.299	33%	0.33	S	S	.	.	H	α-helix	trans	-60.9	-44.2	168.3	-75.6	177.5	175.8	0	0	110.9	V31 F33 V37 A38 E39 Y58	V31-E35 HydrophobicContact CG1-CG 4.23Å; V31-E35 WeakPolarHBondContact O-CB 3.25Å; V31-E35 WeakPolarHBondContact O-CG 3.29Å; V31-E35 PolarHBondContact O-N 2.92Å; F33-E35 PolarHBondContact O-N 3.01Å; E35-V37 PolarHBondContact O-N 3Å; E35-A38 PolarHBondContact O-N 2.56Å; E35-E39 WeakPolarHBondContact O-CB 3.5Å; E35-E39 WeakPolarHBondContact O-CG 3.2Å; E35-E39 PolarHBondContact O-N 2.81Å; E35-Y58 HydrophobicContact CG-CE2 4.34Å; E35-Y58 PolarHBondContact OE1-OH 3.29Å
36	K	95.6	Very high	92.2	Very high	77 Å²	77	62.9 Å²	62.9	34%	0.335	30%	0.301	S	S	.	.	H	α-helix	trans	-66.3	-35.7	176.2	-66.4	169.8	-168.9	163.9	0	112.6	F14 E32 F33 M34 E39 A40	F14-K36 HydrophobicContact CD1-CB 4.23Å; F14-K36 HydrophobicContact CD1-CD 3.87Å; F14-K36 HydrophobicContact CD2-CB 3.56Å; F14-K36 HydrophobicContact CD2-CD 4.4Å; F14-K36 HydrophobicContact CE1-CB 4.37Å; F14-K36 HydrophobicContact CE1-CD 3.44Å; F14-K36 VanDerWaalsContact CE1-CD 3.44Å; F14-K36 HydrophobicContact CE2-CB 3.72Å; F14-K36 HydrophobicContact CE2-CD 4.03Å; F14-K36 HydrophobicContact CE2-CG 4.37Å; F14-K36 HydrophobicContact CG-CB 3.86Å; F14-K36 HydrophobicContact CG-CD 4.35Å; F14-K36 HydrophobicContact CZ-CB 4.15Å; F14-K36 HydrophobicContact CZ-CD 3.55Å; F14-K36 HydrophobicContact CZ-CG 4.36Å; E32-K36 WeakPolarHBondContact O-CG 3.48Å; E32-K36 PolarHBondContact O-N 3.29Å; F33-K36 WeakPolarHBondContact O-CB 3.47Å; F33-K36 PolarHBondContact O-N 3.19Å; F33-K36 VanDerWaalsContact O-N 3.15Å; M34-K36 VanDerWaalsContact C-N 3.35Å; K36-E39 PolarHBondContact O-N 2.93Å; K36-A40 VanDerWaalsContact O-CB 3.32Å; K36-A40 WeakPolarHBondContact O-CB 3.1Å; K36-A40 PolarHBondContact O-N 3.36Å
37	V	95.6	Very high	92	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.2	-51.9	171.5	172.9	0	0	0	0	109.7	R11 F14 V15 F33 M34 E35 E39 A40 V41 L46 E50	R11-V37 HydrophobicContact CG-CG1 4.16Å; F14-V37 HydrophobicContact CB-CG2 3.55Å; V15-V37 HydrophobicContact CG2-CG1 3.98Å; V15-V37 HydrophobicContact CG2-CG2 3.63Å; F33-V37 WeakPolarHBondContact O-CG2 3.4Å; F33-V37 PolarHBondContact O-N 3.35Å; M34-V37 HydrophobicContact CE-CB 4.13Å; M34-V37 HydrophobicContact CE-CG1 4.12Å; M34-V37 HydrophobicContact CE-CG2 4.37Å; M34-V37 PolarHBondContact O-N 3.36Å; M34-V37 HydrophobicContact SD-CG2 4.18Å; E35-V37 PolarHBondContact O-N 3Å; V37-E39 VanDerWaalsContact C-N 3.29Å; V37-E39 PolarHBondContact O-N 3.37Å; V37-A40 PolarHBondContact O-N 3.5Å; V37-V41 WeakPolarHBondContact O-CG2 3.13Å; V37-V41 PolarHBondContact O-N 2.94Å; V37-L46 HydrophobicContact CG1-CD2 3.86Å; V37-E50 HydrophobicContact CG1-CB 4.44Å; V37-E50 HydrophobicContact CG1-CG 4.19Å
38	A	93.6	Very high	91.7	Very high	2 Å²	2	61.8 Å²	61.8	2%	0.017	31%	0.314	C	S	.	.	H	α-helix	trans	-65.3	-30.1	-179.9	0	0	0	0	0	113.2	M34 E35 L112 R116 L117	M34-A38 WeakPolarHBondContact O-CB 3.33Å; M34-A38 PolarHBondContact O-N 3.33Å; E35-A38 PolarHBondContact O-N 2.56Å; A38-L112 HydrophobicContact CB-CD1 3.76Å; A38-L112 HydrophobicContact CB-CD2 3.74Å; A38-L112 HydrophobicContact CB-CG 4.15Å; A38-R116 WeakPolarHBondContact O-CD 3.44Å; A38-L117 HydrophobicContact CB-CD2 4.23Å
39	E	90.3	Very high	91.6	Very high	111 Å²	111	62.3 Å²	62.3	52%	0.519	32%	0.317	S	S	.	.	H	α-helix	trans	-73.3	-32.1	173.6	-75.8	-178.6	168.9	0	0	113.7	E35 K36 V37 V41 R116	E35-E39 WeakPolarHBondContact O-CB 3.5Å; E35-E39 WeakPolarHBondContact O-CG 3.2Å; E35-E39 PolarHBondContact O-N 2.81Å; K36-E39 PolarHBondContact O-N 2.93Å; V37-E39 VanDerWaalsContact C-N 3.29Å; V37-E39 PolarHBondContact O-N 3.37Å; E39-V41 VanDerWaalsContact C-N 3.26Å; E39-V41 PolarHBondContact O-N 2.94Å; E39-R116 PolarHBondContact O-NH1 3.41Å
40	A	88.2	Confident	91.5	Very high	49 Å²	49	60.2 Å²	60.2	41%	0.405	31%	0.307	S	S	.	.	H	α-helix	trans	-77.4	-11.6	178	0	0	0	0	0	113.2	R11 K36 V37 D42	R11-A40 HydrophobicContact CB-CB 4.25Å; K36-A40 VanDerWaalsContact O-CB 3.32Å; K36-A40 WeakPolarHBondContact O-CB 3.1Å; K36-A40 PolarHBondContact O-N 3.36Å; V37-A40 PolarHBondContact O-N 3.5Å; A40-D42 PolarHBondContact O-N 3.35Å
41	V	82.2	Confident	91.4	Very high	10 Å²	10	60.6 Å²	60.6	6%	0.061	31%	0.308	C	S	.	.			trans	-84.1	111.5	173.6	-166.4	0	0	0	0	108.8	R11 V37 E39 D44 L46 R116	R11-V41 VanDerWaalsContact CZ-CG2 3.45Å; V37-V41 WeakPolarHBondContact O-CG2 3.13Å; V37-V41 PolarHBondContact O-N 2.94Å; E39-V41 VanDerWaalsContact C-N 3.26Å; E39-V41 PolarHBondContact O-N 2.94Å; V41-D44 HydrophobicContact CG1-CB 3.77Å; V41-D44 WeakPolarHBondContact CG1-O 2.71Å; V41-L46 HydrophobicContact CG2-CD2 3.64Å; V41-R116 PolarHBondContact O-NH1 3.31Å
42	D	74.9	Confident	91.2	Very high	152 Å²	152	62.6 Å²	62.6	81%	0.813	32%	0.318	S	S	*	.	S	Bend	trans	-68.5	-78.6	-178.1	-82.8	-29.2	0	0	0	111.5	A40	A40-D42 PolarHBondContact O-N 3.35Å
43	K	71.6	Confident	91.2	Very high	191 Å²	191	58.2 Å²	58.2	83%	0.83	30%	0.298	S	S	*	.	S	Bend	trans	-122.9	-2.5	178.7	-66.7	-173.7	179.1	-178.6	0	112.9
44	D	80.4	Confident	91.2	Very high	118 Å²	118	56.5 Å²	56.5	63%	0.631	29%	0.291	S	S	*	.	S	Bend	trans	-78.1	169.9	176.8	-62.9	-36.6	0	0	0	109.8	V41	V41-D44 HydrophobicContact CG1-CB 3.77Å; V41-D44 WeakPolarHBondContact CG1-O 2.71Å
45	E	91	Very high	91.1	Very high	46 Å²	46	56.7 Å²	56.7	22%	0.215	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-93	155.6	174.9	-163.2	166.3	-164.7	0	0	110.3	R11 S126	R11-E45 PolarHBondContact NH2-O 3.4Å; E45-S126 WeakPolarHBondContact OE1-CB 3.35Å; E45-S126 PolarHBondContact OE1-OG 3.35Å
46	L	94.2	Very high	91.1	Very high	12 Å²	12	55.8 Å²	55.8	6%	0.063	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-62.2	139.1	162	-65.9	-177.4	0	0	0	108.8	V37 V41 E50 R51 L54 L117	V37-L46 HydrophobicContact CG1-CD2 3.86Å; V41-L46 HydrophobicContact CG2-CD2 3.64Å; L46-E50 HydrophobicContact CB-CB 4.07Å; L46-E50 HydrophobicContact CD2-CB 4.09Å; L46-E50 HydrophobicContact CG-CB 4.5Å; L46-R51 HydrophobicContact CB-CB 4.39Å; L46-L54 HydrophobicContact CD1-CD2 4.04Å; L46-L117 HydrophobicContact CD1-CD2 3.67Å; L46-L117 HydrophobicContact CG-CD2 3.97Å
47	T	93.8	Very high	91.3	Very high	73 Å²	73	52.1 Å²	52.1	45%	0.448	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-62.4	160.3	166.8	62.4	0	0	0	0	109.9	E49 E50 R51	T47-E49 PolarHBondContact O-N 3.27Å; T47-E50 WeakPolarHBondContact CB-OE2 3.22Å; T47-E50 WeakPolarHBondContact CG2-OE2 3.25Å; T47-E50 PolarHBondContact N-OE2 2.66Å; T47-E50 PolarHBondContact O-N 2.97Å; T47-E50 VanDerWaalsContact O-N 3.13Å; T47-E50 VanDerWaalsContact OG1-CD 3.25Å; T47-E50 VanDerWaalsContact OG1-CG 3.26Å; T47-E50 WeakPolarHBondContact OG1-CG 3.39Å; T47-E50 PolarHBondContact OG1-N 2.84Å; T47-E50 PolarHBondContact OG1-OE2 3.02Å; T47-R51 WeakPolarHBondContact O-CB 3.08Å; T47-R51 PolarHBondContact O-N 3.49Å
48	V	92.1	Very high	91.4	Very high	88 Å²	88	52.2 Å²	52.2	53%	0.533	28%	0.276	S	S	.	.	H	α-helix	trans	-56	-38.7	176.6	178.6	0	0	0	0	111.2	N52	V48-N52 WeakPolarHBondContact O-CB 3.47Å; V48-N52 PolarHBondContact O-N 3.47Å; V48-N52 PolarHBondContact O-ND2 3.3Å; V48-N52 PolarHBondContact O-OD1 3.39Å
49	E	94.6	Very high	91.5	Very high	106 Å²	106	55.7 Å²	55.7	50%	0.495	29%	0.29	S	S	.	.	H	α-helix	trans	-63.2	-48.2	176.5	-174.4	178	-147.6	0	0	111.9	K19 T47 N52 L53	K19-E49 WeakPolarHBondContact CE-OE1 3.5Å; K19-E49 IonicContact NZ-OE1 3.36Å; K19-E49 PolarHBondContact NZ-OE1 3.06Å; K19-E49 IonicContact NZ-OE2 3.4Å; K19-E49 PolarHBondContact NZ-OE2 3.48Å; T47-E49 PolarHBondContact O-N 3.27Å; E49-N52 PolarHBondContact O-N 2.9Å; E49-L53 HydrophobicContact CG-CD1 4.29Å; E49-L53 WeakPolarHBondContact O-CG 3.48Å; E49-L53 PolarHBondContact O-N 3.21Å
50	E	95.8	Very high	91.8	Very high	13 Å²	13	53.1 Å²	53.1	6%	0.061	28%	0.28	C	S	.	.	H	α-helix	trans	-65.9	-40	179.6	-69.1	163	139.2	0	0	112.2	R11 V15 M34 V37 L46 T47 N52 L53 L54	R11-E50 IonicContact CZ-OE1 3.26Å; R11-E50 IonicContact CZ-OE2 3Å; R11-E50 IonicContact NE-OE1 2.91Å; R11-E50 PolarHBondContact NE-OE1 3.26Å; R11-E50 IonicContact NE-OE2 3.12Å; R11-E50 VanDerWaalsContact NH2-CD 3.31Å; R11-E50 IonicContact NH2-OE1 3.66Å; R11-E50 PolarHBondContact NH2-OE1 2.79Å; R11-E50 IonicContact NH2-OE2 2.66Å; R11-E50 PolarHBondContact NH2-OE2 3.5Å; V15-E50 HydrophobicContact CG2-CG 3.81Å; M34-E50 HydrophobicContact CE-CB 4.18Å; M34-E50 WeakPolarHBondContact CE-O 3.47Å; V37-E50 HydrophobicContact CG1-CB 4.44Å; V37-E50 HydrophobicContact CG1-CG 4.19Å; L46-E50 HydrophobicContact CB-CB 4.07Å; L46-E50 HydrophobicContact CD2-CB 4.09Å; L46-E50 HydrophobicContact CG-CB 4.5Å; T47-E50 WeakPolarHBondContact CB-OE2 3.22Å; T47-E50 WeakPolarHBondContact CG2-OE2 3.25Å; T47-E50 PolarHBondContact N-OE2 2.66Å; T47-E50 PolarHBondContact O-N 2.97Å; T47-E50 VanDerWaalsContact O-N 3.13Å; T47-E50 VanDerWaalsContact OG1-CD 3.25Å; T47-E50 VanDerWaalsContact OG1-CG 3.26Å; T47-E50 WeakPolarHBondContact OG1-CG 3.39Å; T47-E50 PolarHBondContact OG1-N 2.84Å; T47-E50 PolarHBondContact OG1-OE2 3.02Å; E50-N52 VanDerWaalsContact C-N 3.3Å; E50-N52 PolarHBondContact O-N 2.96Å; E50-L53 PolarHBondContact O-N 2.95Å; E50-L54 WeakPolarHBondContact O-CB 3.41Å; E50-L54 PolarHBondContact O-N 3Å
51	R	96	Very high	92.2	Very high	8 Å²	8	51.3 Å²	51.3	3%	0.03	26%	0.264	C	S	.	.	H	α-helix	trans	-58.2	-44.9	173.8	-178.5	-167.4	80.3	-175.1	9.9	111	L46 T47 L54 S55 D125 F129 Y130 I267	L46-R51 HydrophobicContact CB-CB 4.39Å; T47-R51 WeakPolarHBondContact O-CB 3.08Å; T47-R51 PolarHBondContact O-N 3.49Å; R51-L54 WeakPolarHBondContact O-CB 3.47Å; R51-L54 PolarHBondContact O-N 3.03Å; R51-S55 PolarHBondContact O-N 3.33Å; R51-D125 IonicContact CZ-OD1 2.99Å; R51-D125 IonicContact NH1-OD1 2.87Å; R51-D125 PolarHBondContact NH1-OD1 2.77Å; R51-D125 IonicContact NH2-OD1 3.96Å; R51-F129 VanDerWaalsContact CD-CD1 3.45Å; R51-F129 HydrophobicContact CG-CD1 3.62Å; R51-F129 HydrophobicContact CG-CD2 4.43Å; R51-F129 HydrophobicContact CG-CE1 3.23Å; R51-F129 HydrophobicContact CG-CE2 4.09Å; R51-F129 HydrophobicContact CG-CG 4.21Å; R51-F129 HydrophobicContact CG-CZ 3.48Å; R51-F129 VanDerWaalsContact CG-CZ 3.48Å; R51-Y130 HydrophobicContact CG-CE1 3.98Å; R51-I267 PolarHBondContact NH2-OXT 2.98Å
52	N	94.8	Very high	93	Very high	55 Å²	55	51 Å²	51	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-67.5	-41.6	179.7	-67.9	-4	0	0	0	111.3	V48 E49 E50 L54 S55 V56 I267	V48-N52 WeakPolarHBondContact O-CB 3.47Å; V48-N52 PolarHBondContact O-N 3.47Å; V48-N52 PolarHBondContact O-ND2 3.3Å; V48-N52 PolarHBondContact O-OD1 3.39Å; E49-N52 PolarHBondContact O-N 2.9Å; E50-N52 VanDerWaalsContact C-N 3.3Å; E50-N52 PolarHBondContact O-N 2.96Å; N52-L54 VanDerWaalsContact C-N 3.32Å; N52-L54 PolarHBondContact O-N 2.85Å; N52-S55 PolarHBondContact O-N 3.45Å; N52-V56 VanDerWaalsContact O-CG2 3.31Å; N52-V56 WeakPolarHBondContact O-CG2 3.43Å; N52-V56 PolarHBondContact O-N 3.41Å; N52-I267 PolarHBondContact OD1-OXT 2.93Å
53	L	97.7	Very high	94	Very high	11 Å²	11	45.2 Å²	45.2	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-59.4	-42.7	173.6	-72.1	169.4	0	0	0	111.7	V15 K19 E22 M30 M34 E49 E50 V56 A57	V15-L53 HydrophobicContact CG1-CD1 4.1Å; K19-L53 HydrophobicContact CG-CD1 4.06Å; K19-L53 HydrophobicContact CG-CD2 4.22Å; E22-L53 WeakPolarHBondContact OE2-CD2 3.39Å; M30-L53 HydrophobicContact CE-CB 4.01Å; M30-L53 HydrophobicContact CE-CD2 3.55Å; M30-L53 HydrophobicContact CE-CG 4.4Å; M30-L53 VanDerWaalsContact CE-O 3.28Å; M30-L53 WeakPolarHBondContact CE-O 3.23Å; M34-L53 HydrophobicContact CE-CB 3.91Å; M34-L53 HydrophobicContact CG-CB 4.34Å; M34-L53 HydrophobicContact SD-CB 3.72Å; M34-L53 HydrophobicContact SD-CD1 4.36Å; E49-L53 HydrophobicContact CG-CD1 4.29Å; E49-L53 WeakPolarHBondContact O-CG 3.48Å; E49-L53 PolarHBondContact O-N 3.21Å; E50-L53 PolarHBondContact O-N 2.95Å; L53-V56 PolarHBondContact O-N 2.82Å; L53-A57 WeakPolarHBondContact O-CB 3.5Å; L53-A57 PolarHBondContact O-N 3.03Å
54	L	97.8	Very high	95.2	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.1	-47	176.5	-177.9	71.6	0	0	0	111.3	M34 L46 E50 R51 N52 A57 Y58 I109 L112 L117	M34-L54 HydrophobicContact CB-CB 4.4Å; M34-L54 HydrophobicContact CB-CD1 3.63Å; M34-L54 HydrophobicContact CE-CB 4.04Å; L46-L54 HydrophobicContact CD1-CD2 4.04Å; E50-L54 WeakPolarHBondContact O-CB 3.41Å; E50-L54 PolarHBondContact O-N 3Å; R51-L54 WeakPolarHBondContact O-CB 3.47Å; R51-L54 PolarHBondContact O-N 3.03Å; N52-L54 VanDerWaalsContact C-N 3.32Å; N52-L54 PolarHBondContact O-N 2.85Å; L54-A57 PolarHBondContact O-N 3.21Å; L54-Y58 HydrophobicContact CD1-CD2 3.68Å; L54-Y58 HydrophobicContact CD1-CE2 3.61Å; L54-Y58 HydrophobicContact CG-CD2 4.2Å; L54-Y58 PolarHBondContact O-N 3.16Å; L54-Y58 VanDerWaalsContact O-N 3.12Å; L54-I109 HydrophobicContact CD2-CD1 4.27Å; L54-L112 HydrophobicContact CD1-CD2 4.24Å; L54-L112 HydrophobicContact CD2-CD2 4.36Å; L54-L117 HydrophobicContact CD2-CD1 3.53Å
55	S	96.7	Very high	96.1	Very high	5 Å²	5	36.6 Å²	36.6	4%	0.035	21%	0.205	C	C	.	.	H	α-helix	trans	-61.9	-47.2	176.3	172.2	0	0	0	0	111.8	R51 N52 A57 Y58 K59 E266	R51-S55 PolarHBondContact O-N 3.33Å; N52-S55 PolarHBondContact O-N 3.45Å; S55-A57 VanDerWaalsContact C-N 3.32Å; S55-A57 PolarHBondContact O-N 3.42Å; S55-Y58 PolarHBondContact O-N 3.02Å; S55-K59 WeakPolarHBondContact O-CB 3.38Å; S55-K59 PolarHBondContact O-N 3.37Å; S55-E266 PolarHBondContact OG-OE2 3.03Å
56	V	96.9	Very high	96.4	Very high	45 Å²	45	35.7 Å²	35.7	27%	0.273	20%	0.199	S	C	.	.	H	α-helix	trans	-57.8	-45.3	178.6	169.3	0	0	0	0	111.3	E22 M30 N52 L53 N60	E22-V56 HydrophobicContact CG-CG1 4.49Å; M30-V56 HydrophobicContact CE-CB 4.26Å; M30-V56 HydrophobicContact CE-CG1 4.09Å; M30-V56 HydrophobicContact SD-CG1 4.33Å; N52-V56 VanDerWaalsContact O-CG2 3.31Å; N52-V56 WeakPolarHBondContact O-CG2 3.43Å; N52-V56 PolarHBondContact O-N 3.41Å; L53-V56 PolarHBondContact O-N 2.82Å; V56-N60 PolarHBondContact O-N 3.45Å; V56-N60 PolarHBondContact O-ND2 3Å
57	A	98	Very high	96.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.7	-57.8	178.9	0	0	0	0	0	111.2	M30 V31 L53 L54 S55 K59 N60 V61	M30-A57 HydrophobicContact CB-CB 3.91Å; M30-A57 HydrophobicContact CE-CB 4.2Å; M30-A57 HydrophobicContact CG-CB 3.6Å; M30-A57 HydrophobicContact SD-CB 3.62Å; V31-A57 HydrophobicContact CG2-CB 3.74Å; L53-A57 WeakPolarHBondContact O-CB 3.5Å; L53-A57 PolarHBondContact O-N 3.03Å; L54-A57 PolarHBondContact O-N 3.21Å; S55-A57 VanDerWaalsContact C-N 3.32Å; S55-A57 PolarHBondContact O-N 3.42Å; A57-K59 PolarHBondContact O-N 3.25Å; A57-N60 PolarHBondContact O-N 3.2Å; A57-V61 WeakPolarHBondContact O-CG2 3.43Å; A57-V61 PolarHBondContact O-N 3.06Å
58	Y	98.4	Very high	96.8	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-68.6	-33.6	-174.8	-92.7	-79.3	0	0	0	112.9	V31 E35 L54 S55 I62 I105 I109 Y137	V31-Y58 HydrophobicContact CB-CE2 4.48Å; V31-Y58 HydrophobicContact CG1-CD1 4.38Å; V31-Y58 HydrophobicContact CG1-CD2 4.26Å; V31-Y58 HydrophobicContact CG1-CE1 3.83Å; V31-Y58 HydrophobicContact CG1-CE2 3.69Å; V31-Y58 VanDerWaalsContact CG1-CZ 3.49Å; V31-Y58 HydrophobicContact CG2-CD1 4.18Å; V31-Y58 HydrophobicContact CG2-CD2 3.98Å; V31-Y58 HydrophobicContact CG2-CE1 4.45Å; V31-Y58 HydrophobicContact CG2-CE2 4.27Å; V31-Y58 HydrophobicContact CG2-CG 3.96Å; E35-Y58 HydrophobicContact CG-CE2 4.34Å; E35-Y58 PolarHBondContact OE1-OH 3.29Å; L54-Y58 HydrophobicContact CD1-CD2 3.68Å; L54-Y58 HydrophobicContact CD1-CE2 3.61Å; L54-Y58 HydrophobicContact CG-CD2 4.2Å; L54-Y58 PolarHBondContact O-N 3.16Å; L54-Y58 VanDerWaalsContact O-N 3.12Å; S55-Y58 PolarHBondContact O-N 3.02Å; Y58-I62 WeakPolarHBondContact O-CB 3.45Å; Y58-I62 WeakPolarHBondContact O-CG2 3.24Å; Y58-I62 PolarHBondContact O-N 3.29Å; Y58-I105 HydrophobicContact CD1-CG2 4.04Å; Y58-I105 HydrophobicContact CE1-CG2 4.29Å; Y58-I109 HydrophobicContact CD1-CB 3.91Å; Y58-I109 HydrophobicContact CD1-CG1 4.46Å; Y58-I109 HydrophobicContact CD1-CG2 4.31Å; Y58-I109 HydrophobicContact CD2-CD1 4.02Å; Y58-I109 HydrophobicContact CE1-CB 3.58Å; Y58-I109 HydrophobicContact CE1-CG1 4.44Å; Y58-I109 HydrophobicContact CE1-CG2 4.23Å; Y58-I109 HydrophobicContact CE2-CB 4.33Å; Y58-I109 HydrophobicContact CE2-CD1 3.83Å; Y58-I109 HydrophobicContact CE2-CG1 4.48Å; Y58-I109 HydrophobicContact CG-CB 4.4Å; Y58-I109 HydrophobicContact CG-CD1 4.45Å; Y58-I109 HydrophobicContact CG-CG1 4.47Å; Y58-Y137 VanDerWaalsContact CB-OH 3.3Å; Y58-Y137 WeakPolarHBondContact CB-OH 3.39Å; Y58-Y137 PolarHBondContact O-OH 3.01Å
59	K	95.2	Very high	97.1	Very high	75 Å²	75	33.7 Å²	33.7	33%	0.326	19%	0.19	S	C	.	.	H	α-helix	trans	-61.4	-46.5	174.9	178.4	-171.6	176.6	-168.9	0	111.9	S55 A57 G63 Q264	S55-K59 WeakPolarHBondContact O-CB 3.38Å; S55-K59 PolarHBondContact O-N 3.37Å; A57-K59 PolarHBondContact O-N 3.25Å; K59-G63 WeakPolarHBondContact O-CA 3.17Å; K59-G63 PolarHBondContact O-N 3.49Å; K59-Q264 PolarHBondContact NZ-O 2.76Å
60	N	96.6	Very high	97.2	Very high	56 Å²	56	32.1 Å²	32.1	30%	0.299	18%	0.18	S	C	.	.	H	α-helix	trans	-67.5	-45.1	-178.5	-81.3	-75.8	0	0	0	111.3	Y27 V56 A57 G63 A64	Y27-N60 HydrophobicContact CD1-CB 3.56Å; Y27-N60 HydrophobicContact CD2-CB 3.48Å; Y27-N60 VanDerWaalsContact CD2-CB 3.48Å; Y27-N60 HydrophobicContact CE1-CB 3.89Å; Y27-N60 WeakPolarHBondContact CE1-ND2 3.43Å; Y27-N60 HydrophobicContact CE2-CB 3.81Å; Y27-N60 HydrophobicContact CG-CB 3.33Å; Y27-N60 VanDerWaalsContact CZ-CG 3.49Å; V56-N60 PolarHBondContact O-N 3.45Å; V56-N60 PolarHBondContact O-ND2 3Å; A57-N60 PolarHBondContact O-N 3.2Å; N60-G63 PolarHBondContact O-N 2.87Å; N60-A64 WeakPolarHBondContact O-CB 3.32Å; N60-A64 PolarHBondContact O-N 3.13Å
61	V	98	Very high	97.3	Very high	12 Å²	12	36.4 Å²	36.4	7%	0.073	20%	0.202	C	C	.	.	H	α-helix	trans	-62.5	-49.7	178.7	176.8	0	0	0	0	111.4	Y27 E28 V31 A57 R65 I105	Y27-V61 VanDerWaalsContact C-CG2 3.45Å; Y27-V61 WeakPolarHBondContact O-CG2 3.4Å; E28-V61 HydrophobicContact CG-CG2 4.3Å; V31-V61 HydrophobicContact CG2-CB 4.49Å; V31-V61 HydrophobicContact CG2-CG2 3.87Å; A57-V61 WeakPolarHBondContact O-CG2 3.43Å; A57-V61 PolarHBondContact O-N 3.06Å; V61-R65 PolarHBondContact O-N 2.96Å; V61-I105 HydrophobicContact CG1-CD1 3.68Å; V61-I105 HydrophobicContact CG1-CG1 4.02Å; V61-I105 HydrophobicContact CG1-CG2 4.39Å
62	I	97.9	Very high	97.5	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-68.8	-36.9	-179.6	-160.9	72.5	0	0	0	111.5	Y58 R65 R66 L102 I105 Y137 Y140	Y58-I62 WeakPolarHBondContact O-CB 3.45Å; Y58-I62 WeakPolarHBondContact O-CG2 3.24Å; Y58-I62 PolarHBondContact O-N 3.29Å; I62-R65 PolarHBondContact O-N 3.24Å; I62-R66 HydrophobicContact CG1-CG 4.26Å; I62-R66 WeakPolarHBondContact O-CB 3.29Å; I62-R66 WeakPolarHBondContact O-CG 3.38Å; I62-R66 PolarHBondContact O-N 3.45Å; I62-L102 HydrophobicContact CD1-CD2 3.56Å; I62-L102 HydrophobicContact CG1-CD2 4.27Å; I62-I105 HydrophobicContact CB-CG2 4.22Å; I62-I105 HydrophobicContact CD1-CB 3.89Å; I62-I105 HydrophobicContact CD1-CD1 4.29Å; I62-I105 HydrophobicContact CD1-CG2 3.68Å; I62-I105 HydrophobicContact CG1-CG2 4.5Å; I62-Y137 HydrophobicContact CB-CE1 3.98Å; I62-Y137 HydrophobicContact CD1-CE1 4.26Å; I62-Y137 HydrophobicContact CG1-CE1 3.96Å; I62-Y137 HydrophobicContact CG2-CE1 4.05Å; I62-Y140 HydrophobicContact CG1-CD2 3.8Å; I62-Y140 HydrophobicContact CG1-CE2 4.27Å; I62-Y140 HydrophobicContact CG1-CG 4.5Å; I62-Y140 HydrophobicContact CG2-CD2 4.37Å; I62-Y140 HydrophobicContact CG2-CE2 3.99Å
63	G	96.9	Very high	97.6	Very high	31 Å²	31	35.6 Å²	35.6	32%	0.32	20%	0.2	S	C	.	.	H	α-helix	trans	-62	-48.5	179.4	0	0	0	0	0	112.3	K59 N60 R65 R66 A67	K59-G63 WeakPolarHBondContact O-CA 3.17Å; K59-G63 PolarHBondContact O-N 3.49Å; N60-G63 PolarHBondContact O-N 2.87Å; G63-R65 VanDerWaalsContact C-N 3.3Å; G63-R65 PolarHBondContact O-N 3.39Å; G63-R66 PolarHBondContact O-N 3.33Å; G63-A67 WeakPolarHBondContact O-CB 3.26Å; G63-A67 PolarHBondContact O-N 2.99Å
64	A	96.7	Very high	97.6	Very high	60 Å²	60	37.1 Å²	37.1	50%	0.496	21%	0.211	S	C	.	.	H	α-helix	trans	-60.3	-41	176.5	0	0	0	0	0	111.8	N60 S68	N60-A64 WeakPolarHBondContact O-CB 3.32Å; N60-A64 PolarHBondContact O-N 3.13Å; A64-S68 PolarHBondContact O-N 2.87Å; A64-S68 PolarHBondContact O-OG 3.4Å
65	R	97.9	Very high	97.6	Very high	69 Å²	69	40.4 Å²	40.4	26%	0.26	23%	0.228	S	C	.	.	H	α-helix	trans	-71.3	-40	179.9	-158.3	68.6	58.8	-179.1	-7.5	112.4	V61 I62 G63 S68 W69 I98 E101 L102 I105	V61-R65 PolarHBondContact O-N 2.96Å; I62-R65 PolarHBondContact O-N 3.24Å; G63-R65 VanDerWaalsContact C-N 3.3Å; G63-R65 PolarHBondContact O-N 3.39Å; R65-S68 WeakPolarHBondContact O-CB 3.4Å; R65-S68 PolarHBondContact O-N 3.03Å; R65-W69 PolarHBondContact O-N 2.73Å; R65-I98 HydrophobicContact CG-CG2 3.94Å; R65-E101 VanDerWaalsContact CD-OE2 3.24Å; R65-E101 WeakPolarHBondContact CD-OE2 3.45Å; R65-E101 HydrophobicContact CG-CB 4.26Å; R65-E101 IonicContact CZ-OE2 2.61Å; R65-E101 VanDerWaalsContact CZ-OE2 3.3Å; R65-E101 IonicContact NE-OE2 2.63Å; R65-E101 PolarHBondContact NE-OE2 2.96Å; R65-E101 IonicContact NH1-OE1 2.76Å; R65-E101 IonicContact NH1-OE2 3.68Å; R65-E101 PolarHBondContact NH1-OE2 3.32Å; R65-L102 HydrophobicContact CB-CD2 3.64Å; R65-L102 HydrophobicContact CB-CG 4.26Å; R65-L102 HydrophobicContact CG-CD2 3.65Å; R65-L102 HydrophobicContact CG-CG 3.69Å; R65-I105 HydrophobicContact CB-CD1 4.23Å; R65-I105 HydrophobicContact CG-CD1 4.28Å
66	R	98	Very high	97.7	Very high	27 Å²	27	40.8 Å²	40.8	10%	0.102	23%	0.229	C	C	.	.	H	α-helix	trans	-64.7	-41.8	174.5	-77	177.2	66.5	-138.7	14.9	111.7	I62 G63 S68 W69 R70 L102 Y140 E143	I62-R66 HydrophobicContact CG1-CG 4.26Å; I62-R66 WeakPolarHBondContact O-CB 3.29Å; I62-R66 WeakPolarHBondContact O-CG 3.38Å; I62-R66 PolarHBondContact O-N 3.45Å; G63-R66 PolarHBondContact O-N 3.33Å; R66-S68 VanDerWaalsContact C-N 3.34Å; R66-S68 PolarHBondContact O-N 2.7Å; R66-W69 PolarHBondContact O-N 3.36Å; R66-R70 WeakPolarHBondContact O-CG 3.31Å; R66-R70 PolarHBondContact O-N 3.42Å; R66-L102 HydrophobicContact CG-CD2 3.67Å; R66-Y140 VanDerWaalsContact CZ-CD1 3.41Å; R66-E143 IonicContact CZ-OE1 3.88Å; R66-E143 IonicContact CZ-OE2 3.47Å; R66-E143 IonicContact NE-OE1 3.29Å; R66-E143 PolarHBondContact NE-OE1 3.44Å; R66-E143 IonicContact NE-OE2 2.71Å; R66-E143 PolarHBondContact NE-OE2 3.32Å; R66-E143 VanDerWaalsContact NH2-CD 3.29Å; R66-E143 IonicContact NH2-OE1 3.64Å; R66-E143 PolarHBondContact NH2-OE1 3.39Å; R66-E143 IonicContact NH2-OE2 3.77Å; R66-E143 PolarHBondContact NH2-OE2 3.06Å; R66-E143 VanDerWaalsContact NH2-OE2 3.12Å
67	A	98	Very high	97.7	Very high	45 Å²	45	44.7 Å²	44.7	37%	0.372	24%	0.244	S	C	.	.	H	α-helix	trans	-59.4	-46.6	174.1	0	0	0	0	0	111.4	G63 W69 R70 I71	G63-A67 WeakPolarHBondContact O-CB 3.26Å; G63-A67 PolarHBondContact O-N 2.99Å; A67-W69 PolarHBondContact O-N 2.68Å; A67-R70 PolarHBondContact O-N 3.01Å; A67-I71 WeakPolarHBondContact O-CG1 3.14Å; A67-I71 PolarHBondContact O-N 3.41Å; A67-I71 VanDerWaalsContact O-N 3.09Å
68	S	98.1	Very high	97.6	Very high	50 Å²	50	50.1 Å²	50.1	35%	0.35	27%	0.268	S	S	.	.	H	α-helix	trans	-56.9	-48.7	174.7	-55.3	0	0	0	0	111.5	A64 R65 R66 R70 I71 I72	A64-S68 PolarHBondContact O-N 2.87Å; A64-S68 PolarHBondContact O-OG 3.4Å; R65-S68 WeakPolarHBondContact O-CB 3.4Å; R65-S68 PolarHBondContact O-N 3.03Å; R66-S68 VanDerWaalsContact C-N 3.34Å; R66-S68 PolarHBondContact O-N 2.7Å; S68-R70 PolarHBondContact O-N 2.99Å; S68-I71 PolarHBondContact O-N 2.9Å; S68-I72 WeakPolarHBondContact O-CG1 3.46Å; S68-I72 PolarHBondContact O-N 3.01Å
69	W	98.5	Very high	97.6	Very high	35 Å²	35	51.2 Å²	51.2	13%	0.133	27%	0.273	C	S	.	.	H	α-helix	trans	-59.5	-45	178.9	174.7	78.2	0	0	0	112.8	R65 R66 A67 I71 I72 S73 I98 E99 L102 E143 F144	R65-W69 PolarHBondContact O-N 2.73Å; R66-W69 PolarHBondContact O-N 3.36Å; A67-W69 PolarHBondContact O-N 2.68Å; W69-I71 PolarHBondContact O-N 3.48Å; W69-I72 PolarHBondContact O-N 3.33Å; W69-S73 WeakPolarHBondContact O-CB 3.35Å; W69-S73 PolarHBondContact O-N 3.47Å; W69-S73 PolarHBondContact O-OG 3.18Å; W69-I98 HydrophobicContact CB-CG2 3.74Å; W69-E99 PolarHBondContact NE1-OE1 3.05Å; W69-L102 HydrophobicContact CB-CD1 3.82Å; W69-L102 HydrophobicContact CG-CD1 3.97Å; W69-E143 HydrophobicContact CH2-CB 4.37Å; W69-E143 WeakPolarHBondContact CH2-O 2.99Å; W69-E143 HydrophobicContact CZ3-CB 4.32Å; W69-F144 HydrophobicContact CD2-CB 4.16Å; W69-F144 HydrophobicContact CH2-CB 3.92Å; W69-F144 HydrophobicContact CZ2-CB 3.28Å
70	R	97.8	Very high	97.7	Very high	74 Å²	74	52.8 Å²	52.8	28%	0.279	28%	0.282	S	S	.	.	H	α-helix	trans	-61.2	-44.8	177.9	-73.5	-176.5	179.3	106.8	-0.8	112.5	R66 A67 S68 S73 S74 E143	R66-R70 WeakPolarHBondContact O-CG 3.31Å; R66-R70 PolarHBondContact O-N 3.42Å; A67-R70 PolarHBondContact O-N 3.01Å; S68-R70 PolarHBondContact O-N 2.99Å; R70-S73 PolarHBondContact O-N 2.99Å; R70-S74 WeakPolarHBondContact O-CB 3.32Å; R70-S74 PolarHBondContact O-N 3.05Å; R70-E143 IonicContact NH2-OE2 3.3Å; R70-E143 PolarHBondContact NH2-OE2 2.74Å
71	I	98.3	Very high	97.7	Very high	103 Å²	103	55 Å²	55	53%	0.528	30%	0.301	S	S	.	.	H	α-helix	trans	-62.2	-49.4	179.2	-68.2	166.5	0	0	0	110.1	A67 S68 W69 S73 S74 I75	A67-I71 WeakPolarHBondContact O-CG1 3.14Å; A67-I71 PolarHBondContact O-N 3.41Å; A67-I71 VanDerWaalsContact O-N 3.09Å; S68-I71 PolarHBondContact O-N 2.9Å; W69-I71 PolarHBondContact O-N 3.48Å; I71-S73 VanDerWaalsContact C-N 3.34Å; I71-S73 PolarHBondContact O-N 2.92Å; I71-S74 PolarHBondContact O-N 3.39Å; I71-I75 HydrophobicContact CG2-CD1 3.84Å; I71-I75 WeakPolarHBondContact O-CG1 3.37Å; I71-I75 PolarHBondContact O-N 2.61Å
72	I	98.4	Very high	97.6	Very high	28 Å²	28	62.4 Å²	62.4	14%	0.144	33%	0.328	C	S	.	.	H	α-helix	trans	-63.7	-41.2	-179.5	-64.2	-53.4	0	0	0	111.2	S68 W69 S74 I75 E76 I91 Y94 R95 I98	S68-I72 WeakPolarHBondContact O-CG1 3.46Å; S68-I72 PolarHBondContact O-N 3.01Å; W69-I72 PolarHBondContact O-N 3.33Å; I72-S74 VanDerWaalsContact C-N 3.32Å; I72-S74 PolarHBondContact O-N 2.67Å; I72-I75 HydrophobicContact CD1-CD1 4.36Å; I72-I75 PolarHBondContact O-N 2.87Å; I72-E76 PolarHBondContact O-N 3.28Å; I72-I91 HydrophobicContact CG2-CG2 3.8Å; I72-Y94 HydrophobicContact CD1-CD1 3.93Å; I72-Y94 HydrophobicContact CD1-CE1 3.92Å; I72-Y94 HydrophobicContact CG1-CD1 4.05Å; I72-Y94 HydrophobicContact CG1-CE1 4.07Å; I72-Y94 HydrophobicContact CG2-CD1 4.31Å; I72-R95 HydrophobicContact CG2-CB 3.8Å; I72-R95 HydrophobicContact CG2-CG 4.48Å; I72-I98 HydrophobicContact CB-CD1 4.26Å; I72-I98 HydrophobicContact CG1-CD1 3.7Å
73	S	97.9	Very high	97.5	Very high	18 Å²	18	64.6 Å²	64.6	13%	0.126	35%	0.351	C	S	.	.	H	α-helix	trans	-61.1	-40.2	175.3	-56.9	0	0	0	0	112	W69 R70 I71 E76 Q77 R95	W69-S73 WeakPolarHBondContact O-CB 3.35Å; W69-S73 PolarHBondContact O-N 3.47Å; W69-S73 PolarHBondContact O-OG 3.18Å; R70-S73 PolarHBondContact O-N 2.99Å; I71-S73 VanDerWaalsContact C-N 3.34Å; I71-S73 PolarHBondContact O-N 2.92Å; S73-E76 PolarHBondContact O-N 3.42Å; S73-Q77 WeakPolarHBondContact O-CG 2.93Å; S73-Q77 PolarHBondContact O-N 2.71Å; S73-Q77 VanDerWaalsContact O-N 3.16Å; S73-R95 WeakPolarHBondContact OG-CD 3.38Å
74	S	97.8	Very high	97.4	Very high	43 Å²	43	66.2 Å²	66.2	30%	0.301	35%	0.352	S	S	.	.	H	α-helix	trans	-66.9	-36.6	175	-175.8	0	0	0	0	112.7	R70 I71 I72 K78	R70-S74 WeakPolarHBondContact O-CB 3.32Å; R70-S74 PolarHBondContact O-N 3.05Å; I71-S74 PolarHBondContact O-N 3.39Å; I72-S74 VanDerWaalsContact C-N 3.32Å; I72-S74 PolarHBondContact O-N 2.67Å; S74-K78 WeakPolarHBondContact O-CG 3.27Å; S74-K78 PolarHBondContact O-N 3.19Å; S74-K78 VanDerWaalsContact O-N 3.15Å
75	I	98	Very high	97.3	Very high	69 Å²	69	68.9 Å²	68.9	35%	0.354	36%	0.358	S	S	.	.	H	α-helix	trans	-68.1	-41	175.7	-65.8	167.5	0	0	0	110.4	I71 I72 Q77 K78 E79 I91	I71-I75 HydrophobicContact CG2-CD1 3.84Å; I71-I75 WeakPolarHBondContact O-CG1 3.37Å; I71-I75 PolarHBondContact O-N 2.61Å; I72-I75 HydrophobicContact CD1-CD1 4.36Å; I72-I75 PolarHBondContact O-N 2.87Å; I75-Q77 PolarHBondContact O-N 3.48Å; I75-K78 PolarHBondContact O-N 3.13Å; I75-E79 HydrophobicContact CG2-CG 4.41Å; I75-E79 PolarHBondContact O-N 3.24Å; I75-I91 HydrophobicContact CG2-CD1 3.87Å
76	E	97.9	Very high	97.2	Very high	13 Å²	13	72.1 Å²	72.1	6%	0.061	38%	0.381	C	S	.	.	H	α-helix	trans	-55.2	-51.8	175	-168.6	178.8	171	0	0	110.7	I72 S73 K78 E79 E80 V88 I91 R92 R95	I72-E76 PolarHBondContact O-N 3.28Å; S73-E76 PolarHBondContact O-N 3.42Å; E76-K78 VanDerWaalsContact C-N 3.29Å; E76-K78 PolarHBondContact O-N 2.9Å; E76-E79 PolarHBondContact O-N 3.42Å; E76-E80 WeakPolarHBondContact O-CB 3.41Å; E76-E80 PolarHBondContact O-N 2.9Å; E76-V88 HydrophobicContact CG-CG1 4.27Å; E76-I91 HydrophobicContact CB-CG2 3.64Å; E76-I91 HydrophobicContact CG-CG2 4.18Å; E76-R92 IonicContact OE1-CZ 3.77Å; E76-R92 IonicContact OE1-NE 3.84Å; E76-R92 PolarHBondContact OE1-NE 3.49Å; E76-R92 IonicContact OE1-NH2 2.83Å; E76-R95 IonicContact OE1-NH2 3.04Å; E76-R95 PolarHBondContact OE1-NH2 2.82Å; E76-R95 IonicContact OE2-CZ 3.8Å; E76-R95 VanDerWaalsContact OE2-CZ 3.29Å; E76-R95 IonicContact OE2-NE 2.65Å; E76-R95 PolarHBondContact OE2-NE 3.36Å; E76-R95 IonicContact OE2-NH2 2.74Å; E76-R95 PolarHBondContact OE2-NH2 2.99Å; E76-R95 VanDerWaalsContact OE2-NH2 3.09Å
77	Q	97	Very high	97.1	Very high	127 Å²	127	76 Å²	76	59%	0.593	40%	0.4	S	S	*	.	H	α-helix	trans	-59.7	-37.6	178.8	-69.7	172.1	-3.7	0	0	112.8	S73 I75 S81	S73-Q77 WeakPolarHBondContact O-CG 2.93Å; S73-Q77 PolarHBondContact O-N 2.71Å; S73-Q77 VanDerWaalsContact O-N 3.16Å; I75-Q77 PolarHBondContact O-N 3.48Å; Q77-S81 PolarHBondContact O-N 3.01Å; Q77-S81 PolarHBondContact O-OG 3.35Å
78	K	97.2	Very high	97.2	Very high	114 Å²	114	74 Å²	74	50%	0.496	38%	0.383	S	S	.	.	H	α-helix	trans	-70	-38.6	177.7	-75.1	171.3	-175.5	169.1	0	112.3	S74 I75 E76 S81 R82	S74-K78 WeakPolarHBondContact O-CG 3.27Å; S74-K78 PolarHBondContact O-N 3.19Å; S74-K78 VanDerWaalsContact O-N 3.15Å; I75-K78 PolarHBondContact O-N 3.13Å; E76-K78 VanDerWaalsContact C-N 3.29Å; E76-K78 PolarHBondContact O-N 2.9Å; K78-S81 PolarHBondContact O-OG 2.85Å; K78-R82 WeakPolarHBondContact O-CD 3.44Å; K78-R82 WeakPolarHBondContact O-CG 3.45Å; K78-R82 PolarHBondContact O-N 2.9Å
79	E	97.6	Very high	97.1	Very high	24 Å²	24	75 Å²	75	11%	0.112	39%	0.387	C	S	.	.	H	α-helix	trans	-74.8	-32.5	177	-69.4	-60.4	119.4	0	0	111.9	I75 E76 R82 G83 N84 H87 V88 I91	I75-E79 HydrophobicContact CG2-CG 4.41Å; I75-E79 PolarHBondContact O-N 3.24Å; E76-E79 PolarHBondContact O-N 3.42Å; E79-R82 PolarHBondContact O-N 3.33Å; E79-R82 VanDerWaalsContact O-N 3.16Å; E79-R82 IonicContact OE1-CZ 3.77Å; E79-R82 IonicContact OE1-NE 2.68Å; E79-R82 IonicContact OE1-NH1 3.21Å; E79-R82 PolarHBondContact OE1-NH1 3.46Å; E79-G83 PolarHBondContact O-N 2.94Å; E79-N84 PolarHBondContact O-N 3.43Å; E79-N84 VanDerWaalsContact O-N 3.17Å; E79-N84 WeakPolarHBondContact OE2-CB 3.37Å; E79-N84 PolarHBondContact OE2-ND2 3.37Å; E79-H87 IonicContact OE2-ND1 3.98Å; E79-H87 PolarHBondContact OE2-ND1 3.28Å; E79-V88 HydrophobicContact CB-CG2 3.84Å; E79-I91 HydrophobicContact CB-CD1 3.97Å; E79-I91 HydrophobicContact CG-CD1 3.65Å
80	E	96.5	Very high	97.1	Very high	109 Å²	109	77.9 Å²	77.9	51%	0.509	41%	0.409	S	S	.	.	H	α-helix	trans	-64.1	-43.2	173.3	-171.3	168	-145.7	0	0	111.4	E76 R82 G83 V88	E76-E80 WeakPolarHBondContact O-CB 3.41Å; E76-E80 PolarHBondContact O-N 2.9Å; E80-R82 PolarHBondContact O-N 2.97Å; E80-G83 PolarHBondContact O-N 3.38Å; E80-V88 HydrophobicContact CB-CG2 4.02Å
81	S	96.8	Very high	97.2	Very high	101 Å²	101	75.6 Å²	75.6	71%	0.706	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-15.7	175	63.4	0	0	0	0	114.2	Q77 K78	Q77-S81 PolarHBondContact O-N 3.01Å; Q77-S81 PolarHBondContact O-OG 3.35Å; K78-S81 PolarHBondContact O-OG 2.85Å
82	R	96.5	Very high	97.1	Very high	169 Å²	169	75 Å²	75	64%	0.638	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-8.6	173.5	-67.3	168.8	179.9	-179.4	-5.4	113.5	K78 E79 E80 N84	K78-R82 WeakPolarHBondContact O-CD 3.44Å; K78-R82 WeakPolarHBondContact O-CG 3.45Å; K78-R82 PolarHBondContact O-N 2.9Å; E79-R82 PolarHBondContact O-N 3.33Å; E79-R82 VanDerWaalsContact O-N 3.16Å; E79-R82 IonicContact OE1-CZ 3.77Å; E79-R82 IonicContact OE1-NE 2.68Å; E79-R82 IonicContact OE1-NH1 3.21Å; E79-R82 PolarHBondContact OE1-NH1 3.46Å; E80-R82 PolarHBondContact O-N 2.97Å; R82-N84 VanDerWaalsContact C-N 3.34Å
83	G	95.1	Very high	97.1	Very high	48 Å²	48	78.9 Å²	78.9	50%	0.495	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	25.8	-175.5	0	0	0	0	0	114	E79 E80 D85	E79-G83 PolarHBondContact O-N 2.94Å; E80-G83 PolarHBondContact O-N 3.38Å; G83-D85 VanDerWaalsContact C-N 3.32Å; G83-D85 PolarHBondContact O-N 2.99Å; G83-D85 VanDerWaalsContact O-N 3.15Å
84	N	95.3	Very high	97.2	Very high	65 Å²	65	84.1 Å²	84.1	35%	0.348	43%	0.432	S	S	.	.			trans	-86.9	67.1	179	-76.4	-18.2	0	0	0	111.2	E79 R82 D86 H87 V88	E79-N84 PolarHBondContact O-N 3.43Å; E79-N84 VanDerWaalsContact O-N 3.17Å; E79-N84 WeakPolarHBondContact OE2-CB 3.37Å; E79-N84 PolarHBondContact OE2-ND2 3.37Å; R82-N84 VanDerWaalsContact C-N 3.34Å; N84-D86 VanDerWaalsContact C-N 3.28Å; N84-D86 PolarHBondContact O-N 3.39Å; N84-D86 VanDerWaalsContact O-N 3.16Å; N84-H87 HydrophobicContact CB-CB 4.17Å; N84-H87 PolarHBondContact O-N 2.99Å; N84-V88 WeakPolarHBondContact O-CG2 3.1Å; N84-V88 PolarHBondContact O-N 2.5Å
85	D	94.9	Very high	97.2	Very high	115 Å²	115	84.5 Å²	84.5	62%	0.615	43%	0.427	S	S	*	.	H	α-helix	trans	-55	-37.4	-170.1	-65.6	-25.6	0	0	0	114.4	G83 V88 T89	G83-D85 VanDerWaalsContact C-N 3.32Å; G83-D85 PolarHBondContact O-N 2.99Å; G83-D85 VanDerWaalsContact O-N 3.15Å; D85-V88 PolarHBondContact O-N 3.25Å; D85-T89 PolarHBondContact O-N 3.35Å; D85-T89 PolarHBondContact O-OG1 2.73Å
86	D	95.4	Very high	97.2	Very high	137 Å²	137	83.4 Å²	83.4	73%	0.733	43%	0.425	S	S	*	.	H	α-helix	trans	-65.3	-43	177.6	-71.5	-16.5	0	0	0	111.9	N84 T90	N84-D86 VanDerWaalsContact C-N 3.28Å; N84-D86 PolarHBondContact O-N 3.39Å; N84-D86 VanDerWaalsContact O-N 3.16Å; D86-T90 PolarHBondContact O-N 2.85Å; D86-T90 PolarHBondContact O-OG1 3.38Å
87	H	97.1	Very high	97.2	Very high	108 Å²	108	88.3 Å²	88.3	50%	0.5	45%	0.446	S	S	.	.	H	α-helix	trans	-68.4	-43.4	175.2	-67.7	162	0	0	0	110.9	E79 N84 T89 T90 I91	E79-H87 IonicContact OE2-ND1 3.98Å; E79-H87 PolarHBondContact OE2-ND1 3.28Å; N84-H87 HydrophobicContact CB-CB 4.17Å; N84-H87 PolarHBondContact O-N 2.99Å; H87-T89 VanDerWaalsContact C-N 3.27Å; H87-T89 PolarHBondContact O-N 2.98Å; H87-T90 WeakPolarHBondContact O-CB 3.5Å; H87-T90 PolarHBondContact O-N 3.14Å; H87-T90 VanDerWaalsContact O-N 3.13Å; H87-I91 HydrophobicContact CB-CD1 4.3Å; H87-I91 WeakPolarHBondContact O-CB 3.37Å; H87-I91 WeakPolarHBondContact O-CD1 3.45Å; H87-I91 WeakPolarHBondContact O-CG1 3.23Å; H87-I91 PolarHBondContact O-N 2.98Å
88	V	98.1	Very high	97.3	Very high	5 Å²	5	82.4 Å²	82.4	3%	0.03	42%	0.419	C	S	.	.	H	α-helix	trans	-56.2	-44.6	178.2	171.7	0	0	0	0	110.5	E76 E79 E80 N84 D85 T90 I91 R92	E76-V88 HydrophobicContact CG-CG1 4.27Å; E79-V88 HydrophobicContact CB-CG2 3.84Å; E80-V88 HydrophobicContact CB-CG2 4.02Å; N84-V88 WeakPolarHBondContact O-CG2 3.1Å; N84-V88 PolarHBondContact O-N 2.5Å; D85-V88 PolarHBondContact O-N 3.25Å; V88-T90 PolarHBondContact O-N 3.06Å; V88-I91 PolarHBondContact O-N 3.37Å; V88-R92 VanDerWaalsContact O-CB 3.28Å; V88-R92 WeakPolarHBondContact O-CB 3.39Å; V88-R92 PolarHBondContact O-N 3.11Å
89	T	97.9	Very high	97.4	Very high	70 Å²	70	78.3 Å²	78.3	43%	0.429	40%	0.402	S	S	.	.	H	α-helix	trans	-60.3	-47.9	176.7	-57	0	0	0	0	111.4	D85 H87 I91 R92 D93	D85-T89 PolarHBondContact O-N 3.35Å; D85-T89 PolarHBondContact O-OG1 2.73Å; H87-T89 VanDerWaalsContact C-N 3.27Å; H87-T89 PolarHBondContact O-N 2.98Å; T89-I91 VanDerWaalsContact C-N 3.35Å; T89-I91 PolarHBondContact O-N 2.89Å; T89-R92 PolarHBondContact O-N 2.63Å; T89-D93 PolarHBondContact O-N 3.17Å; T89-D93 VanDerWaalsContact O-N 3.1Å
90	T	98.1	Very high	97.4	Very high	96 Å²	96	80.9 Å²	80.9	59%	0.589	42%	0.422	S	S	*	.	H	α-helix	trans	-61.5	-41.9	178	-56	0	0	0	0	112.3	D86 H87 V88 Y94	D86-T90 PolarHBondContact O-N 2.85Å; D86-T90 PolarHBondContact O-OG1 3.38Å; H87-T90 WeakPolarHBondContact O-CB 3.5Å; H87-T90 PolarHBondContact O-N 3.14Å; H87-T90 VanDerWaalsContact O-N 3.13Å; V88-T90 PolarHBondContact O-N 3.06Å; T90-Y94 PolarHBondContact O-N 2.97Å
91	I	98.4	Very high	97.5	Very high	26 Å²	26	78.3 Å²	78.3	13%	0.133	41%	0.41	C	S	.	.	H	α-helix	trans	-67	-41.1	179.3	-66.5	159	0	0	0	110.4	I72 I75 E76 E79 H87 V88 T89 D93 Y94 R95	I72-I91 HydrophobicContact CG2-CG2 3.8Å; I75-I91 HydrophobicContact CG2-CD1 3.87Å; E76-I91 HydrophobicContact CB-CG2 3.64Å; E76-I91 HydrophobicContact CG-CG2 4.18Å; E79-I91 HydrophobicContact CB-CD1 3.97Å; E79-I91 HydrophobicContact CG-CD1 3.65Å; H87-I91 HydrophobicContact CB-CD1 4.3Å; H87-I91 WeakPolarHBondContact O-CB 3.37Å; H87-I91 WeakPolarHBondContact O-CD1 3.45Å; H87-I91 WeakPolarHBondContact O-CG1 3.23Å; H87-I91 PolarHBondContact O-N 2.98Å; V88-I91 PolarHBondContact O-N 3.37Å; T89-I91 VanDerWaalsContact C-N 3.35Å; T89-I91 PolarHBondContact O-N 2.89Å; I91-D93 PolarHBondContact O-N 3.39Å; I91-Y94 PolarHBondContact O-N 3.39Å; I91-R95 PolarHBondContact O-N 2.92Å
92	R	98.1	Very high	97.6	Very high	89 Å²	89	73.5 Å²	73.5	34%	0.336	38%	0.376	S	S	.	.	H	α-helix	trans	-62.7	-41.8	178.7	-173	177.6	-61.7	136.7	-5.7	112.4	E76 V88 T89 Y94 R95 S96	E76-R92 IonicContact OE1-CZ 3.77Å; E76-R92 IonicContact OE1-NE 3.84Å; E76-R92 PolarHBondContact OE1-NE 3.49Å; E76-R92 IonicContact OE1-NH2 2.83Å; V88-R92 VanDerWaalsContact O-CB 3.28Å; V88-R92 WeakPolarHBondContact O-CB 3.39Å; V88-R92 PolarHBondContact O-N 3.11Å; T89-R92 PolarHBondContact O-N 2.63Å; R92-Y94 VanDerWaalsContact C-N 3.3Å; R92-Y94 PolarHBondContact O-N 3.18Å; R92-R95 PolarHBondContact O-N 3.32Å; R92-S96 WeakPolarHBondContact O-CB 3.41Å; R92-S96 PolarHBondContact O-N 3.15Å; R92-S96 PolarHBondContact O-OG 3.02Å
93	D	98.3	Very high	97.7	Very high	110 Å²	110	66.1 Å²	66.1	59%	0.588	35%	0.351	S	S	*	.	H	α-helix	trans	-62.1	-41.9	174.9	-71.9	-14.6	0	0	0	111	T89 I91 S96 K97	T89-D93 PolarHBondContact O-N 3.17Å; T89-D93 VanDerWaalsContact O-N 3.1Å; I91-D93 PolarHBondContact O-N 3.39Å; D93-S96 PolarHBondContact O-N 2.82Å; D93-K97 PolarHBondContact O-N 3.06Å; D93-K97 VanDerWaalsContact O-N 3.13Å
94	Y	98.4	Very high	97.9	Very high	128 Å²	128	71.9 Å²	71.9	50%	0.502	36%	0.362	S	S	.	.	H	α-helix	trans	-68.3	-40.7	177.4	-170	-125.4	0	0	0	112.7	I72 T90 I91 R92 S96 K97 I98	I72-Y94 HydrophobicContact CD1-CD1 3.93Å; I72-Y94 HydrophobicContact CD1-CE1 3.92Å; I72-Y94 HydrophobicContact CG1-CD1 4.05Å; I72-Y94 HydrophobicContact CG1-CE1 4.07Å; I72-Y94 HydrophobicContact CG2-CD1 4.31Å; T90-Y94 PolarHBondContact O-N 2.97Å; I91-Y94 PolarHBondContact O-N 3.39Å; R92-Y94 VanDerWaalsContact C-N 3.3Å; R92-Y94 PolarHBondContact O-N 3.18Å; Y94-S96 VanDerWaalsContact C-N 3.32Å; Y94-S96 PolarHBondContact O-N 3.34Å; Y94-K97 HydrophobicContact CD2-CD 4.48Å; Y94-K97 HydrophobicContact CE2-CD 4.47Å; Y94-K97 WeakPolarHBondContact O-CB 3.47Å; Y94-K97 PolarHBondContact O-N 2.65Å; Y94-I98 HydrophobicContact CD1-CD1 4.28Å; Y94-I98 HydrophobicContact CE1-CD1 4.03Å; Y94-I98 PolarHBondContact O-N 3.37Å
95	R	98.4	Very high	98	Very high	51 Å²	51	70 Å²	70	19%	0.192	35%	0.352	C	S	.	.	H	α-helix	trans	-57.7	-46.1	172	-176.7	176.5	51.8	104.2	-11.7	111	I72 S73 E76 I91 R92 K97 I98 E99	I72-R95 HydrophobicContact CG2-CB 3.8Å; I72-R95 HydrophobicContact CG2-CG 4.48Å; S73-R95 WeakPolarHBondContact OG-CD 3.38Å; E76-R95 IonicContact OE1-NH2 3.04Å; E76-R95 PolarHBondContact OE1-NH2 2.82Å; E76-R95 IonicContact OE2-CZ 3.8Å; E76-R95 VanDerWaalsContact OE2-CZ 3.29Å; E76-R95 IonicContact OE2-NE 2.65Å; E76-R95 PolarHBondContact OE2-NE 3.36Å; E76-R95 IonicContact OE2-NH2 2.74Å; E76-R95 PolarHBondContact OE2-NH2 2.99Å; E76-R95 VanDerWaalsContact OE2-NH2 3.09Å; I91-R95 PolarHBondContact O-N 2.92Å; R92-R95 PolarHBondContact O-N 3.32Å; R95-K97 VanDerWaalsContact C-N 3.25Å; R95-K97 PolarHBondContact O-N 2.9Å; R95-I98 WeakPolarHBondContact O-CA 3.26Å; R95-I98 WeakPolarHBondContact O-CB 3.46Å; R95-I98 PolarHBondContact O-N 3.37Å; R95-E99 HydrophobicContact CG-CG 4.33Å; R95-E99 WeakPolarHBondContact CG-OE1 3.23Å; R95-E99 IonicContact CZ-OE1 3.65Å; R95-E99 IonicContact NE-OE1 3.88Å; R95-E99 IonicContact NH1-OE1 2.82Å; R95-E99 PolarHBondContact NH1-OE1 3.07Å; R95-E99 IonicContact NH1-OE2 2.73Å; R95-E99 WeakPolarHBondContact O-CG 3.33Å; R95-E99 PolarHBondContact O-N 3.37Å
96	S	98.3	Very high	98.2	Very high	46 Å²	46	64.6 Å²	64.6	32%	0.322	32%	0.323	S	S	.	.	H	α-helix	trans	-61.1	-34.1	-179.6	-57.1	0	0	0	0	112.4	R92 D93 Y94 E99 S100	R92-S96 WeakPolarHBondContact O-CB 3.41Å; R92-S96 PolarHBondContact O-N 3.15Å; R92-S96 PolarHBondContact O-OG 3.02Å; D93-S96 PolarHBondContact O-N 2.82Å; Y94-S96 VanDerWaalsContact C-N 3.32Å; Y94-S96 PolarHBondContact O-N 3.34Å; S96-E99 PolarHBondContact O-N 3.29Å; S96-S100 PolarHBondContact O-N 3.22Å; S96-S100 PolarHBondContact O-OG 2.97Å
97	K	98.6	Very high	98.3	Very high	116 Å²	116	62.4 Å²	62.4	50%	0.504	31%	0.311	S	S	.	.	H	α-helix	trans	-62.5	-46.7	171	-179.9	-176.8	173.3	-175.3	0	111.5	D93 Y94 R95 E99 S100 E101	D93-K97 PolarHBondContact O-N 3.06Å; D93-K97 VanDerWaalsContact O-N 3.13Å; Y94-K97 HydrophobicContact CD2-CD 4.48Å; Y94-K97 HydrophobicContact CE2-CD 4.47Å; Y94-K97 WeakPolarHBondContact O-CB 3.47Å; Y94-K97 PolarHBondContact O-N 2.65Å; R95-K97 VanDerWaalsContact C-N 3.25Å; R95-K97 PolarHBondContact O-N 2.9Å; K97-E99 VanDerWaalsContact C-N 3.32Å; K97-E99 PolarHBondContact O-N 3.13Å; K97-S100 WeakPolarHBondContact O-CB 3.18Å; K97-S100 PolarHBondContact O-N 3.34Å; K97-E101 WeakPolarHBondContact CE-OE1 3.39Å; K97-E101 WeakPolarHBondContact O-CG 3.33Å; K97-E101 PolarHBondContact O-N 3.38Å
98	I	98.6	Very high	98.3	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.015	30%	0.3	C	S	.	.	H	α-helix	trans	-63.4	-40.3	178.4	-60.8	169.4	0	0	0	110.7	R65 W69 I72 Y94 R95 S100 E101 L102	R65-I98 HydrophobicContact CG-CG2 3.94Å; W69-I98 HydrophobicContact CB-CG2 3.74Å; I72-I98 HydrophobicContact CB-CD1 4.26Å; I72-I98 HydrophobicContact CG1-CD1 3.7Å; Y94-I98 HydrophobicContact CD1-CD1 4.28Å; Y94-I98 HydrophobicContact CE1-CD1 4.03Å; Y94-I98 PolarHBondContact O-N 3.37Å; R95-I98 WeakPolarHBondContact O-CA 3.26Å; R95-I98 WeakPolarHBondContact O-CB 3.46Å; R95-I98 PolarHBondContact O-N 3.37Å; I98-S100 VanDerWaalsContact C-N 3.3Å; I98-S100 PolarHBondContact O-N 3.26Å; I98-E101 WeakPolarHBondContact O-CB 3.37Å; I98-E101 PolarHBondContact O-N 3.23Å; I98-L102 HydrophobicContact CG2-CD1 4.39Å; I98-L102 WeakPolarHBondContact O-CG 3.45Å; I98-L102 PolarHBondContact O-N 2.88Å
99	E	98.7	Very high	98.3	Very high	29 Å²	29	58.3 Å²	58.3	14%	0.136	30%	0.299	C	S	.	.	H	α-helix	trans	-62.5	-36.3	175.5	-70.1	174.9	176.8	0	0	112.4	W69 R95 S96 K97 L102 S103 F144	W69-E99 PolarHBondContact NE1-OE1 3.05Å; R95-E99 HydrophobicContact CG-CG 4.33Å; R95-E99 WeakPolarHBondContact CG-OE1 3.23Å; R95-E99 IonicContact CZ-OE1 3.65Å; R95-E99 IonicContact NE-OE1 3.88Å; R95-E99 IonicContact NH1-OE1 2.82Å; R95-E99 PolarHBondContact NH1-OE1 3.07Å; R95-E99 IonicContact NH1-OE2 2.73Å; R95-E99 WeakPolarHBondContact O-CG 3.33Å; R95-E99 PolarHBondContact O-N 3.37Å; S96-E99 PolarHBondContact O-N 3.29Å; K97-E99 VanDerWaalsContact C-N 3.32Å; K97-E99 PolarHBondContact O-N 3.13Å; E99-L102 PolarHBondContact O-N 3.46Å; E99-S103 WeakPolarHBondContact O-CB 3.49Å; E99-S103 PolarHBondContact O-N 2.96Å; E99-S103 PolarHBondContact O-OG 3.29Å; E99-F144 HydrophobicContact CB-CD2 3.7Å; E99-F144 HydrophobicContact CB-CE2 3.86Å; E99-F144 HydrophobicContact CG-CB 4.2Å; E99-F144 HydrophobicContact CG-CD2 3.6Å; E99-F144 HydrophobicContact CG-CE2 4.27Å; E99-F144 HydrophobicContact CG-CG 4.11Å; E99-F144 WeakPolarHBondContact O-CE2 3.43Å
100	S	98.7	Very high	98.3	Very high	78 Å²	78	55.5 Å²	55.5	55%	0.545	28%	0.281	S	S	.	.	H	α-helix	trans	-66.8	-39.8	173.9	-58.3	0	0	0	0	111.7	S96 K97 I98 S103 K104	S96-S100 PolarHBondContact O-N 3.22Å; S96-S100 PolarHBondContact O-OG 2.97Å; K97-S100 WeakPolarHBondContact O-CB 3.18Å; K97-S100 PolarHBondContact O-N 3.34Å; I98-S100 VanDerWaalsContact C-N 3.3Å; I98-S100 PolarHBondContact O-N 3.26Å; S100-S103 PolarHBondContact O-N 3.23Å; S100-K104 PolarHBondContact O-N 3.07Å
101	E	98.5	Very high	98.3	Very high	54 Å²	54	58 Å²	58	25%	0.252	28%	0.284	S	S	.	.	H	α-helix	trans	-65.7	-44.2	174.8	-67.6	164.9	173.1	0	0	111.3	R65 K97 I98 K104 I105	R65-E101 VanDerWaalsContact CD-OE2 3.24Å; R65-E101 WeakPolarHBondContact CD-OE2 3.45Å; R65-E101 HydrophobicContact CG-CB 4.26Å; R65-E101 IonicContact CZ-OE2 2.61Å; R65-E101 VanDerWaalsContact CZ-OE2 3.3Å; R65-E101 IonicContact NE-OE2 2.63Å; R65-E101 PolarHBondContact NE-OE2 2.96Å; R65-E101 IonicContact NH1-OE1 2.76Å; R65-E101 IonicContact NH1-OE2 3.68Å; R65-E101 PolarHBondContact NH1-OE2 3.32Å; K97-E101 WeakPolarHBondContact CE-OE1 3.39Å; K97-E101 WeakPolarHBondContact O-CG 3.33Å; K97-E101 PolarHBondContact O-N 3.38Å; I98-E101 WeakPolarHBondContact O-CB 3.37Å; I98-E101 PolarHBondContact O-N 3.23Å; E101-K104 PolarHBondContact O-N 2.97Å; E101-I105 WeakPolarHBondContact O-CD1 3.25Å; E101-I105 VanDerWaalsContact O-CG1 3.32Å; E101-I105 WeakPolarHBondContact O-CG1 3.41Å; E101-I105 PolarHBondContact O-N 2.95Å; E101-I105 VanDerWaalsContact O-N 3.08Å
102	L	98.5	Very high	98.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-57.6	-47.8	173.3	-77.6	171.1	0	0	0	111.7	I62 R65 R66 W69 I98 E99 K104 I105 C106 F144	I62-L102 HydrophobicContact CD1-CD2 3.56Å; I62-L102 HydrophobicContact CG1-CD2 4.27Å; R65-L102 HydrophobicContact CB-CD2 3.64Å; R65-L102 HydrophobicContact CB-CG 4.26Å; R65-L102 HydrophobicContact CG-CD2 3.65Å; R65-L102 HydrophobicContact CG-CG 3.69Å; R66-L102 HydrophobicContact CG-CD2 3.67Å; W69-L102 HydrophobicContact CB-CD1 3.82Å; W69-L102 HydrophobicContact CG-CD1 3.97Å; I98-L102 HydrophobicContact CG2-CD1 4.39Å; I98-L102 WeakPolarHBondContact O-CG 3.45Å; I98-L102 PolarHBondContact O-N 2.88Å; E99-L102 PolarHBondContact O-N 3.46Å; L102-K104 VanDerWaalsContact C-N 3.33Å; L102-K104 PolarHBondContact O-N 3.32Å; L102-I105 PolarHBondContact O-N 3.16Å; L102-C106 PolarHBondContact O-N 3.27Å; L102-C106 PolarHBondContact O-SG 3.48Å; L102-F144 HydrophobicContact CB-CD1 4.45Å; L102-F144 HydrophobicContact CB-CE1 3.65Å; L102-F144 HydrophobicContact CB-CE2 4.46Å; L102-F144 HydrophobicContact CB-CZ 3.65Å; L102-F144 HydrophobicContact CD1-CD1 3.87Å; L102-F144 HydrophobicContact CD1-CE1 3.91Å; L102-F144 HydrophobicContact CD1-CG 4.41Å; L102-F144 HydrophobicContact CD1-CZ 4.48Å; L102-F144 HydrophobicContact CG-CE1 4.35Å
103	S	98.6	Very high	98.2	Very high	14 Å²	14	53.2 Å²	53.2	10%	0.098	27%	0.265	C	S	.	.	H	α-helix	trans	-58.7	-46.9	179.1	-57.2	0	0	0	0	110.5	E99 S100 I105 C106 D107 F144 K145	E99-S103 WeakPolarHBondContact O-CB 3.49Å; E99-S103 PolarHBondContact O-N 2.96Å; E99-S103 PolarHBondContact O-OG 3.29Å; S100-S103 PolarHBondContact O-N 3.23Å; S103-I105 VanDerWaalsContact C-N 3.34Å; S103-I105 PolarHBondContact O-N 3.45Å; S103-C106 PolarHBondContact O-N 3.29Å; S103-D107 WeakPolarHBondContact O-CB 3.47Å; S103-D107 PolarHBondContact O-N 3.04Å; S103-F144 WeakPolarHBondContact OG-CE2 3.48Å; S103-F144 WeakPolarHBondContact OG-CZ 3.42Å; S103-K145 WeakPolarHBondContact OG-CE 3.37Å
104	K	98.5	Very high	98.1	Very high	170 Å²	170	51.5 Å²	51.5	74%	0.739	26%	0.256	S	S	*	.	H	α-helix	trans	-59.2	-42.1	178.4	-174.1	-177.8	176.5	-171	0	112.8	S100 E101 L102 G108	S100-K104 PolarHBondContact O-N 3.07Å; E101-K104 PolarHBondContact O-N 2.97Å; L102-K104 VanDerWaalsContact C-N 3.33Å; L102-K104 PolarHBondContact O-N 3.32Å; K104-G108 PolarHBondContact O-N 3.41Å; K104-G108 VanDerWaalsContact O-N 3.11Å
105	I	98.4	Very high	97.9	Very high	26 Å²	26	49.7 Å²	49.7	13%	0.133	26%	0.258	C	S	.	.	H	α-helix	trans	-64.7	-46.5	177.9	-63.6	155.2	0	0	0	110.2	Y58 V61 I62 R65 E101 L102 S103 G108 I109 Y137	Y58-I105 HydrophobicContact CD1-CG2 4.04Å; Y58-I105 HydrophobicContact CE1-CG2 4.29Å; V61-I105 HydrophobicContact CG1-CD1 3.68Å; V61-I105 HydrophobicContact CG1-CG1 4.02Å; V61-I105 HydrophobicContact CG1-CG2 4.39Å; I62-I105 HydrophobicContact CB-CG2 4.22Å; I62-I105 HydrophobicContact CD1-CB 3.89Å; I62-I105 HydrophobicContact CD1-CD1 4.29Å; I62-I105 HydrophobicContact CD1-CG2 3.68Å; I62-I105 HydrophobicContact CG1-CG2 4.5Å; R65-I105 HydrophobicContact CB-CD1 4.23Å; R65-I105 HydrophobicContact CG-CD1 4.28Å; E101-I105 WeakPolarHBondContact O-CD1 3.25Å; E101-I105 VanDerWaalsContact O-CG1 3.32Å; E101-I105 WeakPolarHBondContact O-CG1 3.41Å; E101-I105 PolarHBondContact O-N 2.95Å; E101-I105 VanDerWaalsContact O-N 3.08Å; L102-I105 PolarHBondContact O-N 3.16Å; S103-I105 VanDerWaalsContact C-N 3.34Å; S103-I105 PolarHBondContact O-N 3.45Å; I105-G108 PolarHBondContact O-N 3.3Å; I105-I109 PolarHBondContact O-N 3.01Å; I105-Y137 HydrophobicContact CG2-CE1 4.45Å
106	C	98.6	Very high	97.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.5	-47.3	178.9	-61.3	0	0	0	0	111.4	L102 S103 G108 I109 L110 Y137 L141	L102-C106 PolarHBondContact O-N 3.27Å; L102-C106 PolarHBondContact O-SG 3.48Å; S103-C106 PolarHBondContact O-N 3.29Å; C106-G108 VanDerWaalsContact C-N 3.26Å; C106-G108 PolarHBondContact O-N 3.16Å; C106-I109 VanDerWaalsContact O-CG2 3.3Å; C106-I109 WeakPolarHBondContact O-CG2 3.42Å; C106-I109 PolarHBondContact O-N 2.84Å; C106-L110 HydrophobicContact CB-CD1 4.37Å; C106-L110 VanDerWaalsContact O-CB 3.26Å; C106-L110 WeakPolarHBondContact O-CB 3.42Å; C106-L110 WeakPolarHBondContact O-CG 3.46Å; C106-L110 PolarHBondContact O-N 3.25Å; C106-Y137 HydrophobicContact CB-CD1 4.25Å; C106-L141 HydrophobicContact CB-CD1 4.07Å; C106-L141 HydrophobicContact CB-CD2 3.74Å; C106-L141 HydrophobicContact CB-CG 3.78Å
107	D	98.2	Very high	97.5	Very high	92 Å²	92	49.8 Å²	49.8	49%	0.492	25%	0.252	S	S	.	.	H	α-helix	trans	-61.7	-35.5	-179.3	-66.6	-20.9	0	0	0	112	S103 K111	S103-D107 WeakPolarHBondContact O-CB 3.47Å; S103-D107 PolarHBondContact O-N 3.04Å; D107-K111 WeakPolarHBondContact O-CB 3.38Å; D107-K111 PolarHBondContact O-N 2.98Å
108	G	96.8	Very high	97.4	Very high	26 Å²	26	46.1 Å²	46.1	27%	0.268	24%	0.24	S	C	.	.	H	α-helix	trans	-59.1	-57	175.6	0	0	0	0	0	112.5	K104 I105 C106 K111 L112	K104-G108 PolarHBondContact O-N 3.41Å; K104-G108 VanDerWaalsContact O-N 3.11Å; I105-G108 PolarHBondContact O-N 3.3Å; C106-G108 VanDerWaalsContact C-N 3.26Å; C106-G108 PolarHBondContact O-N 3.16Å; G108-K111 PolarHBondContact O-N 2.76Å; G108-L112 PolarHBondContact O-N 3.19Å; G108-L112 VanDerWaalsContact O-N 3.14Å
109	I	97.9	Very high	97.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-69.9	-38.5	-179.2	-173	57.8	0	0	0	112.3	L54 Y58 I105 C106 K111 L112 L113 M133 Y137	L54-I109 HydrophobicContact CD2-CD1 4.27Å; Y58-I109 HydrophobicContact CD1-CB 3.91Å; Y58-I109 HydrophobicContact CD1-CG1 4.46Å; Y58-I109 HydrophobicContact CD1-CG2 4.31Å; Y58-I109 HydrophobicContact CD2-CD1 4.02Å; Y58-I109 HydrophobicContact CE1-CB 3.58Å; Y58-I109 HydrophobicContact CE1-CG1 4.44Å; Y58-I109 HydrophobicContact CE1-CG2 4.23Å; Y58-I109 HydrophobicContact CE2-CB 4.33Å; Y58-I109 HydrophobicContact CE2-CD1 3.83Å; Y58-I109 HydrophobicContact CE2-CG1 4.48Å; Y58-I109 HydrophobicContact CG-CB 4.4Å; Y58-I109 HydrophobicContact CG-CD1 4.45Å; Y58-I109 HydrophobicContact CG-CG1 4.47Å; I105-I109 PolarHBondContact O-N 3.01Å; C106-I109 VanDerWaalsContact O-CG2 3.3Å; C106-I109 WeakPolarHBondContact O-CG2 3.42Å; C106-I109 PolarHBondContact O-N 2.84Å; I109-K111 VanDerWaalsContact C-N 3.31Å; I109-K111 PolarHBondContact O-N 2.74Å; I109-L112 HydrophobicContact CD1-CD2 4.27Å; I109-L112 PolarHBondContact O-N 3.26Å; I109-L112 VanDerWaalsContact O-N 3.11Å; I109-L113 HydrophobicContact CD1-CD1 4.46Å; I109-L113 HydrophobicContact CD1-CG 4.2Å; I109-L113 HydrophobicContact CG1-CD1 3.87Å; I109-L113 HydrophobicContact CG1-CG 4.14Å; I109-L113 WeakPolarHBondContact O-CB 3.48Å; I109-L113 VanDerWaalsContact O-CG 3.22Å; I109-L113 WeakPolarHBondContact O-CG 3.36Å; I109-L113 PolarHBondContact O-N 3.44Å; I109-M133 HydrophobicContact CD1-SD 4.05Å; I109-M133 HydrophobicContact CG1-SD 4.03Å; I109-Y137 HydrophobicContact CG1-CD2 4.3Å; I109-Y137 HydrophobicContact CG1-CE2 4.28Å; I109-Y137 HydrophobicContact CG2-CD1 3.36Å; I109-Y137 HydrophobicContact CG2-CD2 3.62Å; I109-Y137 HydrophobicContact CG2-CE1 3.68Å; I109-Y137 HydrophobicContact CG2-CE2 3.96Å; I109-Y137 HydrophobicContact CG2-CG 3.34Å
110	L	98.6	Very high	96.9	Very high	12 Å²	12	50.5 Å²	50.5	6%	0.063	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-41.9	177.9	-71.7	172.6	0	0	0	111.2	C106 L113 D114 K134 L141	C106-L110 HydrophobicContact CB-CD1 4.37Å; C106-L110 VanDerWaalsContact O-CB 3.26Å; C106-L110 WeakPolarHBondContact O-CB 3.42Å; C106-L110 WeakPolarHBondContact O-CG 3.46Å; C106-L110 PolarHBondContact O-N 3.25Å; L110-L113 PolarHBondContact O-N 2.69Å; L110-D114 WeakPolarHBondContact O-CB 3.22Å; L110-D114 PolarHBondContact O-N 2.66Å; L110-K134 HydrophobicContact CD2-CG 3.84Å; L110-L141 HydrophobicContact CD1-CD1 3.82Å
111	K	97.6	Very high	96.6	Very high	149 Å²	149	47.2 Å²	47.2	65%	0.648	25%	0.25	S	S	*	.	H	α-helix	trans	-61.9	-43.8	173.5	-178.6	-175.9	174.9	-168.8	0	111.6	D107 G108 I109 D114 T115	D107-K111 WeakPolarHBondContact O-CB 3.38Å; D107-K111 PolarHBondContact O-N 2.98Å; G108-K111 PolarHBondContact O-N 2.76Å; I109-K111 VanDerWaalsContact C-N 3.31Å; I109-K111 PolarHBondContact O-N 2.74Å; K111-D114 PolarHBondContact O-N 2.85Å; K111-T115 HydrophobicContact CG-CG2 4.33Å; K111-T115 WeakPolarHBondContact O-CB 3.45Å; K111-T115 WeakPolarHBondContact O-CG2 3.29Å; K111-T115 PolarHBondContact O-N 3.3Å; K111-T115 PolarHBondContact O-OG1 2.98Å
112	L	96	Very high	96.2	Very high	13 Å²	13	48.2 Å²	48.2	7%	0.068	27%	0.268	C	S	.	.	H	α-helix	trans	-64.8	-42.3	179.8	-173	63	0	0	0	111.9	A38 L54 G108 I109 R116 L117	A38-L112 HydrophobicContact CB-CD1 3.76Å; A38-L112 HydrophobicContact CB-CD2 3.74Å; A38-L112 HydrophobicContact CB-CG 4.15Å; L54-L112 HydrophobicContact CD1-CD2 4.24Å; L54-L112 HydrophobicContact CD2-CD2 4.36Å; G108-L112 PolarHBondContact O-N 3.19Å; G108-L112 VanDerWaalsContact O-N 3.14Å; I109-L112 HydrophobicContact CD1-CD2 4.27Å; I109-L112 PolarHBondContact O-N 3.26Å; I109-L112 VanDerWaalsContact O-N 3.11Å; L112-R116 HydrophobicContact CD1-CB 4.43Å; L112-R116 PolarHBondContact O-N 3.17Å; L112-L117 HydrophobicContact CD2-CD1 4Å; L112-L117 HydrophobicContact CG-CD1 3.85Å; L112-L117 HydrophobicContact CG-CG 4.14Å; L112-L117 PolarHBondContact O-N 2.86Å
113	L	97.3	Very high	95.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.286	C	S	.	.	I	π-helix	trans	-59.4	-49.8	175.4	-71.3	165.7	0	0	0	111.3	I109 L110 L117 V118 P119 Y130 M133 K134	I109-L113 HydrophobicContact CD1-CD1 4.46Å; I109-L113 HydrophobicContact CD1-CG 4.2Å; I109-L113 HydrophobicContact CG1-CD1 3.87Å; I109-L113 HydrophobicContact CG1-CG 4.14Å; I109-L113 WeakPolarHBondContact O-CB 3.48Å; I109-L113 VanDerWaalsContact O-CG 3.22Å; I109-L113 WeakPolarHBondContact O-CG 3.36Å; I109-L113 PolarHBondContact O-N 3.44Å; L110-L113 PolarHBondContact O-N 2.69Å; L113-L117 HydrophobicContact CD2-CB 4.27Å; L113-L117 HydrophobicContact CD2-CD1 3.98Å; L113-L117 HydrophobicContact CG-CD1 4.5Å; L113-L117 PolarHBondContact O-N 2.96Å; L113-V118 HydrophobicContact CB-CG2 4.32Å; L113-V118 WeakPolarHBondContact O-CB 3.36Å; L113-V118 WeakPolarHBondContact O-CG2 3.38Å; L113-V118 PolarHBondContact O-N 3.44Å; L113-P119 WeakPolarHBondContact O-CD 3.37Å; L113-Y130 HydrophobicContact CD2-CD1 3.59Å; L113-Y130 HydrophobicContact CD2-CG 4.02Å; L113-M133 HydrophobicContact CD1-CB 4.45Å; L113-M133 HydrophobicContact CD1-CG 4.13Å; L113-M133 HydrophobicContact CD2-SD 4.26Å; L113-K134 HydrophobicContact CD1-CB 3.96Å
114	D	97	Very high	95.7	Very high	75 Å²	75	51.1 Å²	51.1	40%	0.401	28%	0.283	S	S	.	.	I	π-helix	trans	-72.6	-34.9	-174.7	-76.6	-8.9	0	0	0	113.5	L110 K111 P119 K134	L110-D114 WeakPolarHBondContact O-CB 3.22Å; L110-D114 PolarHBondContact O-N 2.66Å; K111-D114 PolarHBondContact O-N 2.85Å; D114-P119 WeakPolarHBondContact O-CG 3.37Å; D114-K134 WeakPolarHBondContact OD1-CD 3.29Å; D114-K134 VanDerWaalsContact OD1-CE 3.23Å; D114-K134 WeakPolarHBondContact OD1-CE 3.28Å; D114-K134 IonicContact OD1-NZ 3.81Å; D114-K134 PolarHBondContact OD1-NZ 3.27Å; D114-K134 IonicContact OD2-NZ 3.42Å; D114-K134 PolarHBondContact OD2-NZ 3.5Å
115	T	94.3	Very high	95.6	Very high	89 Å²	89	44.9 Å²	44.9	55%	0.546	26%	0.258	S	S	.	.	I	π-helix	trans	-91	-22.9	-174.6	59.4	0	0	0	0	113.8	K111	K111-T115 HydrophobicContact CG-CG2 4.33Å; K111-T115 WeakPolarHBondContact O-CB 3.45Å; K111-T115 WeakPolarHBondContact O-CG2 3.29Å; K111-T115 PolarHBondContact O-N 3.3Å; K111-T115 PolarHBondContact O-OG1 2.98Å
116	R	92.9	Very high	95.4	Very high	91 Å²	91	44 Å²	44	34%	0.343	25%	0.254	S	S	.	.	I	π-helix	trans	-135.2	-60.1	-172.2	-63.6	-171.1	176.7	-116.5	10.3	113.7	A38 E39 V41 L112 P119 A120	A38-R116 WeakPolarHBondContact O-CD 3.44Å; E39-R116 PolarHBondContact O-NH1 3.41Å; V41-R116 PolarHBondContact O-NH1 3.31Å; L112-R116 HydrophobicContact CD1-CB 4.43Å; L112-R116 PolarHBondContact O-N 3.17Å; R116-P119 WeakPolarHBondContact O-CD 3.45Å; R116-A120 WeakPolarHBondContact O-CB 3.37Å; R116-A120 PolarHBondContact O-N 3.3Å
117	L	95.7	Very high	95.4	Very high	9 Å²	9	47.2 Å²	47.2	5%	0.047	27%	0.268	C	S	.	.	I	π-helix	trans	-72.2	-48.5	-163.4	-55.8	172.8	0	0	0	112.8	A38 L46 L54 L112 L113 A120 S121 Y130	A38-L117 HydrophobicContact CB-CD2 4.23Å; L46-L117 HydrophobicContact CD1-CD2 3.67Å; L46-L117 HydrophobicContact CG-CD2 3.97Å; L54-L117 HydrophobicContact CD2-CD1 3.53Å; L112-L117 HydrophobicContact CD2-CD1 4Å; L112-L117 HydrophobicContact CG-CD1 3.85Å; L112-L117 HydrophobicContact CG-CG 4.14Å; L112-L117 PolarHBondContact O-N 2.86Å; L113-L117 HydrophobicContact CD2-CB 4.27Å; L113-L117 HydrophobicContact CD2-CD1 3.98Å; L113-L117 HydrophobicContact CG-CD1 4.5Å; L113-L117 PolarHBondContact O-N 2.96Å; L117-A120 PolarHBondContact O-N 3.45Å; L117-S121 PolarHBondContact O-N 3.44Å; L117-S121 PolarHBondContact O-OG 3.36Å; L117-Y130 HydrophobicContact CB-CD1 3.87Å; L117-Y130 HydrophobicContact CB-CD2 4.17Å; L117-Y130 HydrophobicContact CB-CE1 3.89Å; L117-Y130 HydrophobicContact CB-CE2 4.17Å; L117-Y130 HydrophobicContact CB-CG 4.01Å; L117-Y130 HydrophobicContact CD1-CD1 4.04Å; L117-Y130 HydrophobicContact CD1-CE1 3.78Å; L117-Y130 HydrophobicContact CD2-CE1 4.36Å; L117-Y130 HydrophobicContact CG-CE1 4.22Å
118	V	95.9	Very high	95.4	Very high	39 Å²	39	42.9 Å²	42.9	24%	0.236	24%	0.244	C	C	.	.	H	α-helix	trans	-64.3	-46.5	177.1	175.9	0	0	0	0	111	L113 A120 S121 L131	L113-V118 HydrophobicContact CB-CG2 4.32Å; L113-V118 WeakPolarHBondContact O-CB 3.36Å; L113-V118 WeakPolarHBondContact O-CG2 3.38Å; L113-V118 PolarHBondContact O-N 3.44Å; V118-A120 VanDerWaalsContact C-N 3.31Å; V118-A120 PolarHBondContact O-N 2.88Å; V118-S121 WeakPolarHBondContact O-CB 3.49Å; V118-S121 PolarHBondContact O-N 2.83Å; V118-L131 HydrophobicContact CG1-CD2 4.15Å; V118-L131 HydrophobicContact CG2-CD2 4.46Å
119	P	94.3	Very high	95.4	Very high	91 Å²	91	41.8 Å²	41.8	59%	0.591	23%	0.232	S	C	*	.	H	α-helix	trans	-60.5	-32.8	175.2	-26.9	35.3	0	0	0	115.4	L113 D114 R116	L113-P119 WeakPolarHBondContact O-CD 3.37Å; D114-P119 WeakPolarHBondContact O-CG 3.37Å; R116-P119 WeakPolarHBondContact O-CD 3.45Å
120	A	92.6	Very high	95.5	Very high	33 Å²	33	41.9 Å²	41.9	27%	0.273	23%	0.233	S	C	.	.	H	α-helix	trans	-82.1	-13.3	-179.5	0	0	0	0	0	113.8	R116 L117 V118 A122	R116-A120 WeakPolarHBondContact O-CB 3.37Å; R116-A120 PolarHBondContact O-N 3.3Å; L117-A120 PolarHBondContact O-N 3.45Å; V118-A120 VanDerWaalsContact C-N 3.31Å; V118-A120 PolarHBondContact O-N 2.88Å; A120-A122 PolarHBondContact O-N 3.14Å
121	S	93.1	Very high	95.5	Very high	8 Å²	8	42.4 Å²	42.4	6%	0.056	24%	0.235	C	C	.	.			trans	-69.1	116.1	-174.5	-60.8	0	0	0	0	112	L117 V118 K127 Y130	L117-S121 PolarHBondContact O-N 3.44Å; L117-S121 PolarHBondContact O-OG 3.36Å; V118-S121 WeakPolarHBondContact O-CB 3.49Å; V118-S121 PolarHBondContact O-N 2.83Å; S121-K127 WeakPolarHBondContact O-CE 3.34Å; S121-Y130 WeakPolarHBondContact OG-CD2 3.25Å
122	A	89.8	Confident	95.5	Very high	75 Å²	75	35.5 Å²	35.5	62%	0.62	21%	0.206	S	C	*	.			trans	-86.4	-46.6	-175.2	0	0	0	0	0	112.9	A120 K127	A120-A122 PolarHBondContact O-N 3.14Å; A122-K127 WeakPolarHBondContact O-CE 3.32Å; A122-K127 PolarHBondContact O-NZ 3.04Å
123	N	92.4	Very high	95.6	Very high	73 Å²	73	34.9 Å²	34.9	39%	0.39	20%	0.202	S	C	.	.	S	Bend	trans	-102.1	165.8	-172.6	64.1	56.8	0	0	0	112.6	D125 S126 K127	N123-D125 VanDerWaalsContact C-N 3.34Å; N123-D125 PolarHBondContact O-N 3.11Å; N123-D125 WeakPolarHBondContact OD1-CB 3.2Å; N123-D125 PolarHBondContact OD1-N 3.02Å; N123-D125 VanDerWaalsContact OD1-N 3.14Å; N123-S126 PolarHBondContact OD1-N 3.39Å; N123-S126 PolarHBondContact OD1-OG 3.25Å; N123-K127 VanDerWaalsContact O-CG 3.29Å; N123-K127 WeakPolarHBondContact O-CG 3.32Å; N123-K127 PolarHBondContact O-N 3.47Å; N123-K127 VanDerWaalsContact O-N 3.16Å
124	G	94.3	Very high	95.7	Very high	2 Å²	2	36.8 Å²	36.8	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-60	-39.1	178.5	0	0	0	0	0	114	S126 K127 V128 E171	G124-S126 PolarHBondContact O-N 2.97Å; G124-K127 PolarHBondContact O-N 3.45Å; G124-V128 WeakPolarHBondContact O-CB 3.46Å; G124-V128 WeakPolarHBondContact O-CG2 3.5Å; G124-V128 PolarHBondContact O-N 2.8Å; G124-E171 WeakPolarHBondContact CA-OE2 3.09Å; G124-E171 PolarHBondContact N-OE2 2.98Å
125	D	95	Very high	95.8	Very high	40 Å²	40	33.2 Å²	33.2	21%	0.214	19%	0.191	C	C	.	.	H	α-helix	trans	-55.1	-55.4	-179	-176.2	-84.9	0	0	0	111.5	R51 N123 V128 F129 L172 H176 I178	R51-D125 IonicContact CZ-OD1 2.99Å; R51-D125 IonicContact NH1-OD1 2.87Å; R51-D125 PolarHBondContact NH1-OD1 2.77Å; R51-D125 IonicContact NH2-OD1 3.96Å; N123-D125 VanDerWaalsContact C-N 3.34Å; N123-D125 PolarHBondContact O-N 3.11Å; N123-D125 WeakPolarHBondContact OD1-CB 3.2Å; N123-D125 PolarHBondContact OD1-N 3.02Å; N123-D125 VanDerWaalsContact OD1-N 3.14Å; D125-V128 PolarHBondContact O-N 2.65Å; D125-F129 WeakPolarHBondContact O-CB 3.37Å; D125-F129 PolarHBondContact O-N 3.49Å; D125-L172 HydrophobicContact CB-CD2 4.41Å; D125-H176 IonicContact OD2-CE1 2.95Å; D125-H176 PolarHBondContact OD2-CE1 2.74Å; D125-H176 IonicContact OD2-NE2 2.97Å; D125-H176 PolarHBondContact OD2-NE2 3.08Å; D125-I178 VanDerWaalsContact CG-CD1 3.5Å; D125-I178 WeakPolarHBondContact OD1-CD1 3.47Å; D125-I178 VanDerWaalsContact OD2-CD1 3.23Å; D125-I178 WeakPolarHBondContact OD2-CD1 3.32Å
126	S	95.9	Very high	96	Very high	8 Å²	8	29 Å²	29	6%	0.056	17%	0.165	C	C	.	.	H	α-helix	trans	-69.1	-38.3	178.9	-63.5	0	0	0	0	113.8	E45 N123 G124 V128 F129 Y130	E45-S126 WeakPolarHBondContact OE1-CB 3.35Å; E45-S126 PolarHBondContact OE1-OG 3.35Å; N123-S126 PolarHBondContact OD1-N 3.39Å; N123-S126 PolarHBondContact OD1-OG 3.25Å; G124-S126 PolarHBondContact O-N 2.97Å; S126-V128 VanDerWaalsContact C-N 3.34Å; S126-V128 PolarHBondContact O-N 2.73Å; S126-F129 WeakPolarHBondContact O-CB 3.44Å; S126-F129 PolarHBondContact O-N 3.24Å; S126-Y130 WeakPolarHBondContact O-CD2 3.13Å; S126-Y130 PolarHBondContact O-N 2.9Å
127	K	97.4	Very high	96.2	Very high	67 Å²	67	24.7 Å²	24.7	29%	0.291	15%	0.149	S	C	.	.	H	α-helix	trans	-60.2	-47.1	177.1	-75.9	174.6	-171.5	165.2	0	110.8	S121 A122 N123 G124 F129 L131 I167	S121-K127 WeakPolarHBondContact O-CE 3.34Å; A122-K127 WeakPolarHBondContact O-CE 3.32Å; A122-K127 PolarHBondContact O-NZ 3.04Å; N123-K127 VanDerWaalsContact O-CG 3.29Å; N123-K127 WeakPolarHBondContact O-CG 3.32Å; N123-K127 PolarHBondContact O-N 3.47Å; N123-K127 VanDerWaalsContact O-N 3.16Å; G124-K127 PolarHBondContact O-N 3.45Å; K127-F129 VanDerWaalsContact C-N 3.34Å; K127-L131 VanDerWaalsContact O-CB 3.25Å; K127-L131 WeakPolarHBondContact O-CB 3.26Å; K127-L131 WeakPolarHBondContact O-CD1 3.43Å; K127-L131 WeakPolarHBondContact O-CG 3.22Å; K127-L131 PolarHBondContact O-N 2.93Å; K127-I167 HydrophobicContact CB-CD1 4.02Å; K127-I167 HydrophobicContact CD-CD1 4.26Å
128	V	98.4	Very high	96.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.1	-43.7	178	179.5	0	0	0	0	109.7	G124 D125 S126 Y130 K132 A164 I167 A168 L172 I178 L182	G124-V128 WeakPolarHBondContact O-CB 3.46Å; G124-V128 WeakPolarHBondContact O-CG2 3.5Å; G124-V128 PolarHBondContact O-N 2.8Å; D125-V128 PolarHBondContact O-N 2.65Å; S126-V128 VanDerWaalsContact C-N 3.34Å; S126-V128 PolarHBondContact O-N 2.73Å; V128-Y130 PolarHBondContact O-N 2.93Å; V128-K132 WeakPolarHBondContact O-CB 3.32Å; V128-K132 PolarHBondContact O-N 3.24Å; V128-A164 HydrophobicContact CG1-CB 4.32Å; V128-I167 HydrophobicContact CG2-CB 3.82Å; V128-I167 HydrophobicContact CG2-CG2 3.64Å; V128-A168 HydrophobicContact CG1-CB 3.9Å; V128-A168 HydrophobicContact CG2-CB 3.86Å; V128-L172 HydrophobicContact CB-CD1 4.03Å; V128-L172 HydrophobicContact CG1-CD1 4.14Å; V128-L172 HydrophobicContact CG2-CD1 3.89Å; V128-I178 HydrophobicContact CB-CG2 4.08Å; V128-I178 HydrophobicContact CG1-CG2 3.64Å; V128-L182 HydrophobicContact CG1-CD2 4.11Å
129	F	97.7	Very high	96.5	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.018	14%	0.14	C	C	.	.	H	α-helix	trans	-54	-55.6	176.6	-177.4	-84.4	0	0	0	112.3	R51 D125 S126 K127 K132 M133 I178 I267	R51-F129 VanDerWaalsContact CD-CD1 3.45Å; R51-F129 HydrophobicContact CG-CD1 3.62Å; R51-F129 HydrophobicContact CG-CD2 4.43Å; R51-F129 HydrophobicContact CG-CE1 3.23Å; R51-F129 HydrophobicContact CG-CE2 4.09Å; R51-F129 HydrophobicContact CG-CG 4.21Å; R51-F129 HydrophobicContact CG-CZ 3.48Å; R51-F129 VanDerWaalsContact CG-CZ 3.48Å; D125-F129 WeakPolarHBondContact O-CB 3.37Å; D125-F129 PolarHBondContact O-N 3.49Å; S126-F129 WeakPolarHBondContact O-CB 3.44Å; S126-F129 PolarHBondContact O-N 3.24Å; K127-F129 VanDerWaalsContact C-N 3.34Å; F129-K132 PolarHBondContact O-N 2.98Å; F129-M133 HydrophobicContact CE1-CE 3.84Å; F129-M133 HydrophobicContact CZ-CE 4.03Å; F129-M133 WeakPolarHBondContact O-CB 3.48Å; F129-M133 PolarHBondContact O-N 3.14Å; F129-I178 HydrophobicContact CB-CD1 4.27Å; F129-I178 HydrophobicContact CB-CG2 4.44Å; F129-I178 HydrophobicContact CD2-CD1 4.24Å; F129-I267 WeakPolarHBondContact CD2-O 3.17Å; F129-I267 VanDerWaalsContact CE2-C 3.47Å; F129-I267 VanDerWaalsContact CE2-O 3.23Å; F129-I267 WeakPolarHBondContact CE2-O 3.42Å; F129-I267 WeakPolarHBondContact CE2-OXT 3.41Å
130	Y	98.2	Very high	96.7	Very high	1 Å²	1	19.9 Å²	19.9	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-74	-33.3	-175.3	-66.3	-57.8	0	0	0	113	R51 L113 L117 S121 S126 V128 M133 K134	R51-Y130 HydrophobicContact CG-CE1 3.98Å; L113-Y130 HydrophobicContact CD2-CD1 3.59Å; L113-Y130 HydrophobicContact CD2-CG 4.02Å; L117-Y130 HydrophobicContact CB-CD1 3.87Å; L117-Y130 HydrophobicContact CB-CD2 4.17Å; L117-Y130 HydrophobicContact CB-CE1 3.89Å; L117-Y130 HydrophobicContact CB-CE2 4.17Å; L117-Y130 HydrophobicContact CB-CG 4.01Å; L117-Y130 HydrophobicContact CD1-CD1 4.04Å; L117-Y130 HydrophobicContact CD1-CE1 3.78Å; L117-Y130 HydrophobicContact CD2-CE1 4.36Å; L117-Y130 HydrophobicContact CG-CE1 4.22Å; S121-Y130 WeakPolarHBondContact OG-CD2 3.25Å; S126-Y130 WeakPolarHBondContact O-CD2 3.13Å; S126-Y130 PolarHBondContact O-N 2.9Å; V128-Y130 PolarHBondContact O-N 2.93Å; Y130-M133 PolarHBondContact O-N 3.39Å; Y130-K134 WeakPolarHBondContact O-CB 3.44Å; Y130-K134 PolarHBondContact O-N 3.47Å
131	L	98.7	Very high	97	Very high	23 Å²	23	19 Å²	19	12%	0.12	11%	0.106	C	C	.	.	H	α-helix	trans	-69.3	-38.2	174	-72	169.7	0	0	0	111.8	V118 K127 K134 G135 A163 A164 I167	V118-L131 HydrophobicContact CG1-CD2 4.15Å; V118-L131 HydrophobicContact CG2-CD2 4.46Å; K127-L131 VanDerWaalsContact O-CB 3.25Å; K127-L131 WeakPolarHBondContact O-CB 3.26Å; K127-L131 WeakPolarHBondContact O-CD1 3.43Å; K127-L131 WeakPolarHBondContact O-CG 3.22Å; K127-L131 PolarHBondContact O-N 2.93Å; L131-K134 WeakPolarHBondContact O-CB 3.4Å; L131-K134 PolarHBondContact O-N 3.13Å; L131-G135 PolarHBondContact O-N 3.34Å; L131-A163 HydrophobicContact CD1-CB 4.07Å; L131-A163 HydrophobicContact CD2-CB 4.48Å; L131-A164 HydrophobicContact CB-CB 3.71Å; L131-I167 HydrophobicContact CD1-CD1 3.76Å
132	K	98.4	Very high	97.3	Very high	5 Å²	5	18.6 Å²	18.6	2%	0.022	10%	0.103	C	C	.	.	H	α-helix	trans	-59.4	-52	171.1	179.1	-164.7	169.4	-62.1	0	110	V128 F129 K134 G135 D136 Y161 G181 L182 N185 E266	V128-K132 WeakPolarHBondContact O-CB 3.32Å; V128-K132 PolarHBondContact O-N 3.24Å; F129-K132 PolarHBondContact O-N 2.98Å; K132-K134 VanDerWaalsContact C-N 3.29Å; K132-K134 PolarHBondContact O-N 3.05Å; K132-G135 CarbonylContact O-C 3.58Å; K132-G135 WeakPolarHBondContact O-CA 3.29Å; K132-G135 PolarHBondContact O-N 3.43Å; K132-D136 IonicContact NZ-OD2 3.63Å; K132-D136 PolarHBondContact NZ-OD2 2.98Å; K132-D136 PolarHBondContact O-N 2.69Å; K132-Y161 HydrophobicContact CG-CE1 4.38Å; K132-Y161 WeakPolarHBondContact O-CE1 3.49Å; K132-G181 VanDerWaalsContact CE-O 3.25Å; K132-G181 WeakPolarHBondContact CE-O 3.49Å; K132-L182 HydrophobicContact CB-CD1 4.12Å; K132-L182 HydrophobicContact CD-CB 4.16Å; K132-L182 HydrophobicContact CG-CB 4.26Å; K132-L182 HydrophobicContact CG-CD1 4.01Å; K132-N185 PolarHBondContact NZ-ND2 3.44Å; K132-E266 IonicContact NZ-OE1 3.01Å; K132-E266 PolarHBondContact NZ-OE1 3.3Å
133	M	98.4	Very high	97.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-56.7	-43.2	176.9	-175.1	177.5	-84.5	0	0	111.4	I109 L113 F129 Y130 G135 D136 Y137	I109-M133 HydrophobicContact CD1-SD 4.05Å; I109-M133 HydrophobicContact CG1-SD 4.03Å; L113-M133 HydrophobicContact CD1-CB 4.45Å; L113-M133 HydrophobicContact CD1-CG 4.13Å; L113-M133 HydrophobicContact CD2-SD 4.26Å; F129-M133 HydrophobicContact CE1-CE 3.84Å; F129-M133 HydrophobicContact CZ-CE 4.03Å; F129-M133 WeakPolarHBondContact O-CB 3.48Å; F129-M133 PolarHBondContact O-N 3.14Å; Y130-M133 PolarHBondContact O-N 3.39Å; M133-G135 VanDerWaalsContact C-N 3.32Å; M133-G135 PolarHBondContact O-N 2.93Å; M133-D136 WeakPolarHBondContact O-CB 3.06Å; M133-D136 PolarHBondContact O-N 3.04Å; M133-D136 VanDerWaalsContact O-N 3.13Å; M133-Y137 HydrophobicContact CG-CD2 3.8Å; M133-Y137 HydrophobicContact CG-CE2 3.72Å; M133-Y137 VanDerWaalsContact O-CD2 3.29Å; M133-Y137 WeakPolarHBondContact O-CD2 3.42Å; M133-Y137 PolarHBondContact O-N 3.44Å; M133-Y137 HydrophobicContact SD-CE2 4.44Å
134	K	98.7	Very high	97.9	Very high	39 Å²	39	13.7 Å²	13.7	17%	0.17	7%	0.065	C	C	.	.	H	α-helix	trans	-56.6	-45.4	174	-176.3	173	-177.4	171.5	0	112	L110 L113 D114 Y130 L131 K132 D136 H138 A160	L110-K134 HydrophobicContact CD2-CG 3.84Å; L113-K134 HydrophobicContact CD1-CB 3.96Å; D114-K134 WeakPolarHBondContact OD1-CD 3.29Å; D114-K134 VanDerWaalsContact OD1-CE 3.23Å; D114-K134 WeakPolarHBondContact OD1-CE 3.28Å; D114-K134 IonicContact OD1-NZ 3.81Å; D114-K134 PolarHBondContact OD1-NZ 3.27Å; D114-K134 IonicContact OD2-NZ 3.42Å; D114-K134 PolarHBondContact OD2-NZ 3.5Å; Y130-K134 WeakPolarHBondContact O-CB 3.44Å; Y130-K134 PolarHBondContact O-N 3.47Å; L131-K134 WeakPolarHBondContact O-CB 3.4Å; L131-K134 PolarHBondContact O-N 3.13Å; K132-K134 VanDerWaalsContact C-N 3.29Å; K132-K134 PolarHBondContact O-N 3.05Å; K134-D136 VanDerWaalsContact C-N 3.35Å; K134-H138 PolarHBondContact O-CD2 2.94Å; K134-H138 VanDerWaalsContact O-CD2 3.3Å; K134-H138 PolarHBondContact O-N 2.94Å; K134-H138 VanDerWaalsContact O-N 3.14Å; K134-A160 HydrophobicContact CB-CB 4.2Å; K134-A160 HydrophobicContact CD-CB 4.38Å; K134-A160 HydrophobicContact CG-CB 4.08Å
135	G	98.8	Very high	98	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60	-44	174.7	0	0	0	0	0	112.2	L131 K132 M133 Y137 H138 R139 T157	L131-G135 PolarHBondContact O-N 3.34Å; K132-G135 CarbonylContact O-C 3.58Å; K132-G135 WeakPolarHBondContact O-CA 3.29Å; K132-G135 PolarHBondContact O-N 3.43Å; M133-G135 VanDerWaalsContact C-N 3.32Å; M133-G135 PolarHBondContact O-N 2.93Å; G135-Y137 PolarHBondContact O-N 3.2Å; G135-H138 PolarHBondContact O-N 3.06Å; G135-R139 WeakPolarHBondContact O-CB 3.35Å; G135-R139 PolarHBondContact O-N 2.68Å; G135-T157 WeakPolarHBondContact O-CG2 3.43Å
136	D	98.6	Very high	98.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.9	-46.1	178.8	-69	-42.7	0	0	0	112.6	K132 M133 K134 R139 Y140 Y161 N185	K132-D136 IonicContact NZ-OD2 3.63Å; K132-D136 PolarHBondContact NZ-OD2 2.98Å; K132-D136 PolarHBondContact O-N 2.69Å; M133-D136 WeakPolarHBondContact O-CB 3.06Å; M133-D136 PolarHBondContact O-N 3.04Å; M133-D136 VanDerWaalsContact O-N 3.13Å; K134-D136 VanDerWaalsContact C-N 3.35Å; D136-R139 WeakPolarHBondContact O-CB 3.35Å; D136-R139 PolarHBondContact O-N 2.95Å; D136-R139 IonicContact OD1-CZ 2.65Å; D136-R139 IonicContact OD1-NE 2.77Å; D136-R139 IonicContact OD1-NH2 3.48Å; D136-R139 PolarHBondContact OD1-NH2 3.26Å; D136-Y140 HydrophobicContact CB-CE2 4.21Å; D136-Y140 WeakPolarHBondContact O-CD1 3.45Å; D136-Y140 VanDerWaalsContact O-CD2 3.24Å; D136-Y140 WeakPolarHBondContact O-CD2 3.31Å; D136-Y140 PolarHBondContact O-N 2.88Å; D136-Y161 WeakPolarHBondContact CA-OH 3.3Å; D136-Y161 PolarHBondContact N-OH 2.94Å; D136-Y161 PolarHBondContact OD1-OH 3.05Å; D136-N185 WeakPolarHBondContact OD1-CB 3.37Å; D136-N185 PolarHBondContact OD1-ND2 2.97Å; D136-N185 PolarHBondContact OD2-ND2 2.99Å
137	Y	98.7	Very high	98.2	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-72.1	-34.2	-179.9	-78.3	-84.3	0	0	0	113.4	Y58 I62 I105 C106 I109 M133 G135 R139 Y140 L141	Y58-Y137 VanDerWaalsContact CB-OH 3.3Å; Y58-Y137 WeakPolarHBondContact CB-OH 3.39Å; Y58-Y137 PolarHBondContact O-OH 3.01Å; I62-Y137 HydrophobicContact CB-CE1 3.98Å; I62-Y137 HydrophobicContact CD1-CE1 4.26Å; I62-Y137 HydrophobicContact CG1-CE1 3.96Å; I62-Y137 HydrophobicContact CG2-CE1 4.05Å; I105-Y137 HydrophobicContact CG2-CE1 4.45Å; C106-Y137 HydrophobicContact CB-CD1 4.25Å; I109-Y137 HydrophobicContact CG1-CD2 4.3Å; I109-Y137 HydrophobicContact CG1-CE2 4.28Å; I109-Y137 HydrophobicContact CG2-CD1 3.36Å; I109-Y137 HydrophobicContact CG2-CD2 3.62Å; I109-Y137 HydrophobicContact CG2-CE1 3.68Å; I109-Y137 HydrophobicContact CG2-CE2 3.96Å; I109-Y137 HydrophobicContact CG2-CG 3.34Å; M133-Y137 HydrophobicContact CG-CD2 3.8Å; M133-Y137 HydrophobicContact CG-CE2 3.72Å; M133-Y137 VanDerWaalsContact O-CD2 3.29Å; M133-Y137 WeakPolarHBondContact O-CD2 3.42Å; M133-Y137 PolarHBondContact O-N 3.44Å; M133-Y137 HydrophobicContact SD-CE2 4.44Å; G135-Y137 PolarHBondContact O-N 3.2Å; Y137-R139 VanDerWaalsContact C-N 3.32Å; Y137-Y140 AromaticContact CD1-CD2 3.85Å; Y137-Y140 HydrophobicContact CD1-CD2 3.85Å; Y137-Y140 HydrophobicContact CD1-CE2 4.25Å; Y137-Y140 HydrophobicContact CE1-CD2 4.09Å; Y137-Y140 HydrophobicContact CE1-CE2 4.18Å; Y137-Y140 HydrophobicContact CE2-CE2 4.46Å; Y137-Y140 HydrophobicContact CG-CD2 4.21Å; Y137-Y140 HydrophobicContact CG-CE2 4.43Å; Y137-Y140 PolarHBondContact O-N 2.85Å; Y137-L141 WeakPolarHBondContact O-CG 3.47Å; Y137-L141 PolarHBondContact O-N 3.26Å
138	H	98.8	Very high	98.3	Very high	19 Å²	19	23.4 Å²	23.4	9%	0.088	13%	0.13	C	C	.	.	H	α-helix	trans	-66.7	-35.2	168.8	-80.2	-64.1	0	0	0	112.3	K134 G135 L141 A142 H156 T157	K134-H138 PolarHBondContact O-CD2 2.94Å; K134-H138 VanDerWaalsContact O-CD2 3.3Å; K134-H138 PolarHBondContact O-N 2.94Å; K134-H138 VanDerWaalsContact O-N 3.14Å; G135-H138 PolarHBondContact O-N 3.06Å; H138-L141 WeakPolarHBondContact O-CB 3.45Å; H138-L141 PolarHBondContact O-N 2.83Å; H138-A142 PolarHBondContact O-N 2.79Å; H138-H156 HydrophobicContact CB-CB 4.19Å; H138-H156 AromaticContact CE1-CD2 3.91Å; H138-H156 AromaticContact CE1-CG 3.85Å; H138-T157 VanDerWaalsContact CB-OG1 3.28Å; H138-T157 WeakPolarHBondContact CB-OG1 3.38Å; H138-T157 PolarHBondContact O-OG1 2.95Å
139	R	98.7	Very high	98.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.9	-44.9	175.4	178.5	168.5	52	85.4	11	110.8	G135 D136 Y137 L141 A142 E143 T157 Y161 F189 I193 E263	G135-R139 WeakPolarHBondContact O-CB 3.35Å; G135-R139 PolarHBondContact O-N 2.68Å; D136-R139 WeakPolarHBondContact O-CB 3.35Å; D136-R139 PolarHBondContact O-N 2.95Å; D136-R139 IonicContact OD1-CZ 2.65Å; D136-R139 IonicContact OD1-NE 2.77Å; D136-R139 IonicContact OD1-NH2 3.48Å; D136-R139 PolarHBondContact OD1-NH2 3.26Å; Y137-R139 VanDerWaalsContact C-N 3.32Å; R139-L141 VanDerWaalsContact C-N 3.27Å; R139-L141 PolarHBondContact O-N 2.87Å; R139-A142 WeakPolarHBondContact O-CA 3.34Å; R139-A142 WeakPolarHBondContact O-CB 3.47Å; R139-A142 PolarHBondContact O-N 2.72Å; R139-E143 IonicContact NH1-OE1 3.19Å; R139-E143 PolarHBondContact O-N 2.8Å; R139-E143 VanDerWaalsContact O-N 3.13Å; R139-T157 WeakPolarHBondContact CA-OG1 3.08Å; R139-T157 HydrophobicContact CB-CG2 3.81Å; R139-T157 PolarHBondContact N-OG1 3.25Å; R139-Y161 PolarHBondContact NE-OH 3.35Å; R139-F189 HydrophobicContact CG-CD2 4.24Å; R139-I193 HydrophobicContact CG-CG1 3.96Å; R139-E263 IonicContact CZ-OE1 3.09Å; R139-E263 IonicContact CZ-OE2 3.83Å; R139-E263 IonicContact NE-OE1 2.67Å; R139-E263 VanDerWaalsContact NH1-CD 3.3Å; R139-E263 IonicContact NH1-OE1 2.79Å; R139-E263 PolarHBondContact NH1-OE1 3.32Å; R139-E263 IonicContact NH1-OE2 3.4Å; R139-E263 PolarHBondContact NH1-OE2 3.24Å; R139-E263 IonicContact NH2-OE1 3.34Å; R139-E263 PolarHBondContact NH2-OE1 2.75Å; R139-E263 IonicContact NH2-OE2 2.92Å; R139-E263 PolarHBondContact NH2-OE2 3.16Å
140	Y	98.5	Very high	98.3	Very high	19 Å²	19	33.5 Å²	33.5	8%	0.075	17%	0.172	C	C	.	.	H	α-helix	trans	-59.5	-38.8	176.4	-56.7	-28.1	0	0	0	111.9	I62 R66 D136 Y137 E143 F144	I62-Y140 HydrophobicContact CG1-CD2 3.8Å; I62-Y140 HydrophobicContact CG1-CE2 4.27Å; I62-Y140 HydrophobicContact CG1-CG 4.5Å; I62-Y140 HydrophobicContact CG2-CD2 4.37Å; I62-Y140 HydrophobicContact CG2-CE2 3.99Å; R66-Y140 VanDerWaalsContact CZ-CD1 3.41Å; D136-Y140 HydrophobicContact CB-CE2 4.21Å; D136-Y140 WeakPolarHBondContact O-CD1 3.45Å; D136-Y140 VanDerWaalsContact O-CD2 3.24Å; D136-Y140 WeakPolarHBondContact O-CD2 3.31Å; D136-Y140 PolarHBondContact O-N 2.88Å; Y137-Y140 AromaticContact CD1-CD2 3.85Å; Y137-Y140 HydrophobicContact CD1-CD2 3.85Å; Y137-Y140 HydrophobicContact CD1-CE2 4.25Å; Y137-Y140 HydrophobicContact CE1-CD2 4.09Å; Y137-Y140 HydrophobicContact CE1-CE2 4.18Å; Y137-Y140 HydrophobicContact CE2-CE2 4.46Å; Y137-Y140 HydrophobicContact CG-CD2 4.21Å; Y137-Y140 HydrophobicContact CG-CE2 4.43Å; Y137-Y140 PolarHBondContact O-N 2.85Å; Y140-E143 WeakPolarHBondContact CD1-OE1 3.47Å; Y140-E143 WeakPolarHBondContact O-CB 3.24Å; Y140-E143 PolarHBondContact O-N 3.05Å; Y140-F144 WeakPolarHBondContact O-CD1 3.36Å; Y140-F144 WeakPolarHBondContact O-CE1 3.38Å
141	L	98.7	Very high	98.3	Very high	15 Å²	15	39.9 Å²	39.9	8%	0.079	20%	0.2	C	C	.	.	H	α-helix	trans	-61	-43.8	171.1	-69	172.7	0	0	0	111.5	C106 L110 Y137 H138 R139 E143 F144 K145 A153	C106-L141 HydrophobicContact CB-CD1 4.07Å; C106-L141 HydrophobicContact CB-CD2 3.74Å; C106-L141 HydrophobicContact CB-CG 3.78Å; L110-L141 HydrophobicContact CD1-CD1 3.82Å; Y137-L141 WeakPolarHBondContact O-CG 3.47Å; Y137-L141 PolarHBondContact O-N 3.26Å; H138-L141 WeakPolarHBondContact O-CB 3.45Å; H138-L141 PolarHBondContact O-N 2.83Å; R139-L141 VanDerWaalsContact C-N 3.27Å; R139-L141 PolarHBondContact O-N 2.87Å; L141-E143 PolarHBondContact O-N 2.73Å; L141-F144 HydrophobicContact CD2-CE1 4.2Å; L141-F144 HydrophobicContact CD2-CZ 3.76Å; L141-F144 PolarHBondContact O-N 3.25Å; L141-K145 HydrophobicContact CB-CG 4.37Å; L141-K145 WeakPolarHBondContact O-CB 3.23Å; L141-K145 WeakPolarHBondContact O-CG 3.22Å; L141-K145 PolarHBondContact O-N 2.99Å; L141-A153 HydrophobicContact CB-CB 3.89Å
142	A	98.5	Very high	98.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.3	-18.4	-179.8	0	0	0	0	0	114.3	H138 R139 A153 A154 I193	H138-A142 PolarHBondContact O-N 2.79Å; R139-A142 WeakPolarHBondContact O-CA 3.34Å; R139-A142 WeakPolarHBondContact O-CB 3.47Å; R139-A142 PolarHBondContact O-N 2.72Å; A142-A153 HydrophobicContact CB-CB 3.85Å; A142-A154 HydrophobicContact CB-CB 4.45Å; A142-I193 HydrophobicContact CB-CD1 4.37Å; A142-I193 HydrophobicContact CB-CG2 3.88Å
143	E	97.6	Very high	98.3	Very high	34 Å²	34	41.8 Å²	41.8	16%	0.159	21%	0.212	C	C	.	.	H	α-helix	trans	-67.2	-41.5	177.1	-72.1	170.9	-155.8	0	0	112.7	R66 W69 R70 R139 Y140 L141 I193	R66-E143 IonicContact CZ-OE1 3.88Å; R66-E143 IonicContact CZ-OE2 3.47Å; R66-E143 IonicContact NE-OE1 3.29Å; R66-E143 PolarHBondContact NE-OE1 3.44Å; R66-E143 IonicContact NE-OE2 2.71Å; R66-E143 PolarHBondContact NE-OE2 3.32Å; R66-E143 VanDerWaalsContact NH2-CD 3.29Å; R66-E143 IonicContact NH2-OE1 3.64Å; R66-E143 PolarHBondContact NH2-OE1 3.39Å; R66-E143 IonicContact NH2-OE2 3.77Å; R66-E143 PolarHBondContact NH2-OE2 3.06Å; R66-E143 VanDerWaalsContact NH2-OE2 3.12Å; W69-E143 HydrophobicContact CH2-CB 4.37Å; W69-E143 WeakPolarHBondContact CH2-O 2.99Å; W69-E143 HydrophobicContact CZ3-CB 4.32Å; R70-E143 IonicContact NH2-OE2 3.3Å; R70-E143 PolarHBondContact NH2-OE2 2.74Å; R139-E143 IonicContact NH1-OE1 3.19Å; R139-E143 PolarHBondContact O-N 2.8Å; R139-E143 VanDerWaalsContact O-N 3.13Å; Y140-E143 WeakPolarHBondContact CD1-OE1 3.47Å; Y140-E143 WeakPolarHBondContact O-CB 3.24Å; Y140-E143 PolarHBondContact O-N 3.05Å; L141-E143 PolarHBondContact O-N 2.73Å; E143-I193 HydrophobicContact CG-CD1 3.9Å
144	F	97.2	Very high	98.3	Very high	11 Å²	11	42.6 Å²	42.6	5%	0.048	22%	0.218	C	C	.	.	H	α-helix	trans	-117.2	-21.2	-170.8	68.8	-94.3	0	0	0	114	W69 E99 L102 S103 Y140 L141	W69-F144 HydrophobicContact CD2-CB 4.16Å; W69-F144 HydrophobicContact CH2-CB 3.92Å; W69-F144 HydrophobicContact CZ2-CB 3.28Å; E99-F144 HydrophobicContact CB-CD2 3.7Å; E99-F144 HydrophobicContact CB-CE2 3.86Å; E99-F144 HydrophobicContact CG-CB 4.2Å; E99-F144 HydrophobicContact CG-CD2 3.6Å; E99-F144 HydrophobicContact CG-CE2 4.27Å; E99-F144 HydrophobicContact CG-CG 4.11Å; E99-F144 WeakPolarHBondContact O-CE2 3.43Å; L102-F144 HydrophobicContact CB-CD1 4.45Å; L102-F144 HydrophobicContact CB-CE1 3.65Å; L102-F144 HydrophobicContact CB-CE2 4.46Å; L102-F144 HydrophobicContact CB-CZ 3.65Å; L102-F144 HydrophobicContact CD1-CD1 3.87Å; L102-F144 HydrophobicContact CD1-CE1 3.91Å; L102-F144 HydrophobicContact CD1-CG 4.41Å; L102-F144 HydrophobicContact CD1-CZ 4.48Å; L102-F144 HydrophobicContact CG-CE1 4.35Å; S103-F144 WeakPolarHBondContact OG-CE2 3.48Å; S103-F144 WeakPolarHBondContact OG-CZ 3.42Å; Y140-F144 WeakPolarHBondContact O-CD1 3.36Å; Y140-F144 WeakPolarHBondContact O-CE1 3.38Å; L141-F144 HydrophobicContact CD2-CE1 4.2Å; L141-F144 HydrophobicContact CD2-CZ 3.76Å; L141-F144 PolarHBondContact O-N 3.25Å
145	K	98.2	Very high	98.3	Very high	47 Å²	47	46.8 Å²	46.8	20%	0.204	24%	0.238	C	C	.	.			trans	-65.5	158.9	174.1	-68.8	-65.9	-164.3	161.3	0	110.9	S103 L141 E149 R150	S103-K145 WeakPolarHBondContact OG-CE 3.37Å; L141-K145 HydrophobicContact CB-CG 4.37Å; L141-K145 WeakPolarHBondContact O-CB 3.23Å; L141-K145 WeakPolarHBondContact O-CG 3.22Å; L141-K145 PolarHBondContact O-N 2.99Å; K145-E149 HydrophobicContact CB-CB 4.04Å; K145-E149 HydrophobicContact CD-CB 4.18Å; K145-E149 WeakPolarHBondContact CD-OE2 3.49Å; K145-E149 HydrophobicContact CG-CB 4.31Å; K145-E149 IonicContact NZ-OE1 2.66Å; K145-E149 PolarHBondContact NZ-OE1 2.98Å; K145-E149 IonicContact NZ-OE2 2.59Å; K145-E149 PolarHBondContact NZ-OE2 3.1Å; K145-R150 HydrophobicContact CB-CB 4.33Å; K145-R150 WeakPolarHBondContact O-CB 3.46Å; K145-R150 WeakPolarHBondContact O-CD 3.4Å
146	T	97	Very high	98.3	Very high	102 Å²	102	51.2 Å²	51.2	63%	0.626	26%	0.259	S	S	*	.			trans	-129.8	169	-179.4	64.5	0	0	0	0	111.4	Q148 E149 R150	T146-Q148 PolarHBondContact O-N 3.06Å; T146-E149 PolarHBondContact O-N 3.24Å; T146-R150 PolarHBondContact O-N 3.04Å
147	G	97.6	Very high	98.3	Very high	56 Å²	56	51.2 Å²	51.2	58%	0.577	26%	0.259	S	S	*	.	H	α-helix	trans	58.5	-129.9	174.4	0	0	0	0	0	113.6
148	Q	98.2	Very high	98.3	Very high	115 Å²	115	53.2 Å²	53.2	54%	0.537	27%	0.27	S	S	.	.	H	α-helix	trans	-70.9	-40	-178.5	-169.9	59.7	39.8	0	0	112.1	T146 R150 K151 D152	T146-Q148 PolarHBondContact O-N 3.06Å; Q148-R150 PolarHBondContact O-N 2.77Å; Q148-K151 WeakPolarHBondContact O-CB 3.37Å; Q148-K151 PolarHBondContact O-N 3.48Å; Q148-D152 PolarHBondContact NE2-OD1 3.09Å; Q148-D152 VanDerWaalsContact O-CG 3.29Å; Q148-D152 PolarHBondContact O-N 3.13Å
149	E	98.1	Very high	98.3	Very high	103 Å²	103	56.3 Å²	56.3	48%	0.481	29%	0.29	S	S	.	.	H	α-helix	trans	-58	-39	179.6	-62.8	-176.3	114.3	0	0	111.8	K145 T146 A153	K145-E149 HydrophobicContact CB-CB 4.04Å; K145-E149 HydrophobicContact CD-CB 4.18Å; K145-E149 WeakPolarHBondContact CD-OE2 3.49Å; K145-E149 HydrophobicContact CG-CB 4.31Å; K145-E149 IonicContact NZ-OE1 2.66Å; K145-E149 PolarHBondContact NZ-OE1 2.98Å; K145-E149 IonicContact NZ-OE2 2.59Å; K145-E149 PolarHBondContact NZ-OE2 3.1Å; T146-E149 PolarHBondContact O-N 3.24Å; E149-A153 VanDerWaalsContact O-CB 3.29Å; E149-A153 WeakPolarHBondContact O-CB 3.44Å; E149-A153 PolarHBondContact O-N 3.35Å
150	R	98.3	Very high	98.3	Very high	113 Å²	113	56.6 Å²	56.6	43%	0.426	29%	0.292	S	S	.	.	H	α-helix	trans	-63.1	-42.3	174.9	-174.2	175.6	170.5	-171.3	-4.3	112.3	K145 T146 Q148 A154	K145-R150 HydrophobicContact CB-CB 4.33Å; K145-R150 WeakPolarHBondContact O-CB 3.46Å; K145-R150 WeakPolarHBondContact O-CD 3.4Å; T146-R150 PolarHBondContact O-N 3.04Å; Q148-R150 PolarHBondContact O-N 2.77Å; R150-A154 WeakPolarHBondContact O-CB 3.44Å; R150-A154 PolarHBondContact O-N 3.41Å
151	K	98.4	Very high	98.3	Very high	135 Å²	135	55.7 Å²	55.7	59%	0.587	29%	0.288	S	S	*	.	H	α-helix	trans	-65.7	-45.6	-179.7	-69	178.3	-178.6	178.7	0	110.7	Q148 A153 A154 E155	Q148-K151 WeakPolarHBondContact O-CB 3.37Å; Q148-K151 PolarHBondContact O-N 3.48Å; K151-A153 VanDerWaalsContact C-N 3.35Å; K151-A153 PolarHBondContact O-N 3.08Å; K151-A154 PolarHBondContact O-N 3.06Å; K151-E155 PolarHBondContact O-N 3.41Å
152	D	98.6	Very high	98.3	Very high	63 Å²	63	59.9 Å²	59.9	34%	0.337	31%	0.306	S	S	.	.	H	α-helix	trans	-61.8	-45.2	178.2	-60.4	-16.7	0	0	0	110.4	Q148 A154 E155 H156	Q148-D152 PolarHBondContact NE2-OD1 3.09Å; Q148-D152 VanDerWaalsContact O-CG 3.29Å; Q148-D152 PolarHBondContact O-N 3.13Å; D152-A154 PolarHBondContact O-N 3.48Å; D152-E155 PolarHBondContact O-N 3.15Å; D152-H156 WeakPolarHBondContact O-CB 3.3Å; D152-H156 PolarHBondContact O-CD2 3.34Å; D152-H156 PolarHBondContact O-N 3.48Å
153	A	98.6	Very high	98.3	Very high	6 Å²	6	61.7 Å²	61.7	5%	0.05	32%	0.321	C	S	.	.	H	α-helix	trans	-60	-43.6	175.5	0	0	0	0	0	112.4	L141 A142 E149 K151 H156 T157	L141-A153 HydrophobicContact CB-CB 3.89Å; A142-A153 HydrophobicContact CB-CB 3.85Å; E149-A153 VanDerWaalsContact O-CB 3.29Å; E149-A153 WeakPolarHBondContact O-CB 3.44Å; E149-A153 PolarHBondContact O-N 3.35Å; K151-A153 VanDerWaalsContact C-N 3.35Å; K151-A153 PolarHBondContact O-N 3.08Å; A153-H156 PolarHBondContact O-N 2.85Å; A153-T157 WeakPolarHBondContact O-CB 3.41Å; A153-T157 PolarHBondContact O-N 3.48Å; A153-T157 PolarHBondContact O-OG1 2.96Å
154	A	98.6	Very high	98.4	Very high	16 Å²	16	60 Å²	60	13%	0.132	31%	0.313	C	S	.	.	H	α-helix	trans	-65.9	-38.8	176.7	0	0	0	0	0	112.6	A142 R150 K151 D152 T157 L158 F189 I193	A142-A154 HydrophobicContact CB-CB 4.45Å; R150-A154 WeakPolarHBondContact O-CB 3.44Å; R150-A154 PolarHBondContact O-N 3.41Å; K151-A154 PolarHBondContact O-N 3.06Å; D152-A154 PolarHBondContact O-N 3.48Å; A154-T157 WeakPolarHBondContact O-CB 3.3Å; A154-T157 PolarHBondContact O-N 3.46Å; A154-L158 WeakPolarHBondContact O-CB 3.4Å; A154-L158 PolarHBondContact O-N 3.41Å; A154-F189 HydrophobicContact CB-CE2 4.32Å; A154-F189 HydrophobicContact CB-CZ 4.36Å; A154-F189 WeakPolarHBondContact O-CZ 3.4Å; A154-I193 HydrophobicContact CB-CG2 4.08Å
155	E	98.7	Very high	98.4	Very high	127 Å²	127	60.7 Å²	60.7	59%	0.593	32%	0.316	S	S	*	.	H	α-helix	trans	-66.6	-43.4	176.4	-176.2	169.8	-171.1	0	0	111.8	K151 D152 T157 L158 T159	K151-E155 PolarHBondContact O-N 3.41Å; D152-E155 PolarHBondContact O-N 3.15Å; E155-T157 VanDerWaalsContact C-N 3.34Å; E155-L158 PolarHBondContact O-N 2.85Å; E155-T159 WeakPolarHBondContact O-CB 3.11Å; E155-T159 PolarHBondContact O-N 2.95Å; E155-T159 PolarHBondContact O-OG1 3.35Å
156	H	98.7	Very high	98.4	Very high	94 Å²	94	63.8 Å²	63.8	44%	0.435	34%	0.335	S	S	.	.	H	α-helix	trans	-64.2	-39.2	174.5	-72.9	-51.2	0	0	0	112.3	H138 D152 A153 T159 A160	H138-H156 HydrophobicContact CB-CB 4.19Å; H138-H156 AromaticContact CE1-CD2 3.91Å; H138-H156 AromaticContact CE1-CG 3.85Å; D152-H156 WeakPolarHBondContact O-CB 3.3Å; D152-H156 PolarHBondContact O-CD2 3.34Å; D152-H156 PolarHBondContact O-N 3.48Å; A153-H156 PolarHBondContact O-N 2.85Å; H156-T159 PolarHBondContact O-N 2.84Å; H156-A160 WeakPolarHBondContact O-CB 3.17Å; H156-A160 PolarHBondContact O-N 3.31Å
157	T	98.8	Very high	98.5	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-57.6	-53.2	173.1	-57	0	0	0	0	111	G135 H138 R139 A153 A154 E155 T159 A160 Y161 F189	G135-T157 WeakPolarHBondContact O-CG2 3.43Å; H138-T157 VanDerWaalsContact CB-OG1 3.28Å; H138-T157 WeakPolarHBondContact CB-OG1 3.38Å; H138-T157 PolarHBondContact O-OG1 2.95Å; R139-T157 WeakPolarHBondContact CA-OG1 3.08Å; R139-T157 HydrophobicContact CB-CG2 3.81Å; R139-T157 PolarHBondContact N-OG1 3.25Å; A153-T157 WeakPolarHBondContact O-CB 3.41Å; A153-T157 PolarHBondContact O-N 3.48Å; A153-T157 PolarHBondContact O-OG1 2.96Å; A154-T157 WeakPolarHBondContact O-CB 3.3Å; A154-T157 PolarHBondContact O-N 3.46Å; E155-T157 VanDerWaalsContact C-N 3.34Å; T157-T159 VanDerWaalsContact C-N 3.29Å; T157-T159 PolarHBondContact O-N 3.37Å; T157-A160 PolarHBondContact O-N 3.39Å; T157-Y161 HydrophobicContact CG2-CD2 3.6Å; T157-Y161 HydrophobicContact CG2-CE2 3.31Å; T157-Y161 PolarHBondContact O-N 3.17Å; T157-F189 HydrophobicContact CG2-CB 4.44Å; T157-F189 HydrophobicContact CG2-CD1 4.1Å; T157-F189 HydrophobicContact CG2-CD2 3.34Å; T157-F189 HydrophobicContact CG2-CE1 4.15Å; T157-F189 HydrophobicContact CG2-CE2 3.42Å; T157-F189 VanDerWaalsContact CG2-CE2 3.42Å; T157-F189 HydrophobicContact CG2-CG 3.69Å; T157-F189 HydrophobicContact CG2-CZ 3.84Å
158	L	98.6	Very high	98.6	Very high	43 Å²	43	58.1 Å²	58.1	23%	0.225	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-40.7	-179.7	-177.5	63.4	0	0	0	111.7	A154 E155 K162 F186 F189 Y190	A154-L158 WeakPolarHBondContact O-CB 3.4Å; A154-L158 PolarHBondContact O-N 3.41Å; E155-L158 PolarHBondContact O-N 2.85Å; L158-K162 HydrophobicContact CD1-CD 4.2Å; L158-K162 HydrophobicContact CD1-CG 4.33Å; L158-K162 HydrophobicContact CG-CD 4.19Å; L158-K162 WeakPolarHBondContact O-CB 3.39Å; L158-K162 VanDerWaalsContact O-CG 3.28Å; L158-K162 WeakPolarHBondContact O-CG 3.2Å; L158-K162 PolarHBondContact O-N 3.35Å; L158-F186 HydrophobicContact CD1-CE2 3.77Å; L158-F186 HydrophobicContact CD1-CZ 3.83Å; L158-F189 HydrophobicContact CB-CE1 3.91Å; L158-F189 HydrophobicContact CB-CZ 4.17Å; L158-F189 HydrophobicContact CD1-CE1 4.04Å; L158-Y190 HydrophobicContact CD1-CE1 4.43Å
159	T	98.8	Very high	98.5	Very high	83 Å²	83	56.4 Å²	56.4	51%	0.509	28%	0.282	S	S	.	.	H	α-helix	trans	-64.1	-48	178.8	-60.1	0	0	0	0	111.2	E155 H156 T157 A163	E155-T159 WeakPolarHBondContact O-CB 3.11Å; E155-T159 PolarHBondContact O-N 2.95Å; E155-T159 PolarHBondContact O-OG1 3.35Å; H156-T159 PolarHBondContact O-N 2.84Å; T157-T159 VanDerWaalsContact C-N 3.29Å; T157-T159 PolarHBondContact O-N 3.37Å; T159-A163 WeakPolarHBondContact O-CB 3.38Å; T159-A163 PolarHBondContact O-N 3.17Å
160	A	98.8	Very high	98.5	Very high	6 Å²	6	55.5 Å²	55.5	5%	0.05	29%	0.293	C	S	.	.	H	α-helix	trans	-64.8	-46.6	-179.2	0	0	0	0	0	111.9	K134 H156 T157 K162 A163 A164	K134-A160 HydrophobicContact CB-CB 4.2Å; K134-A160 HydrophobicContact CD-CB 4.38Å; K134-A160 HydrophobicContact CG-CB 4.08Å; H156-A160 WeakPolarHBondContact O-CB 3.17Å; H156-A160 PolarHBondContact O-N 3.31Å; T157-A160 PolarHBondContact O-N 3.39Å; A160-K162 PolarHBondContact O-N 3.11Å; A160-A163 PolarHBondContact O-N 3.46Å; A160-A164 WeakPolarHBondContact O-CB 3.42Å; A160-A164 PolarHBondContact O-N 2.56Å
161	Y	98.8	Very high	98.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66.7	-37.5	178.2	-71.2	-36.3	0	0	0	113.4	K132 D136 R139 T157 A164 Q165 L182 N185 F186 F189	K132-Y161 HydrophobicContact CG-CE1 4.38Å; K132-Y161 WeakPolarHBondContact O-CE1 3.49Å; D136-Y161 WeakPolarHBondContact CA-OH 3.3Å; D136-Y161 PolarHBondContact N-OH 2.94Å; D136-Y161 PolarHBondContact OD1-OH 3.05Å; R139-Y161 PolarHBondContact NE-OH 3.35Å; T157-Y161 HydrophobicContact CG2-CD2 3.6Å; T157-Y161 HydrophobicContact CG2-CE2 3.31Å; T157-Y161 PolarHBondContact O-N 3.17Å; Y161-A164 PolarHBondContact O-N 3.18Å; Y161-Q165 VanDerWaalsContact O-CB 3.26Å; Y161-Q165 WeakPolarHBondContact O-CB 3.28Å; Y161-Q165 PolarHBondContact O-N 2.96Å; Y161-L182 HydrophobicContact CD1-CD1 3.52Å; Y161-L182 HydrophobicContact CE1-CD1 4.23Å; Y161-L182 HydrophobicContact CG-CD1 4.21Å; Y161-N185 HydrophobicContact CE1-CB 4.43Å; Y161-F186 HydrophobicContact CD2-CB 4.09Å; Y161-F186 AromaticContact CD2-CD2 3.43Å; Y161-F186 HydrophobicContact CD2-CD2 3.43Å; Y161-F186 VanDerWaalsContact CD2-CD2 3.43Å; Y161-F186 AromaticContact CD2-CE2 3.98Å; Y161-F186 HydrophobicContact CD2-CE2 3.98Å; Y161-F186 AromaticContact CD2-CG 3.88Å; Y161-F186 HydrophobicContact CD2-CG 3.88Å; Y161-F186 HydrophobicContact CE2-CD2 4.31Å; Y161-F186 HydrophobicContact CG-CB 4.13Å; Y161-F186 HydrophobicContact CG-CD1 4.44Å; Y161-F186 AromaticContact CG-CD2 3.89Å; Y161-F186 HydrophobicContact CG-CD2 3.89Å; Y161-F186 HydrophobicContact CG-CE2 4.36Å; Y161-F186 AromaticContact CG-CG 3.94Å; Y161-F186 HydrophobicContact CG-CG 3.94Å; Y161-F189 HydrophobicContact CD2-CB 4.3Å; Y161-F189 HydrophobicContact CD2-CD1 4.32Å; Y161-F189 HydrophobicContact CD2-CG 4.37Å; Y161-F189 HydrophobicContact CE2-CB 3.82Å; Y161-F189 HydrophobicContact CE2-CG 4.15Å
162	K	98.6	Very high	98.4	Very high	103 Å²	103	50 Å²	50	45%	0.448	27%	0.274	S	S	.	.	H	α-helix	trans	-62.4	-46.1	174.1	-79.2	-179.9	171.7	176.5	0	111.7	L158 A160 A164 Q165 D166 F186	L158-K162 HydrophobicContact CD1-CD 4.2Å; L158-K162 HydrophobicContact CD1-CG 4.33Å; L158-K162 HydrophobicContact CG-CD 4.19Å; L158-K162 WeakPolarHBondContact O-CB 3.39Å; L158-K162 VanDerWaalsContact O-CG 3.28Å; L158-K162 WeakPolarHBondContact O-CG 3.2Å; L158-K162 PolarHBondContact O-N 3.35Å; A160-K162 PolarHBondContact O-N 3.11Å; K162-A164 VanDerWaalsContact C-N 3.3Å; K162-A164 PolarHBondContact O-N 3Å; K162-Q165 PolarHBondContact O-N 3.33Å; K162-Q165 VanDerWaalsContact O-N 3.12Å; K162-D166 VanDerWaalsContact O-CG 3.3Å; K162-D166 PolarHBondContact O-N 3.34Å; K162-F186 HydrophobicContact CG-CE1 4.32Å; K162-F186 HydrophobicContact CG-CZ 3.95Å
163	A	98.6	Very high	98.3	Very high	38 Å²	38	49.2 Å²	49.2	31%	0.314	28%	0.276	S	S	.	.	H	α-helix	trans	-60.2	-41.4	176.4	0	0	0	0	0	111.8	L131 T159 A160 I167	L131-A163 HydrophobicContact CD1-CB 4.07Å; L131-A163 HydrophobicContact CD2-CB 4.48Å; T159-A163 WeakPolarHBondContact O-CB 3.38Å; T159-A163 PolarHBondContact O-N 3.17Å; A160-A163 PolarHBondContact O-N 3.46Å; A163-I167 WeakPolarHBondContact O-CG1 3.39Å; A163-I167 PolarHBondContact O-N 3.44Å
164	A	98.7	Very high	98.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.4	-42.5	173.8	0	0	0	0	0	111.8	V128 L131 A160 Y161 K162 I167 A168 L182	V128-A164 HydrophobicContact CG1-CB 4.32Å; L131-A164 HydrophobicContact CB-CB 3.71Å; A160-A164 WeakPolarHBondContact O-CB 3.42Å; A160-A164 PolarHBondContact O-N 2.56Å; Y161-A164 PolarHBondContact O-N 3.18Å; K162-A164 VanDerWaalsContact C-N 3.3Å; K162-A164 PolarHBondContact O-N 3Å; A164-I167 PolarHBondContact O-N 2.94Å; A164-A168 VanDerWaalsContact O-CB 3.24Å; A164-A168 WeakPolarHBondContact O-CB 3.09Å; A164-A168 PolarHBondContact O-N 3.15Å; A164-L182 VanDerWaalsContact C-CD2 3.47Å; A164-L182 HydrophobicContact CB-CD1 3.82Å; A164-L182 HydrophobicContact CB-CD2 3.61Å; A164-L182 HydrophobicContact CB-CG 4.38Å
165	Q	98.6	Very high	98.1	Very high	24 Å²	24	49.2 Å²	49.2	11%	0.112	27%	0.274	C	S	.	.	H	α-helix	trans	-67.4	-40.6	-176.4	-172.3	72.8	64.5	0	0	111.6	Y161 K162 I167 A168 N169 L182	Y161-Q165 VanDerWaalsContact O-CB 3.26Å; Y161-Q165 WeakPolarHBondContact O-CB 3.28Å; Y161-Q165 PolarHBondContact O-N 2.96Å; K162-Q165 PolarHBondContact O-N 3.33Å; K162-Q165 VanDerWaalsContact O-N 3.12Å; Q165-I167 VanDerWaalsContact C-N 3.34Å; Q165-I167 PolarHBondContact O-N 3.38Å; Q165-A168 PolarHBondContact O-N 3.39Å; Q165-N169 PolarHBondContact NE2-OD1 3.13Å; Q165-N169 WeakPolarHBondContact O-CB 3.44Å; Q165-N169 PolarHBondContact O-N 3.34Å; Q165-N169 PolarHBondContact O-ND2 3.12Å; Q165-L182 HydrophobicContact CB-CD2 4.05Å
166	D	98.5	Very high	97.9	Very high	113 Å²	113	45.4 Å²	45.4	60%	0.604	26%	0.257	S	S	*	.	H	α-helix	trans	-61.5	-44.2	178.3	-69.5	-20	0	0	0	111	K162 A170	K162-D166 VanDerWaalsContact O-CG 3.3Å; K162-D166 PolarHBondContact O-N 3.34Å; D166-A170 PolarHBondContact O-N 3.36Å
167	I	98.5	Very high	97.8	Very high	39 Å²	39	41.2 Å²	41.2	20%	0.2	24%	0.238	C	C	.	.	H	α-helix	trans	-69	-44.7	176.5	-59.8	168.7	0	0	0	110.5	K127 V128 L131 A163 A164 Q165 N169 A170 E171	K127-I167 HydrophobicContact CB-CD1 4.02Å; K127-I167 HydrophobicContact CD-CD1 4.26Å; V128-I167 HydrophobicContact CG2-CB 3.82Å; V128-I167 HydrophobicContact CG2-CG2 3.64Å; L131-I167 HydrophobicContact CD1-CD1 3.76Å; A163-I167 WeakPolarHBondContact O-CG1 3.39Å; A163-I167 PolarHBondContact O-N 3.44Å; A164-I167 PolarHBondContact O-N 2.94Å; Q165-I167 VanDerWaalsContact C-N 3.34Å; Q165-I167 PolarHBondContact O-N 3.38Å; I167-N169 VanDerWaalsContact C-N 3.33Å; I167-N169 PolarHBondContact O-N 2.83Å; I167-A170 PolarHBondContact O-N 3.38Å; I167-A170 VanDerWaalsContact O-N 3.13Å; I167-E171 HydrophobicContact CG2-CG 4.39Å; I167-E171 WeakPolarHBondContact O-CB 3.21Å; I167-E171 PolarHBondContact O-N 3.21Å
168	A	98.5	Very high	97.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.2	-41.5	-179	0	0	0	0	0	112.1	V128 A164 Q165 A170 L172 R179 L182	V128-A168 HydrophobicContact CG1-CB 3.9Å; V128-A168 HydrophobicContact CG2-CB 3.86Å; A164-A168 VanDerWaalsContact O-CB 3.24Å; A164-A168 WeakPolarHBondContact O-CB 3.09Å; A164-A168 PolarHBondContact O-N 3.15Å; Q165-A168 PolarHBondContact O-N 3.39Å; A168-A170 VanDerWaalsContact C-N 3.26Å; A168-A170 PolarHBondContact O-N 2.98Å; A168-L172 HydrophobicContact CB-CD1 4.23Å; A168-L172 WeakPolarHBondContact O-CA 3.47Å; A168-L172 WeakPolarHBondContact O-CB 3.41Å; A168-L172 PolarHBondContact O-N 3.36Å; A168-R179 HydrophobicContact CB-CB 4.22Å; A168-R179 HydrophobicContact CB-CG 4.01Å; A168-L182 HydrophobicContact CB-CD2 4.13Å
169	N	97.8	Very high	97.6	Very high	78 Å²	78	40.5 Å²	40.5	42%	0.417	23%	0.232	S	C	.	.	H	α-helix	trans	-67	-28.9	177.9	-71.9	-11.5	0	0	0	112.7	Q165 I167 R179	Q165-N169 PolarHBondContact NE2-OD1 3.13Å; Q165-N169 WeakPolarHBondContact O-CB 3.44Å; Q165-N169 PolarHBondContact O-N 3.34Å; Q165-N169 PolarHBondContact O-ND2 3.12Å; I167-N169 VanDerWaalsContact C-N 3.33Å; I167-N169 PolarHBondContact O-N 2.83Å; N169-R179 PolarHBondContact OD1-NH2 3.17Å
170	A	97.6	Very high	97.6	Very high	85 Å²	85	36.7 Å²	36.7	70%	0.702	21%	0.209	S	C	*	.	H	α-helix	trans	-87	-35.9	-179.3	0	0	0	0	0	113.4	D166 I167 A168	D166-A170 PolarHBondContact O-N 3.36Å; I167-A170 PolarHBondContact O-N 3.38Å; I167-A170 VanDerWaalsContact O-N 3.13Å; A168-A170 VanDerWaalsContact C-N 3.26Å; A168-A170 PolarHBondContact O-N 2.98Å
171	E	97.7	Very high	97.6	Very high	112 Å²	112	36.5 Å²	36.5	52%	0.523	21%	0.208	S	C	.	.	H	α-helix	trans	-116.6	-18	-166.5	-62.3	-171.6	-146	0	0	114.4	G124 I167	G124-E171 WeakPolarHBondContact CA-OE2 3.09Å; G124-E171 PolarHBondContact N-OE2 2.98Å; I167-E171 HydrophobicContact CG2-CG 4.39Å; I167-E171 WeakPolarHBondContact O-CB 3.21Å; I167-E171 PolarHBondContact O-N 3.21Å
172	L	96.4	Very high	97.5	Very high	19 Å²	19	36.5 Å²	36.5	10%	0.099	21%	0.208	C	C	.	.	S	Bend	trans	-117	137.4	-175.4	-53.7	-178.9	0	0	0	111.5	D125 V128 A168 H176 I178 R179	D125-L172 HydrophobicContact CB-CD2 4.41Å; V128-L172 HydrophobicContact CB-CD1 4.03Å; V128-L172 HydrophobicContact CG1-CD1 4.14Å; V128-L172 HydrophobicContact CG2-CD1 3.89Å; A168-L172 HydrophobicContact CB-CD1 4.23Å; A168-L172 WeakPolarHBondContact O-CA 3.47Å; A168-L172 WeakPolarHBondContact O-CB 3.41Å; A168-L172 PolarHBondContact O-N 3.36Å; L172-H176 HydrophobicContact CB-CB 3.99Å; L172-I178 HydrophobicContact CD1-CB 4.43Å; L172-R179 HydrophobicContact CB-CB 4.2Å; L172-R179 HydrophobicContact CD1-CB 4.31Å; L172-R179 PolarHBondContact O-NH1 2.87Å
173	A	95.9	Very high	97.5	Very high	47 Å²	47	31.7 Å²	31.7	39%	0.388	19%	0.187	S	C	.	.			trans	-60.4	149.2	174.3	0	0	0	0	0	111.2	T175 H176 R179	A173-T175 PolarHBondContact O-N 2.82Å; A173-T175 VanDerWaalsContact O-N 3.13Å; A173-H176 WeakPolarHBondContact O-CB 3.46Å; A173-H176 PolarHBondContact O-N 3.42Å; A173-R179 WeakPolarHBondContact O-CD 3.32Å
174	P	97.1	Very high	97.5	Very high	16 Å²	16	29.9 Å²	29.9	10%	0.104	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-30.2	175	-28.5	35.8	0	0	0	115	H176 L180 E210 E214	P174-H176 VanDerWaalsContact C-N 3.31Å; P174-L180 WeakPolarHBondContact O-CG 3.43Å; P174-E210 HydrophobicContact CB-CB 3.92Å; P174-E210 HydrophobicContact CG-CB 4.42Å; P174-E214 WeakPolarHBondContact CD-OE2 3.4Å
175	T	96	Very high	97.5	Very high	6 Å²	6	30 Å²	30	4%	0.037	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-2.3	176.3	52	0	0	0	0	113.8	A173 A211 E214 S226	A173-T175 PolarHBondContact O-N 2.82Å; A173-T175 VanDerWaalsContact O-N 3.13Å; T175-A211 HydrophobicContact CG2-CB 4.32Å; T175-A211 VanDerWaalsContact CG2-O 3.32Å; T175-A211 WeakPolarHBondContact CG2-O 3.46Å; T175-E214 HydrophobicContact CG2-CB 4Å; T175-S226 WeakPolarHBondContact O-CB 3.44Å; T175-S226 PolarHBondContact O-OG 3.2Å
176	H	95.4	Very high	97.5	Very high	47 Å²	47	29.2 Å²	29.2	22%	0.218	17%	0.169	C	C	.	.			trans	-66.5	127.9	-178.2	-166.2	-81.3	0	0	0	110.9	D125 L172 A173 P174 I178 R179 L180	D125-H176 IonicContact OD2-CE1 2.95Å; D125-H176 PolarHBondContact OD2-CE1 2.74Å; D125-H176 IonicContact OD2-NE2 2.97Å; D125-H176 PolarHBondContact OD2-NE2 3.08Å; L172-H176 HydrophobicContact CB-CB 3.99Å; A173-H176 WeakPolarHBondContact O-CB 3.46Å; A173-H176 PolarHBondContact O-N 3.42Å; P174-H176 VanDerWaalsContact C-N 3.31Å; H176-I178 VanDerWaalsContact C-N 3.32Å; H176-I178 PolarHBondContact ND1-N 3.12Å; H176-I178 PolarHBondContact O-N 2.91Å; H176-R179 HydrophobicContact CB-CB 4.23Å; H176-R179 PolarHBondContact O-N 2.92Å; H176-L180 PolarHBondContact O-N 2.77Å
177	P	95.8	Very high	97.5	Very high	6 Å²	6	23.9 Å²	23.9	4%	0.039	14%	0.14	C	C	.	.	H	α-helix	trans	-59.8	-37.1	-172.4	-16.4	20.2	0	0	0	114.4	L180 G181 S226 I229 I267	P177-L180 PolarHBondContact O-N 3.3Å; P177-G181 PolarHBondContact O-N 3.38Å; P177-S226 WeakPolarHBondContact CG-OG 3.5Å; P177-I229 HydrophobicContact CB-CD1 4.16Å; P177-I229 WeakPolarHBondContact O-CD1 3.33Å; P177-I267 HydrophobicContact CB-CB 4.3Å; P177-I267 HydrophobicContact CB-CD1 3.18Å; P177-I267 HydrophobicContact CB-CG1 4.36Å; P177-I267 HydrophobicContact CB-CG2 4.29Å; P177-I267 HydrophobicContact CG-CD1 4.21Å
178	I	96.5	Very high	97.5	Very high	4 Å²	4	22 Å²	22	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-65	-40.5	176.5	-56.8	-177	0	0	0	111.6	D125 V128 F129 L172 H176 G181 L182	D125-I178 VanDerWaalsContact CG-CD1 3.5Å; D125-I178 WeakPolarHBondContact OD1-CD1 3.47Å; D125-I178 VanDerWaalsContact OD2-CD1 3.23Å; D125-I178 WeakPolarHBondContact OD2-CD1 3.32Å; V128-I178 HydrophobicContact CB-CG2 4.08Å; V128-I178 HydrophobicContact CG1-CG2 3.64Å; F129-I178 HydrophobicContact CB-CD1 4.27Å; F129-I178 HydrophobicContact CB-CG2 4.44Å; F129-I178 HydrophobicContact CD2-CD1 4.24Å; L172-I178 HydrophobicContact CD1-CB 4.43Å; H176-I178 VanDerWaalsContact C-N 3.32Å; H176-I178 PolarHBondContact ND1-N 3.12Å; H176-I178 PolarHBondContact O-N 2.91Å; I178-G181 PolarHBondContact O-N 2.65Å; I178-L182 WeakPolarHBondContact O-CB 3.32Å; I178-L182 PolarHBondContact O-N 3.48Å
179	R	97.8	Very high	97.5	Very high	25 Å²	25	22 Å²	22	9%	0.094	13%	0.131	C	C	.	.	H	α-helix	trans	-66.9	-43.7	177.9	176.4	173.6	170.6	175.1	-5.9	110.8	A168 N169 L172 A173 H176 L182 A183 E210	A168-R179 HydrophobicContact CB-CB 4.22Å; A168-R179 HydrophobicContact CB-CG 4.01Å; N169-R179 PolarHBondContact OD1-NH2 3.17Å; L172-R179 HydrophobicContact CB-CB 4.2Å; L172-R179 HydrophobicContact CD1-CB 4.31Å; L172-R179 PolarHBondContact O-NH1 2.87Å; A173-R179 WeakPolarHBondContact O-CD 3.32Å; H176-R179 HydrophobicContact CB-CB 4.23Å; H176-R179 PolarHBondContact O-N 2.92Å; R179-L182 WeakPolarHBondContact O-CB 3.5Å; R179-L182 PolarHBondContact O-N 2.94Å; R179-A183 PolarHBondContact O-N 3.03Å; R179-E210 IonicContact CZ-OE2 3.89Å; R179-E210 IonicContact NH2-OE2 2.8Å; R179-E210 PolarHBondContact NH2-OE2 3.21Å
180	L	98.1	Very high	97.5	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-61.7	-45	174.2	-75.6	172.2	0	0	0	111.9	P174 H176 P177 L182 A183 L184 A211 I229 M230 L233	P174-L180 WeakPolarHBondContact O-CG 3.43Å; H176-L180 PolarHBondContact O-N 2.77Å; P177-L180 PolarHBondContact O-N 3.3Å; L180-L182 VanDerWaalsContact C-N 3.31Å; L180-L182 PolarHBondContact O-N 2.91Å; L180-A183 PolarHBondContact O-N 3.44Å; L180-L184 PolarHBondContact O-N 3.21Å; L180-A211 HydrophobicContact CD1-CB 4.49Å; L180-A211 HydrophobicContact CD2-CB 3.75Å; L180-I229 HydrophobicContact CB-CB 4.15Å; L180-I229 HydrophobicContact CB-CD1 4.34Å; L180-I229 HydrophobicContact CB-CG2 3.65Å; L180-M230 HydrophobicContact CD1-CG 4.01Å; L180-M230 HydrophobicContact CD2-CG 4.23Å; L180-L233 HydrophobicContact CD2-CD1 4.04Å
181	G	97.9	Very high	97.6	Very high	3 Å²	3	17.7 Å²	17.7	3%	0.031	9%	0.091	C	C	.	.	H	α-helix	trans	-63.3	-37.1	177.6	0	0	0	0	0	112.4	K132 P177 I178 N185	K132-G181 VanDerWaalsContact CE-O 3.25Å; K132-G181 WeakPolarHBondContact CE-O 3.49Å; P177-G181 PolarHBondContact O-N 3.38Å; I178-G181 PolarHBondContact O-N 2.65Å; G181-N185 PolarHBondContact O-N 3.08Å; G181-N185 VanDerWaalsContact O-N 3.07Å; G181-N185 PolarHBondContact O-OD1 3.18Å
182	L	98.6	Very high	97.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.4	-48.8	171.5	171.5	65.1	0	0	0	111.3	V128 K132 Y161 A164 Q165 A168 I178 R179 L180 L184 N185 F186	V128-L182 HydrophobicContact CG1-CD2 4.11Å; K132-L182 HydrophobicContact CB-CD1 4.12Å; K132-L182 HydrophobicContact CD-CB 4.16Å; K132-L182 HydrophobicContact CG-CB 4.26Å; K132-L182 HydrophobicContact CG-CD1 4.01Å; Y161-L182 HydrophobicContact CD1-CD1 3.52Å; Y161-L182 HydrophobicContact CE1-CD1 4.23Å; Y161-L182 HydrophobicContact CG-CD1 4.21Å; A164-L182 VanDerWaalsContact C-CD2 3.47Å; A164-L182 HydrophobicContact CB-CD1 3.82Å; A164-L182 HydrophobicContact CB-CD2 3.61Å; A164-L182 HydrophobicContact CB-CG 4.38Å; Q165-L182 HydrophobicContact CB-CD2 4.05Å; A168-L182 HydrophobicContact CB-CD2 4.13Å; I178-L182 WeakPolarHBondContact O-CB 3.32Å; I178-L182 PolarHBondContact O-N 3.48Å; R179-L182 WeakPolarHBondContact O-CB 3.5Å; R179-L182 PolarHBondContact O-N 2.94Å; L180-L182 VanDerWaalsContact C-N 3.31Å; L180-L182 PolarHBondContact O-N 2.91Å; L182-L184 VanDerWaalsContact C-N 3.29Å; L182-L184 PolarHBondContact O-N 3.35Å; L182-N185 PolarHBondContact O-N 3.31Å; L182-F186 WeakPolarHBondContact O-CB 3.4Å; L182-F186 PolarHBondContact O-N 2.92Å
183	A	98.6	Very high	97.5	Very high	2 Å²	2	15.1 Å²	15.1	2%	0.017	8%	0.079	C	C	.	.	H	α-helix	trans	-60.5	-41	179.7	0	0	0	0	0	111.8	R179 L180 S187 A207	R179-A183 PolarHBondContact O-N 3.03Å; L180-A183 PolarHBondContact O-N 3.44Å; A183-S187 VanDerWaalsContact O-CB 3.29Å; A183-S187 WeakPolarHBondContact O-CB 3Å; A183-S187 PolarHBondContact O-N 3.31Å; A183-S187 PolarHBondContact O-OG 3.33Å; A183-A207 HydrophobicContact CB-CB 3.41Å; A183-A207 VanDerWaalsContact CB-CB 3.41Å
184	L	98.4	Very high	97.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-56.4	-59.3	173.8	178.2	64.9	0	0	0	110.8	L180 L182 F186 S187 V188 I229 L232 L233 N236	L180-L184 PolarHBondContact O-N 3.21Å; L182-L184 VanDerWaalsContact C-N 3.29Å; L182-L184 PolarHBondContact O-N 3.35Å; L184-F186 VanDerWaalsContact C-N 3.33Å; L184-F186 PolarHBondContact O-N 3.41Å; L184-S187 PolarHBondContact O-N 2.93Å; L184-S187 PolarHBondContact O-OG 2.98Å; L184-V188 WeakPolarHBondContact O-CG2 3.38Å; L184-V188 PolarHBondContact O-N 3.28Å; L184-I229 HydrophobicContact CB-CG2 4.27Å; L184-I229 HydrophobicContact CD2-CG2 4.23Å; L184-L232 HydrophobicContact CD1-CB 4.15Å; L184-L232 HydrophobicContact CD2-CB 3.97Å; L184-L232 HydrophobicContact CD2-CD1 3.92Å; L184-L233 HydrophobicContact CB-CD2 3.98Å; L184-L233 HydrophobicContact CB-CG 4.29Å; L184-L233 HydrophobicContact CD1-CD2 3.94Å; L184-L233 HydrophobicContact CD1-CG 4.17Å; L184-N236 VanDerWaalsContact CD1-ND2 3.29Å; L184-N236 WeakPolarHBondContact CD1-ND2 3.33Å
185	N	98.1	Very high	97.6	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.011	11%	0.105	C	C	.	.	H	α-helix	trans	-67	-35.5	-174.8	-69.5	20	0	0	0	112.6	K132 D136 Y161 G181 L182 S187 V188 F189 E263	K132-N185 PolarHBondContact NZ-ND2 3.44Å; D136-N185 WeakPolarHBondContact OD1-CB 3.37Å; D136-N185 PolarHBondContact OD1-ND2 2.97Å; D136-N185 PolarHBondContact OD2-ND2 2.99Å; Y161-N185 HydrophobicContact CE1-CB 4.43Å; G181-N185 PolarHBondContact O-N 3.08Å; G181-N185 VanDerWaalsContact O-N 3.07Å; G181-N185 PolarHBondContact O-OD1 3.18Å; L182-N185 PolarHBondContact O-N 3.31Å; N185-S187 VanDerWaalsContact C-N 3.34Å; N185-V188 PolarHBondContact O-N 3.25Å; N185-F189 PolarHBondContact O-N 3.48Å; N185-E263 WeakPolarHBondContact CA-OE1 3.47Å; N185-E263 WeakPolarHBondContact CB-OE1 3.46Å; N185-E263 VanDerWaalsContact CG-OE1 3.24Å; N185-E263 WeakPolarHBondContact OD1-CG 3.45Å; N185-E263 PolarHBondContact OD1-OE1 3.2Å
186	F	98.7	Very high	97.6	Very high	8 Å²	8	22.7 Å²	22.7	4%	0.035	11%	0.114	C	C	.	.	H	α-helix	trans	-69.8	-33.8	177.2	-165.2	-174.1	0	0	0	111.5	L158 Y161 K162 L182 L184 F189 Y190 L203	L158-F186 HydrophobicContact CD1-CE2 3.77Å; L158-F186 HydrophobicContact CD1-CZ 3.83Å; Y161-F186 HydrophobicContact CD2-CB 4.09Å; Y161-F186 AromaticContact CD2-CD2 3.43Å; Y161-F186 HydrophobicContact CD2-CD2 3.43Å; Y161-F186 VanDerWaalsContact CD2-CD2 3.43Å; Y161-F186 AromaticContact CD2-CE2 3.98Å; Y161-F186 HydrophobicContact CD2-CE2 3.98Å; Y161-F186 AromaticContact CD2-CG 3.88Å; Y161-F186 HydrophobicContact CD2-CG 3.88Å; Y161-F186 HydrophobicContact CE2-CD2 4.31Å; Y161-F186 HydrophobicContact CG-CB 4.13Å; Y161-F186 HydrophobicContact CG-CD1 4.44Å; Y161-F186 AromaticContact CG-CD2 3.89Å; Y161-F186 HydrophobicContact CG-CD2 3.89Å; Y161-F186 HydrophobicContact CG-CE2 4.36Å; Y161-F186 AromaticContact CG-CG 3.94Å; Y161-F186 HydrophobicContact CG-CG 3.94Å; K162-F186 HydrophobicContact CG-CE1 4.32Å; K162-F186 HydrophobicContact CG-CZ 3.95Å; L182-F186 WeakPolarHBondContact O-CB 3.4Å; L182-F186 PolarHBondContact O-N 2.92Å; L184-F186 VanDerWaalsContact C-N 3.33Å; L184-F186 PolarHBondContact O-N 3.41Å; F186-F189 HydrophobicContact CD2-CB 4.42Å; F186-F189 AromaticContact CD2-CD1 3.92Å; F186-F189 HydrophobicContact CD2-CD1 3.92Å; F186-F189 AromaticContact CE2-CD1 3.88Å; F186-F189 HydrophobicContact CE2-CD1 3.88Å; F186-F189 HydrophobicContact CE2-CE1 4.37Å; F186-F189 WeakPolarHBondContact O-CB 3.44Å; F186-F189 PolarHBondContact O-N 3.25Å; F186-Y190 HydrophobicContact CD1-CE2 4.43Å; F186-Y190 AromaticContact CD2-CD2 3.94Å; F186-Y190 HydrophobicContact CD2-CD2 3.94Å; F186-Y190 AromaticContact CD2-CE2 3.6Å; F186-Y190 HydrophobicContact CD2-CE2 3.6Å; F186-Y190 HydrophobicContact CE1-CE2 4.21Å; F186-Y190 HydrophobicContact CE2-CD2 4.05Å; F186-Y190 HydrophobicContact CE2-CE1 4.49Å; F186-Y190 AromaticContact CE2-CE2 3.32Å; F186-Y190 HydrophobicContact CE2-CE2 3.32Å; F186-Y190 AromaticContact CE2-CZ 3.58Å; F186-Y190 HydrophobicContact CG-CE2 4.16Å; F186-Y190 AromaticContact CZ-CE2 3.67Å; F186-Y190 HydrophobicContact CZ-CE2 3.67Å; F186-Y190 AromaticContact CZ-CZ 3.8Å; F186-Y190 WeakPolarHBondContact CZ-OH 3.44Å; F186-Y190 VanDerWaalsContact O-CD2 3.24Å; F186-Y190 WeakPolarHBondContact O-CD2 3.32Å; F186-Y190 PolarHBondContact O-N 3.25Å; F186-Y190 VanDerWaalsContact O-N 3.11Å; F186-L203 HydrophobicContact CB-CD2 3.8Å; F186-L203 HydrophobicContact CD1-CD2 3.78Å; F186-L203 HydrophobicContact CG-CD2 3.75Å
187	S	98.4	Very high	97.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-66.1	-41.9	171.8	72.4	0	0	0	0	111.9	A183 L184 N185 F189 Y190 Y191 A200 W240	A183-S187 VanDerWaalsContact O-CB 3.29Å; A183-S187 WeakPolarHBondContact O-CB 3Å; A183-S187 PolarHBondContact O-N 3.31Å; A183-S187 PolarHBondContact O-OG 3.33Å; L184-S187 PolarHBondContact O-N 2.93Å; L184-S187 PolarHBondContact O-OG 2.98Å; N185-S187 VanDerWaalsContact C-N 3.34Å; S187-F189 VanDerWaalsContact C-N 3.3Å; S187-F189 PolarHBondContact O-N 3.02Å; S187-Y190 PolarHBondContact O-N 2.85Å; S187-Y190 VanDerWaalsContact O-N 3.17Å; S187-Y191 PolarHBondContact O-N 2.77Å; S187-A200 VanDerWaalsContact O-CB 3.22Å; S187-A200 WeakPolarHBondContact O-CB 3.37Å; S187-W240 WeakPolarHBondContact OG-CH2 3.38Å
188	V	98	Very high	97.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59	-41.9	173.8	174.5	0	0	0	0	110.9	L184 N185 Y190 Y191 E192 W240 A261 E263	L184-V188 WeakPolarHBondContact O-CG2 3.38Å; L184-V188 PolarHBondContact O-N 3.28Å; N185-V188 PolarHBondContact O-N 3.25Å; V188-Y190 PolarHBondContact O-N 3.4Å; V188-Y191 PolarHBondContact O-N 2.9Å; V188-E192 HydrophobicContact CG1-CG 4.03Å; V188-E192 WeakPolarHBondContact O-CB 3.45Å; V188-E192 PolarHBondContact O-N 2.85Å; V188-W240 HydrophobicContact CG2-CH2 4.11Å; V188-W240 HydrophobicContact CG2-CZ2 4.09Å; V188-A261 HydrophobicContact CG1-CB 4.4Å; V188-A261 HydrophobicContact CG2-CB 3.89Å; V188-E263 HydrophobicContact CG2-CG 4.32Å
189	F	98.5	Very high	97.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.6	-47.2	174.1	174.2	-114.6	0	0	0	113.4	R139 A154 T157 L158 Y161 N185 F186 S187 Y191 I193 L194	R139-F189 HydrophobicContact CG-CD2 4.24Å; A154-F189 HydrophobicContact CB-CE2 4.32Å; A154-F189 HydrophobicContact CB-CZ 4.36Å; A154-F189 WeakPolarHBondContact O-CZ 3.4Å; T157-F189 HydrophobicContact CG2-CB 4.44Å; T157-F189 HydrophobicContact CG2-CD1 4.1Å; T157-F189 HydrophobicContact CG2-CD2 3.34Å; T157-F189 HydrophobicContact CG2-CE1 4.15Å; T157-F189 HydrophobicContact CG2-CE2 3.42Å; T157-F189 VanDerWaalsContact CG2-CE2 3.42Å; T157-F189 HydrophobicContact CG2-CG 3.69Å; T157-F189 HydrophobicContact CG2-CZ 3.84Å; L158-F189 HydrophobicContact CB-CE1 3.91Å; L158-F189 HydrophobicContact CB-CZ 4.17Å; L158-F189 HydrophobicContact CD1-CE1 4.04Å; Y161-F189 HydrophobicContact CD2-CB 4.3Å; Y161-F189 HydrophobicContact CD2-CD1 4.32Å; Y161-F189 HydrophobicContact CD2-CG 4.37Å; Y161-F189 HydrophobicContact CE2-CB 3.82Å; Y161-F189 HydrophobicContact CE2-CG 4.15Å; N185-F189 PolarHBondContact O-N 3.48Å; F186-F189 HydrophobicContact CD2-CB 4.42Å; F186-F189 AromaticContact CD2-CD1 3.92Å; F186-F189 HydrophobicContact CD2-CD1 3.92Å; F186-F189 AromaticContact CE2-CD1 3.88Å; F186-F189 HydrophobicContact CE2-CD1 3.88Å; F186-F189 HydrophobicContact CE2-CE1 4.37Å; F186-F189 WeakPolarHBondContact O-CB 3.44Å; F186-F189 PolarHBondContact O-N 3.25Å; S187-F189 VanDerWaalsContact C-N 3.3Å; S187-F189 PolarHBondContact O-N 3.02Å; F189-Y191 PolarHBondContact O-N 3.46Å; F189-I193 HydrophobicContact CD2-CB 3.59Å; F189-I193 HydrophobicContact CD2-CG1 3.75Å; F189-I193 HydrophobicContact CD2-CG2 4.05Å; F189-I193 HydrophobicContact CE2-CB 3.66Å; F189-I193 HydrophobicContact CE2-CG1 4.17Å; F189-I193 HydrophobicContact CE2-CG2 3.59Å; F189-I193 WeakPolarHBondContact O-CB 3.42Å; F189-I193 PolarHBondContact O-N 3.5Å; F189-L194 HydrophobicContact CD1-CD1 4.03Å; F189-L194 HydrophobicContact CD1-CG 4.26Å; F189-L194 HydrophobicContact CE1-CD1 3.32Å; F189-L194 HydrophobicContact CE1-CD2 4.28Å; F189-L194 HydrophobicContact CE1-CG 3.65Å; F189-L194 HydrophobicContact CE2-CD2 4.38Å; F189-L194 HydrophobicContact CE2-CG 4.17Å; F189-L194 HydrophobicContact CZ-CD1 3.73Å; F189-L194 HydrophobicContact CZ-CD2 3.78Å; F189-L194 HydrophobicContact CZ-CG 3.58Å; F189-L194 PolarHBondContact O-N 3.36Å; F189-L194 VanDerWaalsContact O-N 3.14Å
190	Y	98.5	Very high	97.7	Very high	27 Å²	27	32.4 Å²	32.4	11%	0.106	16%	0.16	C	C	.	.	H	α-helix	trans	-60.3	-38.5	177.2	-82.2	-61.7	0	0	0	111.7	L158 F186 S187 V188 L194 N195 S196 R199 L203	L158-Y190 HydrophobicContact CD1-CE1 4.43Å; F186-Y190 HydrophobicContact CD1-CE2 4.43Å; F186-Y190 AromaticContact CD2-CD2 3.94Å; F186-Y190 HydrophobicContact CD2-CD2 3.94Å; F186-Y190 AromaticContact CD2-CE2 3.6Å; F186-Y190 HydrophobicContact CD2-CE2 3.6Å; F186-Y190 HydrophobicContact CE1-CE2 4.21Å; F186-Y190 HydrophobicContact CE2-CD2 4.05Å; F186-Y190 HydrophobicContact CE2-CE1 4.49Å; F186-Y190 AromaticContact CE2-CE2 3.32Å; F186-Y190 HydrophobicContact CE2-CE2 3.32Å; F186-Y190 AromaticContact CE2-CZ 3.58Å; F186-Y190 HydrophobicContact CG-CE2 4.16Å; F186-Y190 AromaticContact CZ-CE2 3.67Å; F186-Y190 HydrophobicContact CZ-CE2 3.67Å; F186-Y190 AromaticContact CZ-CZ 3.8Å; F186-Y190 WeakPolarHBondContact CZ-OH 3.44Å; F186-Y190 VanDerWaalsContact O-CD2 3.24Å; F186-Y190 WeakPolarHBondContact O-CD2 3.32Å; F186-Y190 PolarHBondContact O-N 3.25Å; F186-Y190 VanDerWaalsContact O-N 3.11Å; S187-Y190 PolarHBondContact O-N 2.85Å; S187-Y190 VanDerWaalsContact O-N 3.17Å; V188-Y190 PolarHBondContact O-N 3.4Å; Y190-L194 HydrophobicContact CD1-CD1 3.68Å; Y190-L194 HydrophobicContact CE1-CD1 3.78Å; Y190-L194 CarbonylContact O-C 3.44Å; Y190-N195 PolarHBondContact O-N 3.43Å; Y190-S196 WeakPolarHBondContact O-CA 3.47Å; Y190-S196 PolarHBondContact O-N 3.24Å; Y190-R199 HydrophobicContact CD1-CB 3.89Å; Y190-R199 HydrophobicContact CD2-CB 4.48Å; Y190-R199 HydrophobicContact CE1-CB 4.35Å; Y190-R199 HydrophobicContact CG-CB 3.99Å; Y190-L203 HydrophobicContact CD2-CD2 4.03Å; Y190-L203 HydrophobicContact CE2-CD2 3.99Å
191	Y	98	Very high	97.7	Very high	45 Å²	45	33.1 Å²	33.1	18%	0.176	16%	0.164	C	C	.	.	H	α-helix	trans	-71.8	-63.2	179.2	-165.3	-98	0	0	0	111.6	S187 V188 F189 N195 P197 A200 W240 D243	S187-Y191 PolarHBondContact O-N 2.77Å; V188-Y191 PolarHBondContact O-N 2.9Å; F189-Y191 PolarHBondContact O-N 3.46Å; Y191-N195 WeakPolarHBondContact O-CA 3.46Å; Y191-N195 PolarHBondContact O-N 2.85Å; Y191-P197 HydrophobicContact CD2-CB 3.86Å; Y191-P197 HydrophobicContact CE2-CB 3.77Å; Y191-A200 HydrophobicContact CD2-CB 4.28Å; Y191-W240 AromaticContact CD1-CD1 3.79Å; Y191-W240 AromaticContact CD1-CE2 3.95Å; Y191-W240 HydrophobicContact CD1-CG 4.46Å; Y191-W240 AromaticContact CD1-NE1 3.42Å; Y191-W240 HydrophobicContact CD2-CB 4.05Å; Y191-W240 AromaticContact CD2-CD1 3.63Å; Y191-W240 AromaticContact CD2-CD2 3.71Å; Y191-W240 HydrophobicContact CD2-CD2 3.71Å; Y191-W240 AromaticContact CD2-CE2 3.9Å; Y191-W240 HydrophobicContact CD2-CE3 4.4Å; Y191-W240 AromaticContact CD2-CG 3.53Å; Y191-W240 HydrophobicContact CD2-CG 3.53Å; Y191-W240 AromaticContact CD2-NE1 3.83Å; Y191-W240 AromaticContact CE1-CD1 3.45Å; Y191-W240 VanDerWaalsContact CE1-CD1 3.45Å; Y191-W240 HydrophobicContact CE1-CG 4.31Å; Y191-W240 AromaticContact CE1-NE1 3.5Å; Y191-W240 HydrophobicContact CE2-CB 3.6Å; Y191-W240 AromaticContact CE2-CD1 3.31Å; Y191-W240 HydrophobicContact CE2-CD2 4.08Å; Y191-W240 AromaticContact CE2-CG 3.38Å; Y191-W240 HydrophobicContact CE2-CG 3.38Å; Y191-W240 AromaticContact CE2-NE1 3.93Å; Y191-W240 AromaticContact CG-CD1 3.87Å; Y191-W240 AromaticContact CG-CD2 4Å; Y191-W240 HydrophobicContact CG-CD2 4Å; Y191-W240 AromaticContact CG-CE2 3.67Å; Y191-W240 HydrophobicContact CG-CG 4.1Å; Y191-W240 HydrophobicContact CG-CZ2 4.16Å; Y191-W240 AromaticContact CG-NE1 3.59Å; Y191-W240 AromaticContact CZ-CD1 3.2Å; Y191-W240 AromaticContact CZ-CG 3.79Å; Y191-W240 AromaticContact CZ-NE1 3.77Å; Y191-D243 WeakPolarHBondContact OH-CB 3.45Å; Y191-D243 PolarHBondContact OH-OD2 3.48Å
192	E	96.1	Very high	97.6	Very high	60 Å²	60	38.1 Å²	38.1	28%	0.28	19%	0.19	S	C	.	.	H	α-helix	trans	-79.8	-32.8	-166.1	-62.7	-172.7	167.6	0	0	113.5	V188 A261	V188-E192 HydrophobicContact CG1-CG 4.03Å; V188-E192 WeakPolarHBondContact O-CB 3.45Å; V188-E192 PolarHBondContact O-N 2.85Å; E192-A261 PolarHBondContact OE1-N 3.22Å
193	I	97.7	Very high	97.6	Very high	17 Å²	17	39.5 Å²	39.5	9%	0.087	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-44.9	-173.9	-54.1	-57.3	0	0	0	112.3	R139 A142 E143 A154 F189	R139-I193 HydrophobicContact CG-CG1 3.96Å; A142-I193 HydrophobicContact CB-CD1 4.37Å; A142-I193 HydrophobicContact CB-CG2 3.88Å; E143-I193 HydrophobicContact CG-CD1 3.9Å; A154-I193 HydrophobicContact CB-CG2 4.08Å; F189-I193 HydrophobicContact CD2-CB 3.59Å; F189-I193 HydrophobicContact CD2-CG1 3.75Å; F189-I193 HydrophobicContact CD2-CG2 4.05Å; F189-I193 HydrophobicContact CE2-CB 3.66Å; F189-I193 HydrophobicContact CE2-CG1 4.17Å; F189-I193 HydrophobicContact CE2-CG2 3.59Å; F189-I193 WeakPolarHBondContact O-CB 3.42Å; F189-I193 PolarHBondContact O-N 3.5Å
194	L	97.3	Very high	97.6	Very high	58 Å²	58	39.4 Å²	39.4	30%	0.304	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-2.8	-178.6	-62.6	-172.9	0	0	0	113.8	F189 Y190 S196	F189-L194 HydrophobicContact CD1-CD1 4.03Å; F189-L194 HydrophobicContact CD1-CG 4.26Å; F189-L194 HydrophobicContact CE1-CD1 3.32Å; F189-L194 HydrophobicContact CE1-CD2 4.28Å; F189-L194 HydrophobicContact CE1-CG 3.65Å; F189-L194 HydrophobicContact CE2-CD2 4.38Å; F189-L194 HydrophobicContact CE2-CG 4.17Å; F189-L194 HydrophobicContact CZ-CD1 3.73Å; F189-L194 HydrophobicContact CZ-CD2 3.78Å; F189-L194 HydrophobicContact CZ-CG 3.58Å; F189-L194 PolarHBondContact O-N 3.36Å; F189-L194 VanDerWaalsContact O-N 3.14Å; Y190-L194 HydrophobicContact CD1-CD1 3.68Å; Y190-L194 HydrophobicContact CE1-CD1 3.78Å; Y190-L194 CarbonylContact O-C 3.44Å; L194-S196 PolarHBondContact O-N 3.24Å; L194-S196 VanDerWaalsContact O-N 3.15Å; L194-S196 PolarHBondContact O-OG 3.14Å
195	N	96.4	Very high	97.5	Very high	138 Å²	138	44.9 Å²	44.9	74%	0.738	22%	0.22	S	C	*	.			trans	46.8	45.4	-178.6	-163.5	52.5	0	0	0	112.1	Y190 Y191 P197	Y190-N195 PolarHBondContact O-N 3.43Å; Y191-N195 WeakPolarHBondContact O-CA 3.46Å; Y191-N195 PolarHBondContact O-N 2.85Å; N195-P197 WeakPolarHBondContact O-CD 3.39Å
196	S	97.1	Very high	97.6	Very high	33 Å²	33	49.7 Å²	49.7	23%	0.231	24%	0.243	C	C	.	.			trans	-121.8	65.9	-174.6	-65.8	0	0	0	0	109.7	Y190 L194 D198 R199 A200	Y190-S196 WeakPolarHBondContact O-CA 3.47Å; Y190-S196 PolarHBondContact O-N 3.24Å; L194-S196 PolarHBondContact O-N 3.24Å; L194-S196 VanDerWaalsContact O-N 3.15Å; L194-S196 PolarHBondContact O-OG 3.14Å; S196-D198 VanDerWaalsContact C-N 3.31Å; S196-D198 PolarHBondContact O-N 3.41Å; S196-R199 PolarHBondContact O-N 3.04Å; S196-A200 PolarHBondContact O-N 3.26Å
197	P	96.3	Very high	97.5	Very high	32 Å²	32	49.9 Å²	49.9	21%	0.208	25%	0.246	C	C	.	.	H	α-helix	trans	-60	-37.8	-172.2	24.9	-35.4	0	0	0	112.8	Y191 N195 R199 A200 C201 M244	Y191-P197 HydrophobicContact CD2-CB 3.86Å; Y191-P197 HydrophobicContact CE2-CB 3.77Å; N195-P197 WeakPolarHBondContact O-CD 3.39Å; P197-R199 VanDerWaalsContact C-N 3.28Å; P197-R199 PolarHBondContact O-N 3.43Å; P197-A200 WeakPolarHBondContact O-CB 3.47Å; P197-A200 PolarHBondContact O-N 2.98Å; P197-A200 VanDerWaalsContact O-N 3.16Å; P197-C201 WeakPolarHBondContact O-CB 3.41Å; P197-C201 PolarHBondContact O-N 2.83Å; P197-C201 PolarHBondContact O-SG 3.36Å; P197-C201 VanDerWaalsContact O-SG 3.41Å; P197-M244 HydrophobicContact CB-CG 4.22Å; P197-M244 HydrophobicContact CB-SD 3.92Å
198	D	95.9	Very high	97.5	Very high	100 Å²	100	51.6 Å²	51.6	54%	0.535	25%	0.254	S	S	.	.	H	α-helix	trans	-56.5	-42.5	174.4	-65.8	-47.7	0	0	0	112.3	S196 N202 M244	S196-D198 VanDerWaalsContact C-N 3.31Å; S196-D198 PolarHBondContact O-N 3.41Å; D198-N202 VanDerWaalsContact O-CB 3.29Å; D198-N202 WeakPolarHBondContact O-CB 3.41Å; D198-N202 PolarHBondContact O-N 3.31Å; D198-N202 PolarHBondContact O-ND2 3.19Å; D198-M244 WeakPolarHBondContact OD1-CE 3.33Å
199	R	97.1	Very high	97.5	Very high	154 Å²	154	55.5 Å²	55.5	58%	0.581	27%	0.274	S	S	*	.	H	α-helix	trans	-71.3	-39.2	179.1	-68	-173	-179.7	-178.2	2.3	111.4	Y190 S196 P197 L203	Y190-R199 HydrophobicContact CD1-CB 3.89Å; Y190-R199 HydrophobicContact CD2-CB 4.48Å; Y190-R199 HydrophobicContact CE1-CB 4.35Å; Y190-R199 HydrophobicContact CG-CB 3.99Å; S196-R199 PolarHBondContact O-N 3.04Å; P197-R199 VanDerWaalsContact C-N 3.28Å; P197-R199 PolarHBondContact O-N 3.43Å; R199-L203 WeakPolarHBondContact O-CB 3.41Å; R199-L203 PolarHBondContact O-N 3.38Å
200	A	97.6	Very high	97.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59.5	-52.1	175.6	0	0	0	0	0	111	S187 Y191 S196 P197 N202 L203 A204 W240	S187-A200 VanDerWaalsContact O-CB 3.22Å; S187-A200 WeakPolarHBondContact O-CB 3.37Å; Y191-A200 HydrophobicContact CD2-CB 4.28Å; S196-A200 PolarHBondContact O-N 3.26Å; P197-A200 WeakPolarHBondContact O-CB 3.47Å; P197-A200 PolarHBondContact O-N 2.98Å; P197-A200 VanDerWaalsContact O-N 3.16Å; A200-N202 PolarHBondContact O-N 2.92Å; A200-L203 PolarHBondContact O-N 2.87Å; A200-A204 WeakPolarHBondContact O-CB 3.41Å; A200-A204 PolarHBondContact O-N 3.5Å; A200-W240 HydrophobicContact CB-CE3 4.07Å; A200-W240 HydrophobicContact CB-CZ3 3.92Å
201	C	97.6	Very high	97.4	Very high	16 Å²	16	57.1 Å²	57.1	11%	0.108	28%	0.283	C	S	.	.	H	α-helix	trans	-63.1	-43.3	179.5	-69.4	0	0	0	0	112.2	P197 L203 K205 L237	P197-C201 WeakPolarHBondContact O-CB 3.41Å; P197-C201 PolarHBondContact O-N 2.83Å; P197-C201 PolarHBondContact O-SG 3.36Å; P197-C201 VanDerWaalsContact O-SG 3.41Å; C201-L203 PolarHBondContact O-N 2.91Å; C201-K205 WeakPolarHBondContact O-CB 3.41Å; C201-K205 PolarHBondContact O-N 2.96Å; C201-L237 HydrophobicContact CB-CD2 4.12Å; C201-L237 WeakPolarHBondContact O-CD2 3.46Å
202	N	97.8	Very high	97.3	Very high	108 Å²	108	59 Å²	59	58%	0.578	30%	0.295	S	S	*	.	H	α-helix	trans	-61.5	-44.3	177.6	-76.3	-40	0	0	0	112	D198 A200 Q206	D198-N202 VanDerWaalsContact O-CB 3.29Å; D198-N202 WeakPolarHBondContact O-CB 3.41Å; D198-N202 PolarHBondContact O-N 3.31Å; D198-N202 PolarHBondContact O-ND2 3.19Å; A200-N202 PolarHBondContact O-N 2.92Å; N202-Q206 VanDerWaalsContact O-CB 3.27Å; N202-Q206 WeakPolarHBondContact O-CB 3.41Å; N202-Q206 PolarHBondContact O-N 3.3Å
203	L	98	Very high	97.3	Very high	29 Å²	29	60.1 Å²	60.1	15%	0.152	32%	0.315	C	S	.	.	H	α-helix	trans	-65.9	-48.2	178.9	-179.5	61.6	0	0	0	112	F186 Y190 R199 A200 C201 K205 Q206 A207	F186-L203 HydrophobicContact CB-CD2 3.8Å; F186-L203 HydrophobicContact CD1-CD2 3.78Å; F186-L203 HydrophobicContact CG-CD2 3.75Å; Y190-L203 HydrophobicContact CD2-CD2 4.03Å; Y190-L203 HydrophobicContact CE2-CD2 3.99Å; R199-L203 WeakPolarHBondContact O-CB 3.41Å; R199-L203 PolarHBondContact O-N 3.38Å; A200-L203 PolarHBondContact O-N 2.87Å; C201-L203 PolarHBondContact O-N 2.91Å; L203-K205 VanDerWaalsContact C-N 3.34Å; L203-K205 PolarHBondContact O-N 3.46Å; L203-Q206 PolarHBondContact O-N 3.09Å; L203-A207 PolarHBondContact O-N 3.19Å
204	A	97.8	Very high	97.1	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63.3	-41.6	-180	0	0	0	0	0	111.8	A200 F208 L233 L237 W240	A200-A204 WeakPolarHBondContact O-CB 3.41Å; A200-A204 PolarHBondContact O-N 3.5Å; A204-F208 WeakPolarHBondContact O-CB 3.41Å; A204-F208 PolarHBondContact O-N 3.42Å; A204-L233 HydrophobicContact CB-CD2 3.8Å; A204-L237 HydrophobicContact CB-CD1 4.32Å; A204-L237 HydrophobicContact CB-CD2 3.83Å; A204-L237 HydrophobicContact CB-CG 3.91Å; A204-W240 HydrophobicContact CB-CZ3 4.27Å
205	K	97.7	Very high	96.9	Very high	115 Å²	115	62.4 Å²	62.4	50%	0.5	33%	0.325	S	S	.	.	H	α-helix	trans	-65.5	-45.9	177.2	-176	177.8	179.6	-176.1	0	111.8	C201 L203 A207 F208 D209 L237	C201-K205 WeakPolarHBondContact O-CB 3.41Å; C201-K205 PolarHBondContact O-N 2.96Å; L203-K205 VanDerWaalsContact C-N 3.34Å; L203-K205 PolarHBondContact O-N 3.46Å; K205-A207 PolarHBondContact O-N 3.04Å; K205-F208 PolarHBondContact O-N 2.79Å; K205-D209 WeakPolarHBondContact CE-OD2 3.48Å; K205-D209 WeakPolarHBondContact CG-OD2 3.39Å; K205-D209 WeakPolarHBondContact O-CB 3.47Å; K205-D209 VanDerWaalsContact O-CG 3.28Å; K205-D209 PolarHBondContact O-N 3.27Å; K205-L237 HydrophobicContact CB-CD1 4.15Å; K205-L237 HydrophobicContact CB-CD2 4.07Å
206	Q	98.3	Very high	96.6	Very high	103 Å²	103	64 Å²	64	48%	0.481	33%	0.333	S	S	.	.	H	α-helix	trans	-57.5	-49.5	177.2	179.6	-178.8	-10.1	0	0	111.1	N202 L203 F208 D209 E210	N202-Q206 VanDerWaalsContact O-CB 3.27Å; N202-Q206 WeakPolarHBondContact O-CB 3.41Å; N202-Q206 PolarHBondContact O-N 3.3Å; L203-Q206 PolarHBondContact O-N 3.09Å; Q206-F208 VanDerWaalsContact C-N 3.32Å; Q206-F208 PolarHBondContact O-N 2.91Å; Q206-D209 PolarHBondContact O-N 3.48Å; Q206-E210 HydrophobicContact CG-CG 4.33Å; Q206-E210 VanDerWaalsContact CG-OE1 3.26Å; Q206-E210 WeakPolarHBondContact CG-OE1 3.47Å; Q206-E210 PolarHBondContact NE2-OE1 2.83Å; Q206-E210 WeakPolarHBondContact O-CB 3.44Å; Q206-E210 VanDerWaalsContact O-CG 3.27Å; Q206-E210 WeakPolarHBondContact O-CG 3.43Å; Q206-E210 PolarHBondContact O-N 3.03Å
207	A	98.1	Very high	96.2	Very high	12 Å²	12	67.4 Å²	67.4	10%	0.099	35%	0.353	C	S	.	.	H	α-helix	trans	-62.3	-39.9	179.4	0	0	0	0	0	112.5	A183 L203 K205 A211 L233	A183-A207 HydrophobicContact CB-CB 3.41Å; A183-A207 VanDerWaalsContact CB-CB 3.41Å; L203-A207 PolarHBondContact O-N 3.19Å; K205-A207 PolarHBondContact O-N 3.04Å; A207-A211 VanDerWaalsContact O-CB 3.28Å; A207-A211 WeakPolarHBondContact O-CB 3.46Å; A207-A211 PolarHBondContact O-N 3.19Å; A207-L233 HydrophobicContact CB-CD1 4.31Å
208	F	97.6	Very high	95.8	Very high	37 Å²	37	67.2 Å²	67.2	16%	0.162	35%	0.35	C	S	.	.	H	α-helix	trans	-65.4	-46.8	177	-174.9	-98.7	0	0	0	112.2	A204 K205 Q206 A211 I212 M230 L233 R234	A204-F208 WeakPolarHBondContact O-CB 3.41Å; A204-F208 PolarHBondContact O-N 3.42Å; K205-F208 PolarHBondContact O-N 2.79Å; Q206-F208 VanDerWaalsContact C-N 3.32Å; Q206-F208 PolarHBondContact O-N 2.91Å; F208-A211 PolarHBondContact O-N 3.03Å; F208-I212 HydrophobicContact CD1-CD1 3.66Å; F208-I212 HydrophobicContact CD1-CG1 4.38Å; F208-I212 HydrophobicContact CE1-CD1 3.11Å; F208-I212 HydrophobicContact CE1-CG1 4.16Å; F208-I212 HydrophobicContact CE2-CD1 4.28Å; F208-I212 HydrophobicContact CG-CD1 4.46Å; F208-I212 HydrophobicContact CZ-CD1 3.48Å; F208-I212 VanDerWaalsContact CZ-CD1 3.48Å; F208-I212 HydrophobicContact CZ-CG1 4.32Å; F208-I212 WeakPolarHBondContact O-CG1 3.46Å; F208-I212 PolarHBondContact O-N 3.21Å; F208-M230 HydrophobicContact CD2-CB 4.06Å; F208-M230 WeakPolarHBondContact CD2-O 3.46Å; F208-M230 HydrophobicContact CE2-CB 4.02Å; F208-M230 VanDerWaalsContact CE2-O 3.27Å; F208-M230 WeakPolarHBondContact CE2-O 3.22Å; F208-L233 HydrophobicContact CD2-CB 4.39Å; F208-R234 HydrophobicContact CD2-CB 4.41Å; F208-R234 HydrophobicContact CE2-CB 3.86Å; F208-R234 HydrophobicContact CE2-CG 4.43Å; F208-R234 HydrophobicContact CZ-CB 4.14Å; F208-R234 HydrophobicContact CZ-CG 4.21Å
209	D	98	Very high	95.4	Very high	81 Å²	81	64.6 Å²	64.6	43%	0.433	35%	0.346	S	S	.	.	H	α-helix	trans	-66.1	-42.4	-179.4	-70.3	-15.6	0	0	0	111.4	K205 Q206 I212 A213	K205-D209 WeakPolarHBondContact CE-OD2 3.48Å; K205-D209 WeakPolarHBondContact CG-OD2 3.39Å; K205-D209 WeakPolarHBondContact O-CB 3.47Å; K205-D209 VanDerWaalsContact O-CG 3.28Å; K205-D209 PolarHBondContact O-N 3.27Å; Q206-D209 PolarHBondContact O-N 3.48Å; D209-I212 PolarHBondContact O-N 3.47Å; D209-A213 PolarHBondContact O-N 3.47Å; D209-A213 VanDerWaalsContact O-N 3.12Å
210	E	97.6	Very high	95	Very high	61 Å²	61	66.3 Å²	66.3	29%	0.285	36%	0.361	S	S	.	.	H	α-helix	trans	-61.6	-43.5	174.8	-72.2	175.9	-174.3	0	0	111.6	P174 R179 Q206 A213 E214	P174-E210 HydrophobicContact CB-CB 3.92Å; P174-E210 HydrophobicContact CG-CB 4.42Å; R179-E210 IonicContact CZ-OE2 3.89Å; R179-E210 IonicContact NH2-OE2 2.8Å; R179-E210 PolarHBondContact NH2-OE2 3.21Å; Q206-E210 HydrophobicContact CG-CG 4.33Å; Q206-E210 VanDerWaalsContact CG-OE1 3.26Å; Q206-E210 WeakPolarHBondContact CG-OE1 3.47Å; Q206-E210 PolarHBondContact NE2-OE1 2.83Å; Q206-E210 WeakPolarHBondContact O-CB 3.44Å; Q206-E210 VanDerWaalsContact O-CG 3.27Å; Q206-E210 WeakPolarHBondContact O-CG 3.43Å; Q206-E210 PolarHBondContact O-N 3.03Å; E210-A213 PolarHBondContact O-N 3.38Å; E210-E214 PolarHBondContact O-N 3.34Å
211	A	96.6	Very high	94.4	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-71	-35.1	179.5	0	0	0	0	0	113.1	T175 L180 A207 F208 A213 E214 L215 M230	T175-A211 HydrophobicContact CG2-CB 4.32Å; T175-A211 VanDerWaalsContact CG2-O 3.32Å; T175-A211 WeakPolarHBondContact CG2-O 3.46Å; L180-A211 HydrophobicContact CD1-CB 4.49Å; L180-A211 HydrophobicContact CD2-CB 3.75Å; A207-A211 VanDerWaalsContact O-CB 3.28Å; A207-A211 WeakPolarHBondContact O-CB 3.46Å; A207-A211 PolarHBondContact O-N 3.19Å; F208-A211 PolarHBondContact O-N 3.03Å; A211-A213 VanDerWaalsContact C-N 3.32Å; A211-E214 CarbonylContact O-C 3.6Å; A211-E214 PolarHBondContact O-N 3.06Å; A211-L215 PolarHBondContact O-N 2.85Å; A211-M230 HydrophobicContact CB-CE 3.98Å; A211-M230 HydrophobicContact CB-CG 4.27Å; A211-M230 HydrophobicContact CB-SD 4.03Å
212	I	96.1	Very high	94.1	Very high	84 Å²	84	76.6 Å²	76.6	43%	0.431	41%	0.412	S	S	.	.	H	α-helix	trans	-61.2	-42.9	172.4	-78.9	-176.5	0	0	0	110.9	F208 D209 E214 L215 M230	F208-I212 HydrophobicContact CD1-CD1 3.66Å; F208-I212 HydrophobicContact CD1-CG1 4.38Å; F208-I212 HydrophobicContact CE1-CD1 3.11Å; F208-I212 HydrophobicContact CE1-CG1 4.16Å; F208-I212 HydrophobicContact CE2-CD1 4.28Å; F208-I212 HydrophobicContact CG-CD1 4.46Å; F208-I212 HydrophobicContact CZ-CD1 3.48Å; F208-I212 VanDerWaalsContact CZ-CD1 3.48Å; F208-I212 HydrophobicContact CZ-CG1 4.32Å; F208-I212 WeakPolarHBondContact O-CG1 3.46Å; F208-I212 PolarHBondContact O-N 3.21Å; D209-I212 PolarHBondContact O-N 3.47Å; I212-E214 PolarHBondContact O-N 3.23Å; I212-L215 PolarHBondContact O-N 3.2Å; I212-M230 HydrophobicContact CB-CE 4.48Å; I212-M230 HydrophobicContact CG1-CE 3.54Å
213	A	96.2	Very high	93.7	Very high	84 Å²	84	76.9 Å²	76.9	69%	0.694	41%	0.406	S	S	*	.	H	α-helix	trans	-62.6	-24	-177.5	0	0	0	0	0	113.3	D209 E210 A211	D209-A213 PolarHBondContact O-N 3.47Å; D209-A213 VanDerWaalsContact O-N 3.12Å; E210-A213 PolarHBondContact O-N 3.38Å; A211-A213 VanDerWaalsContact C-N 3.32Å
214	E	94.8	Very high	93.5	Very high	79 Å²	79	82.9 Å²	82.9	37%	0.369	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	11.4	-179.4	-64.2	-171.1	-158.5	0	0	113.3	P174 T175 E210 A211 I212 D216 T217	P174-E214 WeakPolarHBondContact CD-OE2 3.4Å; T175-E214 HydrophobicContact CG2-CB 4Å; E210-E214 PolarHBondContact O-N 3.34Å; A211-E214 CarbonylContact O-C 3.6Å; A211-E214 PolarHBondContact O-N 3.06Å; I212-E214 PolarHBondContact O-N 3.23Å; E214-D216 PolarHBondContact O-N 2.71Å; E214-T217 PolarHBondContact O-N 2.99Å; E214-T217 PolarHBondContact O-OG1 3.33Å
215	L	91.9	Very high	93.2	Very high	45 Å²	45	84.9 Å²	84.9	24%	0.236	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-61.7	-33.2	-174.1	-171.9	61.8	0	0	0	112.7	A211 I212 T217 L218 Y223 T227 M230	A211-L215 PolarHBondContact O-N 2.85Å; I212-L215 PolarHBondContact O-N 3.2Å; L215-T217 PolarHBondContact O-N 2.9Å; L215-L218 HydrophobicContact CD1-CD2 3.92Å; L215-L218 VanDerWaalsContact O-CB 3.25Å; L215-L218 WeakPolarHBondContact O-CB 3.42Å; L215-L218 PolarHBondContact O-N 2.92Å; L215-L218 VanDerWaalsContact O-N 3.14Å; L215-Y223 HydrophobicContact CD1-CE2 4.47Å; L215-T227 HydrophobicContact CD1-CG2 4.18Å; L215-M230 HydrophobicContact CD1-CE 4.37Å; L215-M230 HydrophobicContact CD1-SD 4.04Å; L215-M230 HydrophobicContact CD2-CE 4.48Å
216	D	91.2	Very high	93.1	Very high	170 Å²	170	79.4 Å²	79.4	91%	0.909	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-65.6	-17.1	179.3	-68.5	-22.8	0	0	0	113.4	E214	E214-D216 PolarHBondContact O-N 2.71Å
217	T	87.2	Confident	92.9	Very high	105 Å²	105	76.6 Å²	76.6	64%	0.644	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-92	-2.9	178.2	72	0	0	0	0	113.1	E214 L215	E214-T217 PolarHBondContact O-N 2.99Å; E214-T217 PolarHBondContact O-OG1 3.33Å; L215-T217 PolarHBondContact O-N 2.9Å
218	L	88.6	Confident	92.8	Very high	28 Å²	28	79 Å²	79	15%	0.147	42%	0.418	C	S	.	.			trans	-77.1	126.6	-172.5	-171.1	58.6	0	0	0	111.7	L215 Y223	L215-L218 HydrophobicContact CD1-CD2 3.92Å; L215-L218 VanDerWaalsContact O-CB 3.25Å; L215-L218 WeakPolarHBondContact O-CB 3.42Å; L215-L218 PolarHBondContact O-N 2.92Å; L215-L218 VanDerWaalsContact O-N 3.14Å; L218-Y223 HydrophobicContact CB-CD2 4.47Å; L218-Y223 HydrophobicContact CD2-CD2 4.05Å; L218-Y223 HydrophobicContact CG-CD2 4.37Å
219	G	87.5	Confident	92.7	Very high	45 Å²	45	77.3 Å²	77.3	46%	0.464	41%	0.411	S	S	.	.			trans	-71.7	155.8	176.4	0	0	0	0	0	113.3	E221 S222 Y223	G219-E221 PolarHBondContact O-N 3.09Å; G219-S222 PolarHBondContact O-N 3.33Å; G219-Y223 PolarHBondContact O-N 3.39Å; G219-Y223 VanDerWaalsContact O-N 3.08Å
220	E	88.3	Confident	92.7	Very high	191 Å²	191	73.9 Å²	73.9	89%	0.893	39%	0.393	S	S	*	.	H	α-helix	trans	-56.8	-35	-177.6	-69.7	-174	171.8	0	0	113.3	S222 Y223	E220-S222 PolarHBondContact O-N 2.66Å; E220-Y223 PolarHBondContact O-N 3.46Å
221	E	86.5	Confident	92.6	Very high	189 Å²	189	74 Å²	74	88%	0.883	39%	0.393	S	S	*	.	H	α-helix	trans	-62	-40	-178.1	-65.7	-173.7	170.6	0	0	112.7	G219	G219-E221 PolarHBondContact O-N 3.09Å
222	S	89.5	Confident	92.7	Very high	42 Å²	42	74.7 Å²	74.7	29%	0.294	40%	0.397	S	S	.	.	H	α-helix	trans	-98.7	-8.2	-178.5	-55.1	0	0	0	0	113.4	G219 E220 K224 D225 S226	G219-S222 PolarHBondContact O-N 3.33Å; E220-S222 PolarHBondContact O-N 2.66Å; S222-K224 PolarHBondContact O-N 3.45Å; S222-D225 PolarHBondContact O-N 2.75Å; S222-S226 WeakPolarHBondContact O-CB 3.33Å; S222-S226 PolarHBondContact O-N 3.48Å; S222-S226 PolarHBondContact O-OG 3.34Å
223	Y	90.7	Very high	92.7	Very high	115 Å²	115	70.7 Å²	70.7	45%	0.451	38%	0.376	S	S	.	.	H	α-helix	trans	-58.4	-51.2	-172.7	-172.6	-89.6	0	0	0	112.7	L215 L218 G219 E220 D225 T227	L215-Y223 HydrophobicContact CD1-CE2 4.47Å; L218-Y223 HydrophobicContact CB-CD2 4.47Å; L218-Y223 HydrophobicContact CD2-CD2 4.05Å; L218-Y223 HydrophobicContact CG-CD2 4.37Å; G219-Y223 PolarHBondContact O-N 3.39Å; G219-Y223 VanDerWaalsContact O-N 3.08Å; E220-Y223 PolarHBondContact O-N 3.46Å; Y223-D225 VanDerWaalsContact C-N 3.28Å; Y223-D225 PolarHBondContact O-N 3.44Å; Y223-T227 HydrophobicContact CD1-CG2 4.19Å; Y223-T227 HydrophobicContact CD2-CG2 4.47Å; Y223-T227 HydrophobicContact CE1-CG2 3.86Å; Y223-T227 HydrophobicContact CE2-CG2 4.17Å; Y223-T227 HydrophobicContact CG-CG2 4.48Å; Y223-T227 WeakPolarHBondContact O-CB 3.19Å; Y223-T227 VanDerWaalsContact O-CG2 3.31Å; Y223-T227 WeakPolarHBondContact O-CG2 3.32Å; Y223-T227 PolarHBondContact O-N 2.82Å; Y223-T227 PolarHBondContact O-OG1 2.88Å
224	K	92.7	Very high	92.8	Very high	154 Å²	154	72 Å²	72	67%	0.67	36%	0.363	S	S	*	.	H	α-helix	trans	-60.2	-41.3	-177.2	-178.5	-177.9	178.8	-175.7	0	112.1	S222 T227 L228	S222-K224 PolarHBondContact O-N 3.45Å; K224-T227 PolarHBondContact O-OG1 3.34Å; K224-L228 WeakPolarHBondContact O-CB 3.39Å; K224-L228 PolarHBondContact O-N 3.06Å
225	D	92.3	Very high	92.9	Very high	43 Å²	43	71.5 Å²	71.5	23%	0.23	36%	0.363	C	S	.	.	H	α-helix	trans	-79.7	-42.3	-173.9	-80.8	-25.6	0	0	0	112.1	S222 Y223 L228 I229 K265 I267	S222-D225 PolarHBondContact O-N 2.75Å; Y223-D225 VanDerWaalsContact C-N 3.28Å; Y223-D225 PolarHBondContact O-N 3.44Å; D225-L228 PolarHBondContact O-N 3.09Å; D225-I229 WeakPolarHBondContact O-CG1 3.5Å; D225-I229 PolarHBondContact O-N 3.42Å; D225-K265 IonicContact OD1-NZ 3.43Å; D225-K265 PolarHBondContact OD1-NZ 3.41Å; D225-I267 HydrophobicContact CB-CD1 3.45Å; D225-I267 VanDerWaalsContact CB-CD1 3.45Å; D225-I267 HydrophobicContact CB-CG1 4.34Å
226	S	94.4	Very high	93	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-63.1	-45.7	176.4	-46.8	0	0	0	0	111.5	T175 P177 S222 L228 I229 M230	T175-S226 WeakPolarHBondContact O-CB 3.44Å; T175-S226 PolarHBondContact O-OG 3.2Å; P177-S226 WeakPolarHBondContact CG-OG 3.5Å; S222-S226 WeakPolarHBondContact O-CB 3.33Å; S222-S226 PolarHBondContact O-N 3.48Å; S222-S226 PolarHBondContact O-OG 3.34Å; S226-L228 VanDerWaalsContact C-N 3.31Å; S226-L228 PolarHBondContact O-N 3.46Å; S226-I229 PolarHBondContact O-N 3.02Å; S226-I229 VanDerWaalsContact O-N 3.13Å; S226-M230 VanDerWaalsContact O-CG 3.26Å; S226-M230 WeakPolarHBondContact O-CG 3.36Å; S226-M230 PolarHBondContact O-N 3.16Å
227	T	95	Very high	93.2	Very high	44 Å²	44	62.8 Å²	62.8	27%	0.27	32%	0.317	S	S	.	.	H	α-helix	trans	-64.7	-34.4	179	52.4	0	0	0	0	112.6	L215 Y223 K224 Q231	L215-T227 HydrophobicContact CD1-CG2 4.18Å; Y223-T227 HydrophobicContact CD1-CG2 4.19Å; Y223-T227 HydrophobicContact CD2-CG2 4.47Å; Y223-T227 HydrophobicContact CE1-CG2 3.86Å; Y223-T227 HydrophobicContact CE2-CG2 4.17Å; Y223-T227 HydrophobicContact CG-CG2 4.48Å; Y223-T227 WeakPolarHBondContact O-CB 3.19Å; Y223-T227 VanDerWaalsContact O-CG2 3.31Å; Y223-T227 WeakPolarHBondContact O-CG2 3.32Å; Y223-T227 PolarHBondContact O-N 2.82Å; Y223-T227 PolarHBondContact O-OG1 2.88Å; K224-T227 PolarHBondContact O-OG1 3.34Å; T227-Q231 WeakPolarHBondContact O-CB 3.41Å; T227-Q231 PolarHBondContact O-N 3.13Å
228	L	95.5	Very high	93.6	Very high	62 Å²	62	62.1 Å²	62.1	33%	0.325	31%	0.313	S	S	.	.	H	α-helix	trans	-65.9	-41.1	172.4	177.7	60.8	0	0	0	111.9	K224 D225 S226 Q231 L232 K265	K224-L228 WeakPolarHBondContact O-CB 3.39Å; K224-L228 PolarHBondContact O-N 3.06Å; D225-L228 PolarHBondContact O-N 3.09Å; S226-L228 VanDerWaalsContact C-N 3.31Å; S226-L228 PolarHBondContact O-N 3.46Å; L228-Q231 WeakPolarHBondContact O-CB 3.24Å; L228-Q231 PolarHBondContact O-N 3.29Å; L228-L232 WeakPolarHBondContact O-CG 3.38Å; L228-L232 PolarHBondContact O-N 2.8Å; L228-L232 VanDerWaalsContact O-N 3.07Å; L228-K265 HydrophobicContact CD2-CD 3.49Å; L228-K265 VanDerWaalsContact CD2-CD 3.49Å; L228-K265 HydrophobicContact CD2-CG 4.13Å; L228-K265 VanDerWaalsContact CD2-NZ 3.32Å
229	I	96.4	Very high	93.9	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-68.1	-40.9	177	-62.3	164.4	0	0	0	111	P177 L180 L184 D225 S226 Q231 L232 L233 I267	P177-I229 HydrophobicContact CB-CD1 4.16Å; P177-I229 WeakPolarHBondContact O-CD1 3.33Å; L180-I229 HydrophobicContact CB-CB 4.15Å; L180-I229 HydrophobicContact CB-CD1 4.34Å; L180-I229 HydrophobicContact CB-CG2 3.65Å; L184-I229 HydrophobicContact CB-CG2 4.27Å; L184-I229 HydrophobicContact CD2-CG2 4.23Å; D225-I229 WeakPolarHBondContact O-CG1 3.5Å; D225-I229 PolarHBondContact O-N 3.42Å; S226-I229 PolarHBondContact O-N 3.02Å; S226-I229 VanDerWaalsContact O-N 3.13Å; I229-Q231 VanDerWaalsContact C-N 3.25Å; I229-Q231 PolarHBondContact O-N 3.22Å; I229-L232 WeakPolarHBondContact O-CB 3.28Å; I229-L232 PolarHBondContact O-N 2.97Å; I229-L232 VanDerWaalsContact O-N 3.13Å; I229-L233 HydrophobicContact CG2-CD1 4.46Å; I229-L233 PolarHBondContact O-N 3.4Å; I229-I267 HydrophobicContact CD1-CD1 3.6Å
230	M	97.3	Very high	94.2	Very high	10 Å²	10	61.6 Å²	61.6	5%	0.049	30%	0.299	C	S	.	.	H	α-helix	trans	-59.1	-39.2	173.8	-68.6	168.8	72.5	0	0	111.6	L180 F208 A211 I212 L215 S226 L233 R234	L180-M230 HydrophobicContact CD1-CG 4.01Å; L180-M230 HydrophobicContact CD2-CG 4.23Å; F208-M230 HydrophobicContact CD2-CB 4.06Å; F208-M230 WeakPolarHBondContact CD2-O 3.46Å; F208-M230 HydrophobicContact CE2-CB 4.02Å; F208-M230 VanDerWaalsContact CE2-O 3.27Å; F208-M230 WeakPolarHBondContact CE2-O 3.22Å; A211-M230 HydrophobicContact CB-CE 3.98Å; A211-M230 HydrophobicContact CB-CG 4.27Å; A211-M230 HydrophobicContact CB-SD 4.03Å; I212-M230 HydrophobicContact CB-CE 4.48Å; I212-M230 HydrophobicContact CG1-CE 3.54Å; L215-M230 HydrophobicContact CD1-CE 4.37Å; L215-M230 HydrophobicContact CD1-SD 4.04Å; L215-M230 HydrophobicContact CD2-CE 4.48Å; S226-M230 VanDerWaalsContact O-CG 3.26Å; S226-M230 WeakPolarHBondContact O-CG 3.36Å; S226-M230 PolarHBondContact O-N 3.16Å; M230-L233 PolarHBondContact O-N 2.59Å; M230-R234 PolarHBondContact O-N 2.98Å
231	Q	96.8	Very high	94.4	Very high	63 Å²	63	55.4 Å²	55.4	29%	0.294	27%	0.274	S	S	.	.	H	α-helix	trans	-60.5	-46.2	173.6	173.8	58.9	39.9	0	0	111.6	T227 L228 I229 R234 D235	T227-Q231 WeakPolarHBondContact O-CB 3.41Å; T227-Q231 PolarHBondContact O-N 3.13Å; L228-Q231 WeakPolarHBondContact O-CB 3.24Å; L228-Q231 PolarHBondContact O-N 3.29Å; I229-Q231 VanDerWaalsContact C-N 3.25Å; I229-Q231 PolarHBondContact O-N 3.22Å; Q231-R234 PolarHBondContact O-N 3.5Å; Q231-D235 PolarHBondContact NE2-OD1 2.93Å; Q231-D235 PolarHBondContact NE2-OD2 2.65Å; Q231-D235 PolarHBondContact O-N 3.26Å
232	L	97.2	Very high	94.5	Very high	15 Å²	15	48.7 Å²	48.7	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-62.8	-41.9	176	-66.6	172.9	0	0	0	112.6	L184 L228 I229 R234 D235 N236	L184-L232 HydrophobicContact CD1-CB 4.15Å; L184-L232 HydrophobicContact CD2-CB 3.97Å; L184-L232 HydrophobicContact CD2-CD1 3.92Å; L228-L232 WeakPolarHBondContact O-CG 3.38Å; L228-L232 PolarHBondContact O-N 2.8Å; L228-L232 VanDerWaalsContact O-N 3.07Å; I229-L232 WeakPolarHBondContact O-CB 3.28Å; I229-L232 PolarHBondContact O-N 2.97Å; I229-L232 VanDerWaalsContact O-N 3.13Å; L232-R234 VanDerWaalsContact C-N 3.33Å; L232-R234 PolarHBondContact O-N 3.36Å; L232-D235 PolarHBondContact O-N 3.1Å; L232-N236 PolarHBondContact O-N 3.45Å
233	L	97.3	Very high	94.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.7	-45.9	174.2	-78.5	168.3	0	0	0	111.6	L180 L184 A204 A207 F208 I229 M230 N236 L237	L180-L233 HydrophobicContact CD2-CD1 4.04Å; L184-L233 HydrophobicContact CB-CD2 3.98Å; L184-L233 HydrophobicContact CB-CG 4.29Å; L184-L233 HydrophobicContact CD1-CD2 3.94Å; L184-L233 HydrophobicContact CD1-CG 4.17Å; A204-L233 HydrophobicContact CB-CD2 3.8Å; A207-L233 HydrophobicContact CB-CD1 4.31Å; F208-L233 HydrophobicContact CD2-CB 4.39Å; I229-L233 HydrophobicContact CG2-CD1 4.46Å; I229-L233 PolarHBondContact O-N 3.4Å; M230-L233 PolarHBondContact O-N 2.59Å; L233-N236 PolarHBondContact O-N 3.37Å; L233-L237 WeakPolarHBondContact O-CG 3.34Å; L233-L237 PolarHBondContact O-N 3.2Å
234	R	96.9	Very high	94	Very high	112 Å²	112	46.8 Å²	46.8	42%	0.423	24%	0.241	S	C	.	.	H	α-helix	trans	-63.8	-41.7	177.9	-168.6	-166.3	73.2	-155.2	2.4	112.1	F208 M230 Q231 L232 L237 T238	F208-R234 HydrophobicContact CD2-CB 4.41Å; F208-R234 HydrophobicContact CE2-CB 3.86Å; F208-R234 HydrophobicContact CE2-CG 4.43Å; F208-R234 HydrophobicContact CZ-CB 4.14Å; F208-R234 HydrophobicContact CZ-CG 4.21Å; M230-R234 PolarHBondContact O-N 2.98Å; Q231-R234 PolarHBondContact O-N 3.5Å; L232-R234 VanDerWaalsContact C-N 3.33Å; L232-R234 PolarHBondContact O-N 3.36Å; R234-L237 PolarHBondContact O-N 3.22Å; R234-T238 PolarHBondContact O-N 2.95Å; R234-T238 PolarHBondContact O-OG1 3.19Å
235	D	97.1	Very high	93.4	Very high	67 Å²	67	45.5 Å²	45.5	36%	0.358	24%	0.237	S	C	.	.	H	α-helix	trans	-66.6	-41.8	-179.2	-65.4	-13	0	0	0	110.5	Q231 L232 T238 L239	Q231-D235 PolarHBondContact NE2-OD1 2.93Å; Q231-D235 PolarHBondContact NE2-OD2 2.65Å; Q231-D235 PolarHBondContact O-N 3.26Å; L232-D235 PolarHBondContact O-N 3.1Å; D235-T238 WeakPolarHBondContact O-CB 3.48Å; D235-T238 PolarHBondContact O-N 2.88Å; D235-L239 PolarHBondContact O-N 3.31Å
236	N	95.5	Very high	92.4	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.043	26%	0.259	C	S	.	.	H	α-helix	trans	-61.6	-45.5	172.4	-77.1	-4.7	0	0	0	112.4	L184 L232 L233 T238 L239 W240	L184-N236 VanDerWaalsContact CD1-ND2 3.29Å; L184-N236 WeakPolarHBondContact CD1-ND2 3.33Å; L232-N236 PolarHBondContact O-N 3.45Å; L233-N236 PolarHBondContact O-N 3.37Å; N236-T238 PolarHBondContact O-N 2.81Å; N236-L239 PolarHBondContact O-N 3.47Å; N236-W240 HydrophobicContact CB-CD2 4.19Å; N236-W240 HydrophobicContact CB-CE3 4.15Å; N236-W240 HydrophobicContact CB-CH2 3.73Å; N236-W240 HydrophobicContact CB-CZ2 3.77Å; N236-W240 HydrophobicContact CB-CZ3 3.92Å; N236-W240 WeakPolarHBondContact O-CB 3.33Å; N236-W240 VanDerWaalsContact O-CD2 3.31Å; N236-W240 PolarHBondContact O-N 3.21Å
237	L	95.5	Very high	90.7	Very high	25 Å²	25	57.6 Å²	57.6	13%	0.131	30%	0.296	C	S	.	.	H	α-helix	trans	-57.5	-40.4	175.5	-77.3	168.3	0	0	0	112.1	C201 A204 K205 L233 R234 T241	C201-L237 HydrophobicContact CB-CD2 4.12Å; C201-L237 WeakPolarHBondContact O-CD2 3.46Å; A204-L237 HydrophobicContact CB-CD1 4.32Å; A204-L237 HydrophobicContact CB-CD2 3.83Å; A204-L237 HydrophobicContact CB-CG 3.91Å; K205-L237 HydrophobicContact CB-CD1 4.15Å; K205-L237 HydrophobicContact CB-CD2 4.07Å; L233-L237 WeakPolarHBondContact O-CG 3.34Å; L233-L237 PolarHBondContact O-N 3.2Å; R234-L237 PolarHBondContact O-N 3.22Å; L237-T241 WeakPolarHBondContact O-CB 3.19Å; L237-T241 PolarHBondContact O-N 3.17Å; L237-T241 PolarHBondContact O-OG1 3.15Å
238	T	95	Very high	88	Confident	91 Å²	91	59.3 Å²	59.3	56%	0.558	31%	0.31	S	S	*	.	H	α-helix	trans	-64.4	-48.1	178.5	-55.8	0	0	0	0	110.5	R234 D235 N236 S242	R234-T238 PolarHBondContact O-N 2.95Å; R234-T238 PolarHBondContact O-OG1 3.19Å; D235-T238 WeakPolarHBondContact O-CB 3.48Å; D235-T238 PolarHBondContact O-N 2.88Å; N236-T238 PolarHBondContact O-N 2.81Å; T238-S242 PolarHBondContact O-N 2.87Å; T238-S242 VanDerWaalsContact O-N 3.16Å; T238-S242 PolarHBondContact O-OG 3.46Å
239	L	94	Very high	85.6	Confident	60 Å²	60	62.7 Å²	62.7	31%	0.314	34%	0.336	S	S	.	.	H	α-helix	trans	-61.6	-51.4	178.8	179.5	65.3	0	0	0	112.1	D235 N236 T241 S242 D243	D235-L239 PolarHBondContact O-N 3.31Å; N236-L239 PolarHBondContact O-N 3.47Å; L239-T241 VanDerWaalsContact C-N 3.33Å; L239-T241 PolarHBondContact O-N 2.97Å; L239-S242 PolarHBondContact O-N 2.89Å; L239-S242 PolarHBondContact O-OG 3.2Å; L239-D243 VanDerWaalsContact O-CG 3.31Å; L239-D243 PolarHBondContact O-N 3.04Å
240	W	95.1	Very high	83	Confident	2 Å²	2	71 Å²	71	1%	0.008	38%	0.375	C	S	.	.	H	α-helix	trans	-69.3	-33	-175.5	-58.6	-24	0	0	0	112.4	S187 V188 Y191 A200 A204 N236 D243 M244 A261	S187-W240 WeakPolarHBondContact OG-CH2 3.38Å; V188-W240 HydrophobicContact CG2-CH2 4.11Å; V188-W240 HydrophobicContact CG2-CZ2 4.09Å; Y191-W240 AromaticContact CD1-CD1 3.79Å; Y191-W240 AromaticContact CD1-CE2 3.95Å; Y191-W240 HydrophobicContact CD1-CG 4.46Å; Y191-W240 AromaticContact CD1-NE1 3.42Å; Y191-W240 HydrophobicContact CD2-CB 4.05Å; Y191-W240 AromaticContact CD2-CD1 3.63Å; Y191-W240 AromaticContact CD2-CD2 3.71Å; Y191-W240 HydrophobicContact CD2-CD2 3.71Å; Y191-W240 AromaticContact CD2-CE2 3.9Å; Y191-W240 HydrophobicContact CD2-CE3 4.4Å; Y191-W240 AromaticContact CD2-CG 3.53Å; Y191-W240 HydrophobicContact CD2-CG 3.53Å; Y191-W240 AromaticContact CD2-NE1 3.83Å; Y191-W240 AromaticContact CE1-CD1 3.45Å; Y191-W240 VanDerWaalsContact CE1-CD1 3.45Å; Y191-W240 HydrophobicContact CE1-CG 4.31Å; Y191-W240 AromaticContact CE1-NE1 3.5Å; Y191-W240 HydrophobicContact CE2-CB 3.6Å; Y191-W240 AromaticContact CE2-CD1 3.31Å; Y191-W240 HydrophobicContact CE2-CD2 4.08Å; Y191-W240 AromaticContact CE2-CG 3.38Å; Y191-W240 HydrophobicContact CE2-CG 3.38Å; Y191-W240 AromaticContact CE2-NE1 3.93Å; Y191-W240 AromaticContact CG-CD1 3.87Å; Y191-W240 AromaticContact CG-CD2 4Å; Y191-W240 HydrophobicContact CG-CD2 4Å; Y191-W240 AromaticContact CG-CE2 3.67Å; Y191-W240 HydrophobicContact CG-CG 4.1Å; Y191-W240 HydrophobicContact CG-CZ2 4.16Å; Y191-W240 AromaticContact CG-NE1 3.59Å; Y191-W240 AromaticContact CZ-CD1 3.2Å; Y191-W240 AromaticContact CZ-CG 3.79Å; Y191-W240 AromaticContact CZ-NE1 3.77Å; A200-W240 HydrophobicContact CB-CE3 4.07Å; A200-W240 HydrophobicContact CB-CZ3 3.92Å; A204-W240 HydrophobicContact CB-CZ3 4.27Å; N236-W240 HydrophobicContact CB-CD2 4.19Å; N236-W240 HydrophobicContact CB-CE3 4.15Å; N236-W240 HydrophobicContact CB-CH2 3.73Å; N236-W240 HydrophobicContact CB-CZ2 3.77Å; N236-W240 HydrophobicContact CB-CZ3 3.92Å; N236-W240 WeakPolarHBondContact O-CB 3.33Å; N236-W240 VanDerWaalsContact O-CD2 3.31Å; N236-W240 PolarHBondContact O-N 3.21Å; W240-D243 PolarHBondContact O-N 2.96Å; W240-M244 VanDerWaalsContact O-CG 3.25Å; W240-M244 WeakPolarHBondContact O-CG 3.46Å; W240-M244 PolarHBondContact O-N 3.05Å; W240-M244 VanDerWaalsContact O-N 3.16Å; W240-A261 HydrophobicContact CZ2-CB 3.91Å
241	T	91.5	Very high	80.2	Confident	61 Å²	61	77.9 Å²	77.9	37%	0.374	41%	0.407	S	S	.	.	H	α-helix	trans	-71.9	-30.8	176.5	-53.4	0	0	0	0	111.9	L237 L239 Q245	L237-T241 WeakPolarHBondContact O-CB 3.19Å; L237-T241 PolarHBondContact O-N 3.17Å; L237-T241 PolarHBondContact O-OG1 3.15Å; L239-T241 VanDerWaalsContact C-N 3.33Å; L239-T241 PolarHBondContact O-N 2.97Å; T241-Q245 WeakPolarHBondContact O-CG 3.37Å; T241-Q245 PolarHBondContact O-N 3.42Å
242	S	89.9	Confident	77.4	Confident	48 Å²	48	83.4 Å²	83.4	34%	0.336	44%	0.437	S	S	.	.	H	α-helix	trans	-69.9	-43.9	171.7	53.5	0	0	0	0	111.8	T238 L239 M244 Q245 D246	T238-S242 PolarHBondContact O-N 2.87Å; T238-S242 VanDerWaalsContact O-N 3.16Å; T238-S242 PolarHBondContact O-OG 3.46Å; L239-S242 PolarHBondContact O-N 2.89Å; L239-S242 PolarHBondContact O-OG 3.2Å; S242-M244 PolarHBondContact O-N 3.44Å; S242-Q245 PolarHBondContact O-N 3.29Å; S242-D246 PolarHBondContact O-N 3.41Å
243	D	84.6	Confident	74.6	Confident	45 Å²	45	90 Å²	90	24%	0.241	46%	0.464	C	S	.	.	H	α-helix	trans	-57.7	-40.6	179.2	-67.9	-3.3	0	0	0	111	Y191 L239 W240 Q245 D246 E247	Y191-D243 WeakPolarHBondContact OH-CB 3.45Å; Y191-D243 PolarHBondContact OH-OD2 3.48Å; L239-D243 VanDerWaalsContact O-CG 3.31Å; L239-D243 PolarHBondContact O-N 3.04Å; W240-D243 PolarHBondContact O-N 2.96Å; D243-Q245 VanDerWaalsContact C-N 3.31Å; D243-Q245 PolarHBondContact O-N 3.17Å; D243-D246 PolarHBondContact O-N 2.92Å; D243-E247 PolarHBondContact O-N 3.31Å
244	M	83.2	Confident	71.9	Confident	71 Å²	71	99.2 Å²	99.2	35%	0.35	51%	0.508	S	S	.	.	H	α-helix	trans	-69	-22.6	176.6	-68.7	171.8	71.3	0	0	114.4	P197 D198 W240 S242	P197-M244 HydrophobicContact CB-CG 4.22Å; P197-M244 HydrophobicContact CB-SD 3.92Å; D198-M244 WeakPolarHBondContact OD1-CE 3.33Å; W240-M244 VanDerWaalsContact O-CG 3.25Å; W240-M244 WeakPolarHBondContact O-CG 3.46Å; W240-M244 PolarHBondContact O-N 3.05Å; W240-M244 VanDerWaalsContact O-N 3.16Å; S242-M244 PolarHBondContact O-N 3.44Å
245	Q	80.4	Confident	69	Low	127 Å²	127	98.7 Å²	98.7	59%	0.593	53%	0.527	S	S	*	.	H	α-helix	trans	-83.7	-36.9	176.4	-72.1	174.2	23.2	0	0	111.3	T241 S242 D243 E247 S248	T241-Q245 WeakPolarHBondContact O-CG 3.37Å; T241-Q245 PolarHBondContact O-N 3.42Å; S242-Q245 PolarHBondContact O-N 3.29Å; D243-Q245 VanDerWaalsContact C-N 3.31Å; D243-Q245 PolarHBondContact O-N 3.17Å; Q245-E247 VanDerWaalsContact C-N 3.29Å; Q245-E247 PolarHBondContact O-N 2.89Å; Q245-S248 WeakPolarHBondContact O-CB 3.5Å; Q245-S248 PolarHBondContact O-N 3.5Å; Q245-S248 PolarHBondContact O-OG 2.96Å
246	D	72.5	Confident	66.1	Low	128 Å²	128	99.7 Å²	99.7	68%	0.684	55%	0.545	S	S	*	.	H	α-helix	trans	-72	-20.7	179.8	-70.3	-18.9	0	0	0	112.9	S242 D243 S248	S242-D246 PolarHBondContact O-N 3.41Å; D243-D246 PolarHBondContact O-N 2.92Å; D246-S248 PolarHBondContact O-N 3.13Å
247	E	57.6	Low	63.3	Low	169 Å²	169	103.4 Å²	103.4	79%	0.79	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	0.8	171.5	-74.5	-171.5	168.6	0	0	114.2	D243 Q245	D243-E247 PolarHBondContact O-N 3.31Å; Q245-E247 VanDerWaalsContact C-N 3.29Å; Q245-E247 PolarHBondContact O-N 2.89Å
248	S	38.5	Very low	60.4	Low	80 Å²	80	106.9 Å²	106.9	56%	0.559	60%	0.601	S	S	*	*	S	Bend	trans	-68.6	136.4	168.1	56	0	0	0	0	110.4	Q245 D246 E250	Q245-S248 WeakPolarHBondContact O-CB 3.5Å; Q245-S248 PolarHBondContact O-N 3.5Å; Q245-S248 PolarHBondContact O-OG 2.96Å; D246-S248 PolarHBondContact O-N 3.13Å; S248-E250 VanDerWaalsContact C-N 3.3Å; S248-E250 PolarHBondContact O-N 3.21Å
249	P	46.1	Very low	57.7	Low	134 Å²	134	111.1 Å²	111.1	87%	0.87	61%	0.612	S	S	*	*	S	Bend	trans	-82	64.4	-151.1	34.5	-38.1	0	0	0	113.4
250	E	40.6	Very low	55.7	Low	176 Å²	176	111.5 Å²	111.5	82%	0.822	62%	0.617	S	S	*	*	S	Bend	trans	-142.1	118.5	162.4	-88.4	-178.7	176.9	0	0	108.6	S248	S248-E250 VanDerWaalsContact C-N 3.3Å; S248-E250 PolarHBondContact O-N 3.21Å
251	E	39.1	Very low	53.7	Low	153 Å²	153	112 Å²	112	72%	0.715	62%	0.622	S	S	*	*			trans	93.7	75.1	176.8	-50.2	-157.8	179.8	0	0	117.7	K253	E251-K253 PolarHBondContact O-N 3.34Å; E251-K253 IonicContact OE1-NZ 3.33Å; E251-K253 IonicContact OE2-NZ 3.09Å; E251-K253 PolarHBondContact OE2-NZ 3.34Å
252	I	37.6	Very low	51.8	Low	180 Å²	180	114.2 Å²	114.2	92%	0.923	63%	0.628	S	S	*	*			trans	-65.2	88.7	150.5	-55.9	170	0	0	0	107.6
253	K	39.3	Very low	50.2	Low	152 Å²	152	113.6 Å²	113.6	66%	0.661	62%	0.62	S	S	*	*			trans	-119.6	112.4	161.4	-81.7	-179.9	-170.9	138.5	0	108.1	E251 A255	E251-K253 PolarHBondContact O-N 3.34Å; E251-K253 IonicContact OE1-NZ 3.33Å; E251-K253 IonicContact OE2-NZ 3.09Å; E251-K253 PolarHBondContact OE2-NZ 3.34Å; K253-A255 PolarHBondContact O-N 2.93Å
254	E	40	Very low	48.5	Very low	194 Å²	194	116.6 Å²	116.6	91%	0.907	63%	0.633	S	S	*	*			trans	20.5	82.6	164.2	-70.9	-179.3	147.7	0	0	114.2	A256	E254-A256 PolarHBondContact O-N 2.83Å
255	A	36.8	Very low	46.5	Very low	101 Å²	101	116 Å²	116	84%	0.835	63%	0.628	S	S	*	*			trans	-55.8	103.7	173.1	0	0	0	0	0	109.1	K253 A257	K253-A255 PolarHBondContact O-N 2.93Å; A255-A257 PolarHBondContact O-N 3.15Å
256	A	35	Very low	45.1	Very low	88 Å²	88	111.8 Å²	111.8	73%	0.727	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-57.4	131.2	163.2	0	0	0	0	0	107.1	E254 P258	E254-A256 PolarHBondContact O-N 2.83Å; A256-P258 VanDerWaalsContact O-N 3.15Å
257	A	36.1	Very low	43.8	Very low	86 Å²	86	107.7 Å²	107.7	71%	0.711	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-48.2	125.1	179.6	0	0	0	0	0	109.6	A255 K259	A255-A257 PolarHBondContact O-N 3.15Å; A257-K259 PolarHBondContact O-N 3.17Å
258	P	36.1	Very low	43.1	Very low	99 Å²	99	104.6 Å²	104.6	64%	0.643	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-54.7	128.9	-176.9	17.2	-28.1	0	0	0	108.9	A256 P260	A256-P258 VanDerWaalsContact O-N 3.15Å; P258-P260 WeakPolarHBondContact O-CD 3.47Å
259	K	38.5	Very low	43.4	Very low	180 Å²	180	105.9 Å²	105.9	78%	0.783	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-60.6	124.7	174.2	-79.4	-177.2	178.3	177.7	0	107	A257	A257-K259 PolarHBondContact O-N 3.17Å
260	P	50.6	Low	43.2	Very low	67 Å²	67	104.3 Å²	104.3	44%	0.435	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-57.2	142.4	179.9	-20.9	30	0	0	0	110.6	P258	P258-P260 WeakPolarHBondContact O-CD 3.47Å
261	A	54	Low	43.4	Very low	13 Å²	13	100.1 Å²	100.1	11%	0.107	55%	0.545	C	S	.	.	P	Polyproline II helix	trans	-64.4	135.9	174	0	0	0	0	0	109.8	V188 E192 W240	V188-A261 HydrophobicContact CG1-CB 4.4Å; V188-A261 HydrophobicContact CG2-CB 3.89Å; E192-A261 PolarHBondContact OE1-N 3.22Å; W240-A261 HydrophobicContact CZ2-CB 3.91Å
262	E	51.8	Low	43.7	Very low	107 Å²	107	96.8 Å²	96.8	50%	0.5	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-86.4	117.3	-173.4	-76.7	-167.6	155.3	0	0	112.3	Q264	E262-Q264 HydrophobicContact CB-CG 4.26Å; E262-Q264 PolarHBondContact OE1-NE2 3.16Å; E262-Q264 PolarHBondContact OE2-NE2 3.03Å
263	E	55.4	Low	44.1	Very low	35 Å²	35	91.3 Å²	91.3	16%	0.164	51%	0.508	C	S	.	.			trans	-100.3	77.1	168.2	-66.4	173.3	158.4	0	0	109.4	R139 N185 V188	R139-E263 IonicContact CZ-OE1 3.09Å; R139-E263 IonicContact CZ-OE2 3.83Å; R139-E263 IonicContact NE-OE1 2.67Å; R139-E263 VanDerWaalsContact NH1-CD 3.3Å; R139-E263 IonicContact NH1-OE1 2.79Å; R139-E263 PolarHBondContact NH1-OE1 3.32Å; R139-E263 IonicContact NH1-OE2 3.4Å; R139-E263 PolarHBondContact NH1-OE2 3.24Å; R139-E263 IonicContact NH2-OE1 3.34Å; R139-E263 PolarHBondContact NH2-OE1 2.75Å; R139-E263 IonicContact NH2-OE2 2.92Å; R139-E263 PolarHBondContact NH2-OE2 3.16Å; N185-E263 WeakPolarHBondContact CA-OE1 3.47Å; N185-E263 WeakPolarHBondContact CB-OE1 3.46Å; N185-E263 VanDerWaalsContact CG-OE1 3.24Å; N185-E263 WeakPolarHBondContact OD1-CG 3.45Å; N185-E263 PolarHBondContact OD1-OE1 3.2Å; V188-E263 HydrophobicContact CG2-CG 4.32Å
264	Q	48.4	Very low	44.4	Very low	109 Å²	109	86.9 Å²	86.9	51%	0.509	50%	0.498	S	S	.	.			trans	-85.2	-11.3	-172	-78.4	-168.2	15.2	0	0	115.6	K59 E262	K59-Q264 PolarHBondContact NZ-O 2.76Å; E262-Q264 HydrophobicContact CB-CG 4.26Å; E262-Q264 PolarHBondContact OE1-NE2 3.16Å; E262-Q264 PolarHBondContact OE2-NE2 3.03Å
265	K	42.7	Very low	44.7	Very low	58 Å²	58	78.7 Å²	78.7	25%	0.252	47%	0.466	S	S	.	.			trans	-144.6	123	176.6	-73.5	-161.1	-177.9	174.4	0	114.1	D225 L228	D225-K265 IonicContact OD1-NZ 3.43Å; D225-K265 PolarHBondContact OD1-NZ 3.41Å; L228-K265 HydrophobicContact CD2-CD 3.49Å; L228-K265 VanDerWaalsContact CD2-CD 3.49Å; L228-K265 HydrophobicContact CD2-CG 4.13Å; L228-K265 VanDerWaalsContact CD2-NZ 3.32Å
266	E	50.3	Low	45.4	Very low	38 Å²	38	76.8 Å²	76.8	18%	0.178	44%	0.435	C	S	.	.			trans	-95.1	143.7	151.8	-67.3	-162.6	123.6	0	0	108.3	S55 K132	S55-E266 PolarHBondContact OG-OE2 3.03Å; K132-E266 IonicContact NZ-OE1 3.01Å; K132-E266 PolarHBondContact NZ-OE1 3.3Å
267	I	46.1	Very low	46.4	Very low	42 Å²	42	75.8 Å²	75.8	22%	0.215	41%	0.409	C	S	.	.			trans	-125.1	0	172.8	-59.8	151.3	0	0	0	106.4	R51 N52 F129 P177 D225 I229	R51-I267 PolarHBondContact NH2-OXT 2.98Å; N52-I267 PolarHBondContact OD1-OXT 2.93Å; F129-I267 WeakPolarHBondContact CD2-O 3.17Å; F129-I267 VanDerWaalsContact CE2-C 3.47Å; F129-I267 VanDerWaalsContact CE2-O 3.23Å; F129-I267 WeakPolarHBondContact CE2-O 3.42Å; F129-I267 WeakPolarHBondContact CE2-OXT 3.41Å; P177-I267 HydrophobicContact CB-CB 4.3Å; P177-I267 HydrophobicContact CB-CD1 3.18Å; P177-I267 HydrophobicContact CB-CG1 4.36Å; P177-I267 HydrophobicContact CB-CG2 4.29Å; P177-I267 HydrophobicContact CG-CD1 4.21Å; D225-I267 HydrophobicContact CB-CD1 3.45Å; D225-I267 VanDerWaalsContact CB-CD1 3.45Å; D225-I267 HydrophobicContact CB-CG1 4.34Å; I229-I267 HydrophobicContact CD1-CD1 3.6Å

Retrieved 267 of 267 residues in 318.5 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).