A0A3Q0KFD8_SCHMA Loading...

Tektin

AlphaFold DB , UniProt , Accession A0A3Q0KFD8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 439 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	39	Very low	56.6	Low	250 Å²	250	146.6 Å²	146.6	100%	1.232	82%	0.816	S	S	*	*				0	100.2	0	-77.1	-149.5	-96.2	0	0	109.4
2	S	44.8	Very low	58.5	Low	118 Å²	118	144.6 Å²	144.6	83%	0.825	80%	0.796	S	S	*	*			trans	-175.2	112.1	138.4	-167.3	0	0	0	0	106.9	L4	S2-L4 PolarHBondContact O-N 3.19Å
3	T	43.3	Very low	60.4	Low	135 Å²	135	139.7 Å²	139.7	83%	0.828	78%	0.775	S	S	*	*			trans	-68.4	113.9	178	37.6	0	0	0	0	110.6
4	L	52	Low	62.2	Low	169 Å²	169	135.4 Å²	135.4	89%	0.885	76%	0.757	S	S	*	*			trans	-99.3	99.3	149.5	-92.3	140.7	0	0	0	106.2	S2 K6	S2-L4 PolarHBondContact O-N 3.19Å; L4-K6 PolarHBondContact O-N 3.31Å
5	A	53.2	Low	63.5	Low	94 Å²	94	131.7 Å²	131.7	78%	0.777	73%	0.734	S	S	*	*			trans	-54.1	103.4	169.7	0	0	0	0	0	107.7	P7	A5-P7 WeakPolarHBondContact O-CD 3.35Å
6	K	54.6	Low	64.8	Low	193 Å²	193	133.3 Å²	133.3	84%	0.839	73%	0.726	S	S	*	*			trans	-65.8	123.1	-179.8	-151.8	174.2	-172.8	175.2	0	106.3	L4 G8	L4-K6 PolarHBondContact O-N 3.31Å; K6-G8 PolarHBondContact O-N 3.42Å
7	P	58.8	Low	66.1	Low	102 Å²	102	133.2 Å²	133.2	66%	0.662	72%	0.717	S	S	*	*			trans	-51.8	129	-178.1	-23.8	31	0	0	0	110	A5 I9	A5-P7 WeakPolarHBondContact O-CD 3.35Å; P7-I9 PolarHBondContact O-N 3.22Å
8	G	59.8	Low	67.3	Low	86 Å²	86	131.1 Å²	131.1	89%	0.887	71%	0.71	S	S	*	*	S	Bend	trans	-67	-1.1	-175.2	0	0	0	0	0	114.8	K6	K6-G8 PolarHBondContact O-N 3.42Å
9	I	70.2	Confident	68.4	Low	110 Å²	110	129.3 Å²	129.3	56%	0.564	70%	0.7	S	S	*	*			trans	-95	107.4	178.8	-58.7	170.4	0	0	0	107.9	P7 Y11	P7-I9 PolarHBondContact O-N 3.22Å; I9-Y11 HydrophobicContact CG2-CD1 4.05Å; I9-Y11 HydrophobicContact CG2-CE1 3.66Å; I9-Y11 HydrophobicContact CG2-CE2 4.17Å; I9-Y11 HydrophobicContact CG2-CG 4.47Å
10	K	71.1	Confident	69.2	Low	194 Å²	194	125.4 Å²	125.4	84%	0.843	68%	0.683	S	S	*	*			trans	-90.2	109.2	165.7	-72.4	-175	179.1	178.3	0	108.2
11	Y	75.7	Confident	70.3	Confident	162 Å²	162	126.9 Å²	126.9	64%	0.635	68%	0.683	S	S	*	*			trans	-67.1	140.5	175.1	-61	-75.8	0	0	0	110.6	I9 D15	I9-Y11 HydrophobicContact CG2-CD1 4.05Å; I9-Y11 HydrophobicContact CG2-CE1 3.66Å; I9-Y11 HydrophobicContact CG2-CE2 4.17Å; I9-Y11 HydrophobicContact CG2-CG 4.47Å; Y11-D15 HydrophobicContact CD1-CB 4.32Å
12	Q	80.1	Confident	72.7	Confident	122 Å²	122	117.3 Å²	117.3	57%	0.57	64%	0.643	S	S	*	*			trans	-75.5	155.7	175.2	-64.3	-64.8	-32.1	0	0	109.6	P14 D15 W16	Q12-P14 VanDerWaalsContact C-N 3.26Å; Q12-P14 VanDerWaalsContact O-N 3.15Å; Q12-D15 WeakPolarHBondContact CB-OD2 3.06Å; Q12-D15 PolarHBondContact N-OD2 3.2Å; Q12-D15 WeakPolarHBondContact O-CB 3.29Å; Q12-D15 PolarHBondContact O-N 3.07Å; Q12-W16 PolarHBondContact O-N 3.27Å; Q12-W16 VanDerWaalsContact O-N 3.13Å
13	P	82.3	Confident	74.8	Confident	81 Å²	81	116.4 Å²	116.4	53%	0.526	63%	0.629	S	S	.	*	H	α-helix	trans	-49.1	-39.7	177.3	-26.6	33.7	0	0	0	114.5	D15 W16 F17	P13-D15 PolarHBondContact O-N 3.44Å; P13-W16 WeakPolarHBondContact O-CB 3.37Å; P13-W16 PolarHBondContact O-N 3.43Å; P13-F17 HydrophobicContact CB-CE2 4.5Å; P13-F17 WeakPolarHBondContact O-CD2 3.47Å; P13-F17 PolarHBondContact O-N 3.05Å
14	P	85.9	Confident	77	Confident	80 Å²	80	113.6 Å²	113.6	52%	0.519	62%	0.615	S	S	.	*	H	α-helix	trans	-62	-36.6	174.1	-23.3	35.3	0	0	0	114.1	Q12 W16 F17 T18	Q12-P14 VanDerWaalsContact C-N 3.26Å; Q12-P14 VanDerWaalsContact O-N 3.15Å; P14-W16 VanDerWaalsContact C-N 3.32Å; P14-F17 PolarHBondContact O-N 2.9Å; P14-T18 WeakPolarHBondContact O-CB 3.47Å; P14-T18 PolarHBondContact O-N 3.25Å; P14-T18 PolarHBondContact O-OG1 2.69Å
15	D	82.5	Confident	78.8	Confident	79 Å²	79	107.1 Å²	107.1	42%	0.422	59%	0.586	S	S	.	*	H	α-helix	trans	-66.6	-38.4	176.5	-55.8	-38.1	0	0	0	110.6	Y11 Q12 P13 T18 N19	Y11-D15 HydrophobicContact CD1-CB 4.32Å; Q12-D15 WeakPolarHBondContact CB-OD2 3.06Å; Q12-D15 PolarHBondContact N-OD2 3.2Å; Q12-D15 WeakPolarHBondContact O-CB 3.29Å; Q12-D15 PolarHBondContact O-N 3.07Å; P13-D15 PolarHBondContact O-N 3.44Å; D15-T18 PolarHBondContact O-N 3.37Å; D15-N19 WeakPolarHBondContact O-CB 3.5Å; D15-N19 PolarHBondContact O-N 3.24Å
16	W	84.2	Confident	80.6	Confident	157 Å²	157	106 Å²	106	60%	0.595	57%	0.567	S	S	*	*	H	α-helix	trans	-65.1	-46	174.2	-175.8	91.4	0	0	0	111.6	Q12 P13 P14 T18 N19 S20	Q12-W16 PolarHBondContact O-N 3.27Å; Q12-W16 VanDerWaalsContact O-N 3.13Å; P13-W16 WeakPolarHBondContact O-CB 3.37Å; P13-W16 PolarHBondContact O-N 3.43Å; P14-W16 VanDerWaalsContact C-N 3.32Å; W16-T18 VanDerWaalsContact C-N 3.32Å; W16-T18 PolarHBondContact O-N 2.67Å; W16-N19 PolarHBondContact O-N 3.3Å; W16-S20 VanDerWaalsContact O-CB 3.23Å; W16-S20 WeakPolarHBondContact O-CB 3.42Å; W16-S20 PolarHBondContact O-N 3.42Å
17	F	87.1	Confident	82.4	Confident	132 Å²	132	99.8 Å²	99.8	58%	0.579	55%	0.548	S	S	*	.	H	α-helix	trans	-61.8	-40.4	175.2	-77.4	-66.7	0	0	0	111.8	P13 P14 F21	P13-F17 HydrophobicContact CB-CE2 4.5Å; P13-F17 WeakPolarHBondContact O-CD2 3.47Å; P13-F17 PolarHBondContact O-N 3.05Å; P14-F17 PolarHBondContact O-N 2.9Å; F17-F21 WeakPolarHBondContact O-CB 3.32Å; F17-F21 PolarHBondContact O-N 2.86Å
18	T	87.5	Confident	84	Confident	95 Å²	95	98.5 Å²	98.5	58%	0.583	53%	0.533	S	S	*	.	H	α-helix	trans	-65.2	-46.4	177.8	-56.1	0	0	0	0	111.4	P14 D15 W16 F21 A22	P14-T18 WeakPolarHBondContact O-CB 3.47Å; P14-T18 PolarHBondContact O-N 3.25Å; P14-T18 PolarHBondContact O-OG1 2.69Å; D15-T18 PolarHBondContact O-N 3.37Å; W16-T18 VanDerWaalsContact C-N 3.32Å; W16-T18 PolarHBondContact O-N 2.67Å; T18-F21 PolarHBondContact O-N 3.47Å; T18-A22 VanDerWaalsContact O-CB 3.23Å; T18-A22 WeakPolarHBondContact O-CB 3.41Å; T18-A22 PolarHBondContact O-N 3.3Å
19	N	87.4	Confident	85.5	Confident	97 Å²	97	101.9 Å²	101.9	52%	0.519	52%	0.519	S	S	.	.	H	α-helix	trans	-66	-42.7	177.7	-175.4	42.3	0	0	0	111.9	D15 W16 A22 L23	D15-N19 WeakPolarHBondContact O-CB 3.5Å; D15-N19 PolarHBondContact O-N 3.24Å; W16-N19 PolarHBondContact O-N 3.3Å; N19-A22 PolarHBondContact O-N 2.7Å; N19-L23 WeakPolarHBondContact O-CB 3.42Å; N19-L23 WeakPolarHBondContact O-CG 3.45Å; N19-L23 PolarHBondContact O-N 2.94Å
20	S	85.8	Confident	86.6	Confident	52 Å²	52	102.3 Å²	102.3	36%	0.364	52%	0.518	S	S	.	.	H	α-helix	trans	-62.9	-42.8	176.6	-170.2	0	0	0	0	111.5	W16 S24	W16-S20 VanDerWaalsContact O-CB 3.23Å; W16-S20 WeakPolarHBondContact O-CB 3.42Å; W16-S20 PolarHBondContact O-N 3.42Å; S20-S24 WeakPolarHBondContact O-CB 3.47Å; S20-S24 PolarHBondContact O-N 2.91Å
21	F	90.5	Very high	87.7	Confident	156 Å²	156	100.8 Å²	100.8	68%	0.684	51%	0.507	S	S	*	.	H	α-helix	trans	-65.4	-43.5	174.2	-175.1	-95.4	0	0	0	111.9	F17 T18 S24 A25	F17-F21 WeakPolarHBondContact O-CB 3.32Å; F17-F21 PolarHBondContact O-N 2.86Å; T18-F21 PolarHBondContact O-N 3.47Å; F21-S24 PolarHBondContact O-N 3.35Å; F21-A25 HydrophobicContact CE1-CB 4.41Å; F21-A25 VanDerWaalsContact O-CB 3.26Å; F21-A25 WeakPolarHBondContact O-CB 3.31Å; F21-A25 PolarHBondContact O-N 3.1Å
22	A	89.3	Confident	88.6	Confident	49 Å²	49	97.8 Å²	97.8	41%	0.405	50%	0.499	S	S	.	.	H	α-helix	trans	-63.2	-42.3	177.6	0	0	0	0	0	112.1	T18 N19 N26	T18-A22 VanDerWaalsContact O-CB 3.23Å; T18-A22 WeakPolarHBondContact O-CB 3.41Å; T18-A22 PolarHBondContact O-N 3.3Å; N19-A22 PolarHBondContact O-N 2.7Å; A22-N26 VanDerWaalsContact O-CB 3.23Å; A22-N26 WeakPolarHBondContact O-CB 3.46Å; A22-N26 PolarHBondContact O-N 3.42Å
23	L	89.4	Confident	89.3	Confident	99 Å²	99	94 Å²	94	52%	0.518	49%	0.489	S	S	.	.	H	α-helix	trans	-59.9	-50.4	172.4	-85.5	158.1	0	0	0	110.8	N19 N26 S27	N19-L23 WeakPolarHBondContact O-CB 3.42Å; N19-L23 WeakPolarHBondContact O-CG 3.45Å; N19-L23 PolarHBondContact O-N 2.94Å; L23-N26 PolarHBondContact O-N 2.89Å; L23-S27 WeakPolarHBondContact O-CB 3.46Å; L23-S27 PolarHBondContact O-N 2.89Å; L23-S27 PolarHBondContact O-OG 3.48Å; L23-S27 VanDerWaalsContact O-OG 3.05Å
24	S	89	Confident	89.9	Confident	76 Å²	76	93.1 Å²	93.1	53%	0.531	48%	0.484	S	S	.	.	H	α-helix	trans	-59.9	-47.2	178	-175.3	0	0	0	0	112.5	S20 F21 N26 S27 Q28	S20-S24 WeakPolarHBondContact O-CB 3.47Å; S20-S24 PolarHBondContact O-N 2.91Å; F21-S24 PolarHBondContact O-N 3.35Å; S24-N26 PolarHBondContact O-N 2.92Å; S24-S27 PolarHBondContact O-N 3.12Å; S24-Q28 WeakPolarHBondContact O-CB 3.35Å; S24-Q28 PolarHBondContact O-N 3.38Å
25	A	90.6	Very high	90.4	Very high	33 Å²	33	94.3 Å²	94.3	27%	0.273	48%	0.483	S	S	.	.	H	α-helix	trans	-65.9	-36.4	178.2	0	0	0	0	0	112.4	F21 R29	F21-A25 HydrophobicContact CE1-CB 4.41Å; F21-A25 VanDerWaalsContact O-CB 3.26Å; F21-A25 WeakPolarHBondContact O-CB 3.31Å; F21-A25 PolarHBondContact O-N 3.1Å; A25-R29 WeakPolarHBondContact O-CG 3.34Å; A25-R29 PolarHBondContact O-N 3.11Å
