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14-3-3-like protein GF14-G

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 Q5QNB8, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene GF14G, Length 257 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	54.8	Low	87.5	Confident	170 Å²	170	72.1 Å²	72.1	84%	0.837	38%	0.381	S	S	*	.				0	133.4	0	-77.9	172.1	73.3	0	0	106.7	D5 D6	M1-D5 VanDerWaalsContact CA-OD2 3.32Å; M1-D5 WeakPolarHBondContact CA-OD2 3.46Å; M1-D5 HydrophobicContact CB-CB 4.18Å; M1-D5 HydrophobicContact CE-CB 3.76Å; M1-D5 HydrophobicContact CG-CB 4.49Å; M1-D6 WeakPolarHBondContact CE-OD1 3.26Å
2	A	75	Confident	88.4	Confident	42 Å²	42	71.2 Å²	71.2	35%	0.347	37%	0.371	S	S	.	.			trans	-63.3	146.9	169.9	0	0	0	0	0	107.9	S4 D5	A2-S4 WeakPolarHBondContact CB-OG 3.41Å; A2-S4 PolarHBondContact O-N 3.17Å; A2-D5 PolarHBondContact N-OD2 2.83Å; A2-D5 WeakPolarHBondContact O-CB 3.44Å; A2-D5 PolarHBondContact O-N 3.37Å
3	P	73.2	Confident	89.2	Confident	101 Å²	101	70.8 Å²	70.8	66%	0.656	37%	0.37	S	S	*	.	H	α-helix	trans	-53.8	-27	176.3	-26.8	35	0	0	0	113.8
4	S	86.5	Confident	89.8	Confident	13 Å²	13	66.2 Å²	66.2	9%	0.091	35%	0.347	C	S	.	.	H	α-helix	trans	-65.8	-34.6	173.2	47.1	0	0	0	0	113.4	A2 D6 L7 V8	A2-S4 WeakPolarHBondContact CB-OG 3.41Å; A2-S4 PolarHBondContact O-N 3.17Å; S4-D6 PolarHBondContact O-N 2.93Å; S4-L7 PolarHBondContact O-N 3.05Å; S4-V8 VanDerWaalsContact O-CG2 3.31Å; S4-V8 WeakPolarHBondContact O-CG2 3.46Å; S4-V8 PolarHBondContact O-N 2.72Å
5	D	91.8	Very high	90.4	Very high	75 Å²	75	66.5 Å²	66.5	40%	0.401	35%	0.346	S	S	.	.	H	α-helix	trans	-60.8	-44.7	-175	-63.6	-25.3	0	0	0	111.8	M1 A2 V8 Y9	M1-D5 VanDerWaalsContact CA-OD2 3.32Å; M1-D5 WeakPolarHBondContact CA-OD2 3.46Å; M1-D5 HydrophobicContact CB-CB 4.18Å; M1-D5 HydrophobicContact CE-CB 3.76Å; M1-D5 HydrophobicContact CG-CB 4.49Å; A2-D5 PolarHBondContact N-OD2 2.83Å; A2-D5 WeakPolarHBondContact O-CB 3.44Å; A2-D5 PolarHBondContact O-N 3.37Å; D5-V8 PolarHBondContact O-N 3.17Å; D5-Y9 WeakPolarHBondContact O-CB 3.34Å; D5-Y9 PolarHBondContact O-N 3.34Å
6	D	94.9	Very high	90.8	Very high	89 Å²	89	72.4 Å²	72.4	48%	0.476	37%	0.371	S	S	.	.	H	α-helix	trans	-66.5	-40.4	178.7	-73.2	-27.3	0	0	0	110.9	M1 S4 Y9 M10	M1-D6 WeakPolarHBondContact CE-OD1 3.26Å; S4-D6 PolarHBondContact O-N 2.93Å; D6-Y9 PolarHBondContact O-N 3.29Å; D6-M10 VanDerWaalsContact O-CG 3.28Å; D6-M10 WeakPolarHBondContact O-CG 3.5Å; D6-M10 PolarHBondContact O-N 3.44Å
7	L	96.7	Very high	91.2	Very high	48 Å²	48	71.8 Å²	71.8	25%	0.251	38%	0.38	S	S	.	.	H	α-helix	trans	-66.1	-43.2	177.8	-68.9	170	0	0	0	111.9	S4 Y9 M10 A11 V30	S4-L7 PolarHBondContact O-N 3.05Å; L7-Y9 VanDerWaalsContact C-N 3.34Å; L7-M10 PolarHBondContact O-N 3.45Å; L7-A11 PolarHBondContact O-N 2.85Å; L7-V30 HydrophobicContact CB-CG2 3.45Å; L7-V30 VanDerWaalsContact CB-CG2 3.45Å; L7-V30 HydrophobicContact CD1-CG2 3.97Å; L7-V30 HydrophobicContact CG-CG2 4.37Å
8	V	97.3	Very high	91.6	Very high	14 Å²	14	75.9 Å²	75.9	9%	0.085	40%	0.396	C	S	.	.	H	α-helix	trans	-65.2	-39.9	176.6	172.6	0	0	0	0	110.7	S4 D5 A11 K12 V30 E41 L44	S4-V8 VanDerWaalsContact O-CG2 3.31Å; S4-V8 WeakPolarHBondContact O-CG2 3.46Å; S4-V8 PolarHBondContact O-N 2.72Å; D5-V8 PolarHBondContact O-N 3.17Å; V8-A11 PolarHBondContact O-N 3.49Å; V8-K12 HydrophobicContact CG1-CD 4.35Å; V8-K12 WeakPolarHBondContact O-CG 3.35Å; V8-K12 PolarHBondContact O-N 3.07Å; V8-V30 HydrophobicContact CG2-CG1 4.4Å; V8-V30 HydrophobicContact CG2-CG2 3.98Å; V8-E41 HydrophobicContact CG2-CG 3.78Å; V8-L44 HydrophobicContact CG1-CD1 3.97Å
9	Y	97.3	Very high	91.9	Very high	139 Å²	139	78.2 Å²	78.2	55%	0.545	40%	0.399	S	S	.	.	H	α-helix	trans	-61.4	-44.9	173.4	177.9	-107.5	0	0	0	111.9	D5 D6 L7 A11 K12 L13	D5-Y9 WeakPolarHBondContact O-CB 3.34Å; D5-Y9 PolarHBondContact O-N 3.34Å; D6-Y9 PolarHBondContact O-N 3.29Å; L7-Y9 VanDerWaalsContact C-N 3.34Å; Y9-A11 VanDerWaalsContact C-N 3.34Å; Y9-A11 PolarHBondContact O-N 2.73Å; Y9-K12 PolarHBondContact O-N 3.49Å; Y9-L13 HydrophobicContact CD1-CD1 3.94Å; Y9-L13 HydrophobicContact CD1-CG 4.45Å; Y9-L13 HydrophobicContact CE1-CD1 3.34Å; Y9-L13 HydrophobicContact CE1-CG 4.01Å; Y9-L13 HydrophobicContact CE2-CG 4.32Å; Y9-L13 PolarHBondContact O-N 3.21Å
10	M	97.4	Very high	92.2	Very high	102 Å²	102	76.8 Å²	76.8	50%	0.502	39%	0.389	S	S	.	.	H	α-helix	trans	-61.9	-40.1	175.3	-72.1	-56.5	-59.3	0	0	112.3	D6 L7 K12 L13 A14 A26	D6-M10 VanDerWaalsContact O-CG 3.28Å; D6-M10 WeakPolarHBondContact O-CG 3.5Å; D6-M10 PolarHBondContact O-N 3.44Å; L7-M10 PolarHBondContact O-N 3.45Å; M10-K12 VanDerWaalsContact C-N 3.34Å; M10-K12 PolarHBondContact O-N 2.92Å; M10-L13 PolarHBondContact O-N 2.94Å; M10-L13 HydrophobicContact SD-CD1 4.13Å; M10-A14 WeakPolarHBondContact O-CB 3.27Å; M10-A14 PolarHBondContact O-N 2.97Å; M10-A26 HydrophobicContact CB-CB 4.49Å
11	A	98.1	Very high	92.5	Very high	0 Å²	0	77.5 Å²	77.5	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-61.6	-41.5	175.2	0	0	0	0	0	112.1	L7 V8 Y9 A14 E15 M23 A26 M27	L7-A11 PolarHBondContact O-N 2.85Å; V8-A11 PolarHBondContact O-N 3.49Å; Y9-A11 VanDerWaalsContact C-N 3.34Å; Y9-A11 PolarHBondContact O-N 2.73Å; A11-A14 PolarHBondContact O-N 3.07Å; A11-E15 WeakPolarHBondContact O-CB 3.48Å; A11-E15 PolarHBondContact O-N 3.39Å; A11-M23 HydrophobicContact CB-CG 4.22Å; A11-A26 HydrophobicContact CB-CB 4.09Å; A11-M27 HydrophobicContact CB-CG 3.69Å; A11-M27 HydrophobicContact CB-SD 3.53Å; A11-M27 VanDerWaalsContact CB-SD 3.53Å
12	K	98.2	Very high	94.6	Very high	61 Å²	61	72.3 Å²	72.3	27%	0.265	37%	0.368	S	S	.	.	H	α-helix	trans	-65.8	-39.3	175.6	-71.4	172.7	177.3	-178	0	112.5	V8 Y9 M10 Q16 E40 L44	V8-K12 HydrophobicContact CG1-CD 4.35Å; V8-K12 WeakPolarHBondContact O-CG 3.35Å; V8-K12 PolarHBondContact O-N 3.07Å; Y9-K12 PolarHBondContact O-N 3.49Å; M10-K12 VanDerWaalsContact C-N 3.34Å; M10-K12 PolarHBondContact O-N 2.92Å; K12-Q16 WeakPolarHBondContact O-CG 3.41Å; K12-Q16 PolarHBondContact O-N 3.01Å; K12-E40 WeakPolarHBondContact CE-OE1 3.37Å; K12-E40 IonicContact NZ-OE1 3.98Å; K12-E40 PolarHBondContact NZ-OE1 3.1Å; K12-E40 IonicContact NZ-OE2 3.12Å; K12-E40 PolarHBondContact NZ-OE2 3.02Å; K12-L44 HydrophobicContact CG-CD1 4.01Å; K12-L44 HydrophobicContact CG-CD2 4.13Å
13	L	98.2	Very high	95.7	Very high	67 Å²	67	70.3 Å²	70.3	35%	0.351	35%	0.351	S	S	.	.	H	α-helix	trans	-64.1	-44.5	173.4	-75.5	179	0	0	0	111.4	Y9 M10 E15 Q16 A17	Y9-L13 HydrophobicContact CD1-CD1 3.94Å; Y9-L13 HydrophobicContact CD1-CG 4.45Å; Y9-L13 HydrophobicContact CE1-CD1 3.34Å; Y9-L13 HydrophobicContact CE1-CG 4.01Å; Y9-L13 HydrophobicContact CE2-CG 4.32Å; Y9-L13 PolarHBondContact O-N 3.21Å; M10-L13 PolarHBondContact O-N 2.94Å; M10-L13 HydrophobicContact SD-CD1 4.13Å; L13-E15 VanDerWaalsContact C-N 3.34Å; L13-E15 PolarHBondContact O-N 3.31Å; L13-Q16 PolarHBondContact O-N 2.93Å; L13-A17 WeakPolarHBondContact O-CB 3.34Å; L13-A17 PolarHBondContact O-N 3.1Å
14	A	98.3	Very high	96.9	Very high	6 Å²	6	66 Å²	66	5%	0.05	32%	0.323	C	S	.	.	H	α-helix	trans	-63.5	-39	178.1	0	0	0	0	0	112	M10 A11 A17 E18 R19 E22 M23	M10-A14 WeakPolarHBondContact O-CB 3.27Å; M10-A14 PolarHBondContact O-N 2.97Å; A11-A14 PolarHBondContact O-N 3.07Å; A14-A17 CarbonylContact O-C 3.6Å; A14-A17 PolarHBondContact O-N 3.43Å; A14-E18 PolarHBondContact O-N 2.97Å; A14-R19 HydrophobicContact CB-CB 4.48Å; A14-R19 PolarHBondContact O-N 2.99Å; A14-E22 HydrophobicContact CB-CB 4.05Å; A14-M23 HydrophobicContact CB-CB 3.92Å
15	E	97.8	Very high	97.4	Very high	70 Å²	70	71.9 Å²	71.9	33%	0.327	35%	0.349	S	S	.	.	H	α-helix	trans	-58.2	-50.1	173	-175	-177.1	-161.7	0	0	111.8	A11 L13 A17 E18 M23 L44	A11-E15 WeakPolarHBondContact O-CB 3.48Å; A11-E15 PolarHBondContact O-N 3.39Å; L13-E15 VanDerWaalsContact C-N 3.34Å; L13-E15 PolarHBondContact O-N 3.31Å; E15-A17 PolarHBondContact O-N 3.28Å; E15-E18 PolarHBondContact O-N 3.48Å; E15-M23 HydrophobicContact CB-CE 3.83Å; E15-M23 HydrophobicContact CB-SD 3.96Å; E15-M23 HydrophobicContact CG-CE 4.03Å; E15-M23 HydrophobicContact CG-SD 4.32Å; E15-L44 WeakPolarHBondContact OE2-CD2 3.46Å
16	Q	97.7	Very high	97.7	Very high	161 Å²	161	68.8 Å²	68.8	75%	0.752	33%	0.334	S	S	*	.	H	α-helix	trans	-64.7	-26.6	179.3	-69.9	178.6	34.6	0	0	113	K12 L13	K12-Q16 WeakPolarHBondContact O-CG 3.41Å; K12-Q16 PolarHBondContact O-N 3.01Å; L13-Q16 PolarHBondContact O-N 2.93Å
17	A	97.9	Very high	97.9	Very high	63 Å²	63	64.5 Å²	64.5	52%	0.521	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	3	175.8	0	0	0	0	0	113.5	L13 A14 E15 R19	L13-A17 WeakPolarHBondContact O-CB 3.34Å; L13-A17 PolarHBondContact O-N 3.1Å; A14-A17 CarbonylContact O-C 3.6Å; A14-A17 PolarHBondContact O-N 3.43Å; E15-A17 PolarHBondContact O-N 3.28Å; A17-R19 HydrophobicContact CB-CG 4.08Å; A17-R19 PolarHBondContact O-N 3.39Å
18	E	97.5	Very high	97.9	Very high	145 Å²	145	63.2 Å²	63.2	68%	0.678	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	27.6	-174.8	-55.8	-175	159.9	0	0	113.9	A14 E15 Y20	A14-E18 PolarHBondContact O-N 2.97Å; E15-E18 PolarHBondContact O-N 3.48Å; E18-Y20 HydrophobicContact CB-CE2 4.03Å; E18-Y20 WeakPolarHBondContact O-CD2 3.46Å; E18-Y20 PolarHBondContact O-N 3.42Å
19	R	98.2	Very high	97.9	Very high	120 Å²	120	64.8 Å²	64.8	45%	0.453	32%	0.316	S	S	.	.			trans	-94.7	67.9	177.2	-60.2	-168.8	71.1	-150	-12.7	110.6	A14 A17 D21 E22 M23	A14-R19 HydrophobicContact CB-CB 4.48Å; A14-R19 PolarHBondContact O-N 2.99Å; A17-R19 HydrophobicContact CB-CG 4.08Å; A17-R19 PolarHBondContact O-N 3.39Å; R19-D21 PolarHBondContact O-N 2.91Å; R19-E22 VanDerWaalsContact CB-OE1 3.23Å; R19-E22 WeakPolarHBondContact CB-OE1 3.43Å; R19-E22 WeakPolarHBondContact CD-OE1 3.45Å; R19-E22 IonicContact CZ-OE1 2.65Å; R19-E22 IonicContact CZ-OE2 3.46Å; R19-E22 IonicContact NE-OE1 2.79Å; R19-E22 PolarHBondContact NE-OE1 2.83Å; R19-E22 IonicContact NH1-OE1 3.02Å; R19-E22 PolarHBondContact NH1-OE1 3.49Å; R19-E22 IonicContact NH1-OE2 3.59Å; R19-E22 PolarHBondContact NH1-OE2 2.89Å; R19-E22 IonicContact NH2-OE1 2.72Å; R19-E22 PolarHBondContact NH2-OE1 3.27Å; R19-E22 IonicContact NH2-OE2 3.19Å; R19-E22 PolarHBondContact NH2-OE2 3.48Å; R19-E22 PolarHBondContact O-N 3.29Å; R19-M23 PolarHBondContact O-N 3.28Å; R19-M23 VanDerWaalsContact O-N 3.09Å
20	Y	98.3	Very high	97.9	Very high	50 Å²	50	58.5 Å²	58.5	20%	0.196	29%	0.292	C	S	.	.	H	α-helix	trans	-65.5	-20.8	-171.4	-57.6	-66.3	0	0	0	114.7	E18 M23 V24 N51	E18-Y20 HydrophobicContact CB-CE2 4.03Å; E18-Y20 WeakPolarHBondContact O-CD2 3.46Å; E18-Y20 PolarHBondContact O-N 3.42Å; Y20-M23 HydrophobicContact CD1-SD 4.01Å; Y20-V24 WeakPolarHBondContact O-CB 3.23Å; Y20-V24 WeakPolarHBondContact O-CG2 3.38Å; Y20-V24 PolarHBondContact O-N 3.1Å; Y20-N51 HydrophobicContact CD1-CB 3.63Å; Y20-N51 HydrophobicContact CD2-CB 3.41Å; Y20-N51 VanDerWaalsContact CD2-CB 3.41Å; Y20-N51 HydrophobicContact CE1-CB 3.81Å; Y20-N51 WeakPolarHBondContact CE1-ND2 3.48Å; Y20-N51 HydrophobicContact CE2-CB 3.56Å; Y20-N51 HydrophobicContact CG-CB 3.43Å; Y20-N51 VanDerWaalsContact CG-CB 3.43Å
21	D	97.7	Very high	97.8	Very high	92 Å²	92	53.9 Å²	53.9	49%	0.492	27%	0.27	S	S	.	.	H	α-helix	trans	-65.1	-48.6	172.5	54.6	-45.9	0	0	0	111.4	R19 M23 V24 E25 L52	R19-D21 PolarHBondContact O-N 2.91Å; D21-M23 VanDerWaalsContact C-N 3.34Å; D21-V24 PolarHBondContact O-N 3.23Å; D21-E25 PolarHBondContact O-N 2.95Å; D21-L52 HydrophobicContact CB-CD2 4.42Å
22	E	98.1	Very high	97.7	Very high	61 Å²	61	58.7 Å²	58.7	29%	0.285	29%	0.291	S	S	.	.	H	α-helix	trans	-67.1	-37	174.3	-69.8	176.7	-55.2	0	0	111.7	A14 R19 V24 E25 A26	A14-E22 HydrophobicContact CB-CB 4.05Å; R19-E22 VanDerWaalsContact CB-OE1 3.23Å; R19-E22 WeakPolarHBondContact CB-OE1 3.43Å; R19-E22 WeakPolarHBondContact CD-OE1 3.45Å; R19-E22 IonicContact CZ-OE1 2.65Å; R19-E22 IonicContact CZ-OE2 3.46Å; R19-E22 IonicContact NE-OE1 2.79Å; R19-E22 PolarHBondContact NE-OE1 2.83Å; R19-E22 IonicContact NH1-OE1 3.02Å; R19-E22 PolarHBondContact NH1-OE1 3.49Å; R19-E22 IonicContact NH1-OE2 3.59Å; R19-E22 PolarHBondContact NH1-OE2 2.89Å; R19-E22 IonicContact NH2-OE1 2.72Å; R19-E22 PolarHBondContact NH2-OE1 3.27Å; R19-E22 IonicContact NH2-OE2 3.19Å; R19-E22 PolarHBondContact NH2-OE2 3.48Å; R19-E22 PolarHBondContact O-N 3.29Å; E22-V24 VanDerWaalsContact C-N 3.32Å; E22-V24 PolarHBondContact O-N 3.44Å; E22-E25 PolarHBondContact O-N 3.47Å; E22-A26 WeakPolarHBondContact O-CB 3.41Å; E22-A26 PolarHBondContact O-N 3.17Å
23	M	97.9	Very high	97.5	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.1	-46.3	175.1	-170.9	-173	-171	0	0	111.1	A11 A14 E15 R19 Y20 D21 M27 L44 V47 G48	A11-M23 HydrophobicContact CB-CG 4.22Å; A14-M23 HydrophobicContact CB-CB 3.92Å; E15-M23 HydrophobicContact CB-CE 3.83Å; E15-M23 HydrophobicContact CB-SD 3.96Å; E15-M23 HydrophobicContact CG-CE 4.03Å; E15-M23 HydrophobicContact CG-SD 4.32Å; R19-M23 PolarHBondContact O-N 3.28Å; R19-M23 VanDerWaalsContact O-N 3.09Å; Y20-M23 HydrophobicContact CD1-SD 4.01Å; D21-M23 VanDerWaalsContact C-N 3.34Å; M23-M27 WeakPolarHBondContact O-CB 3.47Å; M23-M27 WeakPolarHBondContact O-CG 3.4Å; M23-M27 PolarHBondContact O-N 3.2Å; M23-L44 HydrophobicContact CE-CB 3.85Å; M23-L44 HydrophobicContact CE-CD2 3.53Å; M23-L44 HydrophobicContact CE-CG 4.31Å; M23-L44 WeakPolarHBondContact CE-O 3.36Å; M23-V47 HydrophobicContact CE-CB 4.07Å; M23-V47 HydrophobicContact CE-CG1 4.01Å; M23-V47 HydrophobicContact SD-CG1 4.23Å; M23-G48 VanDerWaalsContact SD-CA 3.52Å
24	V	98.4	Very high	96.8	Very high	11 Å²	11	59.4 Å²	59.4	7%	0.067	30%	0.297	C	S	.	.	H	α-helix	trans	-67.1	-40.2	177	164.1	0	0	0	0	111.6	Y20 D21 E22 M27 N28 G48 Y49 L52	Y20-V24 WeakPolarHBondContact O-CB 3.23Å; Y20-V24 WeakPolarHBondContact O-CG2 3.38Å; Y20-V24 PolarHBondContact O-N 3.1Å; D21-V24 PolarHBondContact O-N 3.23Å; E22-V24 VanDerWaalsContact C-N 3.32Å; E22-V24 PolarHBondContact O-N 3.44Å; V24-M27 PolarHBondContact O-N 2.86Å; V24-N28 WeakPolarHBondContact CG1-ND2 3.34Å; V24-N28 WeakPolarHBondContact O-CB 3.31Å; V24-N28 PolarHBondContact O-N 3.42Å; V24-N28 PolarHBondContact O-ND2 3.05Å; V24-G48 VanDerWaalsContact CG2-C 3.42Å; V24-Y49 HydrophobicContact CG1-CD1 4.12Å; V24-Y49 HydrophobicContact CG1-CD2 4.27Å; V24-Y49 HydrophobicContact CG1-CE1 3.56Å; V24-Y49 HydrophobicContact CG1-CE2 3.74Å; V24-Y49 HydrophobicContact CG1-CG 4.45Å; V24-Y49 HydrophobicContact CG2-CD1 4.05Å; V24-Y49 HydrophobicContact CG2-CD2 3.94Å; V24-Y49 HydrophobicContact CG2-CE1 4.34Å; V24-Y49 HydrophobicContact CG2-CE2 4.23Å; V24-Y49 HydrophobicContact CG2-CG 3.85Å; V24-L52 HydrophobicContact CB-CD1 4.07Å; V24-L52 HydrophobicContact CG1-CD1 4.45Å; V24-L52 HydrophobicContact CG2-CD1 3.7Å; V24-L52 HydrophobicContact CG2-CG 4.43Å
25	E	98.2	Very high	96.3	Very high	135 Å²	135	66.7 Å²	66.7	63%	0.631	33%	0.33	S	S	*	.	H	α-helix	trans	-60.5	-46.9	176.7	-176	175.5	-174	0	0	112.2	D21 E22 S29	D21-E25 PolarHBondContact O-N 2.95Å; E22-E25 PolarHBondContact O-N 3.47Å; E25-S29 PolarHBondContact O-N 3.33Å; E25-S29 VanDerWaalsContact O-N 3.12Å; E25-S29 PolarHBondContact O-OG 3.19Å
26	A	97.8	Very high	95.9	Very high	10 Å²	10	64.8 Å²	64.8	8%	0.083	33%	0.33	C	S	.	.	H	α-helix	trans	-62.3	-50	176.8	0	0	0	0	0	111	M10 A11 E22 N28 S29 V30	M10-A26 HydrophobicContact CB-CB 4.49Å; A11-A26 HydrophobicContact CB-CB 4.09Å; E22-A26 WeakPolarHBondContact O-CB 3.41Å; E22-A26 PolarHBondContact O-N 3.17Å; A26-N28 PolarHBondContact O-N 3.5Å; A26-S29 WeakPolarHBondContact O-CA 3.12Å; A26-S29 VanDerWaalsContact O-CB 3.29Å; A26-S29 WeakPolarHBondContact O-CB 3.23Å; A26-S29 PolarHBondContact O-N 2.93Å; A26-V30 PolarHBondContact O-N 3.02Å
27	M	98.1	Very high	95.7	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-69.9	-30.7	-178	-68.3	-52	-48.1	0	0	113.7	A11 M23 V24 S29 V30 A31 E41 L44 L45	A11-M27 HydrophobicContact CB-CG 3.69Å; A11-M27 HydrophobicContact CB-SD 3.53Å; A11-M27 VanDerWaalsContact CB-SD 3.53Å; M23-M27 WeakPolarHBondContact O-CB 3.47Å; M23-M27 WeakPolarHBondContact O-CG 3.4Å; M23-M27 PolarHBondContact O-N 3.2Å; V24-M27 PolarHBondContact O-N 2.86Å; M27-S29 VanDerWaalsContact C-N 3.27Å; M27-S29 PolarHBondContact O-N 2.91Å; M27-V30 HydrophobicContact CE-CB 4.11Å; M27-V30 HydrophobicContact CE-CG1 4.34Å; M27-V30 HydrophobicContact CE-CG2 4.29Å; M27-V30 PolarHBondContact O-N 2.65Å; M27-V30 HydrophobicContact SD-CG2 4.35Å; M27-A31 WeakPolarHBondContact O-CB 3.42Å; M27-A31 PolarHBondContact O-N 3.12Å; M27-E41 HydrophobicContact CE-CB 3.81Å; M27-E41 HydrophobicContact CE-CG 4.29Å; M27-E41 VanDerWaalsContact CE-O 3.26Å; M27-E41 WeakPolarHBondContact CE-O 3.45Å; M27-L44 HydrophobicContact CE-CB 4.32Å; M27-L44 HydrophobicContact CG-CB 4.1Å; M27-L44 HydrophobicContact SD-CB 3.91Å; M27-L44 HydrophobicContact SD-CD1 4.23Å; M27-L45 HydrophobicContact CB-CB 4.13Å; M27-L45 HydrophobicContact CB-CD1 3.53Å; M27-L45 HydrophobicContact CB-CG 4.46Å; M27-L45 HydrophobicContact CE-CB 4.49Å
28	N	97.9	Very high	95.6	Very high	21 Å²	21	58.6 Å²	58.6	11%	0.112	30%	0.296	C	S	.	.	H	α-helix	trans	-63.8	-35.2	169.3	-77.6	-17.7	0	0	0	111.6	V24 A26 K32 Y49 I103	V24-N28 WeakPolarHBondContact CG1-ND2 3.34Å; V24-N28 WeakPolarHBondContact O-CB 3.31Å; V24-N28 PolarHBondContact O-N 3.42Å; V24-N28 PolarHBondContact O-ND2 3.05Å; A26-N28 PolarHBondContact O-N 3.5Å; N28-K32 WeakPolarHBondContact O-CD 3.47Å; N28-K32 WeakPolarHBondContact O-CG 3.47Å; N28-K32 PolarHBondContact O-N 3.03Å; N28-Y49 VanDerWaalsContact CG-OH 3.22Å; N28-Y49 PolarHBondContact ND2-OH 3.11Å; N28-Y49 WeakPolarHBondContact OD1-CE2 3.35Å; N28-Y49 PolarHBondContact OD1-OH 3.12Å; N28-I103 HydrophobicContact CB-CD1 4.04Å; N28-I103 WeakPolarHBondContact OD1-CG1 3.48Å
29	S	97.3	Very high	95.3	Very high	46 Å²	46	56.1 Å²	56.1	32%	0.322	28%	0.283	S	S	.	.	H	α-helix	trans	-67.8	-40.2	174.8	-57.6	0	0	0	0	111.3	E25 A26 M27 K32	E25-S29 PolarHBondContact O-N 3.33Å; E25-S29 VanDerWaalsContact O-N 3.12Å; E25-S29 PolarHBondContact O-OG 3.19Å; A26-S29 WeakPolarHBondContact O-CA 3.12Å; A26-S29 VanDerWaalsContact O-CB 3.29Å; A26-S29 WeakPolarHBondContact O-CB 3.23Å; A26-S29 PolarHBondContact O-N 2.93Å; M27-S29 VanDerWaalsContact C-N 3.27Å; M27-S29 PolarHBondContact O-N 2.91Å; S29-K32 PolarHBondContact O-N 3.17Å
30	V	96.5	Very high	95.2	Very high	8 Å²	8	55.4 Å²	55.4	5%	0.048	28%	0.284	C	S	.	.	H	α-helix	trans	-62.8	-46.4	173.6	-177.2	0	0	0	0	111	L7 V8 A26 M27 K32 L33 L37	L7-V30 HydrophobicContact CB-CG2 3.45Å; L7-V30 VanDerWaalsContact CB-CG2 3.45Å; L7-V30 HydrophobicContact CD1-CG2 3.97Å; L7-V30 HydrophobicContact CG-CG2 4.37Å; V8-V30 HydrophobicContact CG2-CG1 4.4Å; V8-V30 HydrophobicContact CG2-CG2 3.98Å; A26-V30 PolarHBondContact O-N 3.02Å; M27-V30 HydrophobicContact CE-CB 4.11Å; M27-V30 HydrophobicContact CE-CG1 4.34Å; M27-V30 HydrophobicContact CE-CG2 4.29Å; M27-V30 PolarHBondContact O-N 2.65Å; M27-V30 HydrophobicContact SD-CG2 4.35Å; V30-K32 PolarHBondContact O-N 3.17Å; V30-L33 WeakPolarHBondContact O-CB 3.49Å; V30-L33 PolarHBondContact O-N 3.26Å; V30-L37 HydrophobicContact CB-CD2 4.41Å; V30-L37 HydrophobicContact CG1-CD2 3.65Å
31	A	96.1	Very high	95	Very high	4 Å²	4	54.2 Å²	54.2	3%	0.033	28%	0.281	C	S	.	.	H	α-helix	trans	-57.5	-35.5	179	0	0	0	0	0	112.7	M27 L33 I103 Y107 L108	M27-A31 WeakPolarHBondContact O-CB 3.42Å; M27-A31 PolarHBondContact O-N 3.12Å; A31-L33 PolarHBondContact O-N 3.2Å; A31-I103 HydrophobicContact CB-CG2 3.84Å; A31-Y107 WeakPolarHBondContact O-CB 3.42Å; A31-L108 HydrophobicContact CB-CD2 3.73Å; A31-L108 HydrophobicContact CB-CG 4.42Å
32	K	95.9	Very high	95	Very high	102 Å²	102	50 Å²	50	44%	0.443	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-0.7	179.3	-70.8	167.9	-174.1	172.2	0	114.6	N28 S29 V30 I103 Y107	N28-K32 WeakPolarHBondContact O-CD 3.47Å; N28-K32 WeakPolarHBondContact O-CG 3.47Å; N28-K32 PolarHBondContact O-N 3.03Å; S29-K32 PolarHBondContact O-N 3.17Å; V30-K32 PolarHBondContact O-N 3.17Å; K32-I103 HydrophobicContact CG-CD1 4.41Å; K32-Y107 HydrophobicContact CB-CE1 4.49Å; K32-Y107 HydrophobicContact CD-CE2 4.43Å; K32-Y107 HydrophobicContact CG-CD1 4.3Å; K32-Y107 HydrophobicContact CG-CD2 3.88Å; K32-Y107 HydrophobicContact CG-CE1 4.08Å; K32-Y107 HydrophobicContact CG-CE2 3.67Å; K32-Y107 HydrophobicContact CG-CG 4.19Å
33	L	93.4	Very high	94.9	Very high	69 Å²	69	50.4 Å²	50.4	36%	0.361	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-6.9	172.9	-61.6	175.8	0	0	0	112.5	V30 A31 E35	V30-L33 WeakPolarHBondContact O-CB 3.49Å; V30-L33 PolarHBondContact O-N 3.26Å; A31-L33 PolarHBondContact O-N 3.2Å; L33-E35 PolarHBondContact O-N 3.48Å
34	D	84.9	Confident	94.9	Very high	73 Å²	73	50.9 Å²	50.9	39%	0.39	27%	0.265	S	S	.	.	S	Bend	trans	61.8	20.3	173.3	-65.7	-25.4	0	0	0	115.5	Y107 H111	D34-Y107 VanDerWaalsContact OD1-CD1 3.24Å; D34-Y107 WeakPolarHBondContact OD1-CD1 3.05Å; D34-H111 PolarHBondContact O-CD2 3.38Å; D34-H111 IonicContact OD1-CE1 2.78Å; D34-H111 PolarHBondContact OD1-CE1 2.87Å; D34-H111 IonicContact OD1-ND1 2.61Å; D34-H111 PolarHBondContact OD1-ND1 3.2Å
35	E	86.7	Confident	94.9	Very high	159 Å²	159	50.4 Å²	50.4	74%	0.743	26%	0.262	S	S	*	.	S	Bend	trans	-94.1	-7.6	178.9	-64.8	-177.9	171.5	0	0	113.6	L33	L33-E35 PolarHBondContact O-N 3.48Å
36	G	89.2	Confident	94.8	Very high	30 Å²	30	45.5 Å²	45.5	31%	0.309	24%	0.242	S	C	.	.			trans	76.5	140	-170.4	0	0	0	0	0	112.2
37	L	94.8	Very high	94.9	Very high	19 Å²	19	47.1 Å²	47.1	10%	0.099	25%	0.251	C	S	.	.			trans	-84.3	140.4	-178.3	-56.6	-174.7	0	0	0	111.9	V30 E41 R42 L45 L108	V30-L37 HydrophobicContact CB-CD2 4.41Å; V30-L37 HydrophobicContact CG1-CD2 3.65Å; L37-E41 HydrophobicContact CB-CB 3.93Å; L37-E41 HydrophobicContact CD2-CB 4.15Å; L37-E41 HydrophobicContact CG-CB 4.42Å; L37-R42 HydrophobicContact CB-CB 4.21Å; L37-L45 HydrophobicContact CD1-CB 4.39Å; L37-L45 HydrophobicContact CD1-CD2 4.03Å; L37-L108 HydrophobicContact CD1-CD2 3.62Å; L37-L108 HydrophobicContact CG-CD2 3.71Å
38	T	94	Very high	94.9	Very high	75 Å²	75	47.1 Å²	47.1	46%	0.46	25%	0.251	S	S	.	.			trans	-65	165.9	164.3	63.4	0	0	0	0	111.6	E40 E41 R42	T38-E40 PolarHBondContact O-N 3.3Å; T38-E41 WeakPolarHBondContact CB-OE2 3.3Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.33Å; T38-E41 PolarHBondContact N-OE2 2.79Å; T38-E41 PolarHBondContact O-N 3.49Å; T38-E41 WeakPolarHBondContact OG1-CB 3.41Å; T38-E41 VanDerWaalsContact OG1-CD 3.23Å; T38-E41 VanDerWaalsContact OG1-CG 3.27Å; T38-E41 WeakPolarHBondContact OG1-CG 3.47Å; T38-E41 PolarHBondContact OG1-N 3.45Å; T38-E41 PolarHBondContact OG1-OE2 2.94Å; T38-R42 WeakPolarHBondContact O-CB 3.38Å; T38-R42 PolarHBondContact O-N 2.93Å
39	K	92.6	Very high	94.9	Very high	93 Å²	93	46.2 Å²	46.2	40%	0.404	25%	0.246	S	C	.	.	H	α-helix	trans	-54.9	-40.4	175.2	-179.3	172.5	179.4	-179.3	0	111.8	N43 E212	K39-N43 WeakPolarHBondContact O-CB 3.47Å; K39-N43 PolarHBondContact O-N 3.07Å; K39-N43 VanDerWaalsContact O-N 3.11Å; K39-N43 PolarHBondContact O-ND2 2.85Å; K39-N43 PolarHBondContact O-OD1 3.31Å; K39-E212 IonicContact NZ-OE1 3.63Å; K39-E212 PolarHBondContact NZ-OE1 3.08Å
40	E	94.5	Very high	95	Very high	105 Å²	105	50.7 Å²	50.7	49%	0.491	26%	0.259	S	S	.	.	H	α-helix	trans	-67.5	-50.4	178.5	-173.6	178.4	-160.1	0	0	111.7	K12 T38 R42 N43 L44	K12-E40 WeakPolarHBondContact CE-OE1 3.37Å; K12-E40 IonicContact NZ-OE1 3.98Å; K12-E40 PolarHBondContact NZ-OE1 3.1Å; K12-E40 IonicContact NZ-OE2 3.12Å; K12-E40 PolarHBondContact NZ-OE2 3.02Å; T38-E40 PolarHBondContact O-N 3.3Å; E40-R42 VanDerWaalsContact C-N 3.34Å; E40-R42 PolarHBondContact O-N 3.11Å; E40-N43 WeakPolarHBondContact O-CB 3.48Å; E40-N43 PolarHBondContact O-N 3.26Å; E40-N43 VanDerWaalsContact O-N 3.14Å; E40-L44 HydrophobicContact CG-CD1 4.46Å; E40-L44 WeakPolarHBondContact O-CG 3.47Å; E40-L44 PolarHBondContact O-N 3.04Å
41	E	95.9	Very high	95	Very high	26 Å²	26	53.1 Å²	53.1	12%	0.121	27%	0.272	C	S	.	.	H	α-helix	trans	-61.8	-42.6	179.5	-72	164.1	148.7	0	0	112.1	V8 M27 L37 T38 N43 L44 L45	V8-E41 HydrophobicContact CG2-CG 3.78Å; M27-E41 HydrophobicContact CE-CB 3.81Å; M27-E41 HydrophobicContact CE-CG 4.29Å; M27-E41 VanDerWaalsContact CE-O 3.26Å; M27-E41 WeakPolarHBondContact CE-O 3.45Å; L37-E41 HydrophobicContact CB-CB 3.93Å; L37-E41 HydrophobicContact CD2-CB 4.15Å; L37-E41 HydrophobicContact CG-CB 4.42Å; T38-E41 WeakPolarHBondContact CB-OE2 3.3Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.33Å; T38-E41 PolarHBondContact N-OE2 2.79Å; T38-E41 PolarHBondContact O-N 3.49Å; T38-E41 WeakPolarHBondContact OG1-CB 3.41Å; T38-E41 VanDerWaalsContact OG1-CD 3.23Å; T38-E41 VanDerWaalsContact OG1-CG 3.27Å; T38-E41 WeakPolarHBondContact OG1-CG 3.47Å; T38-E41 PolarHBondContact OG1-N 3.45Å; T38-E41 PolarHBondContact OG1-OE2 2.94Å; E41-N43 VanDerWaalsContact C-N 3.28Å; E41-N43 PolarHBondContact O-N 3.29Å; E41-L44 PolarHBondContact O-N 3.03Å; E41-L45 PolarHBondContact O-N 3.44Å
42	R	96.4	Very high	95.1	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-59.7	-40.6	175.1	-174.9	-176.5	72	-148.8	-4.1	111.6	L37 T38 E40 S46 E116 S117 F120 Y121	L37-R42 HydrophobicContact CB-CB 4.21Å; T38-R42 WeakPolarHBondContact O-CB 3.38Å; T38-R42 PolarHBondContact O-N 2.93Å; E40-R42 VanDerWaalsContact C-N 3.34Å; E40-R42 PolarHBondContact O-N 3.11Å; R42-S46 WeakPolarHBondContact O-CB 3.45Å; R42-S46 PolarHBondContact O-N 2.97Å; R42-S46 VanDerWaalsContact O-N 3.08Å; R42-E116 IonicContact CZ-OE1 2.77Å; R42-E116 VanDerWaalsContact CZ-OE1 3.24Å; R42-E116 IonicContact NH1-OE1 2.88Å; R42-E116 PolarHBondContact NH1-OE1 3.39Å; R42-E116 IonicContact NH2-OE1 3.18Å; R42-E116 PolarHBondContact NH2-OE1 3.41Å; R42-S117 PolarHBondContact NH1-OG 2.98Å; R42-S117 VanDerWaalsContact NH1-OG 3.11Å; R42-F120 VanDerWaalsContact CD-CD1 3.42Å; R42-F120 HydrophobicContact CG-CD1 3.53Å; R42-F120 HydrophobicContact CG-CE1 3.4Å; R42-F120 HydrophobicContact CG-CE2 4.37Å; R42-F120 HydrophobicContact CG-CG 4.1Å; R42-F120 HydrophobicContact CG-CZ 3.83Å; R42-Y121 HydrophobicContact CG-CE1 3.67Å
43	N	95.5	Very high	95.3	Very high	69 Å²	69	50 Å²	50	37%	0.369	26%	0.26	S	S	.	.	H	α-helix	trans	-66.6	-43	175.9	-73.2	-13.5	0	0	0	111.6	K39 E40 E41 S46 V47	K39-N43 WeakPolarHBondContact O-CB 3.47Å; K39-N43 PolarHBondContact O-N 3.07Å; K39-N43 VanDerWaalsContact O-N 3.11Å; K39-N43 PolarHBondContact O-ND2 2.85Å; K39-N43 PolarHBondContact O-OD1 3.31Å; E40-N43 WeakPolarHBondContact O-CB 3.48Å; E40-N43 PolarHBondContact O-N 3.26Å; E40-N43 VanDerWaalsContact O-N 3.14Å; E41-N43 VanDerWaalsContact C-N 3.28Å; E41-N43 PolarHBondContact O-N 3.29Å; N43-S46 WeakPolarHBondContact O-CB 3.35Å; N43-S46 PolarHBondContact O-N 3.18Å; N43-V47 WeakPolarHBondContact O-CG2 3.29Å; N43-V47 PolarHBondContact O-N 2.88Å
44	L	98	Very high	95.5	Very high	10 Å²	10	48.2 Å²	48.2	5%	0.052	26%	0.258	C	S	.	.	H	α-helix	trans	-58.7	-49.1	175.5	-70.8	169.7	0	0	0	111.5	V8 K12 E15 M23 M27 E40 E41 S46 V47 G48	V8-L44 HydrophobicContact CG1-CD1 3.97Å; K12-L44 HydrophobicContact CG-CD1 4.01Å; K12-L44 HydrophobicContact CG-CD2 4.13Å; E15-L44 WeakPolarHBondContact OE2-CD2 3.46Å; M23-L44 HydrophobicContact CE-CB 3.85Å; M23-L44 HydrophobicContact CE-CD2 3.53Å; M23-L44 HydrophobicContact CE-CG 4.31Å; M23-L44 WeakPolarHBondContact CE-O 3.36Å; M27-L44 HydrophobicContact CE-CB 4.32Å; M27-L44 HydrophobicContact CG-CB 4.1Å; M27-L44 HydrophobicContact SD-CB 3.91Å; M27-L44 HydrophobicContact SD-CD1 4.23Å; E40-L44 HydrophobicContact CG-CD1 4.46Å; E40-L44 WeakPolarHBondContact O-CG 3.47Å; E40-L44 PolarHBondContact O-N 3.04Å; E41-L44 PolarHBondContact O-N 3.03Å; L44-S46 VanDerWaalsContact C-N 3.28Å; L44-S46 PolarHBondContact O-N 3.15Å; L44-V47 PolarHBondContact O-N 3.03Å; L44-G48 PolarHBondContact O-N 3.41Å
45	L	98.3	Very high	96.1	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-55.1	-46.2	176	-176.5	78.5	0	0	0	111.3	M27 L37 E41 G48 Y49 L108	M27-L45 HydrophobicContact CB-CB 4.13Å; M27-L45 HydrophobicContact CB-CD1 3.53Å; M27-L45 HydrophobicContact CB-CG 4.46Å; M27-L45 HydrophobicContact CE-CB 4.49Å; L37-L45 HydrophobicContact CD1-CB 4.39Å; L37-L45 HydrophobicContact CD1-CD2 4.03Å; E41-L45 PolarHBondContact O-N 3.44Å; L45-G48 PolarHBondContact O-N 3.41Å; L45-Y49 HydrophobicContact CD1-CD2 4.03Å; L45-Y49 HydrophobicContact CD1-CE2 3.73Å; L45-Y49 HydrophobicContact CG-CD2 4.12Å; L45-Y49 HydrophobicContact CG-CE2 4.24Å; L45-Y49 WeakPolarHBondContact O-CD2 3.38Å; L45-Y49 PolarHBondContact O-N 3.41Å; L45-L108 HydrophobicContact CD2-CD1 3.45Å; L45-L108 VanDerWaalsContact CD2-CD1 3.45Å
46	S	98	Very high	96.6	Very high	31 Å²	31	43.2 Å²	43.2	22%	0.217	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-45.1	179.7	-176.6	0	0	0	0	112.5	R42 N43 L44 G48 K50	R42-S46 WeakPolarHBondContact O-CB 3.45Å; R42-S46 PolarHBondContact O-N 2.97Å; R42-S46 VanDerWaalsContact O-N 3.08Å; N43-S46 WeakPolarHBondContact O-CB 3.35Å; N43-S46 PolarHBondContact O-N 3.18Å; L44-S46 VanDerWaalsContact C-N 3.28Å; L44-S46 PolarHBondContact O-N 3.15Å; S46-G48 PolarHBondContact O-N 3.35Å; S46-K50 WeakPolarHBondContact O-CB 3.4Å; S46-K50 PolarHBondContact O-N 3.44Å
47	V	98.2	Very high	97	Very high	44 Å²	44	44 Å²	44	27%	0.267	24%	0.235	S	C	.	.	H	α-helix	trans	-60.3	-45	177.1	167.8	0	0	0	0	111.2	M23 N43 L44 K50 N51	M23-V47 HydrophobicContact CE-CB 4.07Å; M23-V47 HydrophobicContact CE-CG1 4.01Å; M23-V47 HydrophobicContact SD-CG1 4.23Å; N43-V47 WeakPolarHBondContact O-CG2 3.29Å; N43-V47 PolarHBondContact O-N 2.88Å; L44-V47 PolarHBondContact O-N 3.03Å; V47-K50 PolarHBondContact O-N 3.36Å; V47-N51 PolarHBondContact O-N 3.14Å; V47-N51 VanDerWaalsContact O-N 3.07Å; V47-N51 PolarHBondContact O-ND2 3.46Å
48	G	98.6	Very high	97.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.7	-57.6	178.4	0	0	0	0	0	111.9	M23 V24 L44 L45 S46 K50 N51 L52	M23-G48 VanDerWaalsContact SD-CA 3.52Å; V24-G48 VanDerWaalsContact CG2-C 3.42Å; L44-G48 PolarHBondContact O-N 3.41Å; L45-G48 PolarHBondContact O-N 3.41Å; S46-G48 PolarHBondContact O-N 3.35Å; G48-K50 PolarHBondContact O-N 3.19Å; G48-N51 PolarHBondContact O-N 3.46Å; G48-L52 PolarHBondContact O-N 3.15Å; G48-L52 VanDerWaalsContact O-N 3.16Å
49	Y	98.7	Very high	97.3	Very high	3 Å²	3	42.8 Å²	42.8	1%	0.012	24%	0.236	C	C	.	.	H	α-helix	trans	-64.6	-38.6	-179.5	-81.7	-73	0	0	0	112.9	V24 N28 L45 N51 L52 I53 I96 D99 V100 M124 Y128	V24-Y49 HydrophobicContact CG1-CD1 4.12Å; V24-Y49 HydrophobicContact CG1-CD2 4.27Å; V24-Y49 HydrophobicContact CG1-CE1 3.56Å; V24-Y49 HydrophobicContact CG1-CE2 3.74Å; V24-Y49 HydrophobicContact CG1-CG 4.45Å; V24-Y49 HydrophobicContact CG2-CD1 4.05Å; V24-Y49 HydrophobicContact CG2-CD2 3.94Å; V24-Y49 HydrophobicContact CG2-CE1 4.34Å; V24-Y49 HydrophobicContact CG2-CE2 4.23Å; V24-Y49 HydrophobicContact CG2-CG 3.85Å; N28-Y49 VanDerWaalsContact CG-OH 3.22Å; N28-Y49 PolarHBondContact ND2-OH 3.11Å; N28-Y49 WeakPolarHBondContact OD1-CE2 3.35Å; N28-Y49 PolarHBondContact OD1-OH 3.12Å; L45-Y49 HydrophobicContact CD1-CD2 4.03Å; L45-Y49 HydrophobicContact CD1-CE2 3.73Å; L45-Y49 HydrophobicContact CG-CD2 4.12Å; L45-Y49 HydrophobicContact CG-CE2 4.24Å; L45-Y49 WeakPolarHBondContact O-CD2 3.38Å; L45-Y49 PolarHBondContact O-N 3.41Å; Y49-N51 VanDerWaalsContact C-N 3.31Å; Y49-N51 PolarHBondContact O-N 2.92Å; Y49-L52 PolarHBondContact O-N 3.2Å; Y49-I53 WeakPolarHBondContact O-CG2 3.49Å; Y49-I53 PolarHBondContact O-N 3.21Å; Y49-I96 HydrophobicContact CD1-CG2 4.07Å; Y49-D99 HydrophobicContact CE1-CB 4.48Å; Y49-V100 HydrophobicContact CD1-CB 3.76Å; Y49-V100 HydrophobicContact CD1-CG1 4.47Å; Y49-V100 HydrophobicContact CD1-CG2 4.13Å; Y49-V100 HydrophobicContact CD2-CB 4.09Å; Y49-V100 HydrophobicContact CD2-CG2 3.59Å; Y49-V100 HydrophobicContact CE1-CB 3.58Å; Y49-V100 HydrophobicContact CE1-CG2 4.19Å; Y49-V100 HydrophobicContact CE2-CB 3.91Å; Y49-V100 HydrophobicContact CE2-CG2 3.63Å; Y49-V100 HydrophobicContact CG-CB 4.01Å; Y49-V100 HydrophobicContact CG-CG2 3.84Å; Y49-M124 HydrophobicContact CD2-CE 4.23Å; Y49-M124 HydrophobicContact CG-CE 4.44Å; Y49-Y128 WeakPolarHBondContact CB-OH 3.36Å; Y49-Y128 PolarHBondContact O-OH 2.86Å
50	K	98.1	Very high	97.6	Very high	139 Å²	139	39.9 Å²	39.9	60%	0.604	22%	0.224	S	C	*	.	H	α-helix	trans	-58.7	-42.1	178.1	-179.8	-177.3	177.2	-176.3	0	111.7	S46 V47 G48 G54 Y128	S46-K50 WeakPolarHBondContact O-CB 3.4Å; S46-K50 PolarHBondContact O-N 3.44Å; V47-K50 PolarHBondContact O-N 3.36Å; G48-K50 PolarHBondContact O-N 3.19Å; K50-G54 WeakPolarHBondContact O-CA 3.34Å; K50-G54 PolarHBondContact O-N 3.46Å; K50-Y128 PolarHBondContact N-OH 3.18Å
51	N	98.3	Very high	97.7	Very high	59 Å²	59	41.9 Å²	41.9	32%	0.316	23%	0.227	S	C	.	.	H	α-helix	trans	-70.5	-42.5	178.3	-80.2	-72.1	0	0	0	112.1	Y20 V47 G48 Y49 G54 A55	Y20-N51 HydrophobicContact CD1-CB 3.63Å; Y20-N51 HydrophobicContact CD2-CB 3.41Å; Y20-N51 VanDerWaalsContact CD2-CB 3.41Å; Y20-N51 HydrophobicContact CE1-CB 3.81Å; Y20-N51 WeakPolarHBondContact CE1-ND2 3.48Å; Y20-N51 HydrophobicContact CE2-CB 3.56Å; Y20-N51 HydrophobicContact CG-CB 3.43Å; Y20-N51 VanDerWaalsContact CG-CB 3.43Å; V47-N51 PolarHBondContact O-N 3.14Å; V47-N51 VanDerWaalsContact O-N 3.07Å; V47-N51 PolarHBondContact O-ND2 3.46Å; G48-N51 PolarHBondContact O-N 3.46Å; Y49-N51 VanDerWaalsContact C-N 3.31Å; Y49-N51 PolarHBondContact O-N 2.92Å; N51-G54 PolarHBondContact O-N 3.08Å; N51-A55 WeakPolarHBondContact O-CB 3.43Å; N51-A55 PolarHBondContact O-N 3.35Å
52	L	98	Very high	97.8	Very high	40 Å²	40	45.7 Å²	45.7	21%	0.209	25%	0.247	C	C	.	.	H	α-helix	trans	-58	-53.9	175.7	-69.7	-174.7	0	0	0	111.9	D21 V24 G48 Y49 A55 K56 I96	D21-L52 HydrophobicContact CB-CD2 4.42Å; V24-L52 HydrophobicContact CB-CD1 4.07Å; V24-L52 HydrophobicContact CG1-CD1 4.45Å; V24-L52 HydrophobicContact CG2-CD1 3.7Å; V24-L52 HydrophobicContact CG2-CG 4.43Å; G48-L52 PolarHBondContact O-N 3.15Å; G48-L52 VanDerWaalsContact O-N 3.16Å; Y49-L52 PolarHBondContact O-N 3.2Å; L52-A55 PolarHBondContact O-N 2.98Å; L52-K56 WeakPolarHBondContact O-CG 3.38Å; L52-K56 PolarHBondContact O-N 2.79Å; L52-I96 HydrophobicContact CB-CD1 4.21Å; L52-I96 HydrophobicContact CB-CG2 4.46Å
53	I	98.4	Very high	97.8	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-69.7	-35.2	-178.4	-163.1	59.8	0	0	0	111.8	Y49 A55 K56 R57 M93 I96 Y128 Y131	Y49-I53 WeakPolarHBondContact O-CG2 3.49Å; Y49-I53 PolarHBondContact O-N 3.21Å; I53-A55 PolarHBondContact O-N 3.46Å; I53-K56 PolarHBondContact O-N 2.82Å; I53-R57 HydrophobicContact CG1-CG 4.32Å; I53-R57 WeakPolarHBondContact O-CB 3.44Å; I53-R57 WeakPolarHBondContact O-CG 3.45Å; I53-R57 PolarHBondContact O-N 3.09Å; I53-M93 HydrophobicContact CD1-CB 4.08Å; I53-M93 HydrophobicContact CD1-CE 4.1Å; I53-M93 HydrophobicContact CD1-CG 3.97Å; I53-I96 HydrophobicContact CB-CG2 4.14Å; I53-I96 HydrophobicContact CD1-CB 4.37Å; I53-I96 HydrophobicContact CD1-CG2 4.18Å; I53-Y128 HydrophobicContact CB-CE1 3.92Å; I53-Y128 HydrophobicContact CG1-CE1 4.14Å; I53-Y128 HydrophobicContact CG2-CE1 3.79Å; I53-Y131 HydrophobicContact CG1-CD2 3.69Å; I53-Y131 HydrophobicContact CG1-CE2 4.25Å; I53-Y131 HydrophobicContact CG1-CG 4.24Å; I53-Y131 HydrophobicContact CG2-CD2 4.15Å; I53-Y131 HydrophobicContact CG2-CE2 3.85Å
54	G	97.8	Very high	97.8	Very high	31 Å²	31	44.2 Å²	44.2	32%	0.32	25%	0.247	S	C	.	.	H	α-helix	trans	-59.5	-45.2	177	0	0	0	0	0	112.5	K50 N51 K56 R57 A58	K50-G54 WeakPolarHBondContact O-CA 3.34Å; K50-G54 PolarHBondContact O-N 3.46Å; N51-G54 PolarHBondContact O-N 3.08Å; G54-K56 PolarHBondContact O-N 3.26Å; G54-R57 PolarHBondContact O-N 3.19Å; G54-A58 WeakPolarHBondContact O-CB 3.48Å; G54-A58 PolarHBondContact O-N 2.88Å
55	A	97.8	Very high	97.7	Very high	63 Å²	63	46.8 Å²	46.8	52%	0.521	27%	0.266	S	S	.	.	H	α-helix	trans	-61.3	-42.3	176	0	0	0	0	0	112	N51 L52 I53 A58 A59	N51-A55 WeakPolarHBondContact O-CB 3.43Å; N51-A55 PolarHBondContact O-N 3.35Å; L52-A55 PolarHBondContact O-N 2.98Å; I53-A55 PolarHBondContact O-N 3.46Å; A55-A58 PolarHBondContact O-N 3.13Å; A55-A59 PolarHBondContact O-N 2.89Å
56	K	98.1	Very high	97.6	Very high	64 Å²	64	50.2 Å²	50.2	28%	0.278	28%	0.283	S	S	.	.	H	α-helix	trans	-69.4	-41.5	178.1	-60.2	-60.8	175.6	-177.2	0	112.9	L52 I53 G54 A58 A59 M60 V89 E92 M93 I96	L52-K56 WeakPolarHBondContact O-CG 3.38Å; L52-K56 PolarHBondContact O-N 2.79Å; I53-K56 PolarHBondContact O-N 2.82Å; G54-K56 PolarHBondContact O-N 3.26Å; K56-A58 VanDerWaalsContact C-N 3.3Å; K56-A58 PolarHBondContact O-N 2.77Å; K56-A59 WeakPolarHBondContact O-CB 3.48Å; K56-A59 PolarHBondContact O-N 3.36Å; K56-A59 VanDerWaalsContact O-N 3.15Å; K56-M60 PolarHBondContact O-N 3.49Å; K56-V89 HydrophobicContact CB-CG1 4.38Å; K56-V89 HydrophobicContact CD-CG1 4.37Å; K56-E92 HydrophobicContact CD-CB 4.42Å; K56-E92 VanDerWaalsContact CE-OE2 3.31Å; K56-E92 WeakPolarHBondContact CE-OE2 3.09Å; K56-E92 IonicContact NZ-OE2 2.91Å; K56-E92 PolarHBondContact NZ-OE2 3.34Å; K56-M93 HydrophobicContact CB-CG 3.35Å; K56-M93 HydrophobicContact CB-SD 3.92Å; K56-M93 HydrophobicContact CG-CG 4.15Å; K56-I96 HydrophobicContact CG-CD1 3.87Å
57	R	97.6	Very high	97.4	Very high	46 Å²	46	49.9 Å²	49.9	17%	0.174	28%	0.279	C	S	.	.	H	α-helix	trans	-61.5	-38.6	174.2	-71.9	-179.9	71.8	-126.8	1.6	112	I53 G54 M60 R61 M93 E134	I53-R57 HydrophobicContact CG1-CG 4.32Å; I53-R57 WeakPolarHBondContact O-CB 3.44Å; I53-R57 WeakPolarHBondContact O-CG 3.45Å; I53-R57 PolarHBondContact O-N 3.09Å; G54-R57 PolarHBondContact O-N 3.19Å; R57-M60 PolarHBondContact O-N 3.33Å; R57-R61 PolarHBondContact O-N 3.3Å; R57-M93 HydrophobicContact CG-CE 3.53Å; R57-M93 HydrophobicContact CG-SD 4.38Å; R57-E134 IonicContact CZ-OE1 3.82Å; R57-E134 IonicContact CZ-OE2 3.31Å; R57-E134 IonicContact NE-OE1 3.56Å; R57-E134 PolarHBondContact NE-OE1 3.2Å; R57-E134 IonicContact NE-OE2 2.87Å; R57-E134 PolarHBondContact NE-OE2 3.04Å; R57-E134 IonicContact NH2-OE1 3.41Å; R57-E134 PolarHBondContact NH2-OE1 2.99Å; R57-E134 IonicContact NH2-OE2 2.65Å; R57-E134 PolarHBondContact NH2-OE2 3.35Å
58	A	97.6	Very high	97.3	Very high	35 Å²	35	52.8 Å²	52.8	29%	0.289	29%	0.292	S	S	.	.	H	α-helix	trans	-63.7	-44.2	173.2	0	0	0	0	0	111.8	G54 A55 K56 M60 R61 I62	G54-A58 WeakPolarHBondContact O-CB 3.48Å; G54-A58 PolarHBondContact O-N 2.88Å; A55-A58 PolarHBondContact O-N 3.13Å; K56-A58 VanDerWaalsContact C-N 3.3Å; K56-A58 PolarHBondContact O-N 2.77Å; A58-M60 VanDerWaalsContact C-N 3.35Å; A58-M60 PolarHBondContact O-N 3.49Å; A58-R61 PolarHBondContact O-N 2.96Å; A58-I62 WeakPolarHBondContact O-CG1 3.37Å; A58-I62 PolarHBondContact O-N 3.49Å
59	A	98	Very high	97.1	Very high	33 Å²	33	58.9 Å²	58.9	27%	0.273	32%	0.318	S	S	.	.	H	α-helix	trans	-59.2	-44.1	174.6	0	0	0	0	0	111.9	A55 K56 R61 I62 I63 V89	A55-A59 PolarHBondContact O-N 2.89Å; K56-A59 WeakPolarHBondContact O-CB 3.48Å; K56-A59 PolarHBondContact O-N 3.36Å; K56-A59 VanDerWaalsContact O-N 3.15Å; A59-R61 PolarHBondContact O-N 3.47Å; A59-I62 PolarHBondContact O-N 3.02Å; A59-I63 WeakPolarHBondContact O-CD1 3.48Å; A59-I63 VanDerWaalsContact O-CG1 3.23Å; A59-I63 WeakPolarHBondContact O-CG1 3.47Å; A59-I63 PolarHBondContact O-N 3.43Å; A59-V89 HydrophobicContact CB-CG1 4.4Å
60	M	97.4	Very high	97	Very high	32 Å²	32	59.8 Å²	59.8	16%	0.158	32%	0.323	C	S	.	.	H	α-helix	trans	-57.8	-44.4	177.3	-78.3	-62.2	-72.9	0	0	113.1	K56 R57 A58 I62 I63 G64 R86 V89 E90 M93 F135	K56-M60 PolarHBondContact O-N 3.49Å; R57-M60 PolarHBondContact O-N 3.33Å; A58-M60 VanDerWaalsContact C-N 3.35Å; A58-M60 PolarHBondContact O-N 3.49Å; M60-I62 VanDerWaalsContact C-N 3.33Å; M60-I62 PolarHBondContact O-N 3.47Å; M60-I63 PolarHBondContact O-N 2.9Å; M60-G64 PolarHBondContact O-N 2.94Å; M60-R86 HydrophobicContact CE-CG 3.71Å; M60-R86 HydrophobicContact SD-CG 3.95Å; M60-V89 HydrophobicContact CG-CG1 3.72Å; M60-V89 HydrophobicContact SD-CB 3.88Å; M60-V89 HydrophobicContact SD-CG1 3.72Å; M60-E90 HydrophobicContact CE-CG 3.48Å; M60-E90 VanDerWaalsContact CE-CG 3.48Å; M60-E90 HydrophobicContact SD-CG 3.97Å; M60-M93 HydrophobicContact CB-SD 4.44Å; M60-M93 HydrophobicContact CG-SD 3.38Å; M60-M93 WeakPolarHBondContact CG-SD 3.42Å; M60-F135 HydrophobicContact CE-CB 4.38Å
61	R	96.5	Very high	96.8	Very high	148 Å²	148	58.1 Å²	58.1	56%	0.558	32%	0.317	S	S	*	.	H	α-helix	trans	-61.7	-41.1	176.9	-70.3	-171.5	-66	-90.9	3.1	112.5	R57 A58 A59 S65	R57-R61 PolarHBondContact O-N 3.3Å; A58-R61 PolarHBondContact O-N 2.96Å; A59-R61 PolarHBondContact O-N 3.47Å; R61-S65 PolarHBondContact O-N 3.27Å; R61-S65 VanDerWaalsContact O-N 3.12Å; R61-S65 PolarHBondContact O-OG 2.89Å
62	I	97.7	Very high	96.7	Very high	105 Å²	105	60.6 Å²	60.6	54%	0.538	34%	0.335	S	S	.	.	H	α-helix	trans	-65.3	-45.4	176.7	-66	168.6	0	0	0	110.2	A58 A59 M60 G64 S65 I66	A58-I62 WeakPolarHBondContact O-CG1 3.37Å; A58-I62 PolarHBondContact O-N 3.49Å; A59-I62 PolarHBondContact O-N 3.02Å; M60-I62 VanDerWaalsContact C-N 3.33Å; M60-I62 PolarHBondContact O-N 3.47Å; I62-G64 PolarHBondContact O-N 3.35Å; I62-S65 WeakPolarHBondContact O-CB 3.35Å; I62-S65 PolarHBondContact O-N 3.16Å; I62-S65 VanDerWaalsContact O-N 3.17Å; I62-I66 HydrophobicContact CG2-CD1 3.82Å; I62-I66 HydrophobicContact CG2-CG1 4.44Å; I62-I66 WeakPolarHBondContact O-CG1 3.49Å; I62-I66 PolarHBondContact O-N 3.43Å
63	I	97.5	Very high	96.6	Very high	9 Å²	9	64.4 Å²	64.4	5%	0.046	35%	0.349	C	S	.	.	H	α-helix	trans	-60.5	-47	179.4	-68.4	163.5	0	0	0	110.7	A59 M60 S65 I66 E67 T82 Y85 R86 V89	A59-I63 WeakPolarHBondContact O-CD1 3.48Å; A59-I63 VanDerWaalsContact O-CG1 3.23Å; A59-I63 WeakPolarHBondContact O-CG1 3.47Å; A59-I63 PolarHBondContact O-N 3.43Å; M60-I63 PolarHBondContact O-N 2.9Å; I63-S65 VanDerWaalsContact C-N 3.27Å; I63-S65 PolarHBondContact O-N 2.87Å; I63-I66 PolarHBondContact O-N 3.24Å; I63-E67 PolarHBondContact O-N 2.85Å; I63-T82 HydrophobicContact CG2-CG2 3.85Å; I63-Y85 HydrophobicContact CD1-CD1 3.62Å; I63-Y85 HydrophobicContact CD1-CE1 3.72Å; I63-Y85 HydrophobicContact CG1-CD1 4.01Å; I63-Y85 HydrophobicContact CG1-CE1 4.23Å; I63-R86 HydrophobicContact CG2-CB 3.69Å; I63-R86 HydrophobicContact CG2-CG 4.16Å; I63-V89 HydrophobicContact CD1-CB 4.21Å; I63-V89 HydrophobicContact CD1-CG2 3.64Å
64	G	94.4	Very high	96.3	Very high	33 Å²	33	67 Å²	67	34%	0.34	38%	0.377	S	S	.	.	H	α-helix	trans	-59.3	-38.2	175.8	0	0	0	0	0	112.7	M60 I62 I66 E67 L68	M60-G64 PolarHBondContact O-N 2.94Å; I62-G64 PolarHBondContact O-N 3.35Å; G64-I66 VanDerWaalsContact C-N 3.34Å; G64-I66 PolarHBondContact O-N 3.48Å; G64-E67 PolarHBondContact O-N 3.07Å; G64-L68 PolarHBondContact O-N 2.82Å
65	S	96.5	Very high	96	Very high	64 Å²	64	70.4 Å²	70.4	45%	0.448	38%	0.383	S	S	.	.	H	α-helix	trans	-67	-32.8	174.9	-57.3	0	0	0	0	113.2	R61 I62 I63 K69	R61-S65 PolarHBondContact O-N 3.27Å; R61-S65 VanDerWaalsContact O-N 3.12Å; R61-S65 PolarHBondContact O-OG 2.89Å; I62-S65 WeakPolarHBondContact O-CB 3.35Å; I62-S65 PolarHBondContact O-N 3.16Å; I62-S65 VanDerWaalsContact O-N 3.17Å; I63-S65 VanDerWaalsContact C-N 3.27Å; I63-S65 PolarHBondContact O-N 2.87Å; S65-K69 VanDerWaalsContact O-CG 3.27Å; S65-K69 WeakPolarHBondContact O-CG 2.96Å; S65-K69 PolarHBondContact O-N 3.27Å
66	I	97.1	Very high	95.9	Very high	73 Å²	73	74.6 Å²	74.6	37%	0.374	39%	0.392	S	S	.	.	H	α-helix	trans	-73.4	-43.9	175.5	-68.7	167.3	0	0	0	110.1	I62 I63 G64 L68 K69 E70 T82	I62-I66 HydrophobicContact CG2-CD1 3.82Å; I62-I66 HydrophobicContact CG2-CG1 4.44Å; I62-I66 WeakPolarHBondContact O-CG1 3.49Å; I62-I66 PolarHBondContact O-N 3.43Å; I63-I66 PolarHBondContact O-N 3.24Å; G64-I66 VanDerWaalsContact C-N 3.34Å; G64-I66 PolarHBondContact O-N 3.48Å; I66-L68 PolarHBondContact O-N 3.18Å; I66-K69 WeakPolarHBondContact O-CB 3.33Å; I66-K69 PolarHBondContact O-N 3.4Å; I66-E70 HydrophobicContact CG2-CG 4.23Å; I66-E70 WeakPolarHBondContact O-CG 3.28Å; I66-E70 PolarHBondContact O-N 3.04Å; I66-T82 HydrophobicContact CB-CG2 4.42Å; I66-T82 HydrophobicContact CG2-CG2 4.1Å
67	E	94.2	Very high	95.8	Very high	25 Å²	25	75.2 Å²	75.2	12%	0.117	40%	0.404	C	S	.	.	H	α-helix	trans	-55.1	-51.7	179.5	-163.5	167.6	-169.1	0	0	110.1	I63 G64 K69 E70 E71 T82 R86	I63-E67 PolarHBondContact O-N 2.85Å; G64-E67 PolarHBondContact O-N 3.07Å; E67-K69 VanDerWaalsContact C-N 3.31Å; E67-K69 PolarHBondContact O-N 2.69Å; E67-E70 PolarHBondContact O-N 3.04Å; E67-E70 VanDerWaalsContact O-N 3.1Å; E67-E71 WeakPolarHBondContact O-CG 3.45Å; E67-E71 PolarHBondContact O-N 3.33Å; E67-T82 HydrophobicContact CB-CG2 3.78Å; E67-T82 HydrophobicContact CG-CG2 4.26Å; E67-R86 IonicContact OE1-NE 2.94Å; E67-R86 IonicContact OE1-NH2 3.8Å; E67-R86 PolarHBondContact OE1-NH2 3.32Å; E67-R86 IonicContact OE2-CZ 2.93Å; E67-R86 IonicContact OE2-NE 2.72Å; E67-R86 PolarHBondContact OE2-NE 3.4Å; E67-R86 IonicContact OE2-NH2 3.79Å
68	L	94.4	Very high	95.8	Very high	105 Å²	105	76.6 Å²	76.6	55%	0.55	41%	0.413	S	S	.	.	H	α-helix	trans	-58.5	-38.5	175.8	-176.4	64.4	0	0	0	113.2	G64 I66 T72	G64-L68 PolarHBondContact O-N 2.82Å; I66-L68 PolarHBondContact O-N 3.18Å; L68-T72 WeakPolarHBondContact O-CG2 3.33Å; L68-T72 PolarHBondContact O-N 3.3Å; L68-T72 VanDerWaalsContact O-N 3.1Å; L68-T72 PolarHBondContact O-OG1 3.1Å
69	K	96	Very high	95.7	Very high	127 Å²	127	76.4 Å²	76.4	55%	0.552	41%	0.408	S	S	*	.	H	α-helix	trans	-70.2	-31.6	177.6	-77.3	174.9	-174.7	176.7	0	112.9	S65 I66 E67 T72 K73	S65-K69 VanDerWaalsContact O-CG 3.27Å; S65-K69 WeakPolarHBondContact O-CG 2.96Å; S65-K69 PolarHBondContact O-N 3.27Å; I66-K69 WeakPolarHBondContact O-CB 3.33Å; I66-K69 PolarHBondContact O-N 3.4Å; E67-K69 VanDerWaalsContact C-N 3.31Å; E67-K69 PolarHBondContact O-N 2.69Å; K69-T72 WeakPolarHBondContact CA-OG1 3.49Å; K69-T72 PolarHBondContact O-OG1 3.12Å; K69-K73 WeakPolarHBondContact O-CD 3.18Å; K69-K73 WeakPolarHBondContact O-CE 3.32Å; K69-K73 VanDerWaalsContact O-CG 3.26Å; K69-K73 WeakPolarHBondContact O-CG 3.44Å
70	E	96.1	Very high	95.7	Very high	22 Å²	22	83.4 Å²	83.4	10%	0.103	43%	0.427	C	S	.	.	H	α-helix	trans	-81.9	-31.4	177.8	-64.3	-56.1	120.6	0	0	111.7	I66 E67 K73 G74 K75 H78 V79	I66-E70 HydrophobicContact CG2-CG 4.23Å; I66-E70 WeakPolarHBondContact O-CG 3.28Å; I66-E70 PolarHBondContact O-N 3.04Å; E67-E70 PolarHBondContact O-N 3.04Å; E67-E70 VanDerWaalsContact O-N 3.1Å; E70-K73 PolarHBondContact O-N 2.75Å; E70-K73 IonicContact OE1-NZ 3.87Å; E70-K73 PolarHBondContact OE1-NZ 3.04Å; E70-G74 PolarHBondContact O-N 3.21Å; E70-K75 PolarHBondContact O-N 3.45Å; E70-K75 WeakPolarHBondContact OE2-CD 3.42Å; E70-H78 HydrophobicContact CB-CB 4.11Å; E70-H78 HydrophobicContact CG-CB 3.97Å; E70-H78 WeakPolarHBondContact OE2-CB 3.41Å; E70-H78 IonicContact OE2-CE1 3.96Å; E70-H78 IonicContact OE2-CG 3.57Å; E70-H78 IonicContact OE2-ND1 2.83Å; E70-H78 PolarHBondContact OE2-ND1 3.4Å; E70-V79 HydrophobicContact CB-CG2 3.97Å
71	E	94.5	Very high	95.7	Very high	105 Å²	105	87.3 Å²	87.3	49%	0.491	45%	0.445	S	S	.	.	H	α-helix	trans	-60.9	-48.5	170.2	-73.8	177.1	169.8	0	0	111.6	E67 K73 G74 V79	E67-E71 WeakPolarHBondContact O-CG 3.45Å; E67-E71 PolarHBondContact O-N 3.33Å; E71-K73 PolarHBondContact O-N 2.94Å; E71-G74 PolarHBondContact O-N 3.39Å; E71-V79 HydrophobicContact CB-CG2 4.37Å; E71-V79 HydrophobicContact CG-CG1 3.95Å; E71-V79 HydrophobicContact CG-CG2 3.72Å
72	T	95.6	Very high	95.7	Very high	111 Å²	111	81.2 Å²	81.2	68%	0.681	42%	0.424	S	S	*	.	H	α-helix	trans	-63.1	-24.1	177.6	49	0	0	0	0	113.6	L68 K69	L68-T72 WeakPolarHBondContact O-CG2 3.33Å; L68-T72 PolarHBondContact O-N 3.3Å; L68-T72 VanDerWaalsContact O-N 3.1Å; L68-T72 PolarHBondContact O-OG1 3.1Å; K69-T72 WeakPolarHBondContact CA-OG1 3.49Å; K69-T72 PolarHBondContact O-OG1 3.12Å
73	K	95.2	Very high	95.6	Very high	119 Å²	119	77 Å²	77	52%	0.517	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-7.2	173.4	-67.7	170.1	-164.5	165.6	0	113.5	K69 E70 E71 K75	K69-K73 WeakPolarHBondContact O-CD 3.18Å; K69-K73 WeakPolarHBondContact O-CE 3.32Å; K69-K73 VanDerWaalsContact O-CG 3.26Å; K69-K73 WeakPolarHBondContact O-CG 3.44Å; E70-K73 PolarHBondContact O-N 2.75Å; E70-K73 IonicContact OE1-NZ 3.87Å; E70-K73 PolarHBondContact OE1-NZ 3.04Å; E71-K73 PolarHBondContact O-N 2.94Å; K73-K75 VanDerWaalsContact C-N 3.26Å; K73-K75 HydrophobicContact CB-CD 4.39Å; K73-K75 HydrophobicContact CB-CG 4.05Å; K73-K75 PolarHBondContact O-N 3.04Å
74	G	92.3	Very high	95.6	Very high	58 Å²	58	83.2 Å²	83.2	60%	0.598	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	22.6	-175.2	0	0	0	0	0	114.1	E70 E71 E76	E70-G74 PolarHBondContact O-N 3.21Å; E71-G74 PolarHBondContact O-N 3.39Å; G74-E76 PolarHBondContact O-N 3.01Å
75	K	92.7	Very high	95.8	Very high	102 Å²	102	88.3 Å²	88.3	44%	0.443	44%	0.444	S	S	.	.			trans	-89	75.5	-177.9	-69	-172.6	-178.8	-177.4	0	111.2	E70 K73 S77 H78 V79	E70-K75 PolarHBondContact O-N 3.45Å; E70-K75 WeakPolarHBondContact OE2-CD 3.42Å; K73-K75 VanDerWaalsContact C-N 3.26Å; K73-K75 HydrophobicContact CB-CD 4.39Å; K73-K75 HydrophobicContact CB-CG 4.05Å; K73-K75 PolarHBondContact O-N 3.04Å; K75-S77 VanDerWaalsContact C-N 3.25Å; K75-S77 PolarHBondContact O-N 3.47Å; K75-S77 VanDerWaalsContact O-N 3.1Å; K75-H78 HydrophobicContact CB-CB 4.11Å; K75-H78 WeakPolarHBondContact CD-ND1 3.3Å; K75-H78 PolarHBondContact O-N 3.17Å; K75-V79 PolarHBondContact O-N 2.97Å
76	E	94	Very high	95.8	Very high	151 Å²	151	88.6 Å²	88.6	71%	0.706	44%	0.435	S	S	*	.	H	α-helix	trans	-51.5	-38.6	-174.5	-64.6	-175.5	176.5	0	0	114.6	G74 H78 V79 R80	G74-E76 PolarHBondContact O-N 3.01Å; E76-H78 PolarHBondContact O-N 3.34Å; E76-V79 PolarHBondContact O-N 3.1Å; E76-R80 PolarHBondContact O-N 3.21Å
77	S	96.8	Very high	95.8	Very high	76 Å²	76	93.2 Å²	93.2	53%	0.531	45%	0.448	S	S	.	.	H	α-helix	trans	-63.1	-41.3	177.3	-174.9	0	0	0	0	112.1	K75 R80 Q81	K75-S77 VanDerWaalsContact C-N 3.25Å; K75-S77 PolarHBondContact O-N 3.47Å; K75-S77 VanDerWaalsContact O-N 3.1Å; S77-R80 PolarHBondContact O-N 2.96Å; S77-Q81 WeakPolarHBondContact O-CG 3.34Å; S77-Q81 PolarHBondContact O-N 3.26Å
78	H	97.2	Very high	96	Very high	76 Å²	76	97.9 Å²	97.9	35%	0.352	47%	0.468	S	S	.	.	H	α-helix	trans	-73.5	-36.6	179.2	-67.4	-180	0	0	0	111.6	E70 K75 E76 R80 Q81 T82	E70-H78 HydrophobicContact CB-CB 4.11Å; E70-H78 HydrophobicContact CG-CB 3.97Å; E70-H78 WeakPolarHBondContact OE2-CB 3.41Å; E70-H78 IonicContact OE2-CE1 3.96Å; E70-H78 IonicContact OE2-CG 3.57Å; E70-H78 IonicContact OE2-ND1 2.83Å; E70-H78 PolarHBondContact OE2-ND1 3.4Å; K75-H78 HydrophobicContact CB-CB 4.11Å; K75-H78 WeakPolarHBondContact CD-ND1 3.3Å; K75-H78 PolarHBondContact O-N 3.17Å; E76-H78 PolarHBondContact O-N 3.34Å; H78-R80 VanDerWaalsContact C-N 3.3Å; H78-R80 PolarHBondContact O-N 3.21Å; H78-Q81 PolarHBondContact O-N 3.15Å; H78-T82 WeakPolarHBondContact O-CB 3.33Å; H78-T82 PolarHBondContact O-N 3.33Å; H78-T82 PolarHBondContact O-OG1 3.21Å
79	V	96.3	Very high	96.2	Very high	30 Å²	30	93.1 Å²	93.1	18%	0.182	44%	0.443	C	S	.	.	H	α-helix	trans	-57.1	-47.7	172.6	176.1	0	0	0	0	109.8	E70 E71 K75 E76 Q81 T82 A83	E70-V79 HydrophobicContact CB-CG2 3.97Å; E71-V79 HydrophobicContact CB-CG2 4.37Å; E71-V79 HydrophobicContact CG-CG1 3.95Å; E71-V79 HydrophobicContact CG-CG2 3.72Å; K75-V79 PolarHBondContact O-N 2.97Å; E76-V79 PolarHBondContact O-N 3.1Å; V79-Q81 PolarHBondContact O-N 3.22Å; V79-T82 PolarHBondContact O-N 2.95Å; V79-A83 WeakPolarHBondContact O-CB 3.17Å; V79-A83 PolarHBondContact O-N 2.81Å
80	R	96.6	Very high	96.3	Very high	181 Å²	181	88.5 Å²	88.5	68%	0.683	42%	0.423	S	S	*	.	H	α-helix	trans	-61.6	-45.5	177.8	-167.3	-175.3	-50.2	-168.1	3.7	113.1	E76 S77 H78 T82 A83 E84	E76-R80 PolarHBondContact O-N 3.21Å; S77-R80 PolarHBondContact O-N 2.96Å; H78-R80 VanDerWaalsContact C-N 3.3Å; H78-R80 PolarHBondContact O-N 3.21Å; R80-T82 VanDerWaalsContact C-N 3.32Å; R80-T82 PolarHBondContact O-N 3.34Å; R80-A83 PolarHBondContact O-N 3.37Å; R80-E84 PolarHBondContact O-N 2.84Å
81	Q	97.7	Very high	96.4	Very high	114 Å²	114	90.5 Å²	90.5	53%	0.533	44%	0.444	S	S	.	.	H	α-helix	trans	-63.4	-39.1	177.3	-74.7	174.2	-27.8	0	0	111.8	S77 H78 V79 E84 Y85	S77-Q81 WeakPolarHBondContact O-CG 3.34Å; S77-Q81 PolarHBondContact O-N 3.26Å; H78-Q81 PolarHBondContact O-N 3.15Å; V79-Q81 PolarHBondContact O-N 3.22Å; Q81-E84 PolarHBondContact O-N 3.13Å; Q81-Y85 WeakPolarHBondContact O-CB 3.1Å; Q81-Y85 PolarHBondContact O-N 2.69Å
82	T	97.2	Very high	96.6	Very high	19 Å²	19	88.4 Å²	88.4	12%	0.117	43%	0.434	C	S	.	.	H	α-helix	trans	-66.8	-43.1	177.8	-54.2	0	0	0	0	110.8	I63 I66 E67 H78 V79 R80 E84 Y85 R86	I63-T82 HydrophobicContact CG2-CG2 3.85Å; I66-T82 HydrophobicContact CB-CG2 4.42Å; I66-T82 HydrophobicContact CG2-CG2 4.1Å; E67-T82 HydrophobicContact CB-CG2 3.78Å; E67-T82 HydrophobicContact CG-CG2 4.26Å; H78-T82 WeakPolarHBondContact O-CB 3.33Å; H78-T82 PolarHBondContact O-N 3.33Å; H78-T82 PolarHBondContact O-OG1 3.21Å; V79-T82 PolarHBondContact O-N 2.95Å; R80-T82 VanDerWaalsContact C-N 3.32Å; R80-T82 PolarHBondContact O-N 3.34Å; T82-E84 PolarHBondContact O-N 3.37Å; T82-Y85 PolarHBondContact O-N 2.91Å; T82-R86 WeakPolarHBondContact O-CB 3.38Å; T82-R86 PolarHBondContact O-N 2.87Å
83	A	96.1	Very high	96.8	Very high	18 Å²	18	83.2 Å²	83.2	15%	0.149	40%	0.402	C	S	.	.	H	α-helix	trans	-63.4	-38.6	175.4	0	0	0	0	0	112.8	V79 R80 R86 R87	V79-A83 WeakPolarHBondContact O-CB 3.17Å; V79-A83 PolarHBondContact O-N 2.81Å; R80-A83 PolarHBondContact O-N 3.37Å; A83-R86 WeakPolarHBondContact O-CB 3.49Å; A83-R86 PolarHBondContact O-N 3.43Å; A83-R87 WeakPolarHBondContact O-CG 3.38Å; A83-R87 PolarHBondContact O-N 2.85Å; A83-R87 VanDerWaalsContact O-N 3.11Å
84	E	97.1	Very high	96.9	Very high	139 Å²	139	79.5 Å²	79.5	65%	0.65	39%	0.388	S	S	*	.	H	α-helix	trans	-65	-43.8	174	-175.7	177.7	-176.5	0	0	111.6	R80 Q81 T82 R86 R87 K88	R80-E84 PolarHBondContact O-N 2.84Å; Q81-E84 PolarHBondContact O-N 3.13Å; T82-E84 PolarHBondContact O-N 3.37Å; E84-R86 VanDerWaalsContact C-N 3.34Å; E84-R86 PolarHBondContact O-N 2.84Å; E84-R87 PolarHBondContact O-N 3.29Å; E84-K88 PolarHBondContact O-N 2.73Å
85	Y	97.8	Very high	97.2	Very high	139 Å²	139	83.1 Å²	83.1	55%	0.545	39%	0.387	S	S	.	.	H	α-helix	trans	-64.9	-38.4	176.3	-168.2	-109.2	0	0	0	112.1	I63 Q81 T82 R87 K88 V89	I63-Y85 HydrophobicContact CD1-CD1 3.62Å; I63-Y85 HydrophobicContact CD1-CE1 3.72Å; I63-Y85 HydrophobicContact CG1-CD1 4.01Å; I63-Y85 HydrophobicContact CG1-CE1 4.23Å; Q81-Y85 WeakPolarHBondContact O-CB 3.1Å; Q81-Y85 PolarHBondContact O-N 2.69Å; T82-Y85 PolarHBondContact O-N 2.91Å; Y85-R87 PolarHBondContact O-N 3.34Å; Y85-K88 WeakPolarHBondContact O-CB 3.22Å; Y85-K88 PolarHBondContact O-N 3.34Å; Y85-V89 HydrophobicContact CE1-CG2 4.25Å; Y85-V89 PolarHBondContact O-N 3.41Å; Y85-V89 VanDerWaalsContact O-N 3.17Å
86	R	97.7	Very high	97.5	Very high	71 Å²	71	79.3 Å²	79.3	27%	0.268	37%	0.371	S	S	.	.	H	α-helix	trans	-55.5	-50.4	172.5	-175.9	167.4	52.5	89.4	-7.4	111.3	M60 I63 E67 T82 A83 E84 K88 V89 E90	M60-R86 HydrophobicContact CE-CG 3.71Å; M60-R86 HydrophobicContact SD-CG 3.95Å; I63-R86 HydrophobicContact CG2-CB 3.69Å; I63-R86 HydrophobicContact CG2-CG 4.16Å; E67-R86 IonicContact OE1-NE 2.94Å; E67-R86 IonicContact OE1-NH2 3.8Å; E67-R86 PolarHBondContact OE1-NH2 3.32Å; E67-R86 IonicContact OE2-CZ 2.93Å; E67-R86 IonicContact OE2-NE 2.72Å; E67-R86 PolarHBondContact OE2-NE 3.4Å; E67-R86 IonicContact OE2-NH2 3.79Å; T82-R86 WeakPolarHBondContact O-CB 3.38Å; T82-R86 PolarHBondContact O-N 2.87Å; A83-R86 WeakPolarHBondContact O-CB 3.49Å; A83-R86 PolarHBondContact O-N 3.43Å; E84-R86 VanDerWaalsContact C-N 3.34Å; E84-R86 PolarHBondContact O-N 2.84Å; R86-K88 PolarHBondContact O-N 2.92Å; R86-V89 PolarHBondContact O-N 2.89Å; R86-E90 HydrophobicContact CG-CG 4.35Å; R86-E90 WeakPolarHBondContact CG-OE1 3.36Å; R86-E90 IonicContact CZ-OE1 3.72Å; R86-E90 IonicContact NH1-OE1 3.89Å; R86-E90 PolarHBondContact NH1-OE1 3.27Å; R86-E90 IonicContact NH1-OE2 2.84Å; R86-E90 WeakPolarHBondContact O-CG 3.16Å; R86-E90 PolarHBondContact O-N 3.09Å
87	R	97.5	Very high	97.7	Very high	170 Å²	170	72.1 Å²	72.1	64%	0.642	34%	0.338	S	S	*	.	H	α-helix	trans	-58.7	-35.1	178	-72.5	176.3	-176.1	164.5	1.8	113.2	A83 E84 Y85 E90 A91	A83-R87 WeakPolarHBondContact O-CG 3.38Å; A83-R87 PolarHBondContact O-N 2.85Å; A83-R87 VanDerWaalsContact O-N 3.11Å; E84-R87 PolarHBondContact O-N 3.29Å; Y85-R87 PolarHBondContact O-N 3.34Å; R87-E90 PolarHBondContact O-N 3.43Å; R87-A91 WeakPolarHBondContact O-CB 3.38Å; R87-A91 PolarHBondContact O-N 3Å
88	K	98.1	Very high	97.8	Very high	123 Å²	123	70.6 Å²	70.6	54%	0.535	33%	0.326	S	S	.	.	H	α-helix	trans	-63.2	-45.4	174.3	-177	-177.9	174.6	-176.5	0	111.3	E84 Y85 R86 A91 E92	E84-K88 PolarHBondContact O-N 2.73Å; Y85-K88 WeakPolarHBondContact O-CB 3.22Å; Y85-K88 PolarHBondContact O-N 3.34Å; R86-K88 PolarHBondContact O-N 2.92Å; K88-A91 PolarHBondContact O-N 2.81Å; K88-E92 WeakPolarHBondContact CE-OE1 3.35Å; K88-E92 WeakPolarHBondContact O-CG 3.01Å; K88-E92 PolarHBondContact O-N 3.33Å; K88-E92 VanDerWaalsContact O-N 3.08Å
89	V	98.3	Very high	97.9	Very high	4 Å²	4	70 Å²	70	2%	0.024	33%	0.326	C	S	.	.	H	α-helix	trans	-67.8	-38.9	178	-179.6	0	0	0	0	111.3	K56 A59 M60 I63 Y85 R86 A91 E92 M93	K56-V89 HydrophobicContact CB-CG1 4.38Å; K56-V89 HydrophobicContact CD-CG1 4.37Å; A59-V89 HydrophobicContact CB-CG1 4.4Å; M60-V89 HydrophobicContact CG-CG1 3.72Å; M60-V89 HydrophobicContact SD-CB 3.88Å; M60-V89 HydrophobicContact SD-CG1 3.72Å; I63-V89 HydrophobicContact CD1-CB 4.21Å; I63-V89 HydrophobicContact CD1-CG2 3.64Å; Y85-V89 HydrophobicContact CE1-CG2 4.25Å; Y85-V89 PolarHBondContact O-N 3.41Å; Y85-V89 VanDerWaalsContact O-N 3.17Å; R86-V89 PolarHBondContact O-N 2.89Å; V89-A91 VanDerWaalsContact C-N 3.34Å; V89-A91 PolarHBondContact O-N 3.45Å; V89-E92 PolarHBondContact O-N 3.45Å; V89-M93 HydrophobicContact CG1-SD 4.42Å; V89-M93 WeakPolarHBondContact O-CG 3.44Å; V89-M93 PolarHBondContact O-N 2.94Å
90	E	98.2	Very high	98	Very high	31 Å²	31	68.6 Å²	68.6	15%	0.145	32%	0.318	C	S	.	.	H	α-helix	trans	-57.9	-44.6	172.5	-71	169.3	175.6	0	0	111.4	M60 R86 R87 E92 M93 D94 F135	M60-E90 HydrophobicContact CE-CG 3.48Å; M60-E90 VanDerWaalsContact CE-CG 3.48Å; M60-E90 HydrophobicContact SD-CG 3.97Å; R86-E90 HydrophobicContact CG-CG 4.35Å; R86-E90 WeakPolarHBondContact CG-OE1 3.36Å; R86-E90 IonicContact CZ-OE1 3.72Å; R86-E90 IonicContact NH1-OE1 3.89Å; R86-E90 PolarHBondContact NH1-OE1 3.27Å; R86-E90 IonicContact NH1-OE2 2.84Å; R86-E90 WeakPolarHBondContact O-CG 3.16Å; R86-E90 PolarHBondContact O-N 3.09Å; R87-E90 PolarHBondContact O-N 3.43Å; E90-E92 VanDerWaalsContact C-N 3.34Å; E90-E92 PolarHBondContact O-N 3.37Å; E90-M93 PolarHBondContact O-N 3.28Å; E90-D94 WeakPolarHBondContact O-CB 3.46Å; E90-D94 PolarHBondContact O-N 2.93Å; E90-F135 HydrophobicContact CB-CD2 3.81Å; E90-F135 HydrophobicContact CB-CE2 4.06Å; E90-F135 HydrophobicContact CB-CG 4.44Å; E90-F135 HydrophobicContact CG-CB 4.06Å; E90-F135 HydrophobicContact CG-CD2 3.82Å; E90-F135 HydrophobicContact CG-CG 4.07Å
91	A	98.4	Very high	98.1	Very high	64 Å²	64	60.4 Å²	60.4	53%	0.529	29%	0.287	S	S	.	.	H	α-helix	trans	-64.8	-36.5	176.7	0	0	0	0	0	112.9	R87 K88 V89 K95	R87-A91 WeakPolarHBondContact O-CB 3.38Å; R87-A91 PolarHBondContact O-N 3Å; K88-A91 PolarHBondContact O-N 2.81Å; V89-A91 VanDerWaalsContact C-N 3.34Å; V89-A91 PolarHBondContact O-N 3.45Å; A91-K95 WeakPolarHBondContact O-CB 3.42Å; A91-K95 PolarHBondContact O-N 2.96Å; A91-K95 VanDerWaalsContact O-N 3.09Å
92	E	98.3	Very high	98.1	Very high	61 Å²	61	58.5 Å²	58.5	29%	0.285	28%	0.28	S	S	.	.	H	α-helix	trans	-67.1	-40.6	173.8	-69.6	169.7	-175.7	0	0	111.6	K56 K88 V89 E90 I96	K56-E92 HydrophobicContact CD-CB 4.42Å; K56-E92 VanDerWaalsContact CE-OE2 3.31Å; K56-E92 WeakPolarHBondContact CE-OE2 3.09Å; K56-E92 IonicContact NZ-OE2 2.91Å; K56-E92 PolarHBondContact NZ-OE2 3.34Å; K88-E92 WeakPolarHBondContact CE-OE1 3.35Å; K88-E92 WeakPolarHBondContact O-CG 3.01Å; K88-E92 PolarHBondContact O-N 3.33Å; K88-E92 VanDerWaalsContact O-N 3.08Å; V89-E92 PolarHBondContact O-N 3.45Å; E90-E92 VanDerWaalsContact C-N 3.34Å; E90-E92 PolarHBondContact O-N 3.37Å; E92-I96 WeakPolarHBondContact O-CD1 3.43Å; E92-I96 VanDerWaalsContact O-CG1 3.29Å; E92-I96 WeakPolarHBondContact O-CG1 3.39Å; E92-I96 PolarHBondContact O-N 2.99Å; E92-I96 VanDerWaalsContact O-N 3.13Å
93	M	98.4	Very high	98.2	Very high	2 Å²	2	58 Å²	58	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-64.7	-46.2	174.3	-74.1	-177.8	55.6	0	0	112.2	I53 K56 R57 M60 V89 E90 K95 I96 C97 F135	I53-M93 HydrophobicContact CD1-CB 4.08Å; I53-M93 HydrophobicContact CD1-CE 4.1Å; I53-M93 HydrophobicContact CD1-CG 3.97Å; K56-M93 HydrophobicContact CB-CG 3.35Å; K56-M93 HydrophobicContact CB-SD 3.92Å; K56-M93 HydrophobicContact CG-CG 4.15Å; R57-M93 HydrophobicContact CG-CE 3.53Å; R57-M93 HydrophobicContact CG-SD 4.38Å; M60-M93 HydrophobicContact CB-SD 4.44Å; M60-M93 HydrophobicContact CG-SD 3.38Å; M60-M93 WeakPolarHBondContact CG-SD 3.42Å; V89-M93 HydrophobicContact CG1-SD 4.42Å; V89-M93 WeakPolarHBondContact O-CG 3.44Å; V89-M93 PolarHBondContact O-N 2.94Å; E90-M93 PolarHBondContact O-N 3.28Å; M93-K95 VanDerWaalsContact C-N 3.29Å; M93-K95 PolarHBondContact O-N 3.02Å; M93-I96 PolarHBondContact O-N 2.98Å; M93-C97 PolarHBondContact O-N 3.17Å; M93-C97 PolarHBondContact O-SG 3.41Å; M93-C97 VanDerWaalsContact O-SG 3.34Å; M93-F135 HydrophobicContact CB-CE1 3.96Å; M93-F135 HydrophobicContact CB-CZ 4.21Å; M93-F135 HydrophobicContact CE-CD1 3.98Å; M93-F135 HydrophobicContact CE-CE1 3.99Å
94	D	98.6	Very high	98.3	Very high	41 Å²	41	57.1 Å²	57.1	22%	0.219	27%	0.27	C	S	.	.	H	α-helix	trans	-54.6	-49	177.2	-172	-63.1	0	0	0	110.4	E90 I96 C97 C98 L132 F135 K136	E90-D94 WeakPolarHBondContact O-CB 3.46Å; E90-D94 PolarHBondContact O-N 2.93Å; D94-I96 PolarHBondContact O-N 3.17Å; D94-C97 PolarHBondContact O-N 2.98Å; D94-C98 WeakPolarHBondContact O-CB 3.26Å; D94-C98 PolarHBondContact O-N 3.25Å; D94-C98 PolarHBondContact O-SG 3.14Å; D94-C98 VanDerWaalsContact O-SG 3.32Å; D94-C98 PolarHBondContact OD1-SG 3.24Å; D94-C98 VanDerWaalsContact OD1-SG 3.34Å; D94-L132 HydrophobicContact CB-CD2 4.33Å; D94-F135 HydrophobicContact CB-CE2 4.28Å; D94-F135 HydrophobicContact CB-CZ 3.98Å; D94-K136 WeakPolarHBondContact OD2-CE 3.38Å; D94-K136 IonicContact OD2-NZ 3.03Å; D94-K136 PolarHBondContact OD2-NZ 3.46Å
95	K	98.5	Very high	98.3	Very high	133 Å²	133	53.3 Å²	53.3	58%	0.578	25%	0.254	S	S	*	.	H	α-helix	trans	-57.1	-49.6	176.2	-174	-176	175.5	-170.2	0	112.2	A91 M93 C97 C98 D99	A91-K95 WeakPolarHBondContact O-CB 3.42Å; A91-K95 PolarHBondContact O-N 2.96Å; A91-K95 VanDerWaalsContact O-N 3.09Å; M93-K95 VanDerWaalsContact C-N 3.29Å; M93-K95 PolarHBondContact O-N 3.02Å; K95-C97 VanDerWaalsContact C-N 3.34Å; K95-C97 PolarHBondContact O-N 3.32Å; K95-C98 PolarHBondContact O-N 3.32Å; K95-D99 WeakPolarHBondContact O-CB 3.3Å; K95-D99 PolarHBondContact O-N 3.26Å
96	I	98.6	Very high	98.3	Very high	22 Å²	22	52.7 Å²	52.7	11%	0.113	25%	0.254	C	S	.	.	H	α-helix	trans	-59.1	-46.5	-180	-68.3	161.9	0	0	0	110.9	Y49 L52 I53 K56 E92 M93 D94 D99 V100 Y128	Y49-I96 HydrophobicContact CD1-CG2 4.07Å; L52-I96 HydrophobicContact CB-CD1 4.21Å; L52-I96 HydrophobicContact CB-CG2 4.46Å; I53-I96 HydrophobicContact CB-CG2 4.14Å; I53-I96 HydrophobicContact CD1-CB 4.37Å; I53-I96 HydrophobicContact CD1-CG2 4.18Å; K56-I96 HydrophobicContact CG-CD1 3.87Å; E92-I96 WeakPolarHBondContact O-CD1 3.43Å; E92-I96 VanDerWaalsContact O-CG1 3.29Å; E92-I96 WeakPolarHBondContact O-CG1 3.39Å; E92-I96 PolarHBondContact O-N 2.99Å; E92-I96 VanDerWaalsContact O-N 3.13Å; M93-I96 PolarHBondContact O-N 2.98Å; D94-I96 PolarHBondContact O-N 3.17Å; I96-D99 PolarHBondContact O-N 3.29Å; I96-V100 PolarHBondContact O-N 3.38Å; I96-Y128 HydrophobicContact CG2-CE1 4.36Å
97	C	98.8	Very high	98.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.3	-47.1	178.5	-66.3	0	0	0	0	111.7	M93 D94 K95 D99 V100 I101 Y128 L132	M93-C97 PolarHBondContact O-N 3.17Å; M93-C97 PolarHBondContact O-SG 3.41Å; M93-C97 VanDerWaalsContact O-SG 3.34Å; D94-C97 PolarHBondContact O-N 2.98Å; K95-C97 VanDerWaalsContact C-N 3.34Å; K95-C97 PolarHBondContact O-N 3.32Å; C97-D99 PolarHBondContact O-N 3.27Å; C97-V100 VanDerWaalsContact O-CG1 3.28Å; C97-V100 WeakPolarHBondContact O-CG1 3.31Å; C97-V100 PolarHBondContact O-N 3.46Å; C97-I101 WeakPolarHBondContact O-CB 3.24Å; C97-I101 VanDerWaalsContact O-CD1 3.29Å; C97-I101 WeakPolarHBondContact O-CD1 3.28Å; C97-I101 WeakPolarHBondContact O-CG1 3.36Å; C97-I101 PolarHBondContact O-N 3.33Å; C97-Y128 HydrophobicContact CB-CD1 4.21Å; C97-L132 HydrophobicContact CB-CD1 4.01Å; C97-L132 HydrophobicContact CB-CD2 3.65Å; C97-L132 HydrophobicContact CB-CG 3.66Å
98	C	98.5	Very high	98.3	Very high	44 Å²	44	44.6 Å²	44.6	30%	0.297	22%	0.224	S	C	.	.	H	α-helix	trans	-63.4	-40.5	178.8	-73	0	0	0	0	111.9	D94 K95 N102	D94-C98 WeakPolarHBondContact O-CB 3.26Å; D94-C98 PolarHBondContact O-N 3.25Å; D94-C98 PolarHBondContact O-SG 3.14Å; D94-C98 VanDerWaalsContact O-SG 3.32Å; D94-C98 PolarHBondContact OD1-SG 3.24Å; D94-C98 VanDerWaalsContact OD1-SG 3.34Å; K95-C98 PolarHBondContact O-N 3.32Å; C98-N102 VanDerWaalsContact O-CB 3.27Å; C98-N102 WeakPolarHBondContact O-CB 3.39Å; C98-N102 VanDerWaalsContact O-CG 3.22Å; C98-N102 PolarHBondContact O-N 3.45Å; C98-N102 PolarHBondContact O-ND2 3.48Å
99	D	98.5	Very high	98.2	Very high	65 Å²	65	40.2 Å²	40.2	35%	0.348	21%	0.206	S	C	.	.	H	α-helix	trans	-61.3	-48.4	178.7	-74.9	-15.9	0	0	0	111	Y49 K95 I96 C97 N102 I103	Y49-D99 HydrophobicContact CE1-CB 4.48Å; K95-D99 WeakPolarHBondContact O-CB 3.3Å; K95-D99 PolarHBondContact O-N 3.26Å; I96-D99 PolarHBondContact O-N 3.29Å; C97-D99 PolarHBondContact O-N 3.27Å; D99-N102 PolarHBondContact O-N 3.46Å; D99-I103 VanDerWaalsContact O-CG1 3.28Å; D99-I103 WeakPolarHBondContact O-CG1 3.48Å; D99-I103 PolarHBondContact O-N 2.87Å
100	V	98.6	Very high	98.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-70.6	-38.7	-179.8	70.3	0	0	0	0	113.2	Y49 I96 C97 N102 I103 I104 M124 Y128	Y49-V100 HydrophobicContact CD1-CB 3.76Å; Y49-V100 HydrophobicContact CD1-CG1 4.47Å; Y49-V100 HydrophobicContact CD1-CG2 4.13Å; Y49-V100 HydrophobicContact CD2-CB 4.09Å; Y49-V100 HydrophobicContact CD2-CG2 3.59Å; Y49-V100 HydrophobicContact CE1-CB 3.58Å; Y49-V100 HydrophobicContact CE1-CG2 4.19Å; Y49-V100 HydrophobicContact CE2-CB 3.91Å; Y49-V100 HydrophobicContact CE2-CG2 3.63Å; Y49-V100 HydrophobicContact CG-CB 4.01Å; Y49-V100 HydrophobicContact CG-CG2 3.84Å; I96-V100 PolarHBondContact O-N 3.38Å; C97-V100 VanDerWaalsContact O-CG1 3.28Å; C97-V100 WeakPolarHBondContact O-CG1 3.31Å; C97-V100 PolarHBondContact O-N 3.46Å; V100-N102 VanDerWaalsContact C-N 3.3Å; V100-N102 PolarHBondContact O-N 3.44Å; V100-I103 PolarHBondContact O-N 3.26Å; V100-I104 HydrophobicContact CG2-CD1 4.02Å; V100-I104 HydrophobicContact CG2-CG1 4.44Å; V100-I104 WeakPolarHBondContact O-CB 3.5Å; V100-I104 VanDerWaalsContact O-CG1 3.27Å; V100-I104 WeakPolarHBondContact O-CG1 3.49Å; V100-I104 PolarHBondContact O-N 3.36Å; V100-M124 HydrophobicContact CG2-CE 3.55Å; V100-M124 HydrophobicContact CG2-SD 4.33Å; V100-Y128 HydrophobicContact CG1-CD1 3.37Å; V100-Y128 HydrophobicContact CG1-CD2 3.49Å; V100-Y128 VanDerWaalsContact CG1-CD2 3.49Å; V100-Y128 HydrophobicContact CG1-CE1 3.73Å; V100-Y128 HydrophobicContact CG1-CE2 3.9Å; V100-Y128 HydrophobicContact CG1-CG 3.26Å; V100-Y128 HydrophobicContact CG2-CD2 4.45Å; V100-Y128 HydrophobicContact CG2-CE2 4.34Å
101	I	98.8	Very high	97.9	Very high	9 Å²	9	45.6 Å²	45.6	5%	0.046	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-43.6	175	-70.5	163.4	0	0	0	109.8	C97 I103 I104 D105 Y129 L132	C97-I101 WeakPolarHBondContact O-CB 3.24Å; C97-I101 VanDerWaalsContact O-CD1 3.29Å; C97-I101 WeakPolarHBondContact O-CD1 3.28Å; C97-I101 WeakPolarHBondContact O-CG1 3.36Å; C97-I101 PolarHBondContact O-N 3.33Å; I101-I103 VanDerWaalsContact C-N 3.35Å; I101-I103 PolarHBondContact O-N 2.88Å; I101-I104 PolarHBondContact O-N 3.21Å; I101-D105 WeakPolarHBondContact O-CB 3.29Å; I101-D105 PolarHBondContact O-N 2.84Å; I101-Y129 HydrophobicContact CD1-CD1 3.79Å; I101-Y129 HydrophobicContact CD1-CD2 4.26Å; I101-Y129 HydrophobicContact CD1-CE1 3.68Å; I101-Y129 HydrophobicContact CD1-CE2 4.18Å; I101-Y129 HydrophobicContact CD1-CG 4.06Å; I101-Y129 HydrophobicContact CG1-CE2 4.5Å; I101-Y129 HydrophobicContact CG2-CE2 4.25Å; I101-Y129 WeakPolarHBondContact CG2-OH 3.49Å; I101-L132 HydrophobicContact CD1-CD1 4.09Å
102	N	98.5	Very high	97.4	Very high	73 Å²	73	44.1 Å²	44.1	39%	0.39	22%	0.224	S	C	.	.	H	α-helix	trans	-62.3	-40.4	176.3	-80.7	-48.3	0	0	0	112.5	C98 D99 V100 K106	C98-N102 VanDerWaalsContact O-CB 3.27Å; C98-N102 WeakPolarHBondContact O-CB 3.39Å; C98-N102 VanDerWaalsContact O-CG 3.22Å; C98-N102 PolarHBondContact O-N 3.45Å; C98-N102 PolarHBondContact O-ND2 3.48Å; D99-N102 PolarHBondContact O-N 3.46Å; V100-N102 VanDerWaalsContact C-N 3.3Å; V100-N102 PolarHBondContact O-N 3.44Å; N102-K106 VanDerWaalsContact O-CB 3.28Å; N102-K106 WeakPolarHBondContact O-CB 3.29Å; N102-K106 WeakPolarHBondContact O-CG 3.46Å; N102-K106 PolarHBondContact O-N 3.47Å
103	I	98.2	Very high	96.9	Very high	9 Å²	9	46.2 Å²	46.2	5%	0.046	25%	0.245	C	C	.	.	H	α-helix	trans	-65.2	-44.3	176.8	-69.1	-74.9	0	0	0	110.7	N28 A31 K32 D99 V100 I101 Y107 L108	N28-I103 HydrophobicContact CB-CD1 4.04Å; N28-I103 WeakPolarHBondContact OD1-CG1 3.48Å; A31-I103 HydrophobicContact CB-CG2 3.84Å; K32-I103 HydrophobicContact CG-CD1 4.41Å; D99-I103 VanDerWaalsContact O-CG1 3.28Å; D99-I103 WeakPolarHBondContact O-CG1 3.48Å; D99-I103 PolarHBondContact O-N 2.87Å; V100-I103 PolarHBondContact O-N 3.26Å; I101-I103 VanDerWaalsContact C-N 3.35Å; I101-I103 PolarHBondContact O-N 2.88Å; I103-Y107 HydrophobicContact CD1-CD2 3.96Å; I103-Y107 HydrophobicContact CD1-CE2 4.16Å; I103-Y107 PolarHBondContact O-N 3.45Å; I103-L108 HydrophobicContact CG2-CD1 3.86Å; I103-L108 HydrophobicContact CG2-CG 4.08Å; I103-L108 PolarHBondContact O-N 2.85Å
104	I	98.4	Very high	96.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.272	C	S	.	.	I	π-helix	trans	-58.5	-50.9	177.2	-72.4	165.4	0	0	0	110.8	V100 I101 L108 I109 M124 K125	V100-I104 HydrophobicContact CG2-CD1 4.02Å; V100-I104 HydrophobicContact CG2-CG1 4.44Å; V100-I104 WeakPolarHBondContact O-CB 3.5Å; V100-I104 VanDerWaalsContact O-CG1 3.27Å; V100-I104 WeakPolarHBondContact O-CG1 3.49Å; V100-I104 PolarHBondContact O-N 3.36Å; I101-I104 PolarHBondContact O-N 3.21Å; I104-L108 HydrophobicContact CG1-CD1 4.02Å; I104-L108 PolarHBondContact O-N 3.03Å; I104-I109 HydrophobicContact CG2-CD1 3.43Å; I104-I109 VanDerWaalsContact CG2-CD1 3.43Å; I104-I109 HydrophobicContact CG2-CG1 3.78Å; I104-I109 PolarHBondContact O-N 3.17Å; I104-M124 HydrophobicContact CD1-CB 4.02Å; I104-M124 HydrophobicContact CD1-CG 3.93Å; I104-M124 HydrophobicContact CD1-SD 4.1Å; I104-K125 HydrophobicContact CD1-CB 4.27Å; I104-K125 HydrophobicContact CG2-CB 4.24Å; I104-K125 HydrophobicContact CG2-CD 4.39Å
105	D	98.1	Very high	96.4	Very high	58 Å²	58	48.1 Å²	48.1	31%	0.31	27%	0.272	S	S	.	.	I	π-helix	trans	-73.2	-37.9	-172.8	-76.9	-9.2	0	0	0	113.5	I101 P110 K125	I101-D105 WeakPolarHBondContact O-CB 3.29Å; I101-D105 PolarHBondContact O-N 2.84Å; D105-P110 WeakPolarHBondContact O-CD 3.3Å; D105-P110 VanDerWaalsContact O-CG 3.31Å; D105-P110 WeakPolarHBondContact O-CG 3.37Å; D105-K125 WeakPolarHBondContact OD1-CD 3.5Å; D105-K125 VanDerWaalsContact OD1-CE 3.29Å; D105-K125 WeakPolarHBondContact OD1-CE 3.42Å; D105-K125 IonicContact OD1-NZ 3.04Å; D105-K125 PolarHBondContact OD1-NZ 2.87Å; D105-K125 WeakPolarHBondContact OD2-CE 3.43Å; D105-K125 IonicContact OD2-NZ 2.69Å; D105-K125 PolarHBondContact OD2-NZ 2.94Å
106	K	97.5	Very high	96.2	Very high	127 Å²	127	45 Å²	45	55%	0.552	26%	0.26	S	S	*	.	I	π-helix	trans	-86.1	-33.2	-174.7	-66.7	-177.9	-178.8	178.7	0	113.5	N102	N102-K106 VanDerWaalsContact O-CB 3.28Å; N102-K106 WeakPolarHBondContact O-CB 3.29Å; N102-K106 WeakPolarHBondContact O-CG 3.46Å; N102-K106 PolarHBondContact O-N 3.47Å
107	Y	97.2	Very high	96.1	Very high	68 Å²	68	44.7 Å²	44.7	27%	0.267	26%	0.26	S	S	.	.	I	π-helix	trans	-125.1	-38.2	-166.7	-53.7	-68.9	0	0	0	113.3	A31 K32 D34 I103 H111	A31-Y107 WeakPolarHBondContact O-CB 3.42Å; K32-Y107 HydrophobicContact CB-CE1 4.49Å; K32-Y107 HydrophobicContact CD-CE2 4.43Å; K32-Y107 HydrophobicContact CG-CD1 4.3Å; K32-Y107 HydrophobicContact CG-CD2 3.88Å; K32-Y107 HydrophobicContact CG-CE1 4.08Å; K32-Y107 HydrophobicContact CG-CE2 3.67Å; K32-Y107 HydrophobicContact CG-CG 4.19Å; D34-Y107 VanDerWaalsContact OD1-CD1 3.24Å; D34-Y107 WeakPolarHBondContact OD1-CD1 3.05Å; I103-Y107 HydrophobicContact CD1-CD2 3.96Å; I103-Y107 HydrophobicContact CD1-CE2 4.16Å; I103-Y107 PolarHBondContact O-N 3.45Å; Y107-H111 WeakPolarHBondContact O-CB 3.27Å; Y107-H111 PolarHBondContact O-ND1 3.19Å
108	L	97.1	Very high	96	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	27%	0.268	C	S	.	.	I	π-helix	trans	-86.8	-53.3	-172.8	-57.5	176	0	0	0	113.4	A31 L37 L45 I103 I104 H111 S112 Y121	A31-L108 HydrophobicContact CB-CD2 3.73Å; A31-L108 HydrophobicContact CB-CG 4.42Å; L37-L108 HydrophobicContact CD1-CD2 3.62Å; L37-L108 HydrophobicContact CG-CD2 3.71Å; L45-L108 HydrophobicContact CD2-CD1 3.45Å; L45-L108 VanDerWaalsContact CD2-CD1 3.45Å; I103-L108 HydrophobicContact CG2-CD1 3.86Å; I103-L108 HydrophobicContact CG2-CG 4.08Å; I103-L108 PolarHBondContact O-N 2.85Å; I104-L108 HydrophobicContact CG1-CD1 4.02Å; I104-L108 PolarHBondContact O-N 3.03Å; L108-H111 CarbonylContact O-C 3.48Å; L108-H111 PolarHBondContact O-N 3.13Å; L108-S112 WeakPolarHBondContact O-CA 3.31Å; L108-S112 WeakPolarHBondContact O-CB 3.47Å; L108-S112 PolarHBondContact O-N 3.36Å; L108-Y121 HydrophobicContact CB-CD1 4.02Å; L108-Y121 HydrophobicContact CB-CD2 3.99Å; L108-Y121 HydrophobicContact CB-CE1 3.95Å; L108-Y121 HydrophobicContact CB-CE2 3.92Å; L108-Y121 HydrophobicContact CB-CG 4.07Å; L108-Y121 HydrophobicContact CD1-CD1 3.87Å; L108-Y121 HydrophobicContact CD1-CE1 3.66Å; L108-Y121 HydrophobicContact CD2-CE1 4.35Å; L108-Y121 HydrophobicContact CG-CE1 4.21Å
109	I	97	Very high	96	Very high	31 Å²	31	43.8 Å²	43.8	16%	0.159	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-48.4	179	-74	169.5	0	0	0	111.1	I104 H111 S112 Y122	I104-I109 HydrophobicContact CG2-CD1 3.43Å; I104-I109 VanDerWaalsContact CG2-CD1 3.43Å; I104-I109 HydrophobicContact CG2-CG1 3.78Å; I104-I109 PolarHBondContact O-N 3.17Å; I109-H111 VanDerWaalsContact C-N 3.25Å; I109-H111 PolarHBondContact O-N 3.44Å; I109-S112 PolarHBondContact O-N 3.48Å; I109-S112 PolarHBondContact O-OG 2.93Å; I109-Y122 HydrophobicContact CD1-CD1 4.2Å; I109-Y122 HydrophobicContact CD1-CD2 4.26Å; I109-Y122 HydrophobicContact CD1-CE1 3.85Å; I109-Y122 HydrophobicContact CD1-CE2 3.91Å; I109-Y122 HydrophobicContact CD1-CG 4.39Å; I109-Y122 HydrophobicContact CG1-CE2 4.21Å; I109-Y122 HydrophobicContact CG2-CE2 4.24Å
110	P	95.8	Very high	96	Very high	77 Å²	77	42 Å²	42	50%	0.5	24%	0.243	S	C	.	.	H	α-helix	trans	-61.7	-30.1	-178.2	-25.9	37.1	0	0	0	114.5	D105	D105-P110 WeakPolarHBondContact O-CD 3.3Å; D105-P110 VanDerWaalsContact O-CG 3.31Å; D105-P110 WeakPolarHBondContact O-CG 3.37Å
111	H	93.2	Very high	96	Very high	72 Å²	72	42 Å²	42	33%	0.333	24%	0.243	S	C	.	.	H	α-helix	trans	-106.6	4.7	-177.9	-54.2	103.1	0	0	0	113.1	D34 Y107 L108 I109	D34-H111 PolarHBondContact O-CD2 3.38Å; D34-H111 IonicContact OD1-CE1 2.78Å; D34-H111 PolarHBondContact OD1-CE1 2.87Å; D34-H111 IonicContact OD1-ND1 2.61Å; D34-H111 PolarHBondContact OD1-ND1 3.2Å; Y107-H111 WeakPolarHBondContact O-CB 3.27Å; Y107-H111 PolarHBondContact O-ND1 3.19Å; L108-H111 CarbonylContact O-C 3.48Å; L108-H111 PolarHBondContact O-N 3.13Å; I109-H111 VanDerWaalsContact C-N 3.25Å; I109-H111 PolarHBondContact O-N 3.44Å
112	S	89.4	Confident	96	Very high	33 Å²	33	44.3 Å²	44.3	23%	0.231	25%	0.251	C	S	.	.			trans	-72.9	134.1	176	67.7	0	0	0	0	110.5	L108 I109	L108-S112 WeakPolarHBondContact O-CA 3.31Å; L108-S112 WeakPolarHBondContact O-CB 3.47Å; L108-S112 PolarHBondContact O-N 3.36Å; I109-S112 PolarHBondContact O-N 3.48Å; I109-S112 PolarHBondContact O-OG 2.93Å
113	S	86.2	Confident	96	Very high	105 Å²	105	42.7 Å²	42.7	73%	0.734	24%	0.241	S	C	*	.			trans	-114.6	136.6	169.2	61.4	0	0	0	0	109.7
114	G	91.9	Very high	96	Very high	57 Å²	57	42.6 Å²	42.6	59%	0.588	24%	0.24	S	C	*	.	S	Bend	trans	88	156.5	178.1	0	0	0	0	0	115.5	E116 S118	G114-E116 PolarHBondContact O-N 3.41Å; G114-S118 PolarHBondContact O-N 3.49Å
115	A	95.2	Very high	96	Very high	26 Å²	26	44.1 Å²	44.1	22%	0.215	25%	0.247	C	C	.	.	H	α-helix	trans	-62.9	-40.4	-178	0	0	0	0	0	112.6	S117 S118 V119 T158 D162	A115-S117 PolarHBondContact O-N 2.98Å; A115-S118 PolarHBondContact O-N 3.35Å; A115-V119 VanDerWaalsContact O-CG2 3.3Å; A115-V119 WeakPolarHBondContact O-CG2 3.39Å; A115-V119 PolarHBondContact O-N 3.14Å; A115-T158 HydrophobicContact CB-CG2 3.79Å; A115-D162 HydrophobicContact CB-CB 3.29Å
116	E	95.4	Very high	96.1	Very high	67 Å²	67	41.3 Å²	41.3	31%	0.313	23%	0.232	S	C	.	.	H	α-helix	trans	-55.7	-53.3	-177.8	-166.2	-166.4	104.6	0	0	112.1	R42 G114 V119 F120 I169	R42-E116 IonicContact CZ-OE1 2.77Å; R42-E116 VanDerWaalsContact CZ-OE1 3.24Å; R42-E116 IonicContact NH1-OE1 2.88Å; R42-E116 PolarHBondContact NH1-OE1 3.39Å; R42-E116 IonicContact NH2-OE1 3.18Å; R42-E116 PolarHBondContact NH2-OE1 3.41Å; G114-E116 PolarHBondContact O-N 3.41Å; E116-V119 PolarHBondContact O-N 2.96Å; E116-F120 WeakPolarHBondContact O-CB 3.28Å; E116-F120 PolarHBondContact O-N 3.25Å; E116-I169 HydrophobicContact CG-CD1 3.27Å
117	S	96.3	Very high	96.1	Very high	16 Å²	16	35.7 Å²	35.7	11%	0.112	21%	0.208	C	C	.	.	H	α-helix	trans	-65.5	-40.5	179.5	-67.1	0	0	0	0	111.9	R42 A115 F120 Y121	R42-S117 PolarHBondContact NH1-OG 2.98Å; R42-S117 VanDerWaalsContact NH1-OG 3.11Å; A115-S117 PolarHBondContact O-N 2.98Å; S117-F120 PolarHBondContact O-N 3.46Å; S117-Y121 WeakPolarHBondContact O-CD2 3.28Å; S117-Y121 VanDerWaalsContact O-CG 3.3Å; S117-Y121 PolarHBondContact O-N 2.99Å
118	S	96.7	Very high	96.2	Very high	25 Å²	25	32.8 Å²	32.8	18%	0.175	20%	0.197	C	C	.	.	H	α-helix	trans	-59.6	-52.5	176.3	-178.9	0	0	0	0	111.5	G114 A115 F120 Y121 Y122	G114-S118 PolarHBondContact O-N 3.49Å; A115-S118 PolarHBondContact O-N 3.35Å; S118-F120 VanDerWaalsContact C-N 3.29Å; S118-F120 PolarHBondContact O-N 3.03Å; S118-Y121 PolarHBondContact O-N 2.95Å; S118-Y122 WeakPolarHBondContact O-CD2 3.29Å; S118-Y122 PolarHBondContact O-N 3.01Å
119	V	98.3	Very high	96.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.3	-42.9	177.8	177.9	0	0	0	0	110.5	A115 E116 Y121 K123 A155 T158 A159 L163 I169 L173	A115-V119 VanDerWaalsContact O-CG2 3.3Å; A115-V119 WeakPolarHBondContact O-CG2 3.39Å; A115-V119 PolarHBondContact O-N 3.14Å; E116-V119 PolarHBondContact O-N 2.96Å; V119-Y121 PolarHBondContact O-N 3.4Å; V119-K123 WeakPolarHBondContact O-CB 3.44Å; V119-K123 PolarHBondContact O-N 2.79Å; V119-A155 HydrophobicContact CG1-CB 4.3Å; V119-T158 HydrophobicContact CG2-CG2 3.65Å; V119-A159 HydrophobicContact CG1-CB 3.89Å; V119-A159 HydrophobicContact CG2-CB 3.98Å; V119-L163 HydrophobicContact CB-CD1 4.09Å; V119-L163 HydrophobicContact CG1-CD1 4.05Å; V119-L163 HydrophobicContact CG2-CD1 3.94Å; V119-I169 HydrophobicContact CB-CG2 4.19Å; V119-I169 HydrophobicContact CG1-CG2 3.65Å; V119-L173 HydrophobicContact CG1-CD2 4.06Å
120	F	98.1	Very high	96.4	Very high	26 Å²	26	33 Å²	33	11%	0.114	20%	0.196	C	C	.	.	H	α-helix	trans	-58.5	-49.2	178.2	-170.6	-79	0	0	0	112.3	R42 E116 S117 S118 M124 I169	R42-F120 VanDerWaalsContact CD-CD1 3.42Å; R42-F120 HydrophobicContact CG-CD1 3.53Å; R42-F120 HydrophobicContact CG-CE1 3.4Å; R42-F120 HydrophobicContact CG-CE2 4.37Å; R42-F120 HydrophobicContact CG-CG 4.1Å; R42-F120 HydrophobicContact CG-CZ 3.83Å; E116-F120 WeakPolarHBondContact O-CB 3.28Å; E116-F120 PolarHBondContact O-N 3.25Å; S117-F120 PolarHBondContact O-N 3.46Å; S118-F120 VanDerWaalsContact C-N 3.29Å; S118-F120 PolarHBondContact O-N 3.03Å; F120-M124 HydrophobicContact CE1-SD 4.31Å; F120-M124 WeakPolarHBondContact O-CB 3.47Å; F120-M124 PolarHBondContact O-N 3.33Å; F120-I169 HydrophobicContact CB-CG2 4.46Å; F120-I169 HydrophobicContact CD2-CD1 4.15Å; F120-I169 HydrophobicContact CD2-CG1 4.46Å
121	Y	98.5	Very high	96.5	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-70.4	-41.6	-177.4	-62.8	-44.3	0	0	0	112.7	R42 L108 S117 S118 V119 M124 K125	R42-Y121 HydrophobicContact CG-CE1 3.67Å; L108-Y121 HydrophobicContact CB-CD1 4.02Å; L108-Y121 HydrophobicContact CB-CD2 3.99Å; L108-Y121 HydrophobicContact CB-CE1 3.95Å; L108-Y121 HydrophobicContact CB-CE2 3.92Å; L108-Y121 HydrophobicContact CB-CG 4.07Å; L108-Y121 HydrophobicContact CD1-CD1 3.87Å; L108-Y121 HydrophobicContact CD1-CE1 3.66Å; L108-Y121 HydrophobicContact CD2-CE1 4.35Å; L108-Y121 HydrophobicContact CG-CE1 4.21Å; S117-Y121 WeakPolarHBondContact O-CD2 3.28Å; S117-Y121 VanDerWaalsContact O-CG 3.3Å; S117-Y121 PolarHBondContact O-N 2.99Å; S118-Y121 PolarHBondContact O-N 2.95Å; V119-Y121 PolarHBondContact O-N 3.4Å; Y121-M124 PolarHBondContact O-N 3.08Å; Y121-K125 WeakPolarHBondContact O-CB 3.32Å; Y121-K125 PolarHBondContact O-N 2.95Å
122	Y	98.7	Very high	96.8	Very high	56 Å²	56	27.5 Å²	27.5	22%	0.22	16%	0.163	C	C	.	.	H	α-helix	trans	-68	-37.7	175.9	-83.2	-74.3	0	0	0	112.4	I109 S118 K125 G126 A151 T154	I109-Y122 HydrophobicContact CD1-CD1 4.2Å; I109-Y122 HydrophobicContact CD1-CD2 4.26Å; I109-Y122 HydrophobicContact CD1-CE1 3.85Å; I109-Y122 HydrophobicContact CD1-CE2 3.91Å; I109-Y122 HydrophobicContact CD1-CG 4.39Å; I109-Y122 HydrophobicContact CG1-CE2 4.21Å; I109-Y122 HydrophobicContact CG2-CE2 4.24Å; S118-Y122 WeakPolarHBondContact O-CD2 3.29Å; S118-Y122 PolarHBondContact O-N 3.01Å; Y122-K125 PolarHBondContact O-N 3.12Å; Y122-G126 PolarHBondContact O-N 3.03Å; Y122-A151 HydrophobicContact CD1-CB 4.46Å; Y122-T154 HydrophobicContact CD1-CG2 3.85Å; Y122-T154 HydrophobicContact CD2-CG2 3.9Å; Y122-T154 HydrophobicContact CE1-CG2 3.76Å; Y122-T154 HydrophobicContact CE2-CG2 3.83Å; Y122-T154 HydrophobicContact CG-CG2 3.92Å
123	K	98.6	Very high	97.2	Very high	39 Å²	39	26 Å²	26	17%	0.17	15%	0.152	C	C	.	.	H	α-helix	trans	-56.6	-51.3	170.1	178.6	-171.4	169	-65.8	0	110.5	V119 K125 G126 D127 G172 L173 N176	V119-K123 WeakPolarHBondContact O-CB 3.44Å; V119-K123 PolarHBondContact O-N 2.79Å; K123-K125 PolarHBondContact O-N 3.47Å; K123-G126 PolarHBondContact O-N 3.43Å; K123-D127 IonicContact NZ-OD2 2.76Å; K123-D127 PolarHBondContact NZ-OD2 3.47Å; K123-D127 PolarHBondContact O-N 3.19Å; K123-G172 WeakPolarHBondContact CE-O 3.16Å; K123-L173 HydrophobicContact CB-CD1 3.84Å; K123-L173 HydrophobicContact CD-CB 4.1Å; K123-L173 HydrophobicContact CD-CD1 4.48Å; K123-L173 HydrophobicContact CG-CB 4.32Å; K123-L173 HydrophobicContact CG-CD1 3.79Å; K123-N176 WeakPolarHBondContact CE-ND2 3.36Å; K123-N176 PolarHBondContact NZ-ND2 3.12Å
124	M	98.6	Very high	97.7	Very high	7 Å²	7	24.1 Å²	24.1	3%	0.034	13%	0.131	C	C	.	.	H	α-helix	trans	-60.3	-45.6	179.7	-167.3	177.7	-175.6	0	0	110.7	Y49 V100 I104 F120 Y121 G126 D127 Y128	Y49-M124 HydrophobicContact CD2-CE 4.23Å; Y49-M124 HydrophobicContact CG-CE 4.44Å; V100-M124 HydrophobicContact CG2-CE 3.55Å; V100-M124 HydrophobicContact CG2-SD 4.33Å; I104-M124 HydrophobicContact CD1-CB 4.02Å; I104-M124 HydrophobicContact CD1-CG 3.93Å; I104-M124 HydrophobicContact CD1-SD 4.1Å; F120-M124 HydrophobicContact CE1-SD 4.31Å; F120-M124 WeakPolarHBondContact O-CB 3.47Å; F120-M124 PolarHBondContact O-N 3.33Å; Y121-M124 PolarHBondContact O-N 3.08Å; M124-G126 VanDerWaalsContact C-N 3.34Å; M124-G126 PolarHBondContact O-N 3.25Å; M124-D127 WeakPolarHBondContact O-CB 3.37Å; M124-D127 PolarHBondContact O-N 2.68Å; M124-D127 VanDerWaalsContact O-N 3.07Å; M124-Y128 HydrophobicContact CE-CE2 3.64Å; M124-Y128 HydrophobicContact CG-CD2 3.9Å; M124-Y128 HydrophobicContact CG-CE2 3.68Å; M124-Y128 VanDerWaalsContact O-CD2 3.24Å; M124-Y128 WeakPolarHBondContact O-CD2 3.47Å; M124-Y128 PolarHBondContact O-N 3.44Å
125	K	98.8	Very high	97.9	Very high	32 Å²	32	22.6 Å²	22.6	14%	0.139	11%	0.109	C	C	.	.	H	α-helix	trans	-55.7	-46.7	174.9	-176.4	173.1	-179.5	170.1	0	112.2	I104 D105 Y121 Y122 K123 D127 Y128 Y129 A151	I104-K125 HydrophobicContact CD1-CB 4.27Å; I104-K125 HydrophobicContact CG2-CB 4.24Å; I104-K125 HydrophobicContact CG2-CD 4.39Å; D105-K125 WeakPolarHBondContact OD1-CD 3.5Å; D105-K125 VanDerWaalsContact OD1-CE 3.29Å; D105-K125 WeakPolarHBondContact OD1-CE 3.42Å; D105-K125 IonicContact OD1-NZ 3.04Å; D105-K125 PolarHBondContact OD1-NZ 2.87Å; D105-K125 WeakPolarHBondContact OD2-CE 3.43Å; D105-K125 IonicContact OD2-NZ 2.69Å; D105-K125 PolarHBondContact OD2-NZ 2.94Å; Y121-K125 WeakPolarHBondContact O-CB 3.32Å; Y121-K125 PolarHBondContact O-N 2.95Å; Y122-K125 PolarHBondContact O-N 3.12Å; K123-K125 PolarHBondContact O-N 3.47Å; K125-D127 VanDerWaalsContact C-N 3.34Å; K125-D127 PolarHBondContact O-N 3.47Å; K125-Y128 PolarHBondContact O-N 2.9Å; K125-Y129 HydrophobicContact CD-CE2 4.21Å; K125-Y129 VanDerWaalsContact CE-CE2 3.49Å; K125-Y129 HydrophobicContact CG-CD2 3.9Å; K125-Y129 HydrophobicContact CG-CE2 3.63Å; K125-Y129 VanDerWaalsContact O-CD2 3.27Å; K125-Y129 WeakPolarHBondContact O-CD2 3.5Å; K125-Y129 PolarHBondContact O-N 3.46Å; K125-Y129 VanDerWaalsContact O-N 3.08Å; K125-A151 HydrophobicContact CB-CB 4.22Å; K125-A151 HydrophobicContact CD-CB 4.35Å; K125-A151 HydrophobicContact CG-CB 4.07Å
126	G	98.8	Very high	98	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-58	-45.1	173.6	0	0	0	0	0	112.2	Y122 K123 M124 Y128 Y129 R130 S148 Y152	Y122-G126 PolarHBondContact O-N 3.03Å; K123-G126 PolarHBondContact O-N 3.43Å; M124-G126 VanDerWaalsContact C-N 3.34Å; M124-G126 PolarHBondContact O-N 3.25Å; G126-Y128 PolarHBondContact O-N 2.77Å; G126-Y129 PolarHBondContact O-N 3.02Å; G126-R130 WeakPolarHBondContact O-CB 3.33Å; G126-R130 PolarHBondContact O-N 3Å; G126-S148 PolarHBondContact O-OG 3.34Å; G126-Y152 VanDerWaalsContact C-CZ 3.44Å
127	D	98.8	Very high	98.1	Very high	9 Å²	9	24.8 Å²	24.8	5%	0.048	12%	0.121	C	C	.	.	H	α-helix	trans	-58.1	-43.8	178	-65.1	-32	0	0	0	112.8	K123 M124 K125 R130 Y131 Y152 N176	K123-D127 IonicContact NZ-OD2 2.76Å; K123-D127 PolarHBondContact NZ-OD2 3.47Å; K123-D127 PolarHBondContact O-N 3.19Å; M124-D127 WeakPolarHBondContact O-CB 3.37Å; M124-D127 PolarHBondContact O-N 2.68Å; M124-D127 VanDerWaalsContact O-N 3.07Å; K125-D127 VanDerWaalsContact C-N 3.34Å; K125-D127 PolarHBondContact O-N 3.47Å; D127-R130 WeakPolarHBondContact O-CB 3.47Å; D127-R130 PolarHBondContact O-N 2.91Å; D127-Y131 HydrophobicContact CB-CE2 4.29Å; D127-Y131 WeakPolarHBondContact O-CD1 3.24Å; D127-Y131 VanDerWaalsContact O-CD2 3.22Å; D127-Y131 WeakPolarHBondContact O-CD2 3.47Å; D127-Y131 PolarHBondContact O-N 2.86Å; D127-Y152 WeakPolarHBondContact CA-OH 3.26Å; D127-Y152 PolarHBondContact N-OH 3.38Å; D127-Y152 PolarHBondContact OD1-OH 3.31Å; D127-N176 VanDerWaalsContact OD1-CB 3.26Å; D127-N176 WeakPolarHBondContact OD1-CB 3.4Å; D127-N176 PolarHBondContact OD1-ND2 3.04Å; D127-N176 PolarHBondContact OD2-ND2 3.04Å
128	Y	98.8	Very high	98.1	Very high	7 Å²	7	26.7 Å²	26.7	3%	0.027	14%	0.143	C	C	.	.	H	α-helix	trans	-75.9	-31.7	-179	-76.6	-86	0	0	0	113.5	Y49 K50 I53 I96 C97 V100 M124 K125 G126 Y131 L132	Y49-Y128 WeakPolarHBondContact CB-OH 3.36Å; Y49-Y128 PolarHBondContact O-OH 2.86Å; K50-Y128 PolarHBondContact N-OH 3.18Å; I53-Y128 HydrophobicContact CB-CE1 3.92Å; I53-Y128 HydrophobicContact CG1-CE1 4.14Å; I53-Y128 HydrophobicContact CG2-CE1 3.79Å; I96-Y128 HydrophobicContact CG2-CE1 4.36Å; C97-Y128 HydrophobicContact CB-CD1 4.21Å; V100-Y128 HydrophobicContact CG1-CD1 3.37Å; V100-Y128 HydrophobicContact CG1-CD2 3.49Å; V100-Y128 VanDerWaalsContact CG1-CD2 3.49Å; V100-Y128 HydrophobicContact CG1-CE1 3.73Å; V100-Y128 HydrophobicContact CG1-CE2 3.9Å; V100-Y128 HydrophobicContact CG1-CG 3.26Å; V100-Y128 HydrophobicContact CG2-CD2 4.45Å; V100-Y128 HydrophobicContact CG2-CE2 4.34Å; M124-Y128 HydrophobicContact CE-CE2 3.64Å; M124-Y128 HydrophobicContact CG-CD2 3.9Å; M124-Y128 HydrophobicContact CG-CE2 3.68Å; M124-Y128 VanDerWaalsContact O-CD2 3.24Å; M124-Y128 WeakPolarHBondContact O-CD2 3.47Å; M124-Y128 PolarHBondContact O-N 3.44Å; K125-Y128 PolarHBondContact O-N 2.9Å; G126-Y128 PolarHBondContact O-N 2.77Å; Y128-Y131 AromaticContact CD1-CD2 3.79Å; Y128-Y131 HydrophobicContact CD1-CD2 3.79Å; Y128-Y131 HydrophobicContact CD1-CE2 4.27Å; Y128-Y131 HydrophobicContact CE1-CD2 4.07Å; Y128-Y131 HydrophobicContact CE1-CE2 4.21Å; Y128-Y131 HydrophobicContact CG-CD2 4.16Å; Y128-Y131 HydrophobicContact CG-CE2 4.5Å; Y128-Y131 PolarHBondContact O-N 3.46Å; Y128-L132 WeakPolarHBondContact O-CG 3.26Å; Y128-L132 PolarHBondContact O-N 3.25Å; Y128-L132 VanDerWaalsContact O-N 3.1Å
129	Y	98.9	Very high	98.2	Very high	29 Å²	29	30 Å²	30	11%	0.114	16%	0.163	C	C	.	.	H	α-helix	trans	-66.5	-39.1	167.6	-79.3	-58.2	0	0	0	112.4	I101 K125 G126 Y131 L132 A133 V144 L147	I101-Y129 HydrophobicContact CD1-CD1 3.79Å; I101-Y129 HydrophobicContact CD1-CD2 4.26Å; I101-Y129 HydrophobicContact CD1-CE1 3.68Å; I101-Y129 HydrophobicContact CD1-CE2 4.18Å; I101-Y129 HydrophobicContact CD1-CG 4.06Å; I101-Y129 HydrophobicContact CG1-CE2 4.5Å; I101-Y129 HydrophobicContact CG2-CE2 4.25Å; I101-Y129 WeakPolarHBondContact CG2-OH 3.49Å; K125-Y129 HydrophobicContact CD-CE2 4.21Å; K125-Y129 VanDerWaalsContact CE-CE2 3.49Å; K125-Y129 HydrophobicContact CG-CD2 3.9Å; K125-Y129 HydrophobicContact CG-CE2 3.63Å; K125-Y129 VanDerWaalsContact O-CD2 3.27Å; K125-Y129 WeakPolarHBondContact O-CD2 3.5Å; K125-Y129 PolarHBondContact O-N 3.46Å; K125-Y129 VanDerWaalsContact O-N 3.08Å; G126-Y129 PolarHBondContact O-N 3.02Å; Y129-Y131 VanDerWaalsContact C-N 3.31Å; Y129-Y131 PolarHBondContact O-N 3.41Å; Y129-L132 HydrophobicContact CD1-CD1 3.97Å; Y129-L132 HydrophobicContact CE1-CD1 4.45Å; Y129-L132 WeakPolarHBondContact O-CB 3.5Å; Y129-L132 PolarHBondContact O-N 3.4Å; Y129-L132 VanDerWaalsContact O-N 3.13Å; Y129-A133 PolarHBondContact O-N 3.38Å; Y129-V144 HydrophobicContact CD1-CB 4.24Å; Y129-V144 HydrophobicContact CD1-CG1 4.4Å; Y129-L147 HydrophobicContact CD1-CB 3.87Å; Y129-L147 HydrophobicContact CD1-CD1 4.17Å; Y129-L147 HydrophobicContact CD2-CB 3.83Å; Y129-L147 HydrophobicContact CE1-CB 3.87Å; Y129-L147 HydrophobicContact CE1-CD1 3.56Å; Y129-L147 HydrophobicContact CE1-CG 4.32Å; Y129-L147 HydrophobicContact CE2-CB 3.79Å; Y129-L147 HydrophobicContact CG-CB 3.88Å
130	R	98.6	Very high	98.2	Very high	9 Å²	9	34.7 Å²	34.7	3%	0.034	18%	0.184	C	C	.	.	H	α-helix	trans	-58.2	-44	172.1	175.9	172.8	71.4	90	-7.9	111.5	G126 D127 L132 A133 E134 Y152 F180 E183 I184	G126-R130 WeakPolarHBondContact O-CB 3.33Å; G126-R130 PolarHBondContact O-N 3Å; D127-R130 WeakPolarHBondContact O-CB 3.47Å; D127-R130 PolarHBondContact O-N 2.91Å; R130-L132 VanDerWaalsContact C-N 3.29Å; R130-L132 PolarHBondContact O-N 3.29Å; R130-A133 WeakPolarHBondContact O-CB 3.44Å; R130-A133 PolarHBondContact O-N 3Å; R130-E134 IonicContact NH1-OE1 3.24Å; R130-E134 PolarHBondContact O-N 2.94Å; R130-Y152 PolarHBondContact NE-OH 3.16Å; R130-F180 HydrophobicContact CB-CD2 4.15Å; R130-F180 HydrophobicContact CG-CD2 3.99Å; R130-E183 IonicContact NH1-OE2 2.79Å; R130-E183 PolarHBondContact NH1-OE2 3.41Å; R130-I184 HydrophobicContact CG-CD1 4.45Å; R130-I184 HydrophobicContact CG-CG1 3.81Å
131	Y	98.6	Very high	98.2	Very high	27 Å²	27	37.3 Å²	37.3	11%	0.106	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-34	175.7	-58.4	-31.2	0	0	0	112.9	I53 D127 Y128 Y129 E134 F135	I53-Y131 HydrophobicContact CG1-CD2 3.69Å; I53-Y131 HydrophobicContact CG1-CE2 4.25Å; I53-Y131 HydrophobicContact CG1-CG 4.24Å; I53-Y131 HydrophobicContact CG2-CD2 4.15Å; I53-Y131 HydrophobicContact CG2-CE2 3.85Å; D127-Y131 HydrophobicContact CB-CE2 4.29Å; D127-Y131 WeakPolarHBondContact O-CD1 3.24Å; D127-Y131 VanDerWaalsContact O-CD2 3.22Å; D127-Y131 WeakPolarHBondContact O-CD2 3.47Å; D127-Y131 PolarHBondContact O-N 2.86Å; Y128-Y131 AromaticContact CD1-CD2 3.79Å; Y128-Y131 HydrophobicContact CD1-CD2 3.79Å; Y128-Y131 HydrophobicContact CD1-CE2 4.27Å; Y128-Y131 HydrophobicContact CE1-CD2 4.07Å; Y128-Y131 HydrophobicContact CE1-CE2 4.21Å; Y128-Y131 HydrophobicContact CG-CD2 4.16Å; Y128-Y131 HydrophobicContact CG-CE2 4.5Å; Y128-Y131 PolarHBondContact O-N 3.46Å; Y129-Y131 VanDerWaalsContact C-N 3.31Å; Y129-Y131 PolarHBondContact O-N 3.41Å; Y131-E134 WeakPolarHBondContact CD1-OE1 3.37Å; Y131-E134 WeakPolarHBondContact O-CB 3.27Å; Y131-E134 PolarHBondContact O-N 3.09Å; Y131-F135 VanDerWaalsContact O-CD1 3.3Å; Y131-F135 WeakPolarHBondContact O-CD1 3.41Å; Y131-F135 WeakPolarHBondContact O-CE1 3.41Å
132	L	98.7	Very high	98.2	Very high	6 Å²	6	42 Å²	42	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-63.6	-42.6	170.1	-68.3	170.7	0	0	0	111.2	D94 C97 I101 Y128 Y129 R130 E134 F135 K136 V144	D94-L132 HydrophobicContact CB-CD2 4.33Å; C97-L132 HydrophobicContact CB-CD1 4.01Å; C97-L132 HydrophobicContact CB-CD2 3.65Å; C97-L132 HydrophobicContact CB-CG 3.66Å; I101-L132 HydrophobicContact CD1-CD1 4.09Å; Y128-L132 WeakPolarHBondContact O-CG 3.26Å; Y128-L132 PolarHBondContact O-N 3.25Å; Y128-L132 VanDerWaalsContact O-N 3.1Å; Y129-L132 HydrophobicContact CD1-CD1 3.97Å; Y129-L132 HydrophobicContact CE1-CD1 4.45Å; Y129-L132 WeakPolarHBondContact O-CB 3.5Å; Y129-L132 PolarHBondContact O-N 3.4Å; Y129-L132 VanDerWaalsContact O-N 3.13Å; R130-L132 VanDerWaalsContact C-N 3.29Å; R130-L132 PolarHBondContact O-N 3.29Å; L132-E134 PolarHBondContact O-N 3.45Å; L132-E134 VanDerWaalsContact O-N 3.14Å; L132-F135 HydrophobicContact CD2-CE1 4.12Å; L132-F135 HydrophobicContact CD2-CZ 3.68Å; L132-F135 PolarHBondContact O-N 3.5Å; L132-K136 HydrophobicContact CB-CG 4.36Å; L132-K136 WeakPolarHBondContact O-CB 3.45Å; L132-K136 WeakPolarHBondContact O-CG 3.43Å; L132-K136 PolarHBondContact O-N 2.97Å; L132-V144 HydrophobicContact CB-CB 4.16Å; L132-V144 HydrophobicContact CB-CG1 4.15Å; L132-V144 HydrophobicContact CB-CG2 4.11Å; L132-V144 HydrophobicContact CD1-CG1 4.23Å
133	A	98.4	Very high	98.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.6	-19.8	179.8	0	0	0	0	0	114.1	Y129 R130 F135 K141 V144 I184	Y129-A133 PolarHBondContact O-N 3.38Å; R130-A133 WeakPolarHBondContact O-CB 3.44Å; R130-A133 PolarHBondContact O-N 3Å; A133-F135 VanDerWaalsContact C-N 3.32Å; A133-F135 PolarHBondContact O-N 3.38Å; A133-K141 WeakPolarHBondContact O-CE 3.32Å; A133-V144 HydrophobicContact CB-CG2 3.83Å; A133-I184 HydrophobicContact CB-CD1 4.05Å; A133-I184 HydrophobicContact CB-CG1 4.24Å; A133-I184 HydrophobicContact CB-CG2 3.71Å
134	E	96.7	Very high	98.2	Very high	67 Å²	67	43.2 Å²	43.2	31%	0.313	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-31.5	177.6	-67.6	177.8	-171.9	0	0	112.9	R57 R130 Y131 L132 I184	R57-E134 IonicContact CZ-OE1 3.82Å; R57-E134 IonicContact CZ-OE2 3.31Å; R57-E134 IonicContact NE-OE1 3.56Å; R57-E134 PolarHBondContact NE-OE1 3.2Å; R57-E134 IonicContact NE-OE2 2.87Å; R57-E134 PolarHBondContact NE-OE2 3.04Å; R57-E134 IonicContact NH2-OE1 3.41Å; R57-E134 PolarHBondContact NH2-OE1 2.99Å; R57-E134 IonicContact NH2-OE2 2.65Å; R57-E134 PolarHBondContact NH2-OE2 3.35Å; R130-E134 IonicContact NH1-OE1 3.24Å; R130-E134 PolarHBondContact O-N 2.94Å; Y131-E134 WeakPolarHBondContact CD1-OE1 3.37Å; Y131-E134 WeakPolarHBondContact O-CB 3.27Å; Y131-E134 PolarHBondContact O-N 3.09Å; L132-E134 PolarHBondContact O-N 3.45Å; L132-E134 VanDerWaalsContact O-N 3.14Å; E134-I184 HydrophobicContact CG-CD1 4.12Å
135	F	95.8	Very high	98.2	Very high	25 Å²	25	43.5 Å²	43.5	11%	0.11	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127	-18	-174.4	67.3	-91.5	0	0	0	114.5	M60 E90 M93 D94 Y131 L132 A133	M60-F135 HydrophobicContact CE-CB 4.38Å; E90-F135 HydrophobicContact CB-CD2 3.81Å; E90-F135 HydrophobicContact CB-CE2 4.06Å; E90-F135 HydrophobicContact CB-CG 4.44Å; E90-F135 HydrophobicContact CG-CB 4.06Å; E90-F135 HydrophobicContact CG-CD2 3.82Å; E90-F135 HydrophobicContact CG-CG 4.07Å; M93-F135 HydrophobicContact CB-CE1 3.96Å; M93-F135 HydrophobicContact CB-CZ 4.21Å; M93-F135 HydrophobicContact CE-CD1 3.98Å; M93-F135 HydrophobicContact CE-CE1 3.99Å; D94-F135 HydrophobicContact CB-CE2 4.28Å; D94-F135 HydrophobicContact CB-CZ 3.98Å; Y131-F135 VanDerWaalsContact O-CD1 3.3Å; Y131-F135 WeakPolarHBondContact O-CD1 3.41Å; Y131-F135 WeakPolarHBondContact O-CE1 3.41Å; L132-F135 HydrophobicContact CD2-CE1 4.12Å; L132-F135 HydrophobicContact CD2-CZ 3.68Å; L132-F135 PolarHBondContact O-N 3.5Å; A133-F135 VanDerWaalsContact C-N 3.32Å; A133-F135 PolarHBondContact O-N 3.38Å
136	K	97.9	Very high	98.2	Very high	35 Å²	35	48 Å²	48	15%	0.152	25%	0.253	C	S	.	.			trans	-64	154.7	171.2	-69.1	-68.5	-172.2	171.3	0	110.8	D94 L132 E140 K141 V144	D94-K136 WeakPolarHBondContact OD2-CE 3.38Å; D94-K136 IonicContact OD2-NZ 3.03Å; D94-K136 PolarHBondContact OD2-NZ 3.46Å; L132-K136 HydrophobicContact CB-CG 4.36Å; L132-K136 WeakPolarHBondContact O-CB 3.45Å; L132-K136 WeakPolarHBondContact O-CG 3.43Å; L132-K136 PolarHBondContact O-N 2.97Å; K136-E140 HydrophobicContact CB-CB 4.19Å; K136-E140 HydrophobicContact CD-CB 4.09Å; K136-E140 HydrophobicContact CG-CB 4.46Å; K136-E140 IonicContact NZ-OE1 2.93Å; K136-E140 PolarHBondContact NZ-OE1 3.43Å; K136-E140 IonicContact NZ-OE2 2.68Å; K136-K141 HydrophobicContact CB-CB 4.34Å; K136-V144 HydrophobicContact CB-CG2 4.4Å
137	T	96.9	Very high	98.2	Very high	104 Å²	104	51.5 Å²	51.5	64%	0.638	27%	0.272	S	S	*	.			trans	-133.8	164	-176.9	64	0	0	0	0	111.6	T139 E140 K141	T137-T139 PolarHBondContact O-N 3.37Å; T137-E140 PolarHBondContact O-N 3.38Å; T137-K141 PolarHBondContact O-N 3.38Å
138	G	97.1	Very high	98.2	Very high	55 Å²	55	51.1 Å²	51.1	57%	0.567	27%	0.27	S	S	*	.	H	α-helix	trans	55.7	-135.6	177.5	0	0	0	0	0	113.1	E140 K141 I142	G138-E140 VanDerWaalsContact C-N 3.34Å; G138-E140 PolarHBondContact O-N 3.07Å; G138-K141 PolarHBondContact O-N 3.06Å; G138-I142 PolarHBondContact O-N 3.35Å
139	T	98.2	Very high	98.1	Very high	96 Å²	96	52.6 Å²	52.6	59%	0.589	28%	0.278	S	S	*	.	H	α-helix	trans	-60.7	-40.1	-178.8	-51.3	0	0	0	0	112.6	T137 K141 I142 E143	T137-T139 PolarHBondContact O-N 3.37Å; T139-K141 VanDerWaalsContact C-N 3.26Å; T139-K141 PolarHBondContact O-N 2.88Å; T139-I142 WeakPolarHBondContact O-CB 3.16Å; T139-I142 PolarHBondContact O-N 3.08Å; T139-I142 VanDerWaalsContact O-N 3.09Å; T139-E143 HydrophobicContact CG2-CG 4.3Å; T139-E143 WeakPolarHBondContact CG2-OE1 3.34Å; T139-E143 WeakPolarHBondContact O-CG 3.12Å; T139-E143 PolarHBondContact O-N 2.64Å
140	E	98	Very high	98.1	Very high	97 Å²	97	55.7 Å²	55.7	45%	0.453	30%	0.296	S	S	.	.	H	α-helix	trans	-59.4	-40.2	179.1	-67.1	-175.9	111.2	0	0	111.2	K136 T137 G138 I142 E143 V144	K136-E140 HydrophobicContact CB-CB 4.19Å; K136-E140 HydrophobicContact CD-CB 4.09Å; K136-E140 HydrophobicContact CG-CB 4.46Å; K136-E140 IonicContact NZ-OE1 2.93Å; K136-E140 PolarHBondContact NZ-OE1 3.43Å; K136-E140 IonicContact NZ-OE2 2.68Å; T137-E140 PolarHBondContact O-N 3.38Å; G138-E140 VanDerWaalsContact C-N 3.34Å; G138-E140 PolarHBondContact O-N 3.07Å; E140-I142 VanDerWaalsContact C-N 3.33Å; E140-I142 PolarHBondContact O-N 3.4Å; E140-E143 PolarHBondContact O-N 3.13Å; E140-V144 WeakPolarHBondContact O-CG2 3.25Å; E140-V144 PolarHBondContact O-N 3.1Å
141	K	98.4	Very high	98.1	Very high	81 Å²	81	55.4 Å²	55.4	35%	0.352	30%	0.296	S	S	.	.	H	α-helix	trans	-61.6	-42.4	177.3	-174.1	172.7	179	170.6	0	111.5	A133 K136 T137 G138 T139 V144 S145	A133-K141 WeakPolarHBondContact O-CE 3.32Å; K136-K141 HydrophobicContact CB-CB 4.34Å; T137-K141 PolarHBondContact O-N 3.38Å; G138-K141 PolarHBondContact O-N 3.06Å; T139-K141 VanDerWaalsContact C-N 3.26Å; T139-K141 PolarHBondContact O-N 2.88Å; K141-V144 WeakPolarHBondContact O-CG2 3.26Å; K141-S145 VanDerWaalsContact O-CB 3.27Å; K141-S145 WeakPolarHBondContact O-CB 3.44Å; K141-S145 PolarHBondContact O-N 2.96Å; K141-S145 PolarHBondContact O-OG 2.94Å
142	I	98.4	Very high	98.2	Very high	100 Å²	100	54.2 Å²	54.2	51%	0.513	29%	0.291	S	S	.	.	H	α-helix	trans	-63.4	-50.6	179.5	-63	170.2	0	0	0	109.3	G138 T139 E140 V144 S145 E146	G138-I142 PolarHBondContact O-N 3.35Å; T139-I142 WeakPolarHBondContact O-CB 3.16Å; T139-I142 PolarHBondContact O-N 3.08Å; T139-I142 VanDerWaalsContact O-N 3.09Å; E140-I142 VanDerWaalsContact C-N 3.33Å; E140-I142 PolarHBondContact O-N 3.4Å; I142-V144 PolarHBondContact O-N 3.28Å; I142-S145 PolarHBondContact O-N 3.3Å; I142-E146 WeakPolarHBondContact O-CG 3.47Å; I142-E146 PolarHBondContact O-N 3.22Å
143	E	98.5	Very high	98.2	Very high	106 Å²	106	58.9 Å²	58.9	50%	0.495	31%	0.313	S	S	.	.	H	α-helix	trans	-58.1	-49.8	-179.5	-69.8	174.3	-178.3	0	0	112.3	T139 E140 S145 E146 L147	T139-E143 HydrophobicContact CG2-CG 4.3Å; T139-E143 WeakPolarHBondContact CG2-OE1 3.34Å; T139-E143 WeakPolarHBondContact O-CG 3.12Å; T139-E143 PolarHBondContact O-N 2.64Å; E140-E143 PolarHBondContact O-N 3.13Å; E143-S145 VanDerWaalsContact C-N 3.3Å; E143-S145 PolarHBondContact O-N 3.03Å; E143-E146 PolarHBondContact O-N 3.31Å; E143-L147 VanDerWaalsContact O-CG 3.3Å; E143-L147 WeakPolarHBondContact O-CG 3.33Å; E143-L147 PolarHBondContact O-N 2.65Å
144	V	98.7	Very high	98.1	Very high	16 Å²	16	61 Å²	61	10%	0.097	33%	0.326	C	S	.	.	H	α-helix	trans	-69.2	-29.3	179.7	-58.5	0	0	0	0	112.4	Y129 L132 A133 K136 E140 K141 I142 S148	Y129-V144 HydrophobicContact CD1-CB 4.24Å; Y129-V144 HydrophobicContact CD1-CG1 4.4Å; L132-V144 HydrophobicContact CB-CB 4.16Å; L132-V144 HydrophobicContact CB-CG1 4.15Å; L132-V144 HydrophobicContact CB-CG2 4.11Å; L132-V144 HydrophobicContact CD1-CG1 4.23Å; A133-V144 HydrophobicContact CB-CG2 3.83Å; K136-V144 HydrophobicContact CB-CG2 4.4Å; E140-V144 WeakPolarHBondContact O-CG2 3.25Å; E140-V144 PolarHBondContact O-N 3.1Å; K141-V144 WeakPolarHBondContact O-CG2 3.26Å; I142-V144 PolarHBondContact O-N 3.28Å; V144-S148 WeakPolarHBondContact O-CB 3.38Å; V144-S148 PolarHBondContact O-N 3.43Å
145	S	98.6	Very high	98.2	Very high	13 Å²	13	57.9 Å²	57.9	9%	0.091	31%	0.311	C	S	.	.	H	α-helix	trans	-68.4	-41.1	174.8	-58.3	0	0	0	0	111.4	K141 I142 E143 S148 L149 F180 I184	K141-S145 VanDerWaalsContact O-CB 3.27Å; K141-S145 WeakPolarHBondContact O-CB 3.44Å; K141-S145 PolarHBondContact O-N 2.96Å; K141-S145 PolarHBondContact O-OG 2.94Å; I142-S145 PolarHBondContact O-N 3.3Å; E143-S145 VanDerWaalsContact C-N 3.3Å; E143-S145 PolarHBondContact O-N 3.03Å; S145-S148 WeakPolarHBondContact O-CB 3.37Å; S145-S148 PolarHBondContact O-N 3.08Å; S145-L149 WeakPolarHBondContact O-CB 3.43Å; S145-L149 PolarHBondContact O-N 3.22Å; S145-F180 WeakPolarHBondContact O-CZ 3.42Å; S145-I184 WeakPolarHBondContact OG-CG2 3.45Å
146	E	98.6	Very high	98.4	Very high	125 Å²	125	57.8 Å²	57.8	58%	0.584	31%	0.314	S	S	*	.	H	α-helix	trans	-64.7	-42.4	174.5	-71.6	177.7	171.6	0	0	111.7	I142 E143 S148 L149 N150	I142-E146 WeakPolarHBondContact O-CG 3.47Å; I142-E146 PolarHBondContact O-N 3.22Å; E143-E146 PolarHBondContact O-N 3.31Å; E146-S148 VanDerWaalsContact C-N 3.34Å; E146-S148 PolarHBondContact O-N 2.78Å; E146-L149 PolarHBondContact O-N 3.39Å; E146-N150 WeakPolarHBondContact O-CB 3.34Å; E146-N150 PolarHBondContact O-N 3.14Å
147	L	98.8	Very high	98.4	Very high	75 Å²	75	63.6 Å²	63.6	39%	0.393	34%	0.339	S	S	.	.	H	α-helix	trans	-63.2	-40.3	175	-70	169.3	0	0	0	112	Y129 E143 A151	Y129-L147 HydrophobicContact CD1-CB 3.87Å; Y129-L147 HydrophobicContact CD1-CD1 4.17Å; Y129-L147 HydrophobicContact CD2-CB 3.83Å; Y129-L147 HydrophobicContact CE1-CB 3.87Å; Y129-L147 HydrophobicContact CE1-CD1 3.56Å; Y129-L147 HydrophobicContact CE1-CG 4.32Å; Y129-L147 HydrophobicContact CE2-CB 3.79Å; Y129-L147 HydrophobicContact CG-CB 3.88Å; E143-L147 VanDerWaalsContact O-CG 3.3Å; E143-L147 WeakPolarHBondContact O-CG 3.33Å; E143-L147 PolarHBondContact O-N 2.65Å; L147-A151 WeakPolarHBondContact O-CB 3.14Å; L147-A151 PolarHBondContact O-N 3.11Å; L147-A151 VanDerWaalsContact O-N 3.09Å
148	S	98.8	Very high	98.4	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.3	-49.3	173.2	-173.2	0	0	0	0	111.3	G126 V144 S145 E146 A151 Y152 F180	G126-S148 PolarHBondContact O-OG 3.34Å; V144-S148 WeakPolarHBondContact O-CB 3.38Å; V144-S148 PolarHBondContact O-N 3.43Å; S145-S148 WeakPolarHBondContact O-CB 3.37Å; S145-S148 PolarHBondContact O-N 3.08Å; E146-S148 VanDerWaalsContact C-N 3.34Å; E146-S148 PolarHBondContact O-N 2.78Å; S148-A151 PolarHBondContact O-N 2.87Å; S148-Y152 WeakPolarHBondContact O-CD2 3.22Å; S148-Y152 PolarHBondContact O-N 2.81Å; S148-Y152 WeakPolarHBondContact OG-CE2 3.34Å; S148-F180 WeakPolarHBondContact OG-CE2 3.46Å
149	L	98.6	Very high	98.5	Very high	39 Å²	39	57.6 Å²	57.6	20%	0.204	29%	0.292	C	S	.	.	H	α-helix	trans	-61.9	-46.4	-179.2	179	59.6	0	0	0	111.4	S145 E146 A151 Y152 E153 F180 Y181	S145-L149 WeakPolarHBondContact O-CB 3.43Å; S145-L149 PolarHBondContact O-N 3.22Å; E146-L149 PolarHBondContact O-N 3.39Å; L149-A151 PolarHBondContact O-N 3.29Å; L149-Y152 PolarHBondContact O-N 2.97Å; L149-E153 HydrophobicContact CD1-CG 4.04Å; L149-E153 HydrophobicContact CG-CG 4.35Å; L149-E153 WeakPolarHBondContact O-CG 3.25Å; L149-E153 PolarHBondContact O-N 3.49Å; L149-F180 HydrophobicContact CB-CE1 4.06Å; L149-F180 HydrophobicContact CB-CZ 4.19Å; L149-F180 HydrophobicContact CD1-CE1 4.17Å; L149-Y181 HydrophobicContact CD1-CE1 4.5Å; L149-Y181 WeakPolarHBondContact CD1-OH 3.49Å
150	N	98.7	Very high	98.4	Very high	93 Å²	93	59.3 Å²	59.3	50%	0.497	29%	0.293	S	S	.	.	H	α-helix	trans	-60.4	-44.1	179	-176.1	-8.1	0	0	0	112.1	E146 Y152 E153 T154	E146-N150 WeakPolarHBondContact O-CB 3.34Å; E146-N150 PolarHBondContact O-N 3.14Å; N150-Y152 VanDerWaalsContact C-N 3.34Å; N150-Y152 PolarHBondContact O-N 2.96Å; N150-E153 PolarHBondContact O-N 3.29Å; N150-T154 WeakPolarHBondContact O-CB 3.35Å; N150-T154 PolarHBondContact O-N 2.6Å; N150-T154 PolarHBondContact O-OG1 2.93Å
151	A	98.8	Very high	98.3	Very high	4 Å²	4	59.5 Å²	59.5	3%	0.033	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-43.4	175.9	0	0	0	0	0	111.7	Y122 K125 L147 S148 L149 T154 A155	Y122-A151 HydrophobicContact CD1-CB 4.46Å; K125-A151 HydrophobicContact CB-CB 4.22Å; K125-A151 HydrophobicContact CD-CB 4.35Å; K125-A151 HydrophobicContact CG-CB 4.07Å; L147-A151 WeakPolarHBondContact O-CB 3.14Å; L147-A151 PolarHBondContact O-N 3.11Å; L147-A151 VanDerWaalsContact O-N 3.09Å; S148-A151 PolarHBondContact O-N 2.87Å; L149-A151 PolarHBondContact O-N 3.29Å; A151-T154 PolarHBondContact O-N 3.32Å; A151-A155 PolarHBondContact O-N 2.85Å
152	Y	98.8	Very high	98.3	Very high	1 Å²	1	60.5 Å²	60.5	0%	0.004	31%	0.31	C	S	.	.	H	α-helix	trans	-66.4	-38.8	176.5	-75.5	-40.2	0	0	0	113.9	G126 D127 R130 S148 L149 N150 A155 S156 L173 N176 I177 F180	G126-Y152 VanDerWaalsContact C-CZ 3.44Å; D127-Y152 WeakPolarHBondContact CA-OH 3.26Å; D127-Y152 PolarHBondContact N-OH 3.38Å; D127-Y152 PolarHBondContact OD1-OH 3.31Å; R130-Y152 PolarHBondContact NE-OH 3.16Å; S148-Y152 WeakPolarHBondContact O-CD2 3.22Å; S148-Y152 PolarHBondContact O-N 2.81Å; S148-Y152 WeakPolarHBondContact OG-CE2 3.34Å; L149-Y152 PolarHBondContact O-N 2.97Å; N150-Y152 VanDerWaalsContact C-N 3.34Å; N150-Y152 PolarHBondContact O-N 2.96Å; Y152-A155 PolarHBondContact O-N 3.1Å; Y152-S156 VanDerWaalsContact O-CB 3.3Å; Y152-S156 WeakPolarHBondContact O-CB 3.45Å; Y152-S156 PolarHBondContact O-N 3.15Å; Y152-S156 PolarHBondContact O-OG 2.9Å; Y152-L173 HydrophobicContact CD1-CD1 3.81Å; Y152-L173 HydrophobicContact CE1-CD1 4.4Å; Y152-N176 HydrophobicContact CE1-CB 4.41Å; Y152-I177 HydrophobicContact CD1-CD1 4.25Å; Y152-I177 HydrophobicContact CD1-CG1 3.58Å; Y152-I177 HydrophobicContact CD2-CG1 4.04Å; Y152-I177 HydrophobicContact CE1-CG1 4.15Å; Y152-I177 HydrophobicContact CG-CD1 4.15Å; Y152-I177 HydrophobicContact CG-CG1 3.52Å; Y152-F180 HydrophobicContact CD2-CB 4.35Å; Y152-F180 HydrophobicContact CD2-CD1 4.23Å; Y152-F180 HydrophobicContact CD2-CG 4.17Å; Y152-F180 HydrophobicContact CE2-CB 3.73Å; Y152-F180 HydrophobicContact CE2-CD1 4.34Å; Y152-F180 HydrophobicContact CE2-CD2 4.16Å; Y152-F180 AromaticContact CE2-CG 3.82Å; Y152-F180 HydrophobicContact CE2-CG 3.82Å
153	E	98.5	Very high	98.2	Very high	104 Å²	104	56.8 Å²	56.8	49%	0.486	29%	0.291	S	S	.	.	H	α-helix	trans	-66.6	-41.1	176.5	-75	-179.9	165.3	0	0	111.3	L149 N150 S156 K157	L149-E153 HydrophobicContact CD1-CG 4.04Å; L149-E153 HydrophobicContact CG-CG 4.35Å; L149-E153 WeakPolarHBondContact O-CG 3.25Å; L149-E153 PolarHBondContact O-N 3.49Å; N150-E153 PolarHBondContact O-N 3.29Å; E153-S156 PolarHBondContact O-N 3.47Å; E153-K157 WeakPolarHBondContact O-CB 3.35Å; E153-K157 PolarHBondContact O-N 2.98Å
154	T	98.2	Very high	98.1	Very high	46 Å²	46	55.1 Å²	55.1	28%	0.282	29%	0.289	S	S	.	.	H	α-helix	trans	-60.2	-49.2	174	-60.3	0	0	0	0	110.9	Y122 N150 A151 S156 K157 T158	Y122-T154 HydrophobicContact CD1-CG2 3.85Å; Y122-T154 HydrophobicContact CD2-CG2 3.9Å; Y122-T154 HydrophobicContact CE1-CG2 3.76Å; Y122-T154 HydrophobicContact CE2-CG2 3.83Å; Y122-T154 HydrophobicContact CG-CG2 3.92Å; N150-T154 WeakPolarHBondContact O-CB 3.35Å; N150-T154 PolarHBondContact O-N 2.6Å; N150-T154 PolarHBondContact O-OG1 2.93Å; A151-T154 PolarHBondContact O-N 3.32Å; T154-S156 VanDerWaalsContact C-N 3.34Å; T154-S156 PolarHBondContact O-N 3.48Å; T154-K157 PolarHBondContact O-N 3.45Å; T154-T158 PolarHBondContact O-N 3.47Å
155	A	98.6	Very high	98.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.4	-42.8	175.6	0	0	0	0	0	112	V119 A151 Y152 K157 T158 A159 L173	V119-A155 HydrophobicContact CG1-CB 4.3Å; A151-A155 PolarHBondContact O-N 2.85Å; Y152-A155 PolarHBondContact O-N 3.1Å; A155-K157 PolarHBondContact O-N 3.12Å; A155-T158 PolarHBondContact O-N 3.46Å; A155-A159 VanDerWaalsContact O-CB 3.24Å; A155-A159 WeakPolarHBondContact O-CB 3.41Å; A155-A159 PolarHBondContact O-N 3.44Å; A155-L173 HydrophobicContact CB-CD1 3.75Å; A155-L173 HydrophobicContact CB-CD2 3.66Å; A155-L173 HydrophobicContact CB-CG 4.38Å
156	S	98.5	Very high	98	Very high	24 Å²	24	54.8 Å²	54.8	17%	0.168	29%	0.286	C	S	.	.	H	α-helix	trans	-65.6	-40.8	-176.7	-62.9	0	0	0	0	111.8	Y152 E153 T154 A159 Q160 I177	Y152-S156 VanDerWaalsContact O-CB 3.3Å; Y152-S156 WeakPolarHBondContact O-CB 3.45Å; Y152-S156 PolarHBondContact O-N 3.15Å; Y152-S156 PolarHBondContact O-OG 2.9Å; E153-S156 PolarHBondContact O-N 3.47Å; T154-S156 VanDerWaalsContact C-N 3.34Å; T154-S156 PolarHBondContact O-N 3.48Å; S156-A159 PolarHBondContact O-N 3.18Å; S156-Q160 WeakPolarHBondContact O-CB 3.42Å; S156-Q160 WeakPolarHBondContact O-CG 3.32Å; S156-Q160 PolarHBondContact O-N 3.14Å; S156-I177 WeakPolarHBondContact OG-CD1 3.42Å
157	K	98.1	Very high	97.9	Very high	157 Å²	157	49.7 Å²	49.7	68%	0.683	26%	0.263	S	S	*	.	H	α-helix	trans	-59.5	-49.9	177.6	-177.1	179.8	177.6	-178	0	111.3	E153 T154 A155 T161	E153-K157 WeakPolarHBondContact O-CB 3.35Å; E153-K157 PolarHBondContact O-N 2.98Å; T154-K157 PolarHBondContact O-N 3.45Å; A155-K157 PolarHBondContact O-N 3.12Å; K157-T161 PolarHBondContact O-N 3.33Å; K157-T161 PolarHBondContact O-OG1 3.02Å; K157-T161 VanDerWaalsContact O-OG1 3.13Å
158	T	98	Very high	97.8	Very high	31 Å²	31	47 Å²	47	19%	0.19	25%	0.25	C	C	.	.	H	α-helix	trans	-67.8	-38.8	178.1	-58.9	0	0	0	0	111.9	A115 V119 T154 A155 Q160 T161 D162	A115-T158 HydrophobicContact CB-CG2 3.79Å; V119-T158 HydrophobicContact CG2-CG2 3.65Å; T154-T158 PolarHBondContact O-N 3.47Å; A155-T158 PolarHBondContact O-N 3.46Å; T158-Q160 VanDerWaalsContact C-N 3.35Å; T158-Q160 PolarHBondContact O-N 3.22Å; T158-T161 WeakPolarHBondContact CA-OG1 3.18Å; T158-T161 PolarHBondContact O-N 2.94Å; T158-T161 PolarHBondContact O-OG1 3.43Å; T158-D162 WeakPolarHBondContact O-CB 3.44Å; T158-D162 PolarHBondContact O-N 2.83Å
159	A	98.3	Very high	97.7	Very high	2 Å²	2	48 Å²	48	2%	0.017	26%	0.255	C	S	.	.	H	α-helix	trans	-64.9	-38.3	178.4	0	0	0	0	0	112.5	V119 A155 S156 T161 L163 R170 L173	V119-A159 HydrophobicContact CG1-CB 3.89Å; V119-A159 HydrophobicContact CG2-CB 3.98Å; A155-A159 VanDerWaalsContact O-CB 3.24Å; A155-A159 WeakPolarHBondContact O-CB 3.41Å; A155-A159 PolarHBondContact O-N 3.44Å; S156-A159 PolarHBondContact O-N 3.18Å; A159-T161 VanDerWaalsContact C-N 3.33Å; A159-L163 HydrophobicContact CB-CD1 4.11Å; A159-L163 WeakPolarHBondContact O-CB 3.37Å; A159-L163 PolarHBondContact O-N 3.21Å; A159-L163 VanDerWaalsContact O-N 3.1Å; A159-L163 VanDerWaalsContact O-O 3.05Å; A159-R170 HydrophobicContact CB-CB 4.31Å; A159-R170 HydrophobicContact CB-CG 4.15Å; A159-L173 HydrophobicContact CB-CD2 3.97Å
160	Q	97	Very high	97.7	Very high	132 Å²	132	48 Å²	48	62%	0.617	25%	0.252	S	S	*	.	H	α-helix	trans	-68.2	-32.3	178.1	-74.8	170	22.5	0	0	112.7	S156 T158	S156-Q160 WeakPolarHBondContact O-CB 3.42Å; S156-Q160 WeakPolarHBondContact O-CG 3.32Å; S156-Q160 PolarHBondContact O-N 3.14Å; T158-Q160 VanDerWaalsContact C-N 3.35Å; T158-Q160 PolarHBondContact O-N 3.22Å
161	T	96.4	Very high	97.7	Very high	101 Å²	101	43.7 Å²	43.7	62%	0.62	23%	0.229	S	C	*	.	H	α-helix	trans	-84	-39.5	-179	47.8	0	0	0	0	113.1	K157 T158 A159	K157-T161 PolarHBondContact O-N 3.33Å; K157-T161 PolarHBondContact O-OG1 3.02Å; K157-T161 VanDerWaalsContact O-OG1 3.13Å; T158-T161 WeakPolarHBondContact CA-OG1 3.18Å; T158-T161 PolarHBondContact O-N 2.94Å; T158-T161 PolarHBondContact O-OG1 3.43Å; A159-T161 VanDerWaalsContact C-N 3.33Å
162	D	97.4	Very high	97.7	Very high	101 Å²	101	43.9 Å²	43.9	54%	0.54	23%	0.232	S	C	.	.	H	α-helix	trans	-117.3	-10.7	-163.1	-58.6	-68.4	0	0	0	114.3	A115 T158	A115-D162 HydrophobicContact CB-CB 3.29Å; T158-D162 WeakPolarHBondContact O-CB 3.44Å; T158-D162 PolarHBondContact O-N 2.83Å
163	L	96.8	Very high	97.7	Very high	22 Å²	22	44 Å²	44	12%	0.115	23%	0.233	C	C	.	.	S	Bend	trans	-119.1	139.8	-179.7	-53.8	179.8	0	0	0	111.2	V119 A159 D167 I169 R170	V119-L163 HydrophobicContact CB-CD1 4.09Å; V119-L163 HydrophobicContact CG1-CD1 4.05Å; V119-L163 HydrophobicContact CG2-CD1 3.94Å; A159-L163 HydrophobicContact CB-CD1 4.11Å; A159-L163 WeakPolarHBondContact O-CB 3.37Å; A159-L163 PolarHBondContact O-N 3.21Å; A159-L163 VanDerWaalsContact O-N 3.1Å; A159-L163 VanDerWaalsContact O-O 3.05Å; L163-D167 HydrophobicContact CB-CB 4.01Å; L163-I169 HydrophobicContact CD1-CB 4.41Å; L163-R170 HydrophobicContact CB-CB 4.18Å; L163-R170 HydrophobicContact CD1-CB 4.32Å; L163-R170 PolarHBondContact O-NH1 2.94Å
164	T	96.6	Very high	97.7	Very high	72 Å²	72	39.6 Å²	39.6	44%	0.442	21%	0.214	S	C	.	.			trans	-67.2	150.5	176.6	61.3	0	0	0	0	110.7	T166 D167 R170	T164-T166 PolarHBondContact O-N 2.95Å; T164-T166 PolarHBondContact OG1-OG1 2.91Å; T164-D167 WeakPolarHBondContact O-CB 3.48Å; T164-D167 PolarHBondContact O-N 2.74Å; T164-D167 PolarHBondContact OG1-N 3.19Å; T164-R170 WeakPolarHBondContact O-CD 3.35Å
165	P	97.3	Very high	97.7	Very high	16 Å²	16	38.3 Å²	38.3	10%	0.104	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-28.8	171.8	-33.7	36.6	0	0	0	115.9	L171 E201 E205	P165-L171 WeakPolarHBondContact O-CG 3.35Å; P165-E201 HydrophobicContact CB-CB 3.94Å; P165-E201 HydrophobicContact CG-CB 4.33Å; P165-E205 WeakPolarHBondContact CD-OE1 3.27Å; P165-E205 WeakPolarHBondContact CD-OE2 3.46Å; P165-E205 HydrophobicContact CG-CG 4.43Å; P165-E205 WeakPolarHBondContact CG-OE1 3.43Å
166	T	96.9	Very high	97.7	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.031	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-0.9	178.1	52.8	0	0	0	0	114.1	T164 A202 E205 S217	T164-T166 PolarHBondContact O-N 2.95Å; T164-T166 PolarHBondContact OG1-OG1 2.91Å; T166-A202 HydrophobicContact CG2-CB 4.41Å; T166-A202 WeakPolarHBondContact CG2-O 3.44Å; T166-E205 HydrophobicContact CG2-CB 3.82Å; T166-S217 WeakPolarHBondContact O-CB 3.27Å; T166-S217 PolarHBondContact O-OG 2.91Å
167	D	96.7	Very high	97.7	Very high	18 Å²	18	38.8 Å²	38.8	10%	0.096	21%	0.206	C	C	.	.			trans	-63.5	128.2	177.2	-179	-86.2	0	0	0	111.1	L163 T164 I169 R170 L171	L163-D167 HydrophobicContact CB-CB 4.01Å; T164-D167 WeakPolarHBondContact O-CB 3.48Å; T164-D167 PolarHBondContact O-N 2.74Å; T164-D167 PolarHBondContact OG1-N 3.19Å; D167-I169 PolarHBondContact O-N 3.35Å; D167-I169 WeakPolarHBondContact OD1-CA 3.44Å; D167-I169 VanDerWaalsContact OD1-CB 3.23Å; D167-I169 WeakPolarHBondContact OD1-CB 3.49Å; D167-I169 PolarHBondContact OD1-N 2.93Å; D167-R170 HydrophobicContact CB-CB 4.14Å; D167-R170 PolarHBondContact O-N 2.83Å; D167-R170 PolarHBondContact OD1-N 3.38Å; D167-R170 VanDerWaalsContact OD1-N 3.11Å; D167-L171 PolarHBondContact O-N 3.15Å
168	P	96.9	Very high	97.7	Very high	18 Å²	18	31.3 Å²	31.3	12%	0.117	17%	0.173	C	C	.	.	H	α-helix	trans	-57.9	-32.2	-178.6	-24.4	30.7	0	0	0	114.4	G172 N213 D216 S217 I220	P168-G172 PolarHBondContact O-N 3.06Å; P168-N213 HydrophobicContact CG-CB 3.94Å; P168-D216 HydrophobicContact CB-CB 4.07Å; P168-D216 HydrophobicContact CG-CB 4.03Å; P168-S217 WeakPolarHBondContact CD-OG 3.36Å; P168-S217 WeakPolarHBondContact CG-OG 3.3Å; P168-I220 HydrophobicContact CB-CD1 4.09Å; P168-I220 VanDerWaalsContact O-CD1 3.25Å; P168-I220 WeakPolarHBondContact O-CD1 3.39Å
169	I	97.4	Very high	97.7	Very high	23 Å²	23	30.7 Å²	30.7	12%	0.118	17%	0.17	C	C	.	.	H	α-helix	trans	-74.7	-42.6	-179.8	-57.8	176	0	0	0	109.8	E116 V119 F120 L163 D167 G172 L173	E116-I169 HydrophobicContact CG-CD1 3.27Å; V119-I169 HydrophobicContact CB-CG2 4.19Å; V119-I169 HydrophobicContact CG1-CG2 3.65Å; F120-I169 HydrophobicContact CB-CG2 4.46Å; F120-I169 HydrophobicContact CD2-CD1 4.15Å; F120-I169 HydrophobicContact CD2-CG1 4.46Å; L163-I169 HydrophobicContact CD1-CB 4.41Å; D167-I169 PolarHBondContact O-N 3.35Å; D167-I169 WeakPolarHBondContact OD1-CA 3.44Å; D167-I169 VanDerWaalsContact OD1-CB 3.23Å; D167-I169 WeakPolarHBondContact OD1-CB 3.49Å; D167-I169 PolarHBondContact OD1-N 2.93Å; I169-G172 PolarHBondContact O-N 3.34Å; I169-L173 VanDerWaalsContact O-CB 3.31Å; I169-L173 WeakPolarHBondContact O-CB 3.36Å; I169-L173 PolarHBondContact O-N 3.43Å
170	R	98.2	Very high	97.7	Very high	38 Å²	38	30.6 Å²	30.6	14%	0.143	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-46.5	174	179.2	175.6	171.4	165.4	-4.9	111.6	A159 L163 T164 D167 L173 A174 E201	A159-R170 HydrophobicContact CB-CB 4.31Å; A159-R170 HydrophobicContact CB-CG 4.15Å; L163-R170 HydrophobicContact CB-CB 4.18Å; L163-R170 HydrophobicContact CD1-CB 4.32Å; L163-R170 PolarHBondContact O-NH1 2.94Å; T164-R170 WeakPolarHBondContact O-CD 3.35Å; D167-R170 HydrophobicContact CB-CB 4.14Å; D167-R170 PolarHBondContact O-N 2.83Å; D167-R170 PolarHBondContact OD1-N 3.38Å; D167-R170 VanDerWaalsContact OD1-N 3.11Å; R170-L173 WeakPolarHBondContact O-CB 3.27Å; R170-L173 PolarHBondContact O-N 3.34Å; R170-A174 PolarHBondContact O-N 2.95Å; R170-E201 IonicContact CZ-OE2 3.77Å; R170-E201 IonicContact NH2-OE2 2.74Å; R170-E201 PolarHBondContact NH2-OE2 2.79Å
171	L	98.5	Very high	97.8	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-62	-46.1	176.2	-77.6	170.4	0	0	0	111.7	P165 D167 L173 A174 L175 A202 I220 M221 L224	P165-L171 WeakPolarHBondContact O-CG 3.35Å; D167-L171 PolarHBondContact O-N 3.15Å; L171-L173 VanDerWaalsContact C-N 3.27Å; L171-L173 PolarHBondContact O-N 3.48Å; L171-A174 PolarHBondContact O-N 3.16Å; L171-L175 PolarHBondContact O-N 3.19Å; L171-A202 HydrophobicContact CD1-CB 4.48Å; L171-A202 HydrophobicContact CD2-CB 3.77Å; L171-I220 HydrophobicContact CB-CB 4.2Å; L171-I220 HydrophobicContact CB-CD1 4.45Å; L171-I220 HydrophobicContact CB-CG2 3.67Å; L171-M221 HydrophobicContact CD1-CG 3.97Å; L171-M221 HydrophobicContact CD1-SD 4.5Å; L171-M221 HydrophobicContact CD2-CG 4.15Å; L171-L224 HydrophobicContact CD2-CD1 3.94Å
172	G	98.4	Very high	97.8	Very high	9 Å²	9	21.7 Å²	21.7	9%	0.093	12%	0.122	C	C	.	.	H	α-helix	trans	-63.9	-32.7	177.9	0	0	0	0	0	112.7	K123 P168 I169 N176	K123-G172 WeakPolarHBondContact CE-O 3.16Å; P168-G172 PolarHBondContact O-N 3.06Å; I169-G172 PolarHBondContact O-N 3.34Å; G172-N176 WeakPolarHBondContact O-CB 3.27Å; G172-N176 PolarHBondContact O-N 3.12Å; G172-N176 VanDerWaalsContact O-N 3.1Å
173	L	98.7	Very high	97.7	Very high	4 Å²	4	22 Å²	22	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-64.6	-51.1	171.9	175.7	65.3	0	0	0	110.9	V119 K123 Y152 A155 A159 I169 R170 L171 L175 N176 I177	V119-L173 HydrophobicContact CG1-CD2 4.06Å; K123-L173 HydrophobicContact CB-CD1 3.84Å; K123-L173 HydrophobicContact CD-CB 4.1Å; K123-L173 HydrophobicContact CD-CD1 4.48Å; K123-L173 HydrophobicContact CG-CB 4.32Å; K123-L173 HydrophobicContact CG-CD1 3.79Å; Y152-L173 HydrophobicContact CD1-CD1 3.81Å; Y152-L173 HydrophobicContact CE1-CD1 4.4Å; A155-L173 HydrophobicContact CB-CD1 3.75Å; A155-L173 HydrophobicContact CB-CD2 3.66Å; A155-L173 HydrophobicContact CB-CG 4.38Å; A159-L173 HydrophobicContact CB-CD2 3.97Å; I169-L173 VanDerWaalsContact O-CB 3.31Å; I169-L173 WeakPolarHBondContact O-CB 3.36Å; I169-L173 PolarHBondContact O-N 3.43Å; R170-L173 WeakPolarHBondContact O-CB 3.27Å; R170-L173 PolarHBondContact O-N 3.34Å; L171-L173 VanDerWaalsContact C-N 3.27Å; L171-L173 PolarHBondContact O-N 3.48Å; L173-L175 VanDerWaalsContact C-N 3.31Å; L173-L175 PolarHBondContact O-N 3.15Å; L173-N176 PolarHBondContact O-N 3.08Å; L173-N176 VanDerWaalsContact O-N 3.12Å; L173-I177 HydrophobicContact CD1-CD1 3.63Å; L173-I177 HydrophobicContact CD1-CG1 3.93Å; L173-I177 HydrophobicContact CD2-CD1 4.38Å; L173-I177 HydrophobicContact CG-CD1 3.69Å; L173-I177 HydrophobicContact CG-CG1 4.31Å; L173-I177 VanDerWaalsContact O-CG1 3.28Å; L173-I177 WeakPolarHBondContact O-CG1 3.48Å; L173-I177 PolarHBondContact O-N 3.43Å
174	A	98.7	Very high	97.8	Very high	11 Å²	11	22 Å²	22	9%	0.091	12%	0.12	C	C	.	.	H	α-helix	trans	-59.2	-41.9	178.5	0	0	0	0	0	112.3	R170 L171 N176 I177 S178 A198	R170-A174 PolarHBondContact O-N 2.95Å; L171-A174 PolarHBondContact O-N 3.16Å; A174-N176 PolarHBondContact O-N 2.86Å; A174-I177 PolarHBondContact O-N 2.86Å; A174-S178 WeakPolarHBondContact O-CB 3.38Å; A174-S178 PolarHBondContact O-N 3.42Å; A174-S178 PolarHBondContact O-OG 3.36Å; A174-A198 HydrophobicContact CB-CB 3.48Å; A174-A198 VanDerWaalsContact CB-CB 3.48Å
175	L	98.6	Very high	97.8	Very high	19 Å²	19	22.1 Å²	22.1	10%	0.099	12%	0.117	C	C	.	.	H	α-helix	trans	-56	-50.3	173.4	177.7	63.7	0	0	0	110.9	L171 L173 S178 V179 I220 L223 L224 N227	L171-L175 PolarHBondContact O-N 3.19Å; L173-L175 VanDerWaalsContact C-N 3.31Å; L173-L175 PolarHBondContact O-N 3.15Å; L175-S178 PolarHBondContact O-N 3.03Å; L175-S178 PolarHBondContact O-OG 2.84Å; L175-V179 WeakPolarHBondContact O-CG2 3.34Å; L175-V179 PolarHBondContact O-N 3.07Å; L175-V179 VanDerWaalsContact O-N 3.15Å; L175-I220 HydrophobicContact CB-CG2 4.31Å; L175-I220 HydrophobicContact CD2-CG2 4.18Å; L175-L223 HydrophobicContact CD1-CB 4.21Å; L175-L223 HydrophobicContact CD2-CB 3.95Å; L175-L223 HydrophobicContact CD2-CD1 3.95Å; L175-L224 HydrophobicContact CB-CD2 3.92Å; L175-L224 HydrophobicContact CB-CG 4.26Å; L175-L224 HydrophobicContact CD1-CD2 3.95Å; L175-L224 HydrophobicContact CD1-CG 4.21Å; L175-N227 VanDerWaalsContact CD1-ND2 3.3Å; L175-N227 WeakPolarHBondContact CD1-ND2 3.43Å
176	N	98.4	Very high	97.7	Very high	27 Å²	27	28 Å²	28	14%	0.144	15%	0.148	C	C	.	.	H	α-helix	trans	-71.3	-35.8	-175.9	-75.8	8.5	0	0	0	113.6	K123 D127 Y152 G172 L173 A174 V179 F180	K123-N176 WeakPolarHBondContact CE-ND2 3.36Å; K123-N176 PolarHBondContact NZ-ND2 3.12Å; D127-N176 VanDerWaalsContact OD1-CB 3.26Å; D127-N176 WeakPolarHBondContact OD1-CB 3.4Å; D127-N176 PolarHBondContact OD1-ND2 3.04Å; D127-N176 PolarHBondContact OD2-ND2 3.04Å; Y152-N176 HydrophobicContact CE1-CB 4.41Å; G172-N176 WeakPolarHBondContact O-CB 3.27Å; G172-N176 PolarHBondContact O-N 3.12Å; G172-N176 VanDerWaalsContact O-N 3.1Å; L173-N176 PolarHBondContact O-N 3.08Å; L173-N176 VanDerWaalsContact O-N 3.12Å; A174-N176 PolarHBondContact O-N 2.86Å; N176-V179 PolarHBondContact O-N 3.03Å; N176-F180 PolarHBondContact O-N 3.48Å
177	I	98.7	Very high	97.6	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.031	16%	0.161	C	C	.	.	H	α-helix	trans	-67.2	-39.1	174.4	-63.1	173.9	0	0	0	110.8	Y152 S156 L173 A174 V179 F180 Y181 L194	Y152-I177 HydrophobicContact CD1-CD1 4.25Å; Y152-I177 HydrophobicContact CD1-CG1 3.58Å; Y152-I177 HydrophobicContact CD2-CG1 4.04Å; Y152-I177 HydrophobicContact CE1-CG1 4.15Å; Y152-I177 HydrophobicContact CG-CD1 4.15Å; Y152-I177 HydrophobicContact CG-CG1 3.52Å; S156-I177 WeakPolarHBondContact OG-CD1 3.42Å; L173-I177 HydrophobicContact CD1-CD1 3.63Å; L173-I177 HydrophobicContact CD1-CG1 3.93Å; L173-I177 HydrophobicContact CD2-CD1 4.38Å; L173-I177 HydrophobicContact CG-CD1 3.69Å; L173-I177 HydrophobicContact CG-CG1 4.31Å; L173-I177 VanDerWaalsContact O-CG1 3.28Å; L173-I177 WeakPolarHBondContact O-CG1 3.48Å; L173-I177 PolarHBondContact O-N 3.43Å; A174-I177 PolarHBondContact O-N 2.86Å; I177-V179 VanDerWaalsContact C-N 3.33Å; I177-V179 PolarHBondContact O-N 3.33Å; I177-F180 WeakPolarHBondContact O-CB 3.36Å; I177-F180 PolarHBondContact O-N 3.21Å; I177-Y181 HydrophobicContact CG2-CD2 3.64Å; I177-Y181 HydrophobicContact CG2-CE2 3.38Å; I177-Y181 WeakPolarHBondContact O-CD2 3.38Å; I177-Y181 PolarHBondContact O-N 3.2Å; I177-L194 HydrophobicContact CB-CD2 3.53Å; I177-L194 HydrophobicContact CG2-CD2 3.26Å
178	S	98.4	Very high	97.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.9	-42.5	177.1	63.8	0	0	0	0	111.2	A174 L175 F180 Y181 C182 A191 W231	A174-S178 WeakPolarHBondContact O-CB 3.38Å; A174-S178 PolarHBondContact O-N 3.42Å; A174-S178 PolarHBondContact O-OG 3.36Å; L175-S178 PolarHBondContact O-N 3.03Å; L175-S178 PolarHBondContact O-OG 2.84Å; S178-F180 VanDerWaalsContact C-N 3.34Å; S178-F180 PolarHBondContact O-N 3.21Å; S178-Y181 PolarHBondContact O-N 3.06Å; S178-C182 PolarHBondContact O-N 3.46Å; S178-A191 WeakPolarHBondContact CB-O 3.5Å; S178-A191 WeakPolarHBondContact O-CB 3.46Å; S178-W231 WeakPolarHBondContact OG-CH2 3.45Å
179	V	97.8	Very high	97.4	Very high	19 Å²	19	35.8 Å²	35.8	12%	0.115	19%	0.193	C	C	.	.	H	α-helix	trans	-60	-42.3	172.2	175.5	0	0	0	0	111.7	L175 N176 I177 Y181 C182 E183 W231	L175-V179 WeakPolarHBondContact O-CG2 3.34Å; L175-V179 PolarHBondContact O-N 3.07Å; L175-V179 VanDerWaalsContact O-N 3.15Å; N176-V179 PolarHBondContact O-N 3.03Å; I177-V179 VanDerWaalsContact C-N 3.33Å; I177-V179 PolarHBondContact O-N 3.33Å; V179-Y181 PolarHBondContact O-N 3.31Å; V179-C182 PolarHBondContact O-N 3.21Å; V179-E183 HydrophobicContact CG1-CG 4Å; V179-E183 VanDerWaalsContact CG1-OE2 3.26Å; V179-E183 WeakPolarHBondContact CG1-OE2 3.2Å; V179-E183 WeakPolarHBondContact O-CB 3.17Å; V179-E183 PolarHBondContact O-N 3.44Å; V179-W231 HydrophobicContact CG2-CH2 4.29Å; V179-W231 HydrophobicContact CG2-CZ2 4.2Å
180	F	98.6	Very high	97.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.1	-47.5	173.9	174	-107.4	0	0	0	112.7	R130 S145 S148 L149 Y152 N176 I177 S178 C182 I184 M185	R130-F180 HydrophobicContact CB-CD2 4.15Å; R130-F180 HydrophobicContact CG-CD2 3.99Å; S145-F180 WeakPolarHBondContact O-CZ 3.42Å; S148-F180 WeakPolarHBondContact OG-CE2 3.46Å; L149-F180 HydrophobicContact CB-CE1 4.06Å; L149-F180 HydrophobicContact CB-CZ 4.19Å; L149-F180 HydrophobicContact CD1-CE1 4.17Å; Y152-F180 HydrophobicContact CD2-CB 4.35Å; Y152-F180 HydrophobicContact CD2-CD1 4.23Å; Y152-F180 HydrophobicContact CD2-CG 4.17Å; Y152-F180 HydrophobicContact CE2-CB 3.73Å; Y152-F180 HydrophobicContact CE2-CD1 4.34Å; Y152-F180 HydrophobicContact CE2-CD2 4.16Å; Y152-F180 AromaticContact CE2-CG 3.82Å; Y152-F180 HydrophobicContact CE2-CG 3.82Å; N176-F180 PolarHBondContact O-N 3.48Å; I177-F180 WeakPolarHBondContact O-CB 3.36Å; I177-F180 PolarHBondContact O-N 3.21Å; S178-F180 VanDerWaalsContact C-N 3.34Å; S178-F180 PolarHBondContact O-N 3.21Å; F180-C182 VanDerWaalsContact C-N 3.32Å; F180-C182 PolarHBondContact O-N 3.02Å; F180-I184 HydrophobicContact CD2-CB 3.8Å; F180-I184 HydrophobicContact CD2-CG1 3.9Å; F180-I184 HydrophobicContact CD2-CG2 4.23Å; F180-I184 HydrophobicContact CE2-CB 3.82Å; F180-I184 HydrophobicContact CE2-CG1 4.25Å; F180-I184 HydrophobicContact CE2-CG2 3.73Å; F180-I184 HydrophobicContact CZ-CG2 4.48Å; F180-I184 WeakPolarHBondContact O-CB 3.5Å; F180-I184 PolarHBondContact O-N 2.91Å; F180-M185 HydrophobicContact CD1-CG 3.91Å; F180-M185 HydrophobicContact CE1-CG 3.32Å; F180-M185 HydrophobicContact CE1-SD 3.86Å; F180-M185 HydrophobicContact CE2-CG 4.29Å; F180-M185 HydrophobicContact CE2-SD 4.37Å; F180-M185 HydrophobicContact CZ-CG 3.55Å; F180-M185 HydrophobicContact CZ-SD 3.54Å; F180-M185 VanDerWaalsContact CZ-SD 3.54Å; F180-M185 PolarHBondContact O-N 3.45Å; F180-M185 VanDerWaalsContact O-N 3.16Å
181	Y	98.4	Very high	97.3	Very high	18 Å²	18	37.7 Å²	37.7	7%	0.071	20%	0.202	C	C	.	.	H	α-helix	trans	-63.8	-39.8	179.8	-81.7	-59.2	0	0	0	112.3	L149 I177 S178 V179 M185 N186 S187 K190 L194	L149-Y181 HydrophobicContact CD1-CE1 4.5Å; L149-Y181 WeakPolarHBondContact CD1-OH 3.49Å; I177-Y181 HydrophobicContact CG2-CD2 3.64Å; I177-Y181 HydrophobicContact CG2-CE2 3.38Å; I177-Y181 WeakPolarHBondContact O-CD2 3.38Å; I177-Y181 PolarHBondContact O-N 3.2Å; S178-Y181 PolarHBondContact O-N 3.06Å; V179-Y181 PolarHBondContact O-N 3.31Å; Y181-M185 HydrophobicContact CD1-CB 3.96Å; Y181-M185 HydrophobicContact CD1-CG 3.97Å; Y181-M185 HydrophobicContact CE1-CG 4.35Å; Y181-M185 CarbonylContact O-C 3.59Å; Y181-N186 PolarHBondContact O-N 3.32Å; Y181-S187 PolarHBondContact O-N 3.41Å; Y181-K190 HydrophobicContact CD1-CB 4.44Å; Y181-K190 HydrophobicContact CD1-CD 3.72Å; Y181-K190 HydrophobicContact CD1-CG 4.16Å; Y181-K190 HydrophobicContact CD2-CD 4.39Å; Y181-K190 HydrophobicContact CD2-CG 4.17Å; Y181-K190 HydrophobicContact CE1-CD 3.47Å; Y181-K190 VanDerWaalsContact CE1-CD 3.47Å; Y181-K190 HydrophobicContact CE1-CG 4.26Å; Y181-K190 HydrophobicContact CE2-CD 4.16Å; Y181-K190 HydrophobicContact CE2-CG 4.25Å; Y181-K190 HydrophobicContact CG-CB 4.37Å; Y181-K190 HydrophobicContact CG-CD 4.21Å; Y181-K190 HydrophobicContact CG-CG 4.14Å; Y181-K190 VanDerWaalsContact CZ-NZ 3.27Å; Y181-K190 VanDerWaalsContact OH-CE 3.26Å; Y181-K190 WeakPolarHBondContact OH-CE 3.22Å; Y181-K190 PolarHBondContact OH-NZ 2.88Å; Y181-L194 HydrophobicContact CD2-CD2 4.4Å; Y181-L194 HydrophobicContact CE2-CD2 4.47Å
182	C	96.9	Very high	97.2	Very high	27 Å²	27	38.2 Å²	38.2	18%	0.182	21%	0.205	C	C	.	.	H	α-helix	trans	-69.7	-56.2	178.4	-167.2	0	0	0	0	111.6	S178 V179 F180 A191 W231	S178-C182 PolarHBondContact O-N 3.46Å; V179-C182 PolarHBondContact O-N 3.21Å; F180-C182 VanDerWaalsContact C-N 3.32Å; F180-C182 PolarHBondContact O-N 3.02Å; C182-A191 HydrophobicContact CB-CB 3.92Å; C182-W231 HydrophobicContact CB-CD2 4.48Å; C182-W231 HydrophobicContact CB-CZ2 3.93Å; C182-W231 VanDerWaalsContact SG-CD1 3.6Å; C182-W231 PolarHBondContact SG-NE1 3.45Å; C182-W231 VanDerWaalsContact SG-NE1 3.36Å
183	E	95.1	Very high	97.1	Very high	109 Å²	109	43.9 Å²	43.9	51%	0.509	23%	0.229	S	C	.	.	H	α-helix	trans	-81.9	-34.1	-168	-64.1	-178.4	168.4	0	0	113.8	R130 V179	R130-E183 IonicContact NH1-OE2 2.79Å; R130-E183 PolarHBondContact NH1-OE2 3.41Å; V179-E183 HydrophobicContact CG1-CG 4Å; V179-E183 VanDerWaalsContact CG1-OE2 3.26Å; V179-E183 WeakPolarHBondContact CG1-OE2 3.2Å; V179-E183 WeakPolarHBondContact O-CB 3.17Å; V179-E183 PolarHBondContact O-N 3.44Å
184	I	97.7	Very high	97.1	Very high	21 Å²	21	46.2 Å²	46.2	11%	0.108	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-46.3	-173.6	-55.2	-52.1	0	0	0	111.9	R130 A133 E134 S145 F180 N186	R130-I184 HydrophobicContact CG-CD1 4.45Å; R130-I184 HydrophobicContact CG-CG1 3.81Å; A133-I184 HydrophobicContact CB-CD1 4.05Å; A133-I184 HydrophobicContact CB-CG1 4.24Å; A133-I184 HydrophobicContact CB-CG2 3.71Å; E134-I184 HydrophobicContact CG-CD1 4.12Å; S145-I184 WeakPolarHBondContact OG-CG2 3.45Å; F180-I184 HydrophobicContact CD2-CB 3.8Å; F180-I184 HydrophobicContact CD2-CG1 3.9Å; F180-I184 HydrophobicContact CD2-CG2 4.23Å; F180-I184 HydrophobicContact CE2-CB 3.82Å; F180-I184 HydrophobicContact CE2-CG1 4.25Å; F180-I184 HydrophobicContact CE2-CG2 3.73Å; F180-I184 HydrophobicContact CZ-CG2 4.48Å; F180-I184 WeakPolarHBondContact O-CB 3.5Å; F180-I184 PolarHBondContact O-N 2.91Å; I184-N186 VanDerWaalsContact C-N 3.31Å
185	M	97.2	Very high	97	Very high	74 Å²	74	45.7 Å²	45.7	37%	0.365	24%	0.237	S	C	.	.	S	Bend	trans	-87.2	-0.4	-177.1	-57.8	-60.1	-62.9	0	0	113.4	F180 Y181 S187	F180-M185 HydrophobicContact CD1-CG 3.91Å; F180-M185 HydrophobicContact CE1-CG 3.32Å; F180-M185 HydrophobicContact CE1-SD 3.86Å; F180-M185 HydrophobicContact CE2-CG 4.29Å; F180-M185 HydrophobicContact CE2-SD 4.37Å; F180-M185 HydrophobicContact CZ-CG 3.55Å; F180-M185 HydrophobicContact CZ-SD 3.54Å; F180-M185 VanDerWaalsContact CZ-SD 3.54Å; F180-M185 PolarHBondContact O-N 3.45Å; F180-M185 VanDerWaalsContact O-N 3.16Å; Y181-M185 HydrophobicContact CD1-CB 3.96Å; Y181-M185 HydrophobicContact CD1-CG 3.97Å; Y181-M185 HydrophobicContact CE1-CG 4.35Å; Y181-M185 CarbonylContact O-C 3.59Å; M185-S187 PolarHBondContact O-N 2.98Å; M185-S187 VanDerWaalsContact O-N 3.14Å; M185-S187 PolarHBondContact O-OG 2.99Å
186	N	94.9	Very high	97	Very high	141 Å²	141	49.9 Å²	49.9	75%	0.754	26%	0.255	S	S	*	.			trans	47.6	43.6	-178.8	-165.3	55.6	0	0	0	112.5	Y181 I184 P188	Y181-N186 PolarHBondContact O-N 3.32Å; I184-N186 VanDerWaalsContact C-N 3.31Å; N186-P188 VanDerWaalsContact C-CD 3.45Å
187	S	95.9	Very high	97	Very high	44 Å²	44	52.2 Å²	52.2	31%	0.308	27%	0.267	S	S	.	.			trans	-128.4	64.8	-173.4	-64.7	0	0	0	0	110.2	Y181 M185 D189 K190 A191	Y181-S187 PolarHBondContact O-N 3.41Å; M185-S187 PolarHBondContact O-N 2.98Å; M185-S187 VanDerWaalsContact O-N 3.14Å; M185-S187 PolarHBondContact O-OG 2.99Å; S187-D189 VanDerWaalsContact C-N 3.29Å; S187-D189 PolarHBondContact O-N 3.48Å; S187-K190 PolarHBondContact O-N 2.75Å; S187-K190 VanDerWaalsContact O-N 3.15Å; S187-A191 PolarHBondContact O-N 2.83Å
188	P	94.4	Very high	97	Very high	37 Å²	37	52.7 Å²	52.7	24%	0.24	27%	0.272	C	S	.	.	H	α-helix	trans	-60.6	-34.8	-177.2	25.1	-34.4	0	0	0	112.7	N186 K190 A191 C192 M235	N186-P188 VanDerWaalsContact C-CD 3.45Å; P188-K190 VanDerWaalsContact C-N 3.31Å; P188-K190 PolarHBondContact O-N 2.79Å; P188-A191 WeakPolarHBondContact O-CB 3.42Å; P188-A191 PolarHBondContact O-N 3.49Å; P188-A191 VanDerWaalsContact O-N 3.15Å; P188-C192 WeakPolarHBondContact O-CB 3.28Å; P188-C192 PolarHBondContact O-N 2.96Å; P188-C192 PolarHBondContact O-SG 3.47Å; P188-M235 HydrophobicContact CB-CG 4.38Å; P188-M235 HydrophobicContact CB-SD 3.98Å; P188-M235 HydrophobicContact CG-CG 4.4Å; P188-M235 HydrophobicContact CG-SD 4.15Å
189	D	94.5	Very high	96.9	Very high	122 Å²	122	54.9 Å²	54.9	65%	0.652	28%	0.281	S	S	*	.	H	α-helix	trans	-56.2	-46	174.6	-67.9	-45.4	0	0	0	112.1	S187 C192 Q193	S187-D189 VanDerWaalsContact C-N 3.29Å; S187-D189 PolarHBondContact O-N 3.48Å; D189-C192 PolarHBondContact O-N 2.96Å; D189-Q193 WeakPolarHBondContact O-CB 3.4Å; D189-Q193 PolarHBondContact O-N 3.31Å
190	K	95.9	Very high	96.9	Very high	101 Å²	101	57.4 Å²	57.4	44%	0.439	30%	0.295	S	S	.	.	H	α-helix	trans	-69.8	-36.9	179.1	-168.2	171.1	-178.3	-170.6	0	111.3	Y181 S187 P188 L194	Y181-K190 HydrophobicContact CD1-CB 4.44Å; Y181-K190 HydrophobicContact CD1-CD 3.72Å; Y181-K190 HydrophobicContact CD1-CG 4.16Å; Y181-K190 HydrophobicContact CD2-CD 4.39Å; Y181-K190 HydrophobicContact CD2-CG 4.17Å; Y181-K190 HydrophobicContact CE1-CD 3.47Å; Y181-K190 VanDerWaalsContact CE1-CD 3.47Å; Y181-K190 HydrophobicContact CE1-CG 4.26Å; Y181-K190 HydrophobicContact CE2-CD 4.16Å; Y181-K190 HydrophobicContact CE2-CG 4.25Å; Y181-K190 HydrophobicContact CG-CB 4.37Å; Y181-K190 HydrophobicContact CG-CD 4.21Å; Y181-K190 HydrophobicContact CG-CG 4.14Å; Y181-K190 VanDerWaalsContact CZ-NZ 3.27Å; Y181-K190 VanDerWaalsContact OH-CE 3.26Å; Y181-K190 WeakPolarHBondContact OH-CE 3.22Å; Y181-K190 PolarHBondContact OH-NZ 2.88Å; S187-K190 PolarHBondContact O-N 2.75Å; S187-K190 VanDerWaalsContact O-N 3.15Å; P188-K190 VanDerWaalsContact C-N 3.31Å; P188-K190 PolarHBondContact O-N 2.79Å; K190-L194 WeakPolarHBondContact O-CB 3.34Å; K190-L194 PolarHBondContact O-N 3.36Å
191	A	96.7	Very high	96.9	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.2	-49.8	173.2	0	0	0	0	0	111.4	S178 C182 S187 P188 L194 A195 W231	S178-A191 WeakPolarHBondContact CB-O 3.5Å; S178-A191 WeakPolarHBondContact O-CB 3.46Å; C182-A191 HydrophobicContact CB-CB 3.92Å; S187-A191 PolarHBondContact O-N 2.83Å; P188-A191 WeakPolarHBondContact O-CB 3.42Å; P188-A191 PolarHBondContact O-N 3.49Å; P188-A191 VanDerWaalsContact O-N 3.15Å; A191-L194 PolarHBondContact O-N 3.37Å; A191-A195 WeakPolarHBondContact O-CB 3.31Å; A191-A195 PolarHBondContact O-N 2.9Å; A191-W231 HydrophobicContact CB-CE3 4.1Å; A191-W231 HydrophobicContact CB-CH2 4.31Å; A191-W231 HydrophobicContact CB-CZ3 3.9Å
192	C	97.1	Very high	96.8	Very high	13 Å²	13	60.7 Å²	60.7	9%	0.088	31%	0.31	C	S	.	.	H	α-helix	trans	-61.8	-45.8	178	-75.7	0	0	0	0	112	P188 D189 L194 A195 K196 L228 M235	P188-C192 WeakPolarHBondContact O-CB 3.28Å; P188-C192 PolarHBondContact O-N 2.96Å; P188-C192 PolarHBondContact O-SG 3.47Å; D189-C192 PolarHBondContact O-N 2.96Å; C192-L194 VanDerWaalsContact C-N 3.34Å; C192-L194 PolarHBondContact O-N 3.18Å; C192-A195 PolarHBondContact O-N 3.29Å; C192-K196 WeakPolarHBondContact O-CB 3.08Å; C192-K196 PolarHBondContact O-N 2.88Å; C192-L228 HydrophobicContact CB-CD2 4.05Å; C192-L228 WeakPolarHBondContact O-CD2 3.09Å; C192-M235 HydrophobicContact CB-CE 4.48Å; C192-M235 VanDerWaalsContact SG-CE 3.55Å
193	Q	97.2	Very high	96.8	Very high	128 Å²	128	62.8 Å²	62.8	60%	0.598	32%	0.322	S	S	*	.	H	α-helix	trans	-61	-44.1	178.7	-175.1	162.4	38.5	0	0	111.7	D189 N197	D189-Q193 WeakPolarHBondContact O-CB 3.4Å; D189-Q193 PolarHBondContact O-N 3.31Å; Q193-N197 WeakPolarHBondContact O-CB 3.23Å; Q193-N197 PolarHBondContact O-N 2.96Å; Q193-N197 PolarHBondContact O-ND2 2.96Å; Q193-N197 PolarHBondContact O-OD1 3.49Å
194	L	97.8	Very high	96.9	Very high	54 Å²	54	61.3 Å²	61.3	28%	0.283	33%	0.329	S	S	.	.	H	α-helix	trans	-64.7	-49.3	178.1	-174.6	74.6	0	0	0	112	I177 Y181 K190 A191 C192 K196 N197 A198	I177-L194 HydrophobicContact CB-CD2 3.53Å; I177-L194 HydrophobicContact CG2-CD2 3.26Å; Y181-L194 HydrophobicContact CD2-CD2 4.4Å; Y181-L194 HydrophobicContact CE2-CD2 4.47Å; K190-L194 WeakPolarHBondContact O-CB 3.34Å; K190-L194 PolarHBondContact O-N 3.36Å; A191-L194 PolarHBondContact O-N 3.37Å; C192-L194 VanDerWaalsContact C-N 3.34Å; C192-L194 PolarHBondContact O-N 3.18Å; L194-K196 VanDerWaalsContact C-N 3.32Å; L194-K196 PolarHBondContact O-N 3.27Å; L194-N197 PolarHBondContact O-N 3.25Å; L194-A198 PolarHBondContact O-N 2.92Å
195	A	97.9	Very high	96.8	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-63.1	-40.4	-179.2	0	0	0	0	0	111.6	A191 C192 F199 L224 L228 W231	A191-A195 WeakPolarHBondContact O-CB 3.31Å; A191-A195 PolarHBondContact O-N 2.9Å; C192-A195 PolarHBondContact O-N 3.29Å; A195-F199 WeakPolarHBondContact O-CB 3.39Å; A195-F199 PolarHBondContact O-N 3.41Å; A195-L224 HydrophobicContact CB-CD2 3.82Å; A195-L228 HydrophobicContact CB-CD1 4.3Å; A195-L228 HydrophobicContact CB-CD2 3.84Å; A195-L228 HydrophobicContact CB-CG 3.93Å; A195-W231 HydrophobicContact CB-CZ3 4.29Å
196	K	97.7	Very high	96.7	Very high	106 Å²	106	62.7 Å²	62.7	46%	0.461	34%	0.335	S	S	.	.	H	α-helix	trans	-63.9	-48.2	176.3	-179.2	171.7	173.8	46.7	0	111.7	C192 L194 A198 F199 D200 L228	C192-K196 WeakPolarHBondContact O-CB 3.08Å; C192-K196 PolarHBondContact O-N 2.88Å; L194-K196 VanDerWaalsContact C-N 3.32Å; L194-K196 PolarHBondContact O-N 3.27Å; K196-A198 VanDerWaalsContact C-N 3.35Å; K196-A198 PolarHBondContact O-N 2.87Å; K196-F199 PolarHBondContact O-N 2.68Å; K196-D200 WeakPolarHBondContact CE-OD2 3.27Å; K196-D200 WeakPolarHBondContact CG-OD2 3.43Å; K196-D200 IonicContact NZ-OD1 3.42Å; K196-D200 IonicContact NZ-OD2 3.14Å; K196-D200 PolarHBondContact NZ-OD2 2.95Å; K196-D200 WeakPolarHBondContact O-CB 3.38Å; K196-D200 VanDerWaalsContact O-CG 3.29Å; K196-D200 PolarHBondContact O-N 2.93Å; K196-L228 HydrophobicContact CB-CD1 4.27Å; K196-L228 HydrophobicContact CB-CD2 4.21Å
197	N	98.1	Very high	96.6	Very high	77 Å²	77	61.7 Å²	61.7	41%	0.412	34%	0.336	S	S	.	.	H	α-helix	trans	-59.6	-46.8	179	-71	-6.6	0	0	0	111.2	Q193 L194 F199 D200 E201	Q193-N197 WeakPolarHBondContact O-CB 3.23Å; Q193-N197 PolarHBondContact O-N 2.96Å; Q193-N197 PolarHBondContact O-ND2 2.96Å; Q193-N197 PolarHBondContact O-OD1 3.49Å; L194-N197 PolarHBondContact O-N 3.25Å; N197-F199 VanDerWaalsContact C-N 3.34Å; N197-F199 PolarHBondContact O-N 3.37Å; N197-D200 PolarHBondContact O-N 3.41Å; N197-E201 WeakPolarHBondContact O-CB 3.5Å; N197-E201 VanDerWaalsContact O-CG 3.27Å; N197-E201 WeakPolarHBondContact O-CG 3.46Å; N197-E201 PolarHBondContact O-N 3.11Å
198	A	98.2	Very high	96.3	Very high	15 Å²	15	64 Å²	64	12%	0.124	35%	0.352	C	S	.	.	H	α-helix	trans	-62.3	-40.7	177.9	0	0	0	0	0	112.5	A174 L194 K196 A202 L224	A174-A198 HydrophobicContact CB-CB 3.48Å; A174-A198 VanDerWaalsContact CB-CB 3.48Å; L194-A198 PolarHBondContact O-N 2.92Å; K196-A198 VanDerWaalsContact C-N 3.35Å; K196-A198 PolarHBondContact O-N 2.87Å; A198-A202 VanDerWaalsContact O-CB 3.29Å; A198-A202 WeakPolarHBondContact O-CB 3.29Å; A198-A202 PolarHBondContact O-N 3.03Å; A198-A202 VanDerWaalsContact O-N 3.08Å; A198-L224 HydrophobicContact CB-CD1 4.43Å
199	F	97.9	Very high	96.2	Very high	46 Å²	46	63.3 Å²	63.3	20%	0.202	35%	0.347	C	S	.	.	H	α-helix	trans	-64.5	-48.6	176.3	-176.1	-90.5	0	0	0	111.8	A195 K196 N197 A202 V203 M221 L224 R225	A195-F199 WeakPolarHBondContact O-CB 3.39Å; A195-F199 PolarHBondContact O-N 3.41Å; K196-F199 PolarHBondContact O-N 2.68Å; N197-F199 VanDerWaalsContact C-N 3.34Å; N197-F199 PolarHBondContact O-N 3.37Å; F199-A202 PolarHBondContact O-N 3.21Å; F199-V203 HydrophobicContact CD1-CG2 3.93Å; F199-V203 HydrophobicContact CE1-CG2 3.56Å; F199-V203 HydrophobicContact CZ-CG2 3.89Å; F199-V203 VanDerWaalsContact O-CG2 3.32Å; F199-V203 WeakPolarHBondContact O-CG2 3.34Å; F199-V203 PolarHBondContact O-N 3.38Å; F199-M221 HydrophobicContact CD2-CB 4.18Å; F199-M221 WeakPolarHBondContact CD2-O 3.31Å; F199-M221 HydrophobicContact CE2-CB 4.09Å; F199-M221 HydrophobicContact CE2-CE 4.39Å; F199-M221 WeakPolarHBondContact CE2-O 3.44Å; F199-L224 HydrophobicContact CD2-CB 4.46Å; F199-R225 HydrophobicContact CD2-CB 4.39Å; F199-R225 HydrophobicContact CE2-CB 3.97Å; F199-R225 HydrophobicContact CZ-CB 4.5Å
200	D	98	Very high	96	Very high	73 Å²	73	60.2 Å²	60.2	39%	0.39	34%	0.335	S	S	.	.	H	α-helix	trans	-65.6	-40.5	-177.4	-69.8	-17.4	0	0	0	111.4	K196 N197 V203 A204	K196-D200 WeakPolarHBondContact CE-OD2 3.27Å; K196-D200 WeakPolarHBondContact CG-OD2 3.43Å; K196-D200 IonicContact NZ-OD1 3.42Å; K196-D200 IonicContact NZ-OD2 3.14Å; K196-D200 PolarHBondContact NZ-OD2 2.95Å; K196-D200 WeakPolarHBondContact O-CB 3.38Å; K196-D200 VanDerWaalsContact O-CG 3.29Å; K196-D200 PolarHBondContact O-N 2.93Å; N197-D200 PolarHBondContact O-N 3.41Å; D200-V203 PolarHBondContact O-N 3.31Å; D200-A204 PolarHBondContact O-N 2.87Å
201	E	97.6	Very high	95.8	Very high	86 Å²	86	64.4 Å²	64.4	40%	0.402	36%	0.356	S	S	.	.	H	α-helix	trans	-61.1	-45.3	172.6	-72.9	175.4	-175.3	0	0	111.7	P165 R170 N197 A204 E205	P165-E201 HydrophobicContact CB-CB 3.94Å; P165-E201 HydrophobicContact CG-CB 4.33Å; R170-E201 IonicContact CZ-OE2 3.77Å; R170-E201 IonicContact NH2-OE2 2.74Å; R170-E201 PolarHBondContact NH2-OE2 2.79Å; N197-E201 WeakPolarHBondContact O-CB 3.5Å; N197-E201 VanDerWaalsContact O-CG 3.27Å; N197-E201 WeakPolarHBondContact O-CG 3.46Å; N197-E201 PolarHBondContact O-N 3.11Å; E201-A204 PolarHBondContact O-N 3.21Å; E201-E205 PolarHBondContact O-N 2.85Å
202	A	97.3	Very high	95.5	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-69.7	-33.7	-179.3	0	0	0	0	0	112.7	T166 L171 A198 F199 A204 E205 L206 M221	T166-A202 HydrophobicContact CG2-CB 4.41Å; T166-A202 WeakPolarHBondContact CG2-O 3.44Å; L171-A202 HydrophobicContact CD1-CB 4.48Å; L171-A202 HydrophobicContact CD2-CB 3.77Å; A198-A202 VanDerWaalsContact O-CB 3.29Å; A198-A202 WeakPolarHBondContact O-CB 3.29Å; A198-A202 PolarHBondContact O-N 3.03Å; A198-A202 VanDerWaalsContact O-N 3.08Å; F199-A202 PolarHBondContact O-N 3.21Å; A202-A204 VanDerWaalsContact C-N 3.32Å; A202-E205 CarbonylContact O-C 3.48Å; A202-E205 PolarHBondContact O-N 3.23Å; A202-L206 WeakPolarHBondContact O-CB 3.44Å; A202-L206 PolarHBondContact O-N 3.05Å; A202-M221 HydrophobicContact CB-CE 3.87Å; A202-M221 HydrophobicContact CB-CG 4.25Å; A202-M221 HydrophobicContact CB-SD 3.94Å
203	V	97	Very high	95.3	Very high	71 Å²	71	72.1 Å²	72.1	43%	0.43	39%	0.391	S	S	.	.	H	α-helix	trans	-62.1	-41.1	172.3	166.6	0	0	0	0	111	F199 D200 E205 L206 M221	F199-V203 HydrophobicContact CD1-CG2 3.93Å; F199-V203 HydrophobicContact CE1-CG2 3.56Å; F199-V203 HydrophobicContact CZ-CG2 3.89Å; F199-V203 VanDerWaalsContact O-CG2 3.32Å; F199-V203 WeakPolarHBondContact O-CG2 3.34Å; F199-V203 PolarHBondContact O-N 3.38Å; D200-V203 PolarHBondContact O-N 3.31Å; V203-E205 VanDerWaalsContact C-N 3.28Å; V203-E205 PolarHBondContact O-N 3.05Å; V203-L206 PolarHBondContact O-N 3.27Å; V203-M221 HydrophobicContact CB-CE 4.48Å; V203-M221 HydrophobicContact CG2-CE 3.62Å
204	A	96.9	Very high	95.1	Very high	78 Å²	78	72.2 Å²	72.2	65%	0.645	39%	0.387	S	S	*	.	H	α-helix	trans	-64.1	-32.7	179.9	0	0	0	0	0	112.9	D200 E201 A202	D200-A204 PolarHBondContact O-N 2.87Å; E201-A204 PolarHBondContact O-N 3.21Å; A202-A204 VanDerWaalsContact C-N 3.32Å
205	E	95.8	Very high	95	Very high	73 Å²	73	77.3 Å²	77.3	34%	0.341	41%	0.407	S	S	.	.	H	α-helix	trans	-101.4	0.8	179.4	-69.8	-164.5	-160.2	0	0	114.3	P165 T166 E201 A202 V203 P207 S208	P165-E205 WeakPolarHBondContact CD-OE1 3.27Å; P165-E205 WeakPolarHBondContact CD-OE2 3.46Å; P165-E205 HydrophobicContact CG-CG 4.43Å; P165-E205 WeakPolarHBondContact CG-OE1 3.43Å; T166-E205 HydrophobicContact CG2-CB 3.82Å; E201-E205 PolarHBondContact O-N 2.85Å; A202-E205 CarbonylContact O-C 3.48Å; A202-E205 PolarHBondContact O-N 3.23Å; V203-E205 VanDerWaalsContact C-N 3.28Å; V203-E205 PolarHBondContact O-N 3.05Å; E205-P207 VanDerWaalsContact C-N 3.29Å; E205-S208 PolarHBondContact O-N 3.29Å; E205-S208 PolarHBondContact O-OG 2.59Å
206	L	93.4	Very high	94.9	Very high	52 Å²	52	81.3 Å²	81.3	27%	0.272	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-54.9	-36.5	179.4	-164.8	65.6	0	0	0	113.8	A202 V203 S208 L209 T218 M221	A202-L206 WeakPolarHBondContact O-CB 3.44Å; A202-L206 PolarHBondContact O-N 3.05Å; V203-L206 PolarHBondContact O-N 3.27Å; L206-S208 PolarHBondContact O-N 3.47Å; L206-L209 HydrophobicContact CD1-CD2 3.71Å; L206-L209 VanDerWaalsContact O-CB 3.27Å; L206-L209 WeakPolarHBondContact O-CB 3.32Å; L206-L209 PolarHBondContact O-N 2.9Å; L206-L209 VanDerWaalsContact O-N 3.17Å; L206-T218 HydrophobicContact CD1-CG2 4.25Å; L206-M221 HydrophobicContact CD1-CE 4.4Å; L206-M221 HydrophobicContact CD1-SD 3.96Å
207	P	92.9	Very high	94.9	Very high	120 Å²	120	76.2 Å²	76.2	78%	0.779	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-62.9	-20.9	178	-24.7	36.1	0	0	0	115.2	E205	E205-P207 VanDerWaalsContact C-N 3.29Å
208	S	90.8	Very high	94.8	Very high	91 Å²	91	74.7 Å²	74.7	64%	0.636	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-98.9	5.1	178.4	53.1	0	0	0	0	113.3	E205 L206	E205-S208 PolarHBondContact O-N 3.29Å; E205-S208 PolarHBondContact O-OG 2.59Å; L206-S208 PolarHBondContact O-N 3.47Å
209	L	92.4	Very high	94.8	Very high	24 Å²	24	78.8 Å²	78.8	13%	0.126	42%	0.419	C	S	.	.			trans	-68	132.8	-178.6	-175.7	52.3	0	0	0	111.7	L206 N213 Y214	L206-L209 HydrophobicContact CD1-CD2 3.71Å; L206-L209 VanDerWaalsContact O-CB 3.27Å; L206-L209 WeakPolarHBondContact O-CB 3.32Å; L206-L209 PolarHBondContact O-N 2.9Å; L206-L209 VanDerWaalsContact O-N 3.17Å; L209-N213 HydrophobicContact CD1-CB 3.71Å; L209-Y214 HydrophobicContact CD2-CD2 4.05Å; L209-Y214 HydrophobicContact CG-CD2 4.37Å
210	S	90.5	Very high	94.8	Very high	57 Å²	57	78 Å²	78	40%	0.399	42%	0.416	S	S	.	.			trans	-69.5	152.1	175.9	66.1	0	0	0	0	112.2	E212 N213 Y214	S210-E212 PolarHBondContact O-N 3.41Å; S210-N213 PolarHBondContact O-N 2.98Å; S210-Y214 PolarHBondContact O-N 3.04Å
211	E	91.3	Very high	94.8	Very high	188 Å²	188	75 Å²	75	88%	0.879	40%	0.4	S	S	*	.	H	α-helix	trans	-59.7	-33.3	175.7	-66.5	-174	171	0	0	112.6	N213	E211-N213 PolarHBondContact O-N 3.44Å
212	E	91	Very high	94.8	Very high	143 Å²	143	73.9 Å²	73.9	67%	0.668	40%	0.395	S	S	*	.	H	α-helix	trans	-60.3	-44.3	178.5	-173.9	-173.9	160.2	0	0	111.9	K39 S210	K39-E212 IonicContact NZ-OE1 3.63Å; K39-E212 PolarHBondContact NZ-OE1 3.08Å; S210-E212 PolarHBondContact O-N 3.41Å
213	N	92.4	Very high	94.8	Very high	32 Å²	32	77.6 Å²	77.6	17%	0.171	41%	0.414	C	S	.	.	H	α-helix	trans	-92.1	-14.9	-175.5	-72.5	-17.1	0	0	0	113	P168 L209 S210 E211 K215 D216 S217	P168-N213 HydrophobicContact CG-CB 3.94Å; L209-N213 HydrophobicContact CD1-CB 3.71Å; S210-N213 PolarHBondContact O-N 2.98Å; E211-N213 PolarHBondContact O-N 3.44Å; N213-K215 VanDerWaalsContact C-N 3.33Å; N213-K215 PolarHBondContact O-N 3.45Å; N213-D216 PolarHBondContact O-N 3.46Å; N213-D216 VanDerWaalsContact O-N 3.16Å; N213-S217 PolarHBondContact O-N 3.44Å; N213-S217 PolarHBondContact O-OG 3.25Å; N213-S217 VanDerWaalsContact O-OG 3.12Å
214	Y	93.4	Very high	94.9	Very high	130 Å²	130	74.2 Å²	74.2	51%	0.51	39%	0.394	S	S	.	.	H	α-helix	trans	-50.2	-49	-170.8	-171.5	-91.6	0	0	0	113.6	L209 S210 T218	L209-Y214 HydrophobicContact CD2-CD2 4.05Å; L209-Y214 HydrophobicContact CG-CD2 4.37Å; S210-Y214 PolarHBondContact O-N 3.04Å; Y214-T218 HydrophobicContact CD1-CG2 4.32Å; Y214-T218 HydrophobicContact CD2-CG2 4.48Å; Y214-T218 HydrophobicContact CE1-CG2 4.06Å; Y214-T218 HydrophobicContact CE2-CG2 4.22Å; Y214-T218 WeakPolarHBondContact O-CB 3.43Å; Y214-T218 VanDerWaalsContact O-CG2 3.22Å; Y214-T218 WeakPolarHBondContact O-CG2 3.37Å; Y214-T218 PolarHBondContact O-N 3.17Å; Y214-T218 VanDerWaalsContact O-N 3.08Å; Y214-T218 PolarHBondContact O-OG1 3.38Å
215	K	95.2	Very high	94.9	Very high	162 Å²	162	76.6 Å²	76.6	70%	0.704	39%	0.386	S	S	*	.	H	α-helix	trans	-64.6	-46.2	-177.3	-176.5	-176.3	174.3	-171.4	0	112.2	N213 T218 L219	N213-K215 VanDerWaalsContact C-N 3.33Å; N213-K215 PolarHBondContact O-N 3.45Å; K215-T218 PolarHBondContact O-OG1 3.38Å; K215-L219 WeakPolarHBondContact O-CB 3.39Å; K215-L219 PolarHBondContact O-N 2.99Å
216	D	95.4	Very high	95	Very high	83 Å²	83	76.6 Å²	76.6	44%	0.444	39%	0.389	S	S	.	.	H	α-helix	trans	-72.8	-44.5	-175.1	-69.3	-18.2	0	0	0	110.9	P168 N213 L219 I220	P168-D216 HydrophobicContact CB-CB 4.07Å; P168-D216 HydrophobicContact CG-CB 4.03Å; N213-D216 PolarHBondContact O-N 3.46Å; N213-D216 VanDerWaalsContact O-N 3.16Å; D216-L219 PolarHBondContact O-N 2.89Å; D216-I220 VanDerWaalsContact O-CG1 3.26Å; D216-I220 WeakPolarHBondContact O-CG1 3.48Å; D216-I220 PolarHBondContact O-N 2.94Å
217	S	96.9	Very high	95	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-63.2	-45.5	178.7	-55.3	0	0	0	0	112	T166 P168 N213 L219 I220 M221	T166-S217 WeakPolarHBondContact O-CB 3.27Å; T166-S217 PolarHBondContact O-OG 2.91Å; P168-S217 WeakPolarHBondContact CD-OG 3.36Å; P168-S217 WeakPolarHBondContact CG-OG 3.3Å; N213-S217 PolarHBondContact O-N 3.44Å; N213-S217 PolarHBondContact O-OG 3.25Å; N213-S217 VanDerWaalsContact O-OG 3.12Å; S217-L219 VanDerWaalsContact C-N 3.34Å; S217-L219 PolarHBondContact O-N 3.46Å; S217-I220 PolarHBondContact O-N 3.17Å; S217-M221 WeakPolarHBondContact O-CB 3.41Å; S217-M221 VanDerWaalsContact O-CG 3.25Å; S217-M221 WeakPolarHBondContact O-CG 3.24Å; S217-M221 PolarHBondContact O-N 3.35Å
218	T	96.9	Very high	95.1	Very high	44 Å²	44	71.2 Å²	71.2	27%	0.27	35%	0.353	S	S	.	.	H	α-helix	trans	-65.8	-36.2	179.8	53.5	0	0	0	0	112.3	L206 Y214 K215 M221 Q222	L206-T218 HydrophobicContact CD1-CG2 4.25Å; Y214-T218 HydrophobicContact CD1-CG2 4.32Å; Y214-T218 HydrophobicContact CD2-CG2 4.48Å; Y214-T218 HydrophobicContact CE1-CG2 4.06Å; Y214-T218 HydrophobicContact CE2-CG2 4.22Å; Y214-T218 WeakPolarHBondContact O-CB 3.43Å; Y214-T218 VanDerWaalsContact O-CG2 3.22Å; Y214-T218 WeakPolarHBondContact O-CG2 3.37Å; Y214-T218 PolarHBondContact O-N 3.17Å; Y214-T218 VanDerWaalsContact O-N 3.08Å; Y214-T218 PolarHBondContact O-OG1 3.38Å; K215-T218 PolarHBondContact O-OG1 3.38Å; T218-M221 PolarHBondContact O-N 2.76Å; T218-Q222 WeakPolarHBondContact O-CB 3.28Å; T218-Q222 PolarHBondContact O-N 3.38Å
219	L	97.7	Very high	95.3	Very high	102 Å²	102	69.9 Å²	69.9	53%	0.534	35%	0.348	S	S	.	.	H	α-helix	trans	-62.3	-43.4	172.2	178.6	62.5	0	0	0	111.7	K215 D216 S217 Q222 L223	K215-L219 WeakPolarHBondContact O-CB 3.39Å; K215-L219 PolarHBondContact O-N 2.99Å; D216-L219 PolarHBondContact O-N 2.89Å; S217-L219 VanDerWaalsContact C-N 3.34Å; S217-L219 PolarHBondContact O-N 3.46Å; L219-Q222 WeakPolarHBondContact O-CB 3.42Å; L219-Q222 PolarHBondContact O-N 2.89Å; L219-L223 WeakPolarHBondContact O-CG 3.22Å; L219-L223 PolarHBondContact O-N 3.26Å; L219-L223 VanDerWaalsContact O-N 3.13Å
220	I	98	Very high	95.3	Very high	28 Å²	28	73 Å²	73	14%	0.144	37%	0.365	C	S	.	.	H	α-helix	trans	-70	-39.7	179.3	-61.5	164.2	0	0	0	111.3	P168 L171 L175 D216 S217 Q222 L223 L224	P168-I220 HydrophobicContact CB-CD1 4.09Å; P168-I220 VanDerWaalsContact O-CD1 3.25Å; P168-I220 WeakPolarHBondContact O-CD1 3.39Å; L171-I220 HydrophobicContact CB-CB 4.2Å; L171-I220 HydrophobicContact CB-CD1 4.45Å; L171-I220 HydrophobicContact CB-CG2 3.67Å; L175-I220 HydrophobicContact CB-CG2 4.31Å; L175-I220 HydrophobicContact CD2-CG2 4.18Å; D216-I220 VanDerWaalsContact O-CG1 3.26Å; D216-I220 WeakPolarHBondContact O-CG1 3.48Å; D216-I220 PolarHBondContact O-N 2.94Å; S217-I220 PolarHBondContact O-N 3.17Å; I220-Q222 VanDerWaalsContact C-N 3.26Å; I220-Q222 PolarHBondContact O-N 2.86Å; I220-L223 WeakPolarHBondContact O-CB 3.43Å; I220-L223 PolarHBondContact O-N 3.18Å; I220-L223 VanDerWaalsContact O-N 3.14Å; I220-L224 PolarHBondContact O-N 3.14Å
221	M	98	Very high	95.4	Very high	11 Å²	11	71.2 Å²	71.2	5%	0.054	35%	0.349	C	S	.	.	H	α-helix	trans	-59.9	-38.6	173.7	-70.8	172.2	73.7	0	0	111.8	L171 F199 A202 V203 L206 S217 T218 L224 R225	L171-M221 HydrophobicContact CD1-CG 3.97Å; L171-M221 HydrophobicContact CD1-SD 4.5Å; L171-M221 HydrophobicContact CD2-CG 4.15Å; F199-M221 HydrophobicContact CD2-CB 4.18Å; F199-M221 WeakPolarHBondContact CD2-O 3.31Å; F199-M221 HydrophobicContact CE2-CB 4.09Å; F199-M221 HydrophobicContact CE2-CE 4.39Å; F199-M221 WeakPolarHBondContact CE2-O 3.44Å; A202-M221 HydrophobicContact CB-CE 3.87Å; A202-M221 HydrophobicContact CB-CG 4.25Å; A202-M221 HydrophobicContact CB-SD 3.94Å; V203-M221 HydrophobicContact CB-CE 4.48Å; V203-M221 HydrophobicContact CG2-CE 3.62Å; L206-M221 HydrophobicContact CD1-CE 4.4Å; L206-M221 HydrophobicContact CD1-SD 3.96Å; S217-M221 WeakPolarHBondContact O-CB 3.41Å; S217-M221 VanDerWaalsContact O-CG 3.25Å; S217-M221 WeakPolarHBondContact O-CG 3.24Å; S217-M221 PolarHBondContact O-N 3.35Å; T218-M221 PolarHBondContact O-N 2.76Å; M221-L224 PolarHBondContact O-N 3.42Å; M221-R225 PolarHBondContact O-N 2.87Å
222	Q	97.8	Very high	95.4	Very high	63 Å²	63	66.2 Å²	66.2	29%	0.294	33%	0.329	S	S	.	.	H	α-helix	trans	-60.4	-46.7	173.3	178.1	57.8	37.9	0	0	111.4	T218 L219 I220 L224 R225 D226	T218-Q222 WeakPolarHBondContact O-CB 3.28Å; T218-Q222 PolarHBondContact O-N 3.38Å; L219-Q222 WeakPolarHBondContact O-CB 3.42Å; L219-Q222 PolarHBondContact O-N 2.89Å; I220-Q222 VanDerWaalsContact C-N 3.26Å; I220-Q222 PolarHBondContact O-N 2.86Å; Q222-L224 PolarHBondContact O-N 3.27Å; Q222-R225 WeakPolarHBondContact O-CB 3.29Å; Q222-R225 PolarHBondContact O-N 3.21Å; Q222-D226 PolarHBondContact NE2-OD1 3.38Å; Q222-D226 PolarHBondContact NE2-OD2 3.09Å; Q222-D226 PolarHBondContact O-N 3.37Å
223	L	98.1	Very high	95.3	Very high	77 Å²	77	61.8 Å²	61.8	40%	0.403	31%	0.313	S	S	.	.	H	α-helix	trans	-62.7	-40.6	177.3	-66.3	172	0	0	0	112.6	L175 L219 I220 R225 D226 N227	L175-L223 HydrophobicContact CD1-CB 4.21Å; L175-L223 HydrophobicContact CD2-CB 3.95Å; L175-L223 HydrophobicContact CD2-CD1 3.95Å; L219-L223 WeakPolarHBondContact O-CG 3.22Å; L219-L223 PolarHBondContact O-N 3.26Å; L219-L223 VanDerWaalsContact O-N 3.13Å; I220-L223 WeakPolarHBondContact O-CB 3.43Å; I220-L223 PolarHBondContact O-N 3.18Å; I220-L223 VanDerWaalsContact O-N 3.14Å; L223-R225 VanDerWaalsContact C-N 3.35Å; L223-D226 PolarHBondContact O-N 2.78Å; L223-N227 WeakPolarHBondContact O-CB 3.47Å; L223-N227 PolarHBondContact O-N 3.3Å
224	L	98	Very high	94.9	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-59.1	-46.4	174.1	-78.1	167.9	0	0	0	111.4	L171 L175 A195 A198 F199 I220 M221 Q222 D226 N227 L228	L171-L224 HydrophobicContact CD2-CD1 3.94Å; L175-L224 HydrophobicContact CB-CD2 3.92Å; L175-L224 HydrophobicContact CB-CG 4.26Å; L175-L224 HydrophobicContact CD1-CD2 3.95Å; L175-L224 HydrophobicContact CD1-CG 4.21Å; A195-L224 HydrophobicContact CB-CD2 3.82Å; A198-L224 HydrophobicContact CB-CD1 4.43Å; F199-L224 HydrophobicContact CD2-CB 4.46Å; I220-L224 PolarHBondContact O-N 3.14Å; M221-L224 PolarHBondContact O-N 3.42Å; Q222-L224 PolarHBondContact O-N 3.27Å; L224-D226 VanDerWaalsContact C-N 3.35Å; L224-D226 PolarHBondContact O-N 2.61Å; L224-N227 PolarHBondContact O-N 2.93Å; L224-L228 VanDerWaalsContact O-CG 3.31Å; L224-L228 WeakPolarHBondContact O-CG 3.48Å; L224-L228 PolarHBondContact O-N 2.8Å
225	R	97.1	Very high	94.5	Very high	128 Å²	128	59.9 Å²	59.9	48%	0.483	31%	0.311	S	S	.	.	H	α-helix	trans	-62.2	-42.4	177.7	-173.6	-174.7	75.7	-169.2	5.3	112	F199 M221 Q222 L223 L228 A229	F199-R225 HydrophobicContact CD2-CB 4.39Å; F199-R225 HydrophobicContact CE2-CB 3.97Å; F199-R225 HydrophobicContact CZ-CB 4.5Å; M221-R225 PolarHBondContact O-N 2.87Å; Q222-R225 WeakPolarHBondContact O-CB 3.29Å; Q222-R225 PolarHBondContact O-N 3.21Å; L223-R225 VanDerWaalsContact C-N 3.35Å; R225-L228 WeakPolarHBondContact O-CB 2.98Å; R225-L228 PolarHBondContact O-N 3.31Å; R225-A229 PolarHBondContact O-N 3.33Å
226	D	97.1	Very high	93.9	Very high	73 Å²	73	54.5 Å²	54.5	39%	0.39	30%	0.296	S	S	.	.	H	α-helix	trans	-68.1	-39.9	-178.1	-64.4	-11.8	0	0	0	111	Q222 L223 L224 A229 L230	Q222-D226 PolarHBondContact NE2-OD1 3.38Å; Q222-D226 PolarHBondContact NE2-OD2 3.09Å; Q222-D226 PolarHBondContact O-N 3.37Å; L223-D226 PolarHBondContact O-N 2.78Å; L224-D226 VanDerWaalsContact C-N 3.35Å; L224-D226 PolarHBondContact O-N 2.61Å; D226-A229 PolarHBondContact O-N 2.86Å; D226-L230 PolarHBondContact O-N 3.38Å; D226-L230 VanDerWaalsContact O-N 3.1Å
227	N	94.5	Very high	93.2	Very high	37 Å²	37	55.3 Å²	55.3	20%	0.198	30%	0.301	C	S	.	.	H	α-helix	trans	-62.6	-43.3	172.3	-77	1.9	0	0	0	112.4	L175 L223 L224 A229 L230 W231	L175-N227 VanDerWaalsContact CD1-ND2 3.3Å; L175-N227 WeakPolarHBondContact CD1-ND2 3.43Å; L223-N227 WeakPolarHBondContact O-CB 3.47Å; L223-N227 PolarHBondContact O-N 3.3Å; L224-N227 PolarHBondContact O-N 2.93Å; N227-A229 VanDerWaalsContact C-N 3.29Å; N227-A229 PolarHBondContact O-N 2.99Å; N227-L230 PolarHBondContact O-N 3.45Å; N227-W231 HydrophobicContact CB-CD2 4.38Å; N227-W231 HydrophobicContact CB-CE3 4.21Å; N227-W231 HydrophobicContact CB-CH2 3.74Å; N227-W231 HydrophobicContact CB-CZ2 3.91Å; N227-W231 HydrophobicContact CB-CZ3 3.89Å; N227-W231 VanDerWaalsContact O-CD2 3.31Å; N227-W231 PolarHBondContact O-N 3.36Å
228	L	95.3	Very high	92.2	Very high	22 Å²	22	60.3 Å²	60.3	12%	0.115	33%	0.328	C	S	.	.	H	α-helix	trans	-59.4	-40.7	175.6	-76.9	168.3	0	0	0	111.9	C192 A195 K196 L224 R225 N232	C192-L228 HydrophobicContact CB-CD2 4.05Å; C192-L228 WeakPolarHBondContact O-CD2 3.09Å; A195-L228 HydrophobicContact CB-CD1 4.3Å; A195-L228 HydrophobicContact CB-CD2 3.84Å; A195-L228 HydrophobicContact CB-CG 3.93Å; K196-L228 HydrophobicContact CB-CD1 4.27Å; K196-L228 HydrophobicContact CB-CD2 4.21Å; L224-L228 VanDerWaalsContact O-CG 3.31Å; L224-L228 WeakPolarHBondContact O-CG 3.48Å; L224-L228 PolarHBondContact O-N 2.8Å; R225-L228 WeakPolarHBondContact O-CB 2.98Å; R225-L228 PolarHBondContact O-N 3.31Å; L228-N232 VanDerWaalsContact O-CB 3.29Å; L228-N232 WeakPolarHBondContact O-CB 3.33Å; L228-N232 VanDerWaalsContact O-CG 3.23Å; L228-N232 PolarHBondContact O-N 3.26Å; L228-N232 VanDerWaalsContact O-N 3.12Å; L228-N232 PolarHBondContact O-ND2 3.11Å
229	A	94.1	Very high	91.2	Very high	64 Å²	64	60 Å²	60	53%	0.529	33%	0.329	S	S	.	.	H	α-helix	trans	-63.6	-45.3	177.5	0	0	0	0	0	111.4	R225 D226 N227 S233	R225-A229 PolarHBondContact O-N 3.33Å; D226-A229 PolarHBondContact O-N 2.86Å; N227-A229 VanDerWaalsContact C-N 3.29Å; N227-A229 PolarHBondContact O-N 2.99Å; A229-S233 PolarHBondContact O-N 3.35Å; A229-S233 VanDerWaalsContact O-N 3.12Å; A229-S233 PolarHBondContact O-OG 3Å
230	L	92.7	Very high	90	Very high	89 Å²	89	59 Å²	59	47%	0.466	32%	0.324	S	S	.	.	H	α-helix	trans	-61.8	-51.2	178.5	-178.8	67.8	0	0	0	112.3	D226 N227 N232 S233 D234	D226-L230 PolarHBondContact O-N 3.38Å; D226-L230 VanDerWaalsContact O-N 3.1Å; N227-L230 PolarHBondContact O-N 3.45Å; L230-N232 VanDerWaalsContact C-N 3.32Å; L230-N232 PolarHBondContact O-N 3.47Å; L230-S233 PolarHBondContact O-N 3.18Å; L230-S233 PolarHBondContact O-OG 2.88Å; L230-D234 VanDerWaalsContact O-CG 3.28Å; L230-D234 PolarHBondContact O-N 3.44Å
231	W	92.7	Very high	88.6	Confident	19 Å²	19	61.4 Å²	61.4	7%	0.072	34%	0.338	C	S	.	.	H	α-helix	trans	-69.2	-31.9	-176.7	-59	-31.9	0	0	0	112.7	S178 V179 C182 A191 A195 N227 M235	S178-W231 WeakPolarHBondContact OG-CH2 3.45Å; V179-W231 HydrophobicContact CG2-CH2 4.29Å; V179-W231 HydrophobicContact CG2-CZ2 4.2Å; C182-W231 HydrophobicContact CB-CD2 4.48Å; C182-W231 HydrophobicContact CB-CZ2 3.93Å; C182-W231 VanDerWaalsContact SG-CD1 3.6Å; C182-W231 PolarHBondContact SG-NE1 3.45Å; C182-W231 VanDerWaalsContact SG-NE1 3.36Å; A191-W231 HydrophobicContact CB-CE3 4.1Å; A191-W231 HydrophobicContact CB-CH2 4.31Å; A191-W231 HydrophobicContact CB-CZ3 3.9Å; A195-W231 HydrophobicContact CB-CZ3 4.29Å; N227-W231 HydrophobicContact CB-CD2 4.38Å; N227-W231 HydrophobicContact CB-CE3 4.21Å; N227-W231 HydrophobicContact CB-CH2 3.74Å; N227-W231 HydrophobicContact CB-CZ2 3.91Å; N227-W231 HydrophobicContact CB-CZ3 3.89Å; N227-W231 VanDerWaalsContact O-CD2 3.31Å; N227-W231 PolarHBondContact O-N 3.36Å; W231-M235 WeakPolarHBondContact O-CB 3.44Å; W231-M235 VanDerWaalsContact O-CE 3.28Å; W231-M235 WeakPolarHBondContact O-CE 3.24Å; W231-M235 VanDerWaalsContact O-CG 3.3Å; W231-M235 WeakPolarHBondContact O-CG 3.38Å; W231-M235 PolarHBondContact O-N 2.83Å; W231-M235 VanDerWaalsContact O-N 3.08Å
232	N	90.7	Very high	87.2	Confident	84 Å²	84	66 Å²	66	45%	0.449	36%	0.362	S	S	.	.	H	α-helix	trans	-71	-30.9	174.5	-73.4	-43.6	0	0	0	112.8	L228 L230 M235 A236	L228-N232 VanDerWaalsContact O-CB 3.29Å; L228-N232 WeakPolarHBondContact O-CB 3.33Å; L228-N232 VanDerWaalsContact O-CG 3.23Å; L228-N232 PolarHBondContact O-N 3.26Å; L228-N232 VanDerWaalsContact O-N 3.12Å; L228-N232 PolarHBondContact O-ND2 3.11Å; L230-N232 VanDerWaalsContact C-N 3.32Å; L230-N232 PolarHBondContact O-N 3.47Å; N232-M235 WeakPolarHBondContact OD1-CE 3.3Å; N232-A236 WeakPolarHBondContact O-CB 3.26Å; N232-A236 PolarHBondContact O-N 3.48Å
233	S	89.4	Confident	85.4	Confident	50 Å²	50	70.2 Å²	70.2	35%	0.35	38%	0.375	S	S	.	.	H	α-helix	trans	-69.2	-46	171.6	55.7	0	0	0	0	111.3	A229 L230 M235 A236 D237	A229-S233 PolarHBondContact O-N 3.35Å; A229-S233 VanDerWaalsContact O-N 3.12Å; A229-S233 PolarHBondContact O-OG 3Å; L230-S233 PolarHBondContact O-N 3.18Å; L230-S233 PolarHBondContact O-OG 2.88Å; S233-M235 VanDerWaalsContact C-N 3.31Å; S233-M235 PolarHBondContact O-N 3.42Å; S233-A236 WeakPolarHBondContact O-CB 3.35Å; S233-A236 PolarHBondContact O-N 2.95Å; S233-D237 PolarHBondContact O-N 2.95Å
234	D	84.7	Confident	83.7	Confident	75 Å²	75	73.1 Å²	73.1	40%	0.401	39%	0.386	S	S	.	.	H	α-helix	trans	-60.4	-41.7	-178.6	-64.2	-11.1	0	0	0	111.3	L230 A236 D237 D238	L230-D234 VanDerWaalsContact O-CG 3.28Å; L230-D234 PolarHBondContact O-N 3.44Å; D234-A236 VanDerWaalsContact C-N 3.34Å; D234-A236 PolarHBondContact O-N 2.96Å; D234-D237 PolarHBondContact O-N 3.28Å; D234-D238 PolarHBondContact O-N 2.84Å
235	M	83.7	Confident	82	Confident	47 Å²	47	81.1 Å²	81.1	23%	0.232	42%	0.416	C	S	.	.	H	α-helix	trans	-68.1	-30.2	175.9	-71.2	-175.3	-69.3	0	0	113.6	P188 C192 W231 N232 S233 A239	P188-M235 HydrophobicContact CB-CG 4.38Å; P188-M235 HydrophobicContact CB-SD 3.98Å; P188-M235 HydrophobicContact CG-CG 4.4Å; P188-M235 HydrophobicContact CG-SD 4.15Å; C192-M235 HydrophobicContact CB-CE 4.48Å; C192-M235 VanDerWaalsContact SG-CE 3.55Å; W231-M235 WeakPolarHBondContact O-CB 3.44Å; W231-M235 VanDerWaalsContact O-CE 3.28Å; W231-M235 WeakPolarHBondContact O-CE 3.24Å; W231-M235 VanDerWaalsContact O-CG 3.3Å; W231-M235 WeakPolarHBondContact O-CG 3.38Å; W231-M235 PolarHBondContact O-N 2.83Å; W231-M235 VanDerWaalsContact O-N 3.08Å; N232-M235 WeakPolarHBondContact OD1-CE 3.3Å; S233-M235 VanDerWaalsContact C-N 3.31Å; S233-M235 PolarHBondContact O-N 3.42Å; M235-A239 WeakPolarHBondContact O-CB 3.3Å; M235-A239 PolarHBondContact O-N 3.42Å
236	A	82.7	Confident	80.4	Confident	48 Å²	48	78.7 Å²	78.7	40%	0.397	42%	0.416	S	S	.	.	H	α-helix	trans	-72.9	-42.6	176.2	0	0	0	0	0	111	N232 S233 D234 A239 D240	N232-A236 WeakPolarHBondContact O-CB 3.26Å; N232-A236 PolarHBondContact O-N 3.48Å; S233-A236 WeakPolarHBondContact O-CB 3.35Å; S233-A236 PolarHBondContact O-N 2.95Å; D234-A236 VanDerWaalsContact C-N 3.34Å; D234-A236 PolarHBondContact O-N 2.96Å; A236-A239 PolarHBondContact O-N 2.88Å; A236-D240 PolarHBondContact O-N 3.44Å
237	D	80.7	Confident	78.7	Confident	101 Å²	101	81 Å²	81	54%	0.54	43%	0.428	S	S	.	.	H	α-helix	trans	-62.3	-45	176.4	-69.8	-13.6	0	0	0	110.8	S233 D234 A239 D240 D241	S233-D237 PolarHBondContact O-N 2.95Å; D234-D237 PolarHBondContact O-N 3.28Å; D237-A239 VanDerWaalsContact C-N 3.29Å; D237-A239 PolarHBondContact O-N 3.48Å; D237-D240 PolarHBondContact O-N 2.84Å; D237-D241 WeakPolarHBondContact O-CB 3.48Å; D237-D241 PolarHBondContact O-N 3.05Å
238	D	77.1	Confident	76.9	Confident	105 Å²	105	84.9 Å²	84.9	56%	0.561	45%	0.453	S	S	*	.	H	α-helix	trans	-59.7	-37.9	174.8	-80.7	-17.6	0	0	0	112.4	D234 I242	D234-D238 PolarHBondContact O-N 2.84Å; D238-I242 WeakPolarHBondContact O-CD1 3.41Å; D238-I242 VanDerWaalsContact O-CG1 3.24Å; D238-I242 WeakPolarHBondContact O-CG1 3.35Å; D238-I242 PolarHBondContact O-N 2.86Å; D238-I242 VanDerWaalsContact O-N 3.15Å
239	A	74.4	Confident	74.9	Confident	37 Å²	37	89.5 Å²	89.5	31%	0.306	48%	0.482	S	S	.	.	H	α-helix	trans	-70.2	-37.1	179.2	0	0	0	0	0	112.5	M235 A236 D237 R243	M235-A239 WeakPolarHBondContact O-CB 3.3Å; M235-A239 PolarHBondContact O-N 3.42Å; A236-A239 PolarHBondContact O-N 2.88Å; D237-A239 VanDerWaalsContact C-N 3.29Å; D237-A239 PolarHBondContact O-N 3.48Å; A239-R243 WeakPolarHBondContact O-CG 3.39Å; A239-R243 PolarHBondContact O-N 2.73Å; A239-R243 VanDerWaalsContact O-N 3.17Å
240	D	72.8	Confident	72.6	Confident	80 Å²	80	89.6 Å²	89.6	43%	0.428	49%	0.49	S	S	.	.	H	α-helix	trans	-73.4	-38.2	177	-75.3	-19.1	0	0	0	111.5	A236 D237 I242 R243 E244	A236-D240 PolarHBondContact O-N 3.44Å; D237-D240 PolarHBondContact O-N 2.84Å; D240-I242 VanDerWaalsContact C-N 3.29Å; D240-I242 PolarHBondContact O-N 2.74Å; D240-R243 WeakPolarHBondContact O-CB 3.18Å; D240-R243 PolarHBondContact O-N 3.32Å; D240-R243 VanDerWaalsContact O-N 3.1Å; D240-R243 IonicContact OD1-CZ 3.45Å; D240-R243 IonicContact OD1-NH1 3.9Å; D240-R243 PolarHBondContact OD1-NH1 3.41Å; D240-E244 PolarHBondContact O-N 2.86Å
241	D	68.3	Low	70.5	Confident	79 Å²	79	89.4 Å²	89.4	42%	0.422	50%	0.501	S	S	.	.	H	α-helix	trans	-57.7	-40.2	171.7	-110.2	30.7	0	0	0	112.3	D237 R245	D237-D241 WeakPolarHBondContact O-CB 3.48Å; D237-D241 PolarHBondContact O-N 3.05Å; D241-R245 VanDerWaalsContact O-CG 3.3Å; D241-R245 WeakPolarHBondContact O-CG 3.42Å; D241-R245 PolarHBondContact O-N 3.07Å; D241-R245 IonicContact OD2-NH2 2.73Å
242	I	69.4	Low	68.2	Low	109 Å²	109	98 Å²	98	56%	0.559	54%	0.539	S	S	*	.	H	α-helix	trans	-66.6	-42.9	175.6	-69.5	165.6	0	0	0	110.7	D238 D240 R245 T246	D238-I242 WeakPolarHBondContact O-CD1 3.41Å; D238-I242 VanDerWaalsContact O-CG1 3.24Å; D238-I242 WeakPolarHBondContact O-CG1 3.35Å; D238-I242 PolarHBondContact O-N 2.86Å; D238-I242 VanDerWaalsContact O-N 3.15Å; D240-I242 VanDerWaalsContact C-N 3.29Å; D240-I242 PolarHBondContact O-N 2.74Å; I242-R245 PolarHBondContact O-N 3.35Å; I242-T246 WeakPolarHBondContact O-CG2 3.33Å; I242-T246 PolarHBondContact O-N 2.83Å; I242-T246 PolarHBondContact O-OG1 3.28Å
243	R	60	Low	65.8	Low	151 Å²	151	97.5 Å²	97.5	57%	0.57	55%	0.554	S	S	*	*	H	α-helix	trans	-62.2	-46.1	179.1	-74.2	169.3	179.2	165.1	-0	112	A239 D240 R245 T246 D247	A239-R243 WeakPolarHBondContact O-CG 3.39Å; A239-R243 PolarHBondContact O-N 2.73Å; A239-R243 VanDerWaalsContact O-N 3.17Å; D240-R243 WeakPolarHBondContact O-CB 3.18Å; D240-R243 PolarHBondContact O-N 3.32Å; D240-R243 VanDerWaalsContact O-N 3.1Å; D240-R243 IonicContact OD1-CZ 3.45Å; D240-R243 IonicContact OD1-NH1 3.9Å; D240-R243 PolarHBondContact OD1-NH1 3.41Å; R243-R245 VanDerWaalsContact C-N 3.31Å; R243-R245 PolarHBondContact O-N 2.88Å; R243-T246 WeakPolarHBondContact CA-OG1 3.47Å; R243-T246 PolarHBondContact O-N 3.26Å; R243-T246 VanDerWaalsContact O-N 3.13Å; R243-T246 PolarHBondContact O-OG1 3.37Å; R243-D247 WeakPolarHBondContact O-CB 3.49Å; R243-D247 PolarHBondContact O-N 3.37Å
244	E	63.1	Low	63.7	Low	137 Å²	137	102.4 Å²	102.4	64%	0.64	58%	0.576	S	S	*	*	H	α-helix	trans	-61.8	-38.9	177.4	-71.3	-166.2	170.9	0	0	112.1	D240 T248	D240-E244 PolarHBondContact O-N 2.86Å; E244-T248 WeakPolarHBondContact O-CG2 3.21Å; E244-T248 PolarHBondContact O-N 3.35Å; E244-T248 VanDerWaalsContact O-N 3.12Å; E244-T248 PolarHBondContact O-OG1 3.47Å
245	R	60.9	Low	61.9	Low	169 Å²	169	104.8 Å²	104.8	64%	0.638	60%	0.595	S	S	*	*	H	α-helix	trans	-67	-36.2	174.2	-71.4	177.1	-165.2	-175.2	11.1	112.4	D241 I242 R243 T248 T249	D241-R245 VanDerWaalsContact O-CG 3.3Å; D241-R245 WeakPolarHBondContact O-CG 3.42Å; D241-R245 PolarHBondContact O-N 3.07Å; D241-R245 IonicContact OD2-NH2 2.73Å; I242-R245 PolarHBondContact O-N 3.35Å; R243-R245 VanDerWaalsContact C-N 3.31Å; R243-R245 PolarHBondContact O-N 2.88Å; R245-T248 PolarHBondContact O-OG1 2.96Å; R245-T248 VanDerWaalsContact O-OG1 3.11Å; R245-T249 WeakPolarHBondContact O-CG2 3.38Å
246	T	63.9	Low	60.3	Low	76 Å²	76	107.3 Å²	107.3	47%	0.466	62%	0.624	S	S	.	*	H	α-helix	trans	-71.8	-41.2	176.2	51	0	0	0	0	112.2	I242 R243 T248 T249 G250	I242-T246 WeakPolarHBondContact O-CG2 3.33Å; I242-T246 PolarHBondContact O-N 2.83Å; I242-T246 PolarHBondContact O-OG1 3.28Å; R243-T246 WeakPolarHBondContact CA-OG1 3.47Å; R243-T246 PolarHBondContact O-N 3.26Å; R243-T246 VanDerWaalsContact O-N 3.13Å; R243-T246 PolarHBondContact O-OG1 3.37Å; T246-T248 PolarHBondContact O-N 3.13Å; T246-T249 PolarHBondContact O-N 3.1Å; T246-T249 VanDerWaalsContact O-N 3.14Å; T246-T249 PolarHBondContact O-OG1 3.25Å; T246-G250 PolarHBondContact O-N 3.47Å
247	D	61.1	Low	58.7	Low	123 Å²	123	113.3 Å²	113.3	66%	0.658	67%	0.673	S	S	*	*	H	α-helix	trans	-68.4	-34.3	-177.9	-75.4	-13.4	0	0	0	112.2	R243 T249 G250	R243-D247 WeakPolarHBondContact O-CB 3.49Å; R243-D247 PolarHBondContact O-N 3.37Å; D247-T249 VanDerWaalsContact C-N 3.26Å; D247-T249 PolarHBondContact O-N 2.95Å; D247-G250 PolarHBondContact O-N 3.02Å
248	T	57	Low	57.6	Low	117 Å²	117	113.9 Å²	113.9	72%	0.718	68%	0.68	S	S	*	*	H	α-helix	trans	-69.9	-20	174.7	51	0	0	0	0	113.7	E244 R245 T246	E244-T248 WeakPolarHBondContact O-CG2 3.21Å; E244-T248 PolarHBondContact O-N 3.35Å; E244-T248 VanDerWaalsContact O-N 3.12Å; E244-T248 PolarHBondContact O-OG1 3.47Å; R245-T248 PolarHBondContact O-OG1 2.96Å; R245-T248 VanDerWaalsContact O-OG1 3.11Å; T246-T248 PolarHBondContact O-N 3.13Å
249	T	53.1	Low	56.6	Low	119 Å²	119	114.4 Å²	114.4	73%	0.73	69%	0.686	S	S	*	*	H	α-helix	trans	-90.8	-13.5	175.9	62	0	0	0	0	114.3	R245 T246 D247	R245-T249 WeakPolarHBondContact O-CG2 3.38Å; T246-T249 PolarHBondContact O-N 3.1Å; T246-T249 VanDerWaalsContact O-N 3.14Å; T246-T249 PolarHBondContact O-OG1 3.25Å; D247-T249 VanDerWaalsContact C-N 3.26Å; D247-T249 PolarHBondContact O-N 2.95Å
250	G	47	Very low	55.6	Low	66 Å²	66	118.7 Å²	118.7	68%	0.68	71%	0.707	S	S	*	*	S	Bend	trans	-87	-11.8	-175.6	0	0	0	0	0	116.3	T246 D247 K252	T246-G250 PolarHBondContact O-N 3.47Å; D247-G250 PolarHBondContact O-N 3.02Å; G250-K252 PolarHBondContact O-N 3.33Å
251	A	46.8	Very low	54.6	Low	86 Å²	86	120.9 Å²	120.9	71%	0.711	72%	0.724	S	S	*	*			trans	-103.6	60.1	-172	0	0	0	0	0	113.7
252	K	45.3	Very low	53.7	Low	200 Å²	200	123.6 Å²	123.6	87%	0.87	74%	0.742	S	S	*	*			trans	-133	65.7	156	-75.1	-168.5	179.7	179.4	0	109.7	G250	G250-K252 PolarHBondContact O-N 3.33Å
253	G	41	Very low	52.7	Low	73 Å²	73	124.5 Å²	124.5	75%	0.753	76%	0.755	S	S	*	*			trans	-82.6	113.3	163	0	0	0	0	0	109.1
254	D	45.3	Very low	52.2	Low	153 Å²	153	122.6 Å²	122.6	82%	0.818	77%	0.768	S	S	*	*			trans	-55.3	129.6	177.9	-72.7	-44.7	0	0	0	112.2	A256	D254-A256 PolarHBondContact O-N 2.92Å; D254-A256 VanDerWaalsContact O-N 3.15Å
255	P	47.1	Very low	51.3	Low	124 Å²	124	121.5 Å²	121.5	81%	0.805	78%	0.778	S	S	*	*			trans	-77.7	97.2	161.3	28.9	-25.5	0	0	0	108.1	A257	P255-A257 PolarHBondContact O-N 3.45Å
256	A	49.2	Very low	50.5	Low	101 Å²	101	117.6 Å²	117.6	84%	0.835	79%	0.789	S	S	*	*			trans	-61.7	114.8	164.1	0	0	0	0	0	108.7	D254	D254-A256 PolarHBondContact O-N 2.92Å; D254-A256 VanDerWaalsContact O-N 3.15Å
257	A	49.8	Very low	49.3	Very low	173 Å²	173	121.4 Å²	121.4	100%	1.43	82%	0.819	S	S	*	*			trans	-83.3	0	169.5	0	0	0	0	0	111.2	P255	P255-A257 PolarHBondContact O-N 3.45Å

Retrieved 257 of 257 residues in 701.3 ms (Link to these results)

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