26	N	91.6	Very high	91	Very high	71 Å²	71	96 Å²	96	38%	0.38	49%	0.488	S	S	.	.	H	α-helix	trans	-70	-43.3	173.4	-168.8	39.9	0	0	0	111.4	A22 L23 S24 Q28 R29 Q30	A22-N26 VanDerWaalsContact O-CB 3.23Å; A22-N26 WeakPolarHBondContact O-CB 3.46Å; A22-N26 PolarHBondContact O-N 3.42Å; L23-N26 PolarHBondContact O-N 2.89Å; S24-N26 PolarHBondContact O-N 2.92Å; N26-Q28 VanDerWaalsContact C-N 3.29Å; N26-Q28 PolarHBondContact O-N 2.98Å; N26-R29 PolarHBondContact O-N 2.86Å; N26-Q30 WeakPolarHBondContact O-CB 3.47Å; N26-Q30 VanDerWaalsContact O-CG 3.28Å; N26-Q30 WeakPolarHBondContact O-CG 3.46Å; N26-Q30 PolarHBondContact O-N 3.16Å
27	S	91.3	Very high	91.6	Very high	63 Å²	63	93.4 Å²	93.4	44%	0.441	49%	0.485	S	S	.	.	H	α-helix	trans	-59.1	-40.3	174	-66.7	0	0	0	0	111.7	L23 S24 R31	L23-S27 WeakPolarHBondContact O-CB 3.46Å; L23-S27 PolarHBondContact O-N 2.89Å; L23-S27 PolarHBondContact O-OG 3.48Å; L23-S27 VanDerWaalsContact O-OG 3.05Å; S24-S27 PolarHBondContact O-N 3.12Å; S27-R31 WeakPolarHBondContact O-CB 3.45Å; S27-R31 VanDerWaalsContact O-CG 3.3Å; S27-R31 WeakPolarHBondContact O-CG 3.35Å; S27-R31 PolarHBondContact O-N 3.48Å
28	Q	92.4	Very high	92	Very high	74 Å²	74	93.4 Å²	93.4	35%	0.346	48%	0.481	S	S	.	.	H	α-helix	trans	-63.2	-51.1	174.6	-175.8	61.5	18	0	0	111.7	S24 N26 Q30 R31 E32	S24-Q28 WeakPolarHBondContact O-CB 3.35Å; S24-Q28 PolarHBondContact O-N 3.38Å; N26-Q28 VanDerWaalsContact C-N 3.29Å; N26-Q28 PolarHBondContact O-N 2.98Å; Q28-Q30 VanDerWaalsContact C-N 3.32Å; Q28-Q30 PolarHBondContact O-N 3.28Å; Q28-R31 PolarHBondContact O-N 2.65Å; Q28-R31 VanDerWaalsContact O-N 3.1Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.27Å; Q28-E32 PolarHBondContact NE2-OE1 3.45Å; Q28-E32 WeakPolarHBondContact O-CG 3.44Å; Q28-E32 PolarHBondContact O-N 3.41Å
29	R	92.7	Very high	92.4	Very high	157 Å²	157	94.1 Å²	94.1	59%	0.592	48%	0.478	S	S	*	.	H	α-helix	trans	-57.3	-42.1	176.9	-78.1	-174.4	-70.9	157.7	-3.3	112.8	A25 N26 E32 A33	A25-R29 WeakPolarHBondContact O-CG 3.34Å; A25-R29 PolarHBondContact O-N 3.11Å; N26-R29 PolarHBondContact O-N 2.86Å; R29-E32 PolarHBondContact O-N 3.22Å; R29-A33 WeakPolarHBondContact O-CB 3.47Å; R29-A33 PolarHBondContact O-N 3.16Å
30	Q	93.2	Very high	92.9	Very high	120 Å²	120	94.4 Å²	94.4	56%	0.561	48%	0.476	S	S	*	.	H	α-helix	trans	-67	-37.4	177	-68.8	-64.3	-22.9	0	0	112.1	N26 Q28 S34	N26-Q30 WeakPolarHBondContact O-CB 3.47Å; N26-Q30 VanDerWaalsContact O-CG 3.28Å; N26-Q30 WeakPolarHBondContact O-CG 3.46Å; N26-Q30 PolarHBondContact O-N 3.16Å; Q28-Q30 VanDerWaalsContact C-N 3.32Å; Q28-Q30 PolarHBondContact O-N 3.28Å; Q30-S34 VanDerWaalsContact O-CB 3.24Å; Q30-S34 WeakPolarHBondContact O-CB 3.29Å; Q30-S34 PolarHBondContact O-N 3.41Å
31	R	93.5	Very high	93.4	Very high	161 Å²	161	95.8 Å²	95.8	61%	0.608	48%	0.483	S	S	*	.	H	α-helix	trans	-65.3	-44.9	174.1	-76	-170	-59.9	-173.8	1.6	112	S27 Q28 S34 E35	S27-R31 WeakPolarHBondContact O-CB 3.45Å; S27-R31 VanDerWaalsContact O-CG 3.3Å; S27-R31 WeakPolarHBondContact O-CG 3.35Å; S27-R31 PolarHBondContact O-N 3.48Å; Q28-R31 PolarHBondContact O-N 2.65Å; Q28-R31 VanDerWaalsContact O-N 3.1Å; R31-S34 PolarHBondContact O-N 2.85Å; R31-E35 WeakPolarHBondContact O-CB 3.42Å; R31-E35 PolarHBondContact O-N 2.97Å
32	E	94.7	Very high	93.7	Very high	100 Å²	100	94.6 Å²	94.6	47%	0.467	47%	0.473	S	S	.	.	H	α-helix	trans	-62.5	-47.6	177.5	-73	169	-176.5	0	0	111.4	Q28 R29 S34 E35 Q36	Q28-E32 WeakPolarHBondContact CG-OE1 3.27Å; Q28-E32 PolarHBondContact NE2-OE1 3.45Å; Q28-E32 WeakPolarHBondContact O-CG 3.44Å; Q28-E32 PolarHBondContact O-N 3.41Å; R29-E32 PolarHBondContact O-N 3.22Å; E32-S34 VanDerWaalsContact C-N 3.34Å; E32-S34 PolarHBondContact O-N 3.34Å; E32-E35 PolarHBondContact O-N 3.48Å; E32-Q36 WeakPolarHBondContact O-CB 3.4Å; E32-Q36 PolarHBondContact O-N 2.96Å
33	A	94.6	Very high	94	Very high	42 Å²	42	96 Å²	96	35%	0.347	48%	0.48	S	S	.	.	H	α-helix	trans	-60.7	-42.4	175.4	0	0	0	0	0	112	R29 Q36 I37	R29-A33 WeakPolarHBondContact O-CB 3.47Å; R29-A33 PolarHBondContact O-N 3.16Å; A33-Q36 PolarHBondContact O-N 2.98Å; A33-I37 VanDerWaalsContact O-CG1 3.31Å; A33-I37 WeakPolarHBondContact O-CG1 3.22Å; A33-I37 PolarHBondContact O-N 2.96Å
34	S	95.6	Very high	94.4	Very high	62 Å²	62	97.3 Å²	97.3	43%	0.434	49%	0.487	S	S	.	.	H	α-helix	trans	-64.1	-40.8	175.7	-173.7	0	0	0	0	112.4	Q30 R31 E32 R38	Q30-S34 VanDerWaalsContact O-CB 3.24Å; Q30-S34 WeakPolarHBondContact O-CB 3.29Å; Q30-S34 PolarHBondContact O-N 3.41Å; R31-S34 PolarHBondContact O-N 2.85Å; E32-S34 VanDerWaalsContact C-N 3.34Å; E32-S34 PolarHBondContact O-N 3.34Å; S34-R38 WeakPolarHBondContact O-CB 3.49Å; S34-R38 VanDerWaalsContact O-CG 3.24Å; S34-R38 WeakPolarHBondContact O-CG 3.27Å; S34-R38 PolarHBondContact O-N 3.32Å
35	E	95.2	Very high	94.7	Very high	105 Å²	105	101.6 Å²	101.6	49%	0.491	49%	0.492	S	S	.	.	H	α-helix	trans	-63.7	-46.3	176.5	179.1	167.3	-167.8	0	0	111.3	R31 E32 R38 Q39	R31-E35 WeakPolarHBondContact O-CB 3.42Å; R31-E35 PolarHBondContact O-N 2.97Å; E32-E35 PolarHBondContact O-N 3.48Å; E35-R38 WeakPolarHBondContact O-CB 3.4Å; E35-R38 PolarHBondContact O-N 3.32Å; E35-Q39 HydrophobicContact CG-CG 4.38Å; E35-Q39 WeakPolarHBondContact O-CG 3.33Å; E35-Q39 PolarHBondContact O-N 3.25Å; E35-Q39 PolarHBondContact OE1-NE2 3.48Å; E35-Q39 VanDerWaalsContact OE1-NE2 3.17Å
36	Q	95.9	Very high	95	Very high	115 Å²	115	104.9 Å²	104.9	54%	0.537	50%	0.504	S	S	.	.	H	α-helix	trans	-58.5	-51.6	176.5	-177.5	174.3	-0.9	0	0	111.3	E32 A33 R38 Q39 E40	E32-Q36 WeakPolarHBondContact O-CB 3.4Å; E32-Q36 PolarHBondContact O-N 2.96Å; A33-Q36 PolarHBondContact O-N 2.98Å; Q36-R38 VanDerWaalsContact C-N 3.26Å; Q36-R38 PolarHBondContact O-N 2.95Å; Q36-Q39 PolarHBondContact O-N 3.26Å; Q36-Q39 VanDerWaalsContact O-N 3.11Å; Q36-E40 HydrophobicContact CG-CG 4.38Å; Q36-E40 VanDerWaalsContact CG-OE1 3.26Å; Q36-E40 WeakPolarHBondContact CG-OE1 3.48Å; Q36-E40 PolarHBondContact NE2-OE1 3.04Å; Q36-E40 WeakPolarHBondContact O-CB 3.32Å; Q36-E40 WeakPolarHBondContact O-CG 3.2Å; Q36-E40 PolarHBondContact O-N 3.45Å
37	I	96	Very high	95.3	Very high	102 Å²	102	104.1 Å²	104.1	52%	0.523	51%	0.507	S	S	.	.	H	α-helix	trans	-56.9	-41.7	176.9	-68.9	167.3	0	0	0	110.9	A33 T41	A33-I37 VanDerWaalsContact O-CG1 3.31Å; A33-I37 WeakPolarHBondContact O-CG1 3.22Å; A33-I37 PolarHBondContact O-N 2.96Å; I37-T41 WeakPolarHBondContact O-CB 3.37Å; I37-T41 PolarHBondContact O-N 3.39Å; I37-T41 PolarHBondContact O-OG1 3.38Å
38	R	96.3	Very high	95.5	Very high	132 Å²	132	103.3 Å²	103.3	50%	0.498	51%	0.505	S	S	.	.	H	α-helix	trans	-64.9	-42.3	177.9	-78.9	171.7	53.6	-157.6	-9.9	112.1	S34 E35 Q36 R42	S34-R38 WeakPolarHBondContact O-CB 3.49Å; S34-R38 VanDerWaalsContact O-CG 3.24Å; S34-R38 WeakPolarHBondContact O-CG 3.27Å; S34-R38 PolarHBondContact O-N 3.32Å; E35-R38 WeakPolarHBondContact O-CB 3.4Å; E35-R38 PolarHBondContact O-N 3.32Å; Q36-R38 VanDerWaalsContact C-N 3.26Å; Q36-R38 PolarHBondContact O-N 2.95Å; R38-R42 WeakPolarHBondContact O-CB 3.46Å; R38-R42 WeakPolarHBondContact O-CD 3.46Å; R38-R42 WeakPolarHBondContact O-CG 3.34Å; R38-R42 PolarHBondContact O-N 2.89Å
39	Q	95.8	Very high	95.6	Very high	110 Å²	110	102.7 Å²	102.7	51%	0.514	51%	0.512	S	S	.	.	H	α-helix	trans	-66.7	-46.2	178.1	-70.7	-174.2	9.4	0	0	110.7	E35 Q36 T41 R42 S43	E35-Q39 HydrophobicContact CG-CG 4.38Å; E35-Q39 WeakPolarHBondContact O-CG 3.33Å; E35-Q39 PolarHBondContact O-N 3.25Å; E35-Q39 PolarHBondContact OE1-NE2 3.48Å; E35-Q39 VanDerWaalsContact OE1-NE2 3.17Å; Q36-Q39 PolarHBondContact O-N 3.26Å; Q36-Q39 VanDerWaalsContact O-N 3.11Å; Q39-T41 PolarHBondContact O-N 3.49Å; Q39-R42 PolarHBondContact O-N 2.69Å; Q39-S43 WeakPolarHBondContact O-CB 3.37Å; Q39-S43 PolarHBondContact O-N 2.92Å
40	E	96.6	Very high	95.8	Very high	104 Å²	104	100.2 Å²	100.2	49%	0.486	51%	0.51	S	S	.	.	H	α-helix	trans	-59.9	-45.6	174.9	-71.8	174.2	-173.6	0	0	111.8	Q36 R42 S43 L44	Q36-E40 HydrophobicContact CG-CG 4.38Å; Q36-E40 VanDerWaalsContact CG-OE1 3.26Å; Q36-E40 WeakPolarHBondContact CG-OE1 3.48Å; Q36-E40 PolarHBondContact NE2-OE1 3.04Å; Q36-E40 WeakPolarHBondContact O-CB 3.32Å; Q36-E40 WeakPolarHBondContact O-CG 3.2Å; Q36-E40 PolarHBondContact O-N 3.45Å; E40-R42 VanDerWaalsContact C-N 3.33Å; E40-R42 PolarHBondContact O-N 3.34Å; E40-S43 PolarHBondContact O-N 2.92Å; E40-L44 VanDerWaalsContact O-CB 3.31Å; E40-L44 WeakPolarHBondContact O-CB 3.46Å; E40-L44 PolarHBondContact O-N 3.3Å
41	T	96.6	Very high	95.9	Very high	81 Å²	81	100.3 Å²	100.3	50%	0.497	51%	0.509	S	S	.	.	H	α-helix	trans	-60.3	-42.5	176.7	-61.5	0	0	0	0	111.5	I37 Q39 R45	I37-T41 WeakPolarHBondContact O-CB 3.37Å; I37-T41 PolarHBondContact O-N 3.39Å; I37-T41 PolarHBondContact O-OG1 3.38Å; Q39-T41 PolarHBondContact O-N 3.49Å; T41-R45 VanDerWaalsContact O-CB 3.29Å; T41-R45 WeakPolarHBondContact O-CB 3.42Å; T41-R45 PolarHBondContact O-N 2.96Å
42	R	96.9	Very high	96	Very high	131 Å²	131	97.2 Å²	97.2	49%	0.494	51%	0.508	S	S	.	.	H	α-helix	trans	-66.1	-45.1	177.3	-74.4	167.2	-179.7	-173.2	-4	111.2	R38 Q39 E40 R45 L46	R38-R42 WeakPolarHBondContact O-CB 3.46Å; R38-R42 WeakPolarHBondContact O-CD 3.46Å; R38-R42 WeakPolarHBondContact O-CG 3.34Å; R38-R42 PolarHBondContact O-N 2.89Å; Q39-R42 PolarHBondContact O-N 2.69Å; E40-R42 VanDerWaalsContact C-N 3.33Å; E40-R42 PolarHBondContact O-N 3.34Å; R42-R45 PolarHBondContact O-N 3.48Å; R42-L46 WeakPolarHBondContact O-CG 3.41Å; R42-L46 PolarHBondContact O-N 3.44Å
43	S	96.4	Very high	95.9	Very high	79 Å²	79	99.5 Å²	99.5	55%	0.552	52%	0.516	S	S	*	.	H	α-helix	trans	-59.3	-50.6	176.8	-175.8	0	0	0	0	110.8	Q39 E40 R45 L46 A47	Q39-S43 WeakPolarHBondContact O-CB 3.37Å; Q39-S43 PolarHBondContact O-N 2.92Å; E40-S43 PolarHBondContact O-N 2.92Å; S43-R45 PolarHBondContact O-N 2.86Å; S43-L46 PolarHBondContact O-N 2.9Å; S43-A47 WeakPolarHBondContact O-CB 3.47Å; S43-A47 PolarHBondContact O-N 2.74Å
44	L	96.8	Very high	96.1	Very high	125 Å²	125	104.8 Å²	104.8	65%	0.654	53%	0.527	S	S	*	.	H	α-helix	trans	-59.8	-43.8	178.4	-179.1	62	0	0	0	112	E40 L46 A47 A48	E40-L44 VanDerWaalsContact O-CB 3.31Å; E40-L44 WeakPolarHBondContact O-CB 3.46Å; E40-L44 PolarHBondContact O-N 3.3Å; L44-L46 PolarHBondContact O-N 3.49Å; L44-A47 PolarHBondContact O-N 2.94Å; L44-A48 WeakPolarHBondContact O-CB 3.43Å; L44-A48 PolarHBondContact O-N 2.98Å
45	R	96.8	Very high	96.1	Very high	167 Å²	167	104.5 Å²	104.5	63%	0.63	52%	0.521	S	S	*	.	H	α-helix	trans	-62.4	-42.9	178.2	-175.8	177.6	62.7	105.7	4.8	112.2	T41 R42 S43 A49	T41-R45 VanDerWaalsContact O-CB 3.29Å; T41-R45 WeakPolarHBondContact O-CB 3.42Å; T41-R45 PolarHBondContact O-N 2.96Å; R42-R45 PolarHBondContact O-N 3.48Å; S43-R45 PolarHBondContact O-N 2.86Å; R45-A49 WeakPolarHBondContact O-CB 3.47Å; R45-A49 PolarHBondContact O-N 2.95Å
46	L	96.2	Very high	96	Very high	102 Å²	102	103.9 Å²	103.9	53%	0.534	52%	0.518	S	S	.	.	H	α-helix	trans	-68.2	-45.2	177.2	-70.7	173.7	0	0	0	111.3	R42 S43 L44 A48 A49 L50	R42-L46 WeakPolarHBondContact O-CG 3.41Å; R42-L46 PolarHBondContact O-N 3.44Å; S43-L46 PolarHBondContact O-N 2.9Å; L44-L46 PolarHBondContact O-N 3.49Å; L46-A48 PolarHBondContact O-N 3.37Å; L46-A49 PolarHBondContact O-N 3.48Å; L46-L50 WeakPolarHBondContact O-CB 3.29Å; L46-L50 WeakPolarHBondContact O-CG 3.44Å; L46-L50 PolarHBondContact O-N 2.9Å
47	A	96.8	Very high	95.9	Very high	54 Å²	54	104.1 Å²	104.1	45%	0.446	52%	0.517	S	S	.	.	H	α-helix	trans	-60.5	-45.2	177.2	0	0	0	0	0	111.6	S43 L44 L50 K51	S43-A47 WeakPolarHBondContact O-CB 3.47Å; S43-A47 PolarHBondContact O-N 2.74Å; L44-A47 PolarHBondContact O-N 2.94Å; A47-L50 PolarHBondContact O-N 3.35Å; A47-K51 VanDerWaalsContact O-CB 3.23Å; A47-K51 WeakPolarHBondContact O-CB 3.46Å; A47-K51 PolarHBondContact O-N 2.68Å
48	A	96.1	Very high	96	Very high	47 Å²	47	102 Å²	102	39%	0.388	51%	0.507	S	S	.	.	H	α-helix	trans	-62.9	-45.6	176.5	0	0	0	0	0	111.8	L44 L46 L50 K51 T52	L44-A48 WeakPolarHBondContact O-CB 3.43Å; L44-A48 PolarHBondContact O-N 2.98Å; L46-A48 PolarHBondContact O-N 3.37Å; A48-L50 PolarHBondContact O-N 3.21Å; A48-K51 PolarHBondContact O-N 2.87Å; A48-T52 WeakPolarHBondContact O-CB 3.29Å; A48-T52 PolarHBondContact O-N 3.41Å; A48-T52 PolarHBondContact O-OG1 3.36Å
49	A	95.1	Very high	95.9	Very high	61 Å²	61	99.5 Å²	99.5	50%	0.504	50%	0.504	S	S	.	.	H	α-helix	trans	-61.6	-43.6	177.8	0	0	0	0	0	112.3	R45 L46 K53	R45-A49 WeakPolarHBondContact O-CB 3.47Å; R45-A49 PolarHBondContact O-N 2.95Å; L46-A49 PolarHBondContact O-N 3.48Å; A49-K53 WeakPolarHBondContact O-CB 3.49Å; A49-K53 PolarHBondContact O-N 3.01Å; A49-K53 VanDerWaalsContact O-N 3.12Å
50	L	95.8	Very high	95.9	Very high	105 Å²	105	96.2 Å²	96.2	55%	0.55	49%	0.491	S	S	.	.	H	α-helix	trans	-64.4	-46.7	175.7	-75.5	170.2	0	0	0	111.4	L46 A47 A48 K53 W54	L46-L50 WeakPolarHBondContact O-CB 3.29Å; L46-L50 WeakPolarHBondContact O-CG 3.44Å; L46-L50 PolarHBondContact O-N 2.9Å; A47-L50 PolarHBondContact O-N 3.35Å; A48-L50 PolarHBondContact O-N 3.21Å; L50-K53 PolarHBondContact O-N 3.24Å; L50-W54 WeakPolarHBondContact O-CB 3.16Å; L50-W54 VanDerWaalsContact O-CD1 3.25Å; L50-W54 PolarHBondContact O-N 3.38Å
51	K	96.8	Very high	95.9	Very high	122 Å²	122	94 Å²	94	53%	0.53	49%	0.485	S	S	.	.	H	α-helix	trans	-60.2	-48.4	-180	-179.8	54.4	174.6	155.5	0	111.4	A47 A48 K53 W54 D55	A47-K51 VanDerWaalsContact O-CB 3.23Å; A47-K51 WeakPolarHBondContact O-CB 3.46Å; A47-K51 PolarHBondContact O-N 2.68Å; A48-K51 PolarHBondContact O-N 2.87Å; K51-K53 VanDerWaalsContact C-N 3.34Å; K51-K53 PolarHBondContact O-N 2.94Å; K51-W54 PolarHBondContact O-N 3.43Å; K51-D55 WeakPolarHBondContact CD-OD2 3.26Å; K51-D55 WeakPolarHBondContact CE-OD1 3.49Å; K51-D55 WeakPolarHBondContact CE-OD2 3.4Å; K51-D55 VanDerWaalsContact NZ-CG 3.34Å; K51-D55 IonicContact NZ-OD1 3.59Å; K51-D55 PolarHBondContact NZ-OD1 3.42Å; K51-D55 IonicContact NZ-OD2 3.18Å; K51-D55 PolarHBondContact NZ-OD2 3.42Å; K51-D55 WeakPolarHBondContact O-CB 3.34Å; K51-D55 VanDerWaalsContact O-CG 3.29Å; K51-D55 PolarHBondContact O-N 2.94Å
52	T	94.4	Very high	95.9	Very high	95 Å²	95	97.2 Å²	97.2	58%	0.583	49%	0.488	S	S	*	.	H	α-helix	trans	-59.6	-43.7	177.3	-59.1	0	0	0	0	111.8	A48 D55 E56	A48-T52 WeakPolarHBondContact O-CB 3.29Å; A48-T52 PolarHBondContact O-N 3.41Å; A48-T52 PolarHBondContact O-OG1 3.36Å; T52-D55 PolarHBondContact O-N 2.93Å; T52-E56 WeakPolarHBondContact O-CB 3.41Å; T52-E56 PolarHBondContact O-N 2.84Å
53	K	94.2	Very high	95.9	Very high	149 Å²	149	93.4 Å²	93.4	65%	0.648	48%	0.477	S	S	*	.	H	α-helix	trans	-65.2	-40.9	178.7	-172.1	175.2	-177.8	179.4	0	112.4	A49 L50 K51 F57	A49-K53 WeakPolarHBondContact O-CB 3.49Å; A49-K53 PolarHBondContact O-N 3.01Å; A49-K53 VanDerWaalsContact O-N 3.12Å; L50-K53 PolarHBondContact O-N 3.24Å; K51-K53 VanDerWaalsContact C-N 3.34Å; K51-K53 PolarHBondContact O-N 2.94Å; K53-F57 WeakPolarHBondContact O-CB 3.46Å; K53-F57 PolarHBondContact O-N 3.27Å
54	W	96.7	Very high	95.9	Very high	153 Å²	153	90.8 Å²	90.8	58%	0.58	46%	0.46	S	S	*	.	H	α-helix	trans	-66.4	-41.1	175.2	-86.6	113.6	0	0	0	112.3	L50 K51 F57 N58	L50-W54 WeakPolarHBondContact O-CB 3.16Å; L50-W54 VanDerWaalsContact O-CD1 3.25Å; L50-W54 PolarHBondContact O-N 3.38Å; K51-W54 PolarHBondContact O-N 3.43Å; W54-F57 HydrophobicContact CE3-CD1 4.25Å; W54-F57 HydrophobicContact CZ3-CD1 4.15Å; W54-F57 HydrophobicContact CZ3-CE1 4.47Å; W54-F57 PolarHBondContact O-N 2.94Å; W54-N58 WeakPolarHBondContact O-CB 3.49Å; W54-N58 PolarHBondContact O-N 3.29Å; W54-N58 PolarHBondContact O-ND2 3.18Å; W54-N58 VanDerWaalsContact O-ND2 3.15Å
55	D	95.8	Very high	95.9	Very high	56 Å²	56	89.4 Å²	89.4	30%	0.299	45%	0.453	S	S	.	.	H	α-helix	trans	-67.3	-39.2	177.8	-71	-21.5	0	0	0	111.6	K51 T52 N59	K51-D55 WeakPolarHBondContact CD-OD2 3.26Å; K51-D55 WeakPolarHBondContact CE-OD1 3.49Å; K51-D55 WeakPolarHBondContact CE-OD2 3.4Å; K51-D55 VanDerWaalsContact NZ-CG 3.34Å; K51-D55 IonicContact NZ-OD1 3.59Å; K51-D55 PolarHBondContact NZ-OD1 3.42Å; K51-D55 IonicContact NZ-OD2 3.18Å; K51-D55 PolarHBondContact NZ-OD2 3.42Å; K51-D55 WeakPolarHBondContact O-CB 3.34Å; K51-D55 VanDerWaalsContact O-CG 3.29Å; K51-D55 PolarHBondContact O-N 2.94Å; T52-D55 PolarHBondContact O-N 2.93Å; D55-N59 WeakPolarHBondContact O-CB 3.47Å; D55-N59 VanDerWaalsContact O-CG 3.26Å; D55-N59 PolarHBondContact O-N 3.02Å; D55-N59 PolarHBondContact O-ND2 3.44Å
56	E	93.6	Very high	95.8	Very high	91 Å²	91	85.1 Å²	85.1	43%	0.425	44%	0.437	S	S	.	.	H	α-helix	trans	-57.6	-55.5	170.8	-178.3	-176.9	-170.9	0	0	110.5	T52 N58 N59 T60	T52-E56 WeakPolarHBondContact O-CB 3.41Å; T52-E56 PolarHBondContact O-N 2.84Å; E56-N58 PolarHBondContact O-N 3.43Å; E56-N59 PolarHBondContact O-N 3.25Å; E56-T60 PolarHBondContact O-N 3.18Å; E56-T60 PolarHBondContact O-OG1 3.45Å; E56-T60 VanDerWaalsContact O-OG1 3.06Å
57	F	95	Very high	95.9	Very high	120 Å²	120	81.3 Å²	81.3	53%	0.526	42%	0.417	S	S	.	.	H	α-helix	trans	-55.1	-51.3	179.7	177.2	-97.2	0	0	0	112.2	K53 W54 N59 T60 T61	K53-F57 WeakPolarHBondContact O-CB 3.46Å; K53-F57 PolarHBondContact O-N 3.27Å; W54-F57 HydrophobicContact CE3-CD1 4.25Å; W54-F57 HydrophobicContact CZ3-CD1 4.15Å; W54-F57 HydrophobicContact CZ3-CE1 4.47Å; W54-F57 PolarHBondContact O-N 2.94Å; F57-N59 VanDerWaalsContact C-N 3.3Å; F57-N59 PolarHBondContact O-N 3.02Å; F57-T60 PolarHBondContact O-N 2.99Å; F57-T61 PolarHBondContact O-N 3.36Å; F57-T61 PolarHBondContact O-OG1 2.91Å
58	N	96.8	Very high	95.9	Very high	57 Å²	57	83 Å²	83	31%	0.305	42%	0.419	S	S	.	.	H	α-helix	trans	-60.7	-39	-179	-72.5	-26.9	0	0	0	112.2	W54 E56 T61 R62	W54-N58 WeakPolarHBondContact O-CB 3.49Å; W54-N58 PolarHBondContact O-N 3.29Å; W54-N58 PolarHBondContact O-ND2 3.18Å; W54-N58 VanDerWaalsContact O-ND2 3.15Å; E56-N58 PolarHBondContact O-N 3.43Å; N58-T61 PolarHBondContact O-N 3.49Å; N58-R62 WeakPolarHBondContact O-CG 3.45Å; N58-R62 PolarHBondContact O-N 2.95Å
59	N	95.1	Very high	95.8	Very high	80 Å²	80	82.4 Å²	82.4	43%	0.428	41%	0.414	S	S	.	.	H	α-helix	trans	-76.1	-32.8	179.2	-70.1	-34	0	0	0	112.3	D55 E56 F57 T61 R62 L63	D55-N59 WeakPolarHBondContact O-CB 3.47Å; D55-N59 VanDerWaalsContact O-CG 3.26Å; D55-N59 PolarHBondContact O-N 3.02Å; D55-N59 PolarHBondContact O-ND2 3.44Å; E56-N59 PolarHBondContact O-N 3.25Å; F57-N59 VanDerWaalsContact C-N 3.3Å; F57-N59 PolarHBondContact O-N 3.02Å; N59-T61 VanDerWaalsContact C-N 3.32Å; N59-R62 PolarHBondContact O-N 2.87Å; N59-R62 PolarHBondContact OD1-NH1 2.95Å; N59-L63 WeakPolarHBondContact O-CG 3.32Å; N59-L63 PolarHBondContact O-N 3.47Å
60	T	95.6	Very high	95.9	Very high	41 Å²	41	79.6 Å²	79.6	25%	0.252	39%	0.39	S	S	.	.	H	α-helix	trans	-62	-41.3	169.6	-59.5	0	0	0	0	111.2	E56 F57 L63 A64 Y189	E56-T60 PolarHBondContact O-N 3.18Å; E56-T60 PolarHBondContact O-OG1 3.45Å; E56-T60 VanDerWaalsContact O-OG1 3.06Å; F57-T60 PolarHBondContact O-N 2.99Å; T60-L63 PolarHBondContact O-N 3.36Å; T60-A64 PolarHBondContact O-N 3.15Å; T60-A64 VanDerWaalsContact O-N 3.11Å; T60-Y189 HydrophobicContact CG2-CD2 3.77Å; T60-Y189 HydrophobicContact CG2-CE2 3.51Å
61	T	96.6	Very high	95.9	Very high	57 Å²	57	79.4 Å²	79.4	35%	0.35	39%	0.385	S	S	.	.	H	α-helix	trans	-62	-47.5	173.1	-57	0	0	0	0	111.5	F57 N58 N59 L63 A64 D65	F57-T61 PolarHBondContact O-N 3.36Å; F57-T61 PolarHBondContact O-OG1 2.91Å; N58-T61 PolarHBondContact O-N 3.49Å; N59-T61 VanDerWaalsContact C-N 3.32Å; T61-L63 VanDerWaalsContact C-N 3.27Å; T61-L63 PolarHBondContact O-N 3.35Å; T61-A64 WeakPolarHBondContact O-CA 3.43Å; T61-A64 WeakPolarHBondContact O-CB 3.31Å; T61-A64 PolarHBondContact O-N 3.37Å; T61-D65 VanDerWaalsContact O-CG 3.32Å; T61-D65 PolarHBondContact O-N 3.43Å
62	R	96.9	Very high	95.8	Very high	150 Å²	150	78.4 Å²	78.4	57%	0.566	39%	0.385	S	S	*	.	H	α-helix	trans	-60	-34.6	177.1	-72.1	172.7	-177.2	131.7	2.3	113.5	N58 N59 R66	N58-R62 WeakPolarHBondContact O-CG 3.45Å; N58-R62 PolarHBondContact O-N 2.95Å; N59-R62 PolarHBondContact O-N 2.87Å; N59-R62 PolarHBondContact OD1-NH1 2.95Å; R62-R66 WeakPolarHBondContact O-CB 3.3Å; R62-R66 PolarHBondContact O-N 3.37Å
63	L	96.2	Very high	95.8	Very high	51 Å²	51	75.3 Å²	75.3	27%	0.267	37%	0.365	S	S	.	.	H	α-helix	trans	-65.4	-42.7	173.2	-77.5	171.5	0	0	0	111.2	N59 T60 T61 R66 I67 Q188 Y189	N59-L63 WeakPolarHBondContact O-CG 3.32Å; N59-L63 PolarHBondContact O-N 3.47Å; T60-L63 PolarHBondContact O-N 3.36Å; T61-L63 VanDerWaalsContact C-N 3.27Å; T61-L63 PolarHBondContact O-N 3.35Å; L63-R66 PolarHBondContact O-N 2.89Å; L63-I67 VanDerWaalsContact O-CG1 3.29Å; L63-I67 WeakPolarHBondContact O-CG1 3.4Å; L63-I67 PolarHBondContact O-N 2.88Å; L63-Q188 HydrophobicContact CD1-CB 4.25Å; L63-Y189 HydrophobicContact CB-CD2 4.31Å
64	A	97.1	Very high	95.9	Very high	24 Å²	24	69.6 Å²	69.6	20%	0.198	34%	0.34	C	S	.	.	H	α-helix	trans	-61.5	-49.2	175	0	0	0	0	0	111.6	T60 T61 R66 I67 D68 Y189	T60-A64 PolarHBondContact O-N 3.15Å; T60-A64 VanDerWaalsContact O-N 3.11Å; T61-A64 WeakPolarHBondContact O-CA 3.43Å; T61-A64 WeakPolarHBondContact O-CB 3.31Å; T61-A64 PolarHBondContact O-N 3.37Å; A64-R66 PolarHBondContact O-N 3.22Å; A64-I67 WeakPolarHBondContact O-CB 3.35Å; A64-I67 PolarHBondContact O-N 3.1Å; A64-I67 VanDerWaalsContact O-N 3.09Å; A64-D68 PolarHBondContact O-N 2.96Å; A64-Y189 HydrophobicContact CB-CD2 4.23Å; A64-Y189 HydrophobicContact CB-CE2 3.88Å
65	D	96.6	Very high	95.8	Very high	95 Å²	95	65.8 Å²	65.8	51%	0.508	33%	0.331	S	S	.	.	H	α-helix	trans	-57.4	-37	177.2	-59.8	-22.9	0	0	0	111.5	T61 A69	T61-D65 VanDerWaalsContact O-CG 3.32Å; T61-D65 PolarHBondContact O-N 3.43Å; D65-A69 PolarHBondContact O-N 3.28Å
66	R	95.7	Very high	95.8	Very high	77 Å²	77	66.6 Å²	66.6	29%	0.291	34%	0.335	S	S	.	.	H	α-helix	trans	-69.3	-41.1	177.5	-176.6	57	177.8	169.1	4.6	112.5	R62 L63 A64 D68 A69 I70 D185 W217	R62-R66 WeakPolarHBondContact O-CB 3.3Å; R62-R66 PolarHBondContact O-N 3.37Å; L63-R66 PolarHBondContact O-N 2.89Å; A64-R66 PolarHBondContact O-N 3.22Å; R66-D68 VanDerWaalsContact C-N 3.31Å; R66-A69 PolarHBondContact O-N 3.19Å; R66-I70 HydrophobicContact CG-CD1 4.12Å; R66-I70 WeakPolarHBondContact O-CG1 3.35Å; R66-I70 PolarHBondContact O-N 3.07Å; R66-D185 WeakPolarHBondContact CG-OD2 3.38Å; R66-W217 VanDerWaalsContact NH1-CE3 3.27Å; R66-W217 VanDerWaalsContact NH2-CD2 3.29Å; R66-W217 VanDerWaalsContact NH2-CE2 3.27Å
67	I	97.5	Very high	96	Very high	22 Å²	22	62.3 Å²	62.3	11%	0.113	32%	0.315	C	S	.	.	H	α-helix	trans	-59.2	-45.9	175.1	-69.1	161.3	0	0	0	109.7	L63 A64 I70 K71 M182 D185 I186 Y189	L63-I67 VanDerWaalsContact O-CG1 3.29Å; L63-I67 WeakPolarHBondContact O-CG1 3.4Å; L63-I67 PolarHBondContact O-N 2.88Å; A64-I67 WeakPolarHBondContact O-CB 3.35Å; A64-I67 PolarHBondContact O-N 3.1Å; A64-I67 VanDerWaalsContact O-N 3.09Å; I67-I70 PolarHBondContact O-N 3.16Å; I67-K71 WeakPolarHBondContact O-CB 3.14Å; I67-K71 PolarHBondContact O-N 3.36Å; I67-M182 HydrophobicContact CG2-CG 4.22Å; I67-D185 HydrophobicContact CD1-CB 4.38Å; I67-D185 HydrophobicContact CG1-CB 3.76Å; I67-I186 HydrophobicContact CD1-CB 4.49Å; I67-I186 HydrophobicContact CD1-CG1 3.87Å; I67-I186 HydrophobicContact CG1-CG1 4.15Å; I67-I186 HydrophobicContact CG2-CD1 4.44Å; I67-I186 HydrophobicContact CG2-CG1 4.03Å; I67-Y189 HydrophobicContact CD1-CG 4.22Å
68	D	96.6	Very high	96.1	Very high	90 Å²	90	60.4 Å²	60.4	48%	0.481	31%	0.308	S	S	.	.	H	α-helix	trans	-62.1	-44.6	178.2	-71.7	-24.1	0	0	0	111.5	A64 R66 I70 K71 D72	A64-D68 PolarHBondContact O-N 2.96Å; R66-D68 VanDerWaalsContact C-N 3.31Å; D68-I70 VanDerWaalsContact C-N 3.34Å; D68-I70 PolarHBondContact O-N 2.88Å; D68-K71 WeakPolarHBondContact O-CB 3.45Å; D68-K71 PolarHBondContact O-N 3.22Å; D68-K71 VanDerWaalsContact O-N 3.15Å; D68-D72 PolarHBondContact O-N 3.35Å
69	A	94.7	Very high	96.1	Very high	35 Å²	35	62.2 Å²	62.2	29%	0.289	32%	0.317	S	S	.	.	H	α-helix	trans	-62	-38.5	176.3	0	0	0	0	0	113.3	D65 R66 K71 L73 W217	D65-A69 PolarHBondContact O-N 3.28Å; R66-A69 PolarHBondContact O-N 3.19Å; A69-K71 VanDerWaalsContact C-N 3.35Å; A69-L73 PolarHBondContact O-N 3.06Å; A69-W217 HydrophobicContact CB-CH2 4.41Å
70	I	96	Very high	96.1	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-65.5	-42.7	175.3	-68.7	167	0	0	0	110	R66 I67 D68 L73 K74 K178 A181 M182 D185 W217	R66-I70 HydrophobicContact CG-CD1 4.12Å; R66-I70 WeakPolarHBondContact O-CG1 3.35Å; R66-I70 PolarHBondContact O-N 3.07Å; I67-I70 PolarHBondContact O-N 3.16Å; D68-I70 VanDerWaalsContact C-N 3.34Å; D68-I70 PolarHBondContact O-N 2.88Å; I70-L73 PolarHBondContact O-N 2.99Å; I70-K74 WeakPolarHBondContact O-CB 3.32Å; I70-K74 PolarHBondContact O-N 3.49Å; I70-K178 HydrophobicContact CG2-CB 4.17Å; I70-K178 HydrophobicContact CG2-CD 4.15Å; I70-K178 WeakPolarHBondContact CG2-O 3.39Å; I70-A181 HydrophobicContact CD1-CB 4.21Å; I70-M182 HydrophobicContact CG2-CB 3.81Å; I70-M182 HydrophobicContact CG2-CG 4.28Å; I70-D185 WeakPolarHBondContact CD1-OD2 3.34Å; I70-W217 HydrophobicContact CB-CZ2 4.46Å; I70-W217 HydrophobicContact CG1-CH2 4.3Å; I70-W217 HydrophobicContact CG1-CZ2 3.81Å
71	K	96.2	Very high	96.3	Very high	102 Å²	102	58.1 Å²	58.1	44%	0.443	29%	0.292	S	S	.	.	H	α-helix	trans	-61.2	-46.8	178.7	-174.9	-174.2	173	-167.5	0	111.9	I67 D68 A69 L73 K74 D75 M182	I67-K71 WeakPolarHBondContact O-CB 3.14Å; I67-K71 PolarHBondContact O-N 3.36Å; D68-K71 WeakPolarHBondContact O-CB 3.45Å; D68-K71 PolarHBondContact O-N 3.22Å; D68-K71 VanDerWaalsContact O-N 3.15Å; A69-K71 VanDerWaalsContact C-N 3.35Å; K71-L73 VanDerWaalsContact C-N 3.33Å; K71-L73 PolarHBondContact O-N 2.97Å; K71-K74 WeakPolarHBondContact O-CA 3.42Å; K71-K74 WeakPolarHBondContact O-CB 3.5Å; K71-K74 PolarHBondContact O-N 3Å; K71-D75 PolarHBondContact O-N 3.33Å; K71-M182 HydrophobicContact CB-SD 4.32Å
72	D	94.5	Very high	96.3	Very high	100 Å²	100	58.2 Å²	58.2	54%	0.535	30%	0.295	S	S	.	.	H	α-helix	trans	-57.3	-45.4	179.4	-71.9	-17.1	0	0	0	112	D68 D75 I76	D68-D72 PolarHBondContact O-N 3.35Å; D72-D75 PolarHBondContact O-N 2.89Å; D72-I76 WeakPolarHBondContact O-CG1 3.41Å; D72-I76 PolarHBondContact O-N 3.39Å
73	L	94.7	Very high	96.4	Very high	30 Å²	30	54.4 Å²	54.4	16%	0.157	28%	0.284	C	S	.	.	H	α-helix	trans	-68.3	-35.9	176.2	-70.7	-167	0	0	0	112.5	A69 I70 K71 I76 L77 W217 E218 T221	A69-L73 PolarHBondContact O-N 3.06Å; I70-L73 PolarHBondContact O-N 2.99Å; K71-L73 VanDerWaalsContact C-N 3.33Å; K71-L73 PolarHBondContact O-N 2.97Å; L73-I76 HydrophobicContact CD2-CD1 4.42Å; L73-I76 PolarHBondContact O-N 2.89Å; L73-L77 WeakPolarHBondContact O-CG 3.41Å; L73-L77 PolarHBondContact O-N 3.35Å; L73-W217 HydrophobicContact CD1-CD2 4.32Å; L73-W217 HydrophobicContact CD1-CE3 4.12Å; L73-W217 HydrophobicContact CD1-CH2 3.28Å; L73-W217 HydrophobicContact CD1-CZ2 3.57Å; L73-W217 HydrophobicContact CD1-CZ3 3.57Å; L73-W217 HydrophobicContact CG-CH2 3.98Å; L73-W217 HydrophobicContact CG-CZ2 4.42Å; L73-W217 HydrophobicContact CG-CZ3 4.5Å; L73-E218 HydrophobicContact CD1-CG 4.44Å; L73-T221 HydrophobicContact CB-CG2 4.15Å; L73-T221 HydrophobicContact CD1-CG2 4.14Å; L73-T221 HydrophobicContact CD2-CG2 4.29Å; L73-T221 HydrophobicContact CG-CG2 4.44Å
74	K	95.9	Very high	96.5	Very high	30 Å²	30	52 Å²	52	13%	0.13	27%	0.271	C	S	.	.	H	α-helix	trans	-61.6	-47.2	176.2	-164.9	-161.9	111.9	163.1	0	110.7	I70 K71 I76 L77 E78 L175 K178 H179 M182	I70-K74 WeakPolarHBondContact O-CB 3.32Å; I70-K74 PolarHBondContact O-N 3.49Å; K71-K74 WeakPolarHBondContact O-CA 3.42Å; K71-K74 WeakPolarHBondContact O-CB 3.5Å; K71-K74 PolarHBondContact O-N 3Å; K74-I76 VanDerWaalsContact C-N 3.3Å; K74-I76 PolarHBondContact O-N 2.93Å; K74-L77 PolarHBondContact O-N 2.92Å; K74-L77 VanDerWaalsContact O-N 3.1Å; K74-E78 VanDerWaalsContact CE-CD 3.44Å; K74-E78 WeakPolarHBondContact CE-OE1 3.45Å; K74-E78 IonicContact NZ-OE1 2.62Å; K74-E78 PolarHBondContact NZ-OE1 3.32Å; K74-E78 VanDerWaalsContact NZ-OE1 3.17Å; K74-E78 WeakPolarHBondContact O-CG 3.44Å; K74-E78 PolarHBondContact O-N 3.41Å; K74-L175 HydrophobicContact CG-CD2 3.79Å; K74-K178 HydrophobicContact CG-CB 4.43Å; K74-H179 WeakPolarHBondContact CE-NE2 3.15Å; K74-H179 PolarHBondContact NZ-NE2 2.93Å; K74-M182 HydrophobicContact CD-CE 4.35Å
75	D	95.5	Very high	96.6	Very high	72 Å²	72	53.7 Å²	53.7	39%	0.385	28%	0.277	S	S	.	.	H	α-helix	trans	-60.9	-39.6	179.8	-67.7	-5.5	0	0	0	111.2	K71 D72 E78 L79	K71-D75 PolarHBondContact O-N 3.33Å; D72-D75 PolarHBondContact O-N 2.89Å; D75-E78 PolarHBondContact O-N 2.95Å; D75-L79 PolarHBondContact O-N 3.02Å; D75-L79 VanDerWaalsContact O-N 3.08Å
76	I	95.2	Very high	96.6	Very high	74 Å²	74	51.7 Å²	51.7	38%	0.379	27%	0.273	S	S	.	.	H	α-helix	trans	-63.3	-42.3	174.5	-69.1	168.1	0	0	0	111.8	D72 L73 K74 A80 W225	D72-I76 WeakPolarHBondContact O-CG1 3.41Å; D72-I76 PolarHBondContact O-N 3.39Å; L73-I76 HydrophobicContact CD2-CD1 4.42Å; L73-I76 PolarHBondContact O-N 2.89Å; K74-I76 VanDerWaalsContact C-N 3.3Å; K74-I76 PolarHBondContact O-N 2.93Å; I76-A80 PolarHBondContact O-N 3.11Å; I76-W225 HydrophobicContact CG2-CG 3.98Å
77	L	97.1	Very high	96.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-70.9	-37.1	178.9	-72.5	176.4	0	0	0	112.1	L73 K74 L79 A80 H81 V171 D174 L175 K178 T221	L73-L77 WeakPolarHBondContact O-CG 3.41Å; L73-L77 PolarHBondContact O-N 3.35Å; K74-L77 PolarHBondContact O-N 2.92Å; K74-L77 VanDerWaalsContact O-N 3.1Å; L77-L79 VanDerWaalsContact C-N 3.33Å; L77-A80 PolarHBondContact O-N 2.99Å; L77-H81 WeakPolarHBondContact O-CB 3.5Å; L77-H81 PolarHBondContact O-N 3.27Å; L77-V171 HydrophobicContact CB-CG1 4.29Å; L77-V171 HydrophobicContact CD2-CG1 4.24Å; L77-V171 WeakPolarHBondContact O-CG1 3.5Å; L77-D174 HydrophobicContact CD1-CB 3.92Å; L77-D174 WeakPolarHBondContact CD1-OD2 3.38Å; L77-L175 HydrophobicContact CB-CD1 4.26Å; L77-L175 HydrophobicContact CB-CD2 3.45Å; L77-L175 VanDerWaalsContact CB-CD2 3.45Å; L77-L175 HydrophobicContact CB-CG 3.66Å; L77-L175 HydrophobicContact CD1-CD2 4.24Å; L77-L175 HydrophobicContact CD1-CG 4.25Å; L77-K178 HydrophobicContact CD1-CG 4.34Å; L77-T221 HydrophobicContact CD1-CG2 3.72Å; L77-T221 HydrophobicContact CD2-CG2 3.75Å; L77-T221 HydrophobicContact CG-CG2 3.68Å
78	E	97.8	Very high	96.7	Very high	81 Å²	81	48.4 Å²	48.4	38%	0.379	26%	0.262	S	S	.	.	H	α-helix	trans	-62.5	-41.9	174.7	-74	-176.1	163.4	0	0	110.9	K74 D75 H81 S82 L175 H179	K74-E78 VanDerWaalsContact CE-CD 3.44Å; K74-E78 WeakPolarHBondContact CE-OE1 3.45Å; K74-E78 IonicContact NZ-OE1 2.62Å; K74-E78 PolarHBondContact NZ-OE1 3.32Å; K74-E78 VanDerWaalsContact NZ-OE1 3.17Å; K74-E78 WeakPolarHBondContact O-CG 3.44Å; K74-E78 PolarHBondContact O-N 3.41Å; D75-E78 PolarHBondContact O-N 2.95Å; E78-H81 PolarHBondContact O-N 2.99Å; E78-S82 PolarHBondContact O-N 2.89Å; E78-L175 HydrophobicContact CG-CD1 4.33Å; E78-L175 HydrophobicContact CG-CD2 3.68Å; E78-H179 IonicContact OE1-CE1 3.26Å; E78-H179 IonicContact OE1-NE2 3.47Å
79	L	96.5	Very high	96.8	Very high	94 Å²	94	49 Å²	49	49%	0.492	26%	0.264	S	S	.	.	H	α-helix	trans	-60.5	-49.8	173	178.2	61.4	0	0	0	111	D75 L77 H81 S82 Q83	D75-L79 PolarHBondContact O-N 3.02Å; D75-L79 VanDerWaalsContact O-N 3.08Å; L77-L79 VanDerWaalsContact C-N 3.33Å; L79-H81 VanDerWaalsContact C-N 3.29Å; L79-H81 PolarHBondContact O-N 3.35Å; L79-S82 PolarHBondContact O-N 2.86Å; L79-S82 PolarHBondContact O-OG 3.42Å; L79-Q83 HydrophobicContact CD1-CG 4.33Å; L79-Q83 WeakPolarHBondContact O-CG 3.44Å; L79-Q83 PolarHBondContact O-N 3.41Å
80	A	96.3	Very high	96.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.6	-39.5	178.2	0	0	0	0	0	112.4	I76 L77 Q83 L84 A228	I76-A80 PolarHBondContact O-N 3.11Å; L77-A80 PolarHBondContact O-N 2.99Å; A80-Q83 PolarHBondContact O-N 3.25Å; A80-L84 WeakPolarHBondContact O-CB 3.49Å; A80-L84 WeakPolarHBondContact O-CG 3.47Å; A80-L84 PolarHBondContact O-N 3.04Å; A80-A228 HydrophobicContact CB-CB 4.33Å
81	H	98.2	Very high	97	Very high	35 Å²	35	48.8 Å²	48.8	16%	0.162	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-47.3	175	179.8	-86.5	0	0	0	111.5	L77 E78 L79 Q83 L84 D85 V171 L172 L175	L77-H81 WeakPolarHBondContact O-CB 3.5Å; L77-H81 PolarHBondContact O-N 3.27Å; E78-H81 PolarHBondContact O-N 2.99Å; L79-H81 VanDerWaalsContact C-N 3.29Å; L79-H81 PolarHBondContact O-N 3.35Å; H81-Q83 VanDerWaalsContact C-N 3.32Å; H81-Q83 PolarHBondContact O-N 3.49Å; H81-L84 PolarHBondContact O-N 3.4Å; H81-D85 IonicContact CE1-OD2 2.62Å; H81-D85 PolarHBondContact CE1-OD2 2.98Å; H81-D85 IonicContact ND1-OD2 3.17Å; H81-D85 PolarHBondContact ND1-OD2 3.18Å; H81-D85 IonicContact NE2-OD2 3.55Å; H81-D85 PolarHBondContact O-N 3.37Å; H81-V171 HydrophobicContact CB-CG1 3.9Å; H81-L172 WeakPolarHBondContact NE2-CD1 3.5Å; H81-L175 HydrophobicContact CB-CD1 4.09Å
82	S	98	Very high	97	Very high	60 Å²	60	45.9 Å²	45.9	42%	0.42	25%	0.247	S	C	.	.	H	α-helix	trans	-62.9	-37.8	178.4	74.1	0	0	0	0	112.8	E78 L79 D85 A86	E78-S82 PolarHBondContact O-N 2.89Å; L79-S82 PolarHBondContact O-N 2.86Å; L79-S82 PolarHBondContact O-OG 3.42Å; S82-D85 PolarHBondContact O-N 3.45Å; S82-A86 PolarHBondContact O-N 3.08Å
83	Q	98	Very high	97.2	Very high	69 Å²	69	43.4 Å²	43.4	32%	0.322	23%	0.233	S	C	.	.	H	α-helix	trans	-68.6	-38.9	176.3	-69.6	177.1	-27.7	0	0	111.9	L79 A80 H81 A86 E87 I232	L79-Q83 HydrophobicContact CD1-CG 4.33Å; L79-Q83 WeakPolarHBondContact O-CG 3.44Å; L79-Q83 PolarHBondContact O-N 3.41Å; A80-Q83 PolarHBondContact O-N 3.25Å; H81-Q83 VanDerWaalsContact C-N 3.32Å; H81-Q83 PolarHBondContact O-N 3.49Å; Q83-A86 PolarHBondContact O-N 3.43Å; Q83-E87 VanDerWaalsContact O-CB 3.31Å; Q83-E87 WeakPolarHBondContact O-CB 3.17Å; Q83-E87 PolarHBondContact O-N 3.5Å; Q83-I232 HydrophobicContact CB-CD1 3.65Å
84	L	98.5	Very high	97.2	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-42.4	174.2	-76.3	166.9	0	0	0	111.8	A80 H81 E87 I88 L164 A167 R168 V171 A228 I232	A80-L84 WeakPolarHBondContact O-CB 3.49Å; A80-L84 WeakPolarHBondContact O-CG 3.47Å; A80-L84 PolarHBondContact O-N 3.04Å; H81-L84 PolarHBondContact O-N 3.4Å; L84-E87 PolarHBondContact O-N 2.97Å; L84-I88 WeakPolarHBondContact O-CB 3.21Å; L84-I88 WeakPolarHBondContact O-CD1 3.26Å; L84-I88 WeakPolarHBondContact O-CG1 3.31Å; L84-I88 PolarHBondContact O-N 2.92Å; L84-L164 HydrophobicContact CD2-CD2 3.76Å; L84-A167 HydrophobicContact CD1-CB 4.38Å; L84-A167 HydrophobicContact CD2-CB 4.22Å; L84-R168 HydrophobicContact CB-CB 4.29Å; L84-R168 HydrophobicContact CD1-CB 4.13Å; L84-V171 HydrophobicContact CD1-CG2 4.12Å; L84-A228 HydrophobicContact CD1-CB 3.68Å; L84-A228 HydrophobicContact CD2-CB 4.3Å; L84-A228 HydrophobicContact CG-CB 4.13Å; L84-I232 HydrophobicContact CD2-CD1 4.07Å; L84-I232 HydrophobicContact CD2-CG1 3.75Å; L84-I232 HydrophobicContact CG-CD1 4.03Å; L84-I232 HydrophobicContact CG-CG1 4.23Å
85	D	98.2	Very high	97.3	Very high	61 Å²	61	42 Å²	42	33%	0.326	23%	0.226	S	C	.	.	H	α-helix	trans	-58.9	-47.7	175.1	-86.9	-28.5	0	0	0	111.5	H81 S82 I88 L89 R168	H81-D85 IonicContact CE1-OD2 2.62Å; H81-D85 PolarHBondContact CE1-OD2 2.98Å; H81-D85 IonicContact ND1-OD2 3.17Å; H81-D85 PolarHBondContact ND1-OD2 3.18Å; H81-D85 IonicContact NE2-OD2 3.55Å; H81-D85 PolarHBondContact O-N 3.37Å; S82-D85 PolarHBondContact O-N 3.45Å; D85-I88 PolarHBondContact O-N 3.28Å; D85-L89 PolarHBondContact O-N 2.81Å; D85-R168 IonicContact OD1-CZ 3.76Å; D85-R168 VanDerWaalsContact OD1-CZ 3.26Å; D85-R168 IonicContact OD1-NE 2.72Å; D85-R168 PolarHBondContact OD1-NE 3.47Å; D85-R168 IonicContact OD1-NH2 3.78Å; D85-R168 PolarHBondContact OD1-NH2 3.31Å; D85-R168 VanDerWaalsContact OD1-NH2 3.08Å; D85-R168 IonicContact OD2-NE 2.96Å; D85-R168 IonicContact OD2-NH2 3.09Å
86	A	97.6	Very high	97.3	Very high	52 Å²	52	42.9 Å²	42.9	43%	0.43	23%	0.227	S	C	.	.	H	α-helix	trans	-60.2	-48.7	176.6	0	0	0	0	0	111	S82 Q83 I88 L89 M90	S82-A86 PolarHBondContact O-N 3.08Å; Q83-A86 PolarHBondContact O-N 3.43Å; A86-I88 PolarHBondContact O-N 3.28Å; A86-L89 WeakPolarHBondContact O-CB 3.41Å; A86-L89 PolarHBondContact O-N 3.43Å; A86-M90 VanDerWaalsContact O-CG 3.29Å; A86-M90 WeakPolarHBondContact O-CG 3.47Å; A86-M90 PolarHBondContact O-N 3.09Å
87	E	97.5	Very high	97.4	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.037	22%	0.216	C	C	.	.	H	α-helix	trans	-62.1	-42.6	-179	-177.2	63	-151.4	0	0	112.8	Q83 L84 L89 M90 V91 L164 I232 G235 Q236 R239	Q83-E87 VanDerWaalsContact O-CB 3.31Å; Q83-E87 WeakPolarHBondContact O-CB 3.17Å; Q83-E87 PolarHBondContact O-N 3.5Å; L84-E87 PolarHBondContact O-N 2.97Å; E87-L89 VanDerWaalsContact C-N 3.27Å; E87-L89 PolarHBondContact O-N 2.61Å; E87-M90 PolarHBondContact O-N 3.01Å; E87-M90 VanDerWaalsContact O-N 3.15Å; E87-V91 HydrophobicContact CG-CG2 4.37Å; E87-V91 WeakPolarHBondContact O-CG2 3.45Å; E87-V91 PolarHBondContact O-N 3.39Å; E87-V91 VanDerWaalsContact OE1-CG2 3.26Å; E87-V91 WeakPolarHBondContact OE1-CG2 3.35Å; E87-L164 HydrophobicContact CB-CD2 4.35Å; E87-L164 HydrophobicContact CG-CD1 3.81Å; E87-L164 HydrophobicContact CG-CD2 3.77Å; E87-L164 HydrophobicContact CG-CG 4.49Å; E87-I232 HydrophobicContact CB-CG1 4.26Å; E87-I232 HydrophobicContact CB-CG2 4.47Å; E87-I232 HydrophobicContact CG-CG1 4.43Å; E87-I232 HydrophobicContact CG-CG2 4.38Å; E87-G235 WeakPolarHBondContact OE1-CA 3.36Å; E87-Q236 PolarHBondContact OE1-N 2.92Å; E87-Q236 VanDerWaalsContact OE1-N 3.11Å; E87-R239 IonicContact OE1-CZ 2.97Å; E87-R239 IonicContact OE1-NH1 3.89Å; E87-R239 PolarHBondContact OE1-NH1 3.11Å; E87-R239 IonicContact OE2-CZ 3.68Å; E87-R239 IonicContact OE2-NH1 3.84Å; E87-R239 PolarHBondContact OE2-NH1 3.26Å
88	I	98.3	Very high	97.4	Very high	23 Å²	23	40.2 Å²	40.2	12%	0.118	22%	0.216	C	C	.	.	H	α-helix	trans	-57.9	-43.6	176	-71.6	163.5	0	0	0	110.5	L84 D85 A86 N92 L164 K165 R168	L84-I88 WeakPolarHBondContact O-CB 3.21Å; L84-I88 WeakPolarHBondContact O-CD1 3.26Å; L84-I88 WeakPolarHBondContact O-CG1 3.31Å; L84-I88 PolarHBondContact O-N 2.92Å; D85-I88 PolarHBondContact O-N 3.28Å; A86-I88 PolarHBondContact O-N 3.28Å; I88-N92 WeakPolarHBondContact O-CB 3.34Å; I88-N92 PolarHBondContact O-N 3.48Å; I88-L164 HydrophobicContact CD1-CB 4.14Å; I88-L164 HydrophobicContact CG1-CB 3.55Å; I88-L164 HydrophobicContact CG1-CD1 4.24Å; I88-L164 HydrophobicContact CG1-CG 4.43Å; I88-K165 HydrophobicContact CD1-CG 3.96Å; I88-R168 HydrophobicContact CD1-CB 4.33Å
89	L	97.8	Very high	97.3	Very high	102 Å²	102	38.9 Å²	38.9	53%	0.534	21%	0.21	S	C	.	.	H	α-helix	trans	-61.7	-46.7	176.3	-177.7	71	0	0	0	110.9	D85 A86 E87 N92 L93	D85-L89 PolarHBondContact O-N 2.81Å; A86-L89 WeakPolarHBondContact O-CB 3.41Å; A86-L89 PolarHBondContact O-N 3.43Å; E87-L89 VanDerWaalsContact C-N 3.27Å; E87-L89 PolarHBondContact O-N 2.61Å; L89-N92 PolarHBondContact O-N 3.06Å; L89-L93 HydrophobicContact CG-CD1 4.44Å; L89-L93 WeakPolarHBondContact O-CG 3.5Å; L89-L93 PolarHBondContact O-N 3.19Å
90	M	97.3	Very high	97.3	Very high	32 Å²	32	39.3 Å²	39.3	16%	0.158	21%	0.21	C	C	.	.	H	α-helix	trans	-66.6	-40.7	-177.5	-61.9	-48.1	-71	0	0	112.8	A86 E87 N92 L93 G94 R239 K436	A86-M90 VanDerWaalsContact O-CG 3.29Å; A86-M90 WeakPolarHBondContact O-CG 3.47Å; A86-M90 PolarHBondContact O-N 3.09Å; E87-M90 PolarHBondContact O-N 3.01Å; E87-M90 VanDerWaalsContact O-N 3.15Å; M90-N92 VanDerWaalsContact C-N 3.33Å; M90-L93 PolarHBondContact O-N 3.41Å; M90-L93 HydrophobicContact SD-CD1 4.08Å; M90-G94 PolarHBondContact O-N 3.17Å; M90-G94 VanDerWaalsContact O-N 3.08Å; M90-R239 WeakPolarHBondContact O-CD 3.38Å; M90-K436 HydrophobicContact CE-CB 4.13Å; M90-K436 WeakPolarHBondContact CE-O 3.49Å
91	V	97.4	Very high	97.1	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.1	-39.6	174.2	175.3	0	0	0	0	110.8	E87 L93 G94 K95 A157 M161 L164 R239	E87-V91 HydrophobicContact CG-CG2 4.37Å; E87-V91 WeakPolarHBondContact O-CG2 3.45Å; E87-V91 PolarHBondContact O-N 3.39Å; E87-V91 VanDerWaalsContact OE1-CG2 3.26Å; E87-V91 WeakPolarHBondContact OE1-CG2 3.35Å; V91-L93 PolarHBondContact O-N 2.93Å; V91-G94 PolarHBondContact O-N 3.03Å; V91-K95 PolarHBondContact O-N 3.07Å; V91-A157 HydrophobicContact CG1-CB 4.23Å; V91-M161 HydrophobicContact CB-CG 4.34Å; V91-M161 HydrophobicContact CG1-CG 3.75Å; V91-L164 HydrophobicContact CB-CD1 4.49Å; V91-L164 HydrophobicContact CG2-CD1 3.98Å; V91-R239 HydrophobicContact CG2-CG 4.18Å
92	N	97.5	Very high	97.1	Very high	41 Å²	41	39.6 Å²	39.6	22%	0.219	21%	0.212	C	C	.	.	H	α-helix	trans	-62.5	-42.5	176.1	-173.4	72.3	0	0	0	112.1	I88 L89 M90 G94 K95 E96 M161	I88-N92 WeakPolarHBondContact O-CB 3.34Å; I88-N92 PolarHBondContact O-N 3.48Å; L89-N92 PolarHBondContact O-N 3.06Å; M90-N92 VanDerWaalsContact C-N 3.33Å; N92-G94 VanDerWaalsContact C-N 3.29Å; N92-G94 PolarHBondContact O-N 3.23Å; N92-K95 WeakPolarHBondContact O-CB 3.37Å; N92-K95 PolarHBondContact O-N 2.78Å; N92-E96 PolarHBondContact ND2-OE1 2.96Å; N92-E96 WeakPolarHBondContact O-CG 3.32Å; N92-E96 PolarHBondContact O-N 3.45Å; N92-M161 HydrophobicContact CB-CE 3.77Å; N92-M161 HydrophobicContact CB-SD 4.05Å; N92-M161 VanDerWaalsContact OD1-CE 3.32Å; N92-M161 WeakPolarHBondContact OD1-CE 3.21Å
93	L	97	Very high	96.9	Very high	47 Å²	47	43.1 Å²	43.1	25%	0.246	22%	0.216	C	C	.	.	H	α-helix	trans	-60.8	-38.7	174.1	-71.1	171.7	0	0	0	112.1	L89 M90 V91 E96 A97 K436	L89-L93 HydrophobicContact CG-CD1 4.44Å; L89-L93 WeakPolarHBondContact O-CG 3.5Å; L89-L93 PolarHBondContact O-N 3.19Å; M90-L93 PolarHBondContact O-N 3.41Å; M90-L93 HydrophobicContact SD-CD1 4.08Å; V91-L93 PolarHBondContact O-N 2.93Å; L93-E96 PolarHBondContact O-N 2.88Å; L93-A97 WeakPolarHBondContact O-CB 3.24Å; L93-A97 PolarHBondContact O-N 3Å; L93-K436 HydrophobicContact CD1-CD 4.34Å
94	G	95.5	Very high	96.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-44.5	172.8	0	0	0	0	0	113	M90 V91 N92 A97 V98	M90-G94 PolarHBondContact O-N 3.17Å; M90-G94 VanDerWaalsContact O-N 3.08Å; V91-G94 PolarHBondContact O-N 3.03Å; N92-G94 VanDerWaalsContact C-N 3.29Å; N92-G94 PolarHBondContact O-N 3.23Å; G94-A97 PolarHBondContact O-N 3.37Å; G94-V98 WeakPolarHBondContact O-CG2 3.31Å; G94-V98 PolarHBondContact O-N 3Å; G94-V98 VanDerWaalsContact O-N 3.1Å
95	K	97.5	Very high	96.4	Very high	32 Å²	32	41.3 Å²	41.3	14%	0.139	21%	0.21	C	C	.	.	H	α-helix	trans	-59.6	-48.6	175	-177.2	-176.3	163.5	-71.7	0	111.5	V91 N92 A97 V98 E99 V154 A157 M161	V91-K95 PolarHBondContact O-N 3.07Å; N92-K95 WeakPolarHBondContact O-CB 3.37Å; N92-K95 PolarHBondContact O-N 2.78Å; K95-A97 VanDerWaalsContact C-N 3.3Å; K95-A97 PolarHBondContact O-N 3.26Å; K95-V98 PolarHBondContact O-N 3.44Å; K95-V98 VanDerWaalsContact O-N 3.16Å; K95-E99 WeakPolarHBondContact CE-OE1 3.24Å; K95-E99 IonicContact NZ-OE1 2.64Å; K95-E99 PolarHBondContact NZ-OE1 2.91Å; K95-E99 IonicContact NZ-OE2 3.38Å; K95-E99 PolarHBondContact NZ-OE2 2.88Å; K95-E99 WeakPolarHBondContact O-CG 3.45Å; K95-E99 PolarHBondContact O-N 3.14Å; K95-V154 HydrophobicContact CG-CG1 4.21Å; K95-A157 HydrophobicContact CB-CB 3.86Å; K95-A157 HydrophobicContact CG-CB 4.21Å; K95-M161 HydrophobicContact CD-SD 4.19Å
96	E	97.2	Very high	96.2	Very high	89 Å²	89	42.7 Å²	42.7	42%	0.416	22%	0.217	S	C	.	.	H	α-helix	trans	-60.3	-39.6	179.2	-73.7	172.5	-177.6	0	0	112	N92 L93 E99 E100	N92-E96 PolarHBondContact ND2-OE1 2.96Å; N92-E96 WeakPolarHBondContact O-CG 3.32Å; N92-E96 PolarHBondContact O-N 3.45Å; L93-E96 PolarHBondContact O-N 2.88Å; E96-E99 PolarHBondContact O-N 3.39Å; E96-E100 WeakPolarHBondContact O-CB 3.38Å; E96-E100 PolarHBondContact O-N 3.46Å
97	A	95.9	Very high	96	Very high	17 Å²	17	43.2 Å²	43.2	14%	0.14	22%	0.215	C	C	.	.	H	α-helix	trans	-63.8	-39.3	175.7	0	0	0	0	0	112.6	L93 G94 K95 E100 Q101 L246 V433	L93-A97 WeakPolarHBondContact O-CB 3.24Å; L93-A97 PolarHBondContact O-N 3Å; G94-A97 PolarHBondContact O-N 3.37Å; K95-A97 VanDerWaalsContact C-N 3.3Å; K95-A97 PolarHBondContact O-N 3.26Å; A97-E100 PolarHBondContact O-N 3.47Å; A97-Q101 WeakPolarHBondContact O-CB 3.46Å; A97-Q101 PolarHBondContact O-N 3.2Å; A97-L246 HydrophobicContact CB-CD1 4.14Å; A97-V433 HydrophobicContact CB-CG1 3.74Å
98	V	96.9	Very high	95.8	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-66.5	-43.9	174.5	178.5	0	0	0	0	111.4	G94 K95 E100 Q101 M102 L150 K153 V154 I242 L246	G94-V98 WeakPolarHBondContact O-CG2 3.31Å; G94-V98 PolarHBondContact O-N 3Å; G94-V98 VanDerWaalsContact O-N 3.1Å; K95-V98 PolarHBondContact O-N 3.44Å; K95-V98 VanDerWaalsContact O-N 3.16Å; V98-E100 VanDerWaalsContact C-N 3.31Å; V98-E100 PolarHBondContact O-N 2.88Å; V98-Q101 PolarHBondContact O-N 2.99Å; V98-M102 HydrophobicContact CG1-SD 4.41Å; V98-M102 WeakPolarHBondContact O-CG 3.33Å; V98-M102 PolarHBondContact O-N 2.94Å; V98-L150 HydrophobicContact CG1-CB 3.79Å; V98-L150 HydrophobicContact CG1-CD2 3.94Å; V98-L150 HydrophobicContact CG1-CG 4.43Å; V98-L150 VanDerWaalsContact CG1-O 3.26Å; V98-L150 WeakPolarHBondContact CG1-O 3.48Å; V98-K153 HydrophobicContact CG1-CB 4.32Å; V98-K153 HydrophobicContact CG2-CB 4.38Å; V98-V154 HydrophobicContact CB-CG2 4.06Å; V98-V154 HydrophobicContact CG1-CG2 3.47Å; V98-V154 VanDerWaalsContact CG1-CG2 3.47Å; V98-I242 HydrophobicContact CG2-CB 4.47Å; V98-I242 HydrophobicContact CG2-CG1 4.39Å; V98-I242 HydrophobicContact CG2-CG2 3.45Å; V98-I242 VanDerWaalsContact CG2-CG2 3.45Å; V98-L246 HydrophobicContact CG2-CD1 4.29Å; V98-L246 HydrophobicContact CG2-CD2 4.02Å; V98-L246 HydrophobicContact CG2-CG 4.18Å
99	E	97	Very high	95.7	Very high	53 Å²	53	45.9 Å²	45.9	25%	0.248	23%	0.227	C	C	.	.	H	α-helix	trans	-63.9	-36.5	177.2	-71.2	175.4	144.3	0	0	112.2	K95 E96 M102 R103 V154	K95-E99 WeakPolarHBondContact CE-OE1 3.24Å; K95-E99 IonicContact NZ-OE1 2.64Å; K95-E99 PolarHBondContact NZ-OE1 2.91Å; K95-E99 IonicContact NZ-OE2 3.38Å; K95-E99 PolarHBondContact NZ-OE2 2.88Å; K95-E99 WeakPolarHBondContact O-CG 3.45Å; K95-E99 PolarHBondContact O-N 3.14Å; E96-E99 PolarHBondContact O-N 3.39Å; E99-M102 PolarHBondContact O-N 2.84Å; E99-R103 WeakPolarHBondContact O-CG 3.4Å; E99-R103 PolarHBondContact O-N 3.41Å; E99-V154 HydrophobicContact CG-CG1 4.22Å; E99-V154 HydrophobicContact CG-CG2 3.87Å
100	E	95.2	Very high	95.6	Very high	104 Å²	104	46.1 Å²	46.1	49%	0.486	23%	0.225	S	C	.	.	H	α-helix	trans	-65.6	-45	173.3	-174.7	57.1	-150.3	0	0	111.8	E96 A97 V98 M102 R103 S104	E96-E100 WeakPolarHBondContact O-CB 3.38Å; E96-E100 PolarHBondContact O-N 3.46Å; A97-E100 PolarHBondContact O-N 3.47Å; V98-E100 VanDerWaalsContact C-N 3.31Å; V98-E100 PolarHBondContact O-N 2.88Å; E100-M102 PolarHBondContact O-N 3.26Å; E100-R103 WeakPolarHBondContact O-CB 2.92Å; E100-R103 PolarHBondContact O-N 2.89Å; E100-R103 IonicContact OE2-CZ 3.87Å; E100-R103 IonicContact OE2-NE 3.48Å; E100-R103 PolarHBondContact OE2-NE 3.42Å; E100-R103 IonicContact OE2-NH2 2.99Å; E100-R103 PolarHBondContact OE2-NH2 3.44Å; E100-S104 PolarHBondContact O-N 2.86Å
101	Q	93.7	Very high	95.5	Very high	13 Å²	13	44.6 Å²	44.6	6%	0.061	22%	0.218	C	C	.	.	H	α-helix	trans	-61.3	-34	174.7	-176.1	63.1	17.6	0	0	112.1	A97 V98 S104 I105 L150 L246 T427	A97-Q101 WeakPolarHBondContact O-CB 3.46Å; A97-Q101 PolarHBondContact O-N 3.2Å; V98-Q101 PolarHBondContact O-N 2.99Å; Q101-S104 PolarHBondContact O-N 3.45Å; Q101-S104 PolarHBondContact O-OG 3.45Å; Q101-I105 HydrophobicContact CG-CD1 4.39Å; Q101-I105 WeakPolarHBondContact O-CD1 3.29Å; Q101-I105 VanDerWaalsContact O-CG1 3.26Å; Q101-I105 WeakPolarHBondContact O-CG1 3.47Å; Q101-I105 PolarHBondContact O-N 3.44Å; Q101-L150 HydrophobicContact CB-CD1 4.29Å; Q101-L150 HydrophobicContact CG-CD1 3.77Å; Q101-L150 HydrophobicContact CG-CD2 4.25Å; Q101-L246 HydrophobicContact CB-CD2 3.63Å; Q101-L246 HydrophobicContact CG-CD2 3.83Å; Q101-T427 VanDerWaalsContact NE2-CB 3.32Å
102	M	96.4	Very high	95.5	Very high	28 Å²	28	44.6 Å²	44.6	14%	0.138	22%	0.218	C	C	.	.	H	α-helix	trans	-67	-39	173.4	-71.4	175.2	70.4	0	0	112.2	V98 E99 E100 I105 N147 L150 Q151 V154	V98-M102 HydrophobicContact CG1-SD 4.41Å; V98-M102 WeakPolarHBondContact O-CG 3.33Å; V98-M102 PolarHBondContact O-N 2.94Å; E99-M102 PolarHBondContact O-N 2.84Å; E100-M102 PolarHBondContact O-N 3.26Å; M102-I105 PolarHBondContact O-N 3.19Å; M102-N147 WeakPolarHBondContact CE-OD1 3.5Å; M102-L150 HydrophobicContact CG-CB 3.5Å; M102-L150 HydrophobicContact CG-CD1 3.7Å; M102-L150 HydrophobicContact CG-CG 4.26Å; M102-L150 HydrophobicContact SD-CB 3.92Å; M102-Q151 HydrophobicContact CE-CB 4.1Å; M102-Q151 VanDerWaalsContact CE-OE1 3.29Å; M102-V154 HydrophobicContact SD-CG2 3.81Å
103	R	94.7	Very high	95.4	Very high	133 Å²	133	45 Å²	45	50%	0.502	22%	0.222	S	C	.	.	H	α-helix	trans	-63	-42.9	174.5	-73.2	-174.6	-74	-91	5.1	111.5	E99 E100 I105 I106	E99-R103 WeakPolarHBondContact O-CG 3.4Å; E99-R103 PolarHBondContact O-N 3.41Å; E100-R103 WeakPolarHBondContact O-CB 2.92Å; E100-R103 PolarHBondContact O-N 2.89Å; E100-R103 IonicContact OE2-CZ 3.87Å; E100-R103 IonicContact OE2-NE 3.48Å; E100-R103 PolarHBondContact OE2-NE 3.42Å; E100-R103 IonicContact OE2-NH2 2.99Å; E100-R103 PolarHBondContact OE2-NH2 3.44Å; R103-I105 VanDerWaalsContact C-N 3.26Å; R103-I105 PolarHBondContact O-N 2.84Å; R103-I106 WeakPolarHBondContact O-CB 3.4Å; R103-I106 PolarHBondContact O-N 3.42Å
104	S	92.1	Very high	95.4	Very high	28 Å²	28	46 Å²	46	20%	0.196	23%	0.225	C	C	.	.	H	α-helix	trans	-65	-28.4	-179.1	72.9	0	0	0	0	113.3	E100 Q101 I106 P108	E100-S104 PolarHBondContact O-N 2.86Å; Q101-S104 PolarHBondContact O-N 3.45Å; Q101-S104 PolarHBondContact O-OG 3.45Å; S104-I106 VanDerWaalsContact C-N 3.29Å; S104-I106 PolarHBondContact O-N 3.08Å; S104-P108 WeakPolarHBondContact O-CD 3.23Å
105	I	93	Very high	95.5	Very high	4 Å²	4	46 Å²	46	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-71.3	-19.1	179	-71.5	168.5	0	0	0	113.5	Q101 M102 R103 T107 P108 K109 I143 L150 V249 L253	Q101-I105 HydrophobicContact CG-CD1 4.39Å; Q101-I105 WeakPolarHBondContact O-CD1 3.29Å; Q101-I105 VanDerWaalsContact O-CG1 3.26Å; Q101-I105 WeakPolarHBondContact O-CG1 3.47Å; Q101-I105 PolarHBondContact O-N 3.44Å; M102-I105 PolarHBondContact O-N 3.19Å; R103-I105 VanDerWaalsContact C-N 3.26Å; R103-I105 PolarHBondContact O-N 2.84Å; I105-T107 PolarHBondContact O-N 3.02Å; I105-P108 WeakPolarHBondContact O-CD 3.45Å; I105-K109 WeakPolarHBondContact O-CB 3.47Å; I105-K109 PolarHBondContact O-N 3.43Å; I105-K109 VanDerWaalsContact O-N 3.17Å; I105-I143 HydrophobicContact CG2-CG2 3.64Å; I105-L150 HydrophobicContact CD1-CD1 3.42Å; I105-L150 VanDerWaalsContact CD1-CD1 3.42Å; I105-V249 HydrophobicContact CD1-CG1 3.95Å; I105-L253 HydrophobicContact CD1-CD1 3.76Å; I105-L253 HydrophobicContact CG1-CD1 3.67Å
106	I	94.1	Very high	95.5	Very high	90 Å²	90	45.3 Å²	45.3	46%	0.462	22%	0.223	S	C	.	.	H	α-helix	trans	-61.4	-47.4	-178.7	-62.8	173.4	0	0	0	110.9	R103 S104 K109 E110	R103-I106 WeakPolarHBondContact O-CB 3.4Å; R103-I106 PolarHBondContact O-N 3.42Å; S104-I106 VanDerWaalsContact C-N 3.29Å; S104-I106 PolarHBondContact O-N 3.08Å; I106-K109 WeakPolarHBondContact O-CB 3.22Å; I106-K109 PolarHBondContact O-N 3.39Å; I106-K109 VanDerWaalsContact O-N 3.12Å; I106-E110 HydrophobicContact CG2-CG 4.41Å; I106-E110 WeakPolarHBondContact O-CG 3.43Å; I106-E110 PolarHBondContact O-N 3.18Å
107	T	93.3	Very high	95.5	Very high	62 Å²	62	44.4 Å²	44.4	38%	0.38	22%	0.224	S	C	.	.	H	α-helix	trans	-61.9	-49.2	-177.2	-55.9	0	0	0	0	112.8	I105 K109 E110 C111 R396	I105-T107 PolarHBondContact O-N 3.02Å; T107-K109 VanDerWaalsContact C-N 3.29Å; T107-K109 PolarHBondContact O-N 3.45Å; T107-E110 PolarHBondContact O-N 2.95Å; T107-C111 WeakPolarHBondContact O-CB 3.45Å; T107-C111 PolarHBondContact O-N 3.4Å; T107-R396 HydrophobicContact CG2-CB 4.07Å
108	P	94.3	Very high	95.5	Very high	16 Å²	16	44.5 Å²	44.5	10%	0.104	22%	0.222	C	C	.	.	H	α-helix	trans	-55.5	-40.6	171.1	-27.9	34.8	0	0	0	113.5	S104 I105 E110 C111 V112 I143 M397	S104-P108 WeakPolarHBondContact O-CD 3.23Å; I105-P108 WeakPolarHBondContact O-CD 3.45Å; P108-E110 PolarHBondContact O-N 3.4Å; P108-C111 PolarHBondContact O-N 2.99Å; P108-V112 VanDerWaalsContact O-CG2 3.3Å; P108-V112 WeakPolarHBondContact O-CG2 3.36Å; P108-V112 PolarHBondContact O-N 3.35Å; P108-I143 HydrophobicContact CB-CD1 4.06Å; P108-M397 HydrophobicContact CB-SD 3.82Å; P108-M397 HydrophobicContact CG-SD 4.02Å
109	K	95.4	Very high	95.5	Very high	71 Å²	71	44.7 Å²	44.7	31%	0.309	22%	0.222	S	C	.	.	H	α-helix	trans	-62.1	-45.7	-179.7	-172.5	172	172.4	161.2	0	112.4	I105 I106 T107 T113 I143 D144	I105-K109 WeakPolarHBondContact O-CB 3.47Å; I105-K109 PolarHBondContact O-N 3.43Å; I105-K109 VanDerWaalsContact O-N 3.17Å; I106-K109 WeakPolarHBondContact O-CB 3.22Å; I106-K109 PolarHBondContact O-N 3.39Å; I106-K109 VanDerWaalsContact O-N 3.12Å; T107-K109 VanDerWaalsContact C-N 3.29Å; T107-K109 PolarHBondContact O-N 3.45Å; K109-T113 WeakPolarHBondContact O-CB 3.47Å; K109-T113 PolarHBondContact O-N 2.88Å; K109-T113 VanDerWaalsContact O-N 3.09Å; K109-T113 PolarHBondContact O-OG1 3.16Å; K109-I143 HydrophobicContact CB-CG2 3.8Å; K109-I143 HydrophobicContact CD-CG2 3.92Å; K109-I143 HydrophobicContact CG-CG2 3.89Å; K109-D144 WeakPolarHBondContact CE-OD1 3.33Å; K109-D144 IonicContact NZ-OD1 2.83Å; K109-D144 PolarHBondContact NZ-OD1 3.25Å
110	E	95.8	Very high	95.4	Very high	107 Å²	107	47.1 Å²	47.1	50%	0.5	24%	0.237	S	C	.	.	H	α-helix	trans	-65.1	-43.8	177.1	-69.6	177.6	168.4	0	0	110.8	I106 T107 P108 V112 T113 E114	I106-E110 HydrophobicContact CG2-CG 4.41Å; I106-E110 WeakPolarHBondContact O-CG 3.43Å; I106-E110 PolarHBondContact O-N 3.18Å; T107-E110 PolarHBondContact O-N 2.95Å; P108-E110 PolarHBondContact O-N 3.4Å; E110-V112 PolarHBondContact O-N 3.16Å; E110-T113 PolarHBondContact O-N 3.09Å; E110-E114 WeakPolarHBondContact O-CB 3.41Å; E110-E114 PolarHBondContact O-N 3.31Å
111	C	95.8	Very high	95.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.1	-47.7	177.1	-175.8	0	0	0	0	112.4	T107 P108 T113 E114 C115 R396	T107-C111 WeakPolarHBondContact O-CB 3.45Å; T107-C111 PolarHBondContact O-N 3.4Å; P108-C111 PolarHBondContact O-N 2.99Å; C111-T113 VanDerWaalsContact C-N 3.33Å; C111-T113 PolarHBondContact O-N 3.36Å; C111-E114 PolarHBondContact O-N 3.22Å; C111-C115 PolarHBondContact O-N 2.83Å; C111-C115 PolarHBondContact O-SG 2.88Å; C111-R396 HydrophobicContact CB-CB 4.42Å
112	V	96.5	Very high	95.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-42.8	176.8	171.4	0	0	0	0	111.3	P108 E110 E114 C115 L116 L136 E139 K140 I143	P108-V112 VanDerWaalsContact O-CG2 3.3Å; P108-V112 WeakPolarHBondContact O-CG2 3.36Å; P108-V112 PolarHBondContact O-N 3.35Å; E110-V112 PolarHBondContact O-N 3.16Å; V112-E114 VanDerWaalsContact C-N 3.34Å; V112-E114 PolarHBondContact O-N 3.08Å; V112-C115 PolarHBondContact O-N 2.98Å; V112-L116 HydrophobicContact CG1-CD1 4.34Å; V112-L116 WeakPolarHBondContact O-CG 3.27Å; V112-L116 PolarHBondContact O-N 2.99Å; V112-L116 VanDerWaalsContact O-N 3.08Å; V112-L136 HydrophobicContact CG1-CB 4.39Å; V112-L136 HydrophobicContact CG1-CD2 4.07Å; V112-L136 WeakPolarHBondContact CG1-O 3.48Å; V112-L136 HydrophobicContact CG2-CD2 4.48Å; V112-E139 HydrophobicContact CG1-CB 4.45Å; V112-E139 HydrophobicContact CG2-CB 4.18Å; V112-E139 HydrophobicContact CG2-CG 3.73Å; V112-E139 WeakPolarHBondContact CG2-OE2 3.39Å; V112-K140 HydrophobicContact CG1-CB 3.94Å; V112-I143 HydrophobicContact CG2-CD1 4.19Å
113	T	96.9	Very high	95.3	Very high	50 Å²	50	51.9 Å²	51.9	31%	0.307	26%	0.255	S	S	.	.	H	α-helix	trans	-63.3	-43.5	178.9	-58.3	0	0	0	0	111	K109 E110 C111 L116 T117	K109-T113 WeakPolarHBondContact O-CB 3.47Å; K109-T113 PolarHBondContact O-N 2.88Å; K109-T113 VanDerWaalsContact O-N 3.09Å; K109-T113 PolarHBondContact O-OG1 3.16Å; E110-T113 PolarHBondContact O-N 3.09Å; C111-T113 VanDerWaalsContact C-N 3.33Å; C111-T113 PolarHBondContact O-N 3.36Å; T113-L116 WeakPolarHBondContact O-CB 3.38Å; T113-L116 PolarHBondContact O-N 3.35Å; T113-T117 WeakPolarHBondContact O-CG2 3.37Å; T113-T117 PolarHBondContact O-N 2.71Å
114	E	96.9	Very high	95.2	Very high	67 Å²	67	54.3 Å²	54.3	31%	0.313	26%	0.264	S	S	.	.	H	α-helix	trans	-68.2	-38.8	178.7	-173.5	173.2	165.4	0	0	112.1	E110 C111 V112 L116 T117 L118 L392 R396	E110-E114 WeakPolarHBondContact O-CB 3.41Å; E110-E114 PolarHBondContact O-N 3.31Å; C111-E114 PolarHBondContact O-N 3.22Å; V112-E114 VanDerWaalsContact C-N 3.34Å; V112-E114 PolarHBondContact O-N 3.08Å; E114-L116 VanDerWaalsContact C-N 3.32Å; E114-L116 PolarHBondContact O-N 3.5Å; E114-T117 WeakPolarHBondContact CA-OG1 3.4Å; E114-T117 PolarHBondContact O-N 2.91Å; E114-T117 VanDerWaalsContact O-N 3.1Å; E114-T117 PolarHBondContact O-OG1 3.22Å; E114-L118 WeakPolarHBondContact O-CG 3.34Å; E114-L118 PolarHBondContact O-N 3.33Å; E114-L392 HydrophobicContact CB-CD2 3.78Å; E114-L392 HydrophobicContact CG-CD2 3.57Å; E114-R396 IonicContact OE1-NH2 3.91Å; E114-R396 IonicContact OE2-CZ 3.73Å; E114-R396 IonicContact OE2-NH1 3.55Å; E114-R396 PolarHBondContact OE2-NH1 2.89Å; E114-R396 IonicContact OE2-NH2 2.66Å; E114-R396 PolarHBondContact OE2-NH2 3.19Å
115	C	97.1	Very high	95.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-56.9	-44.6	171.8	-68.6	0	0	0	0	111.8	C111 V112 T117 L118 R119 L136	C111-C115 PolarHBondContact O-N 2.83Å; C111-C115 PolarHBondContact O-SG 2.88Å; V112-C115 PolarHBondContact O-N 2.98Å; C115-T117 VanDerWaalsContact C-N 3.34Å; C115-T117 PolarHBondContact O-N 3.2Å; C115-L118 PolarHBondContact O-N 3.18Å; C115-R119 VanDerWaalsContact O-CG 3.27Å; C115-R119 WeakPolarHBondContact O-CG 3.38Å; C115-R119 PolarHBondContact O-N 2.73Å; C115-L136 HydrophobicContact CB-CD1 3.94Å; C115-L136 HydrophobicContact CB-CD2 3.73Å
116	L	97.1	Very high	95.2	Very high	18 Å²	18	58.8 Å²	58.8	9%	0.094	29%	0.285	C	S	.	.	H	α-helix	trans	-59.6	-45.3	174.8	-70.2	166	0	0	0	111	V112 T113 E114 L118 R119 D120 E133 L136 K137 K140	V112-L116 HydrophobicContact CG1-CD1 4.34Å; V112-L116 WeakPolarHBondContact O-CG 3.27Å; V112-L116 PolarHBondContact O-N 2.99Å; V112-L116 VanDerWaalsContact O-N 3.08Å; T113-L116 WeakPolarHBondContact O-CB 3.38Å; T113-L116 PolarHBondContact O-N 3.35Å; E114-L116 VanDerWaalsContact C-N 3.32Å; E114-L116 PolarHBondContact O-N 3.5Å; L116-L118 VanDerWaalsContact C-N 3.31Å; L116-L118 PolarHBondContact O-N 2.74Å; L116-R119 PolarHBondContact O-N 3.48Å; L116-R119 VanDerWaalsContact O-N 3.17Å; L116-D120 PolarHBondContact O-N 3Å; L116-E133 VanDerWaalsContact CD2-OE1 3.22Å; L116-E133 WeakPolarHBondContact CD2-OE1 3.29Å; L116-L136 HydrophobicContact CD2-CB 3.6Å; L116-L136 HydrophobicContact CD2-CD1 4.09Å; L116-L136 HydrophobicContact CD2-CG 4.48Å; L116-L136 HydrophobicContact CG-CB 3.96Å; L116-L136 HydrophobicContact CG-CD1 4.38Å; L116-K137 HydrophobicContact CD2-CG 4.2Å; L116-K140 HydrophobicContact CD1-CD 4.45Å
117	T	97.1	Very high	95.2	Very high	70 Å²	70	58.9 Å²	58.9	43%	0.429	29%	0.286	S	S	.	.	H	α-helix	trans	-66.4	-29.7	178.1	64.1	0	0	0	0	114.1	T113 E114 C115	T113-T117 WeakPolarHBondContact O-CG2 3.37Å; T113-T117 PolarHBondContact O-N 2.71Å; E114-T117 WeakPolarHBondContact CA-OG1 3.4Å; E114-T117 PolarHBondContact O-N 2.91Å; E114-T117 VanDerWaalsContact O-N 3.1Å; E114-T117 PolarHBondContact O-OG1 3.22Å; C115-T117 VanDerWaalsContact C-N 3.34Å; C115-T117 PolarHBondContact O-N 3.2Å
118	L	96.6	Very high	95.1	Very high	20 Å²	20	59.4 Å²	59.4	11%	0.105	29%	0.286	C	S	.	.	H	α-helix	trans	-67.9	-43.5	173.1	-72.7	176.4	0	0	0	110.2	E114 C115 L116 D120 K121 I385 D388 L392	E114-L118 WeakPolarHBondContact O-CG 3.34Å; E114-L118 PolarHBondContact O-N 3.33Å; C115-L118 PolarHBondContact O-N 3.18Å; L116-L118 VanDerWaalsContact C-N 3.31Å; L116-L118 PolarHBondContact O-N 2.74Å; L118-D120 PolarHBondContact O-N 3.35Å; L118-K121 VanDerWaalsContact O-CB 3.24Å; L118-K121 WeakPolarHBondContact O-CB 3.16Å; L118-K121 WeakPolarHBondContact O-CG 3.22Å; L118-K121 PolarHBondContact O-N 3.42Å; L118-K121 VanDerWaalsContact O-N 3.12Å; L118-I385 HydrophobicContact CB-CG2 4.34Å; L118-I385 WeakPolarHBondContact O-CG2 3.31Å; L118-D388 HydrophobicContact CD1-CB 4.1Å; L118-L392 HydrophobicContact CD1-CD2 4.19Å
119	R	96.2	Very high	95.1	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.015	31%	0.31	C	S	.	.	H	α-helix	trans	-67.9	-32.9	-179.9	-68.4	173.8	61.9	77.7	17.3	113.3	C115 L116 K121 R122 D130 E133 L136 I385 E386	C115-R119 VanDerWaalsContact O-CG 3.27Å; C115-R119 WeakPolarHBondContact O-CG 3.38Å; C115-R119 PolarHBondContact O-N 2.73Å; L116-R119 PolarHBondContact O-N 3.48Å; L116-R119 VanDerWaalsContact O-N 3.17Å; R119-K121 PolarHBondContact O-N 3.38Å; R119-R122 VanDerWaalsContact NH2-CZ 3.31Å; R119-R122 VanDerWaalsContact NH2-NH1 3.12Å; R119-R122 WeakPolarHBondContact O-CB 3.35Å; R119-R122 VanDerWaalsContact O-CG 3.31Å; R119-R122 WeakPolarHBondContact O-CG 3.43Å; R119-R122 PolarHBondContact O-N 3.05Å; R119-D130 IonicContact CZ-OD1 2.85Å; R119-D130 IonicContact NH2-OD1 3.65Å; R119-D130 PolarHBondContact NH2-OD1 2.94Å; R119-D130 IonicContact NH2-OD2 3.53Å; R119-D130 PolarHBondContact NH2-OD2 2.71Å; R119-E133 IonicContact NE-OE2 2.71Å; R119-E133 PolarHBondContact NE-OE2 3.47Å; R119-E133 VanDerWaalsContact NE-OE2 3.09Å; R119-L136 VanDerWaalsContact CD-CD1 3.42Å; R119-I385 HydrophobicContact CG-CG2 4.17Å; R119-E386 IonicContact CZ-OE1 3.16Å; R119-E386 VanDerWaalsContact NH1-CD 3.33Å; R119-E386 IonicContact NH1-OE1 3.93Å; R119-E386 PolarHBondContact NH1-OE1 3.35Å; R119-E386 IonicContact NH1-OE2 2.61Å; R119-E386 PolarHBondContact NH1-OE2 2.88Å
120	D	95.3	Very high	95.1	Very high	104 Å²	104	62.3 Å²	62.3	56%	0.556	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.2	171.7	-77.1	-23	0	0	0	113.3	L116 L118 R122	L116-D120 PolarHBondContact O-N 3Å; L118-D120 PolarHBondContact O-N 3.35Å; D120-R122 VanDerWaalsContact C-N 3.28Å; D120-R122 PolarHBondContact O-N 3.43Å
121	K	95.1	Very high	95.1	Very high	133 Å²	133	59.8 Å²	59.8	58%	0.578	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-12	175.8	-58.7	176.2	-176.4	174.3	0	113.4	L118 R119 I385	L118-K121 VanDerWaalsContact O-CB 3.24Å; L118-K121 WeakPolarHBondContact O-CB 3.16Å; L118-K121 WeakPolarHBondContact O-CG 3.22Å; L118-K121 PolarHBondContact O-N 3.42Å; L118-K121 VanDerWaalsContact O-N 3.12Å; R119-K121 PolarHBondContact O-N 3.38Å; K121-I385 HydrophobicContact CB-CD1 4.04Å
122	R	94.4	Very high	95.2	Very high	9 Å²	9	59.9 Å²	59.9	3%	0.034	30%	0.298	C	S	.	.			trans	-59.6	146.1	177.1	-71.6	-179.1	-177.8	-179.1	-1.7	110.2	R119 D120 D126 N127 D130 I385 E386	R119-R122 VanDerWaalsContact NH2-CZ 3.31Å; R119-R122 VanDerWaalsContact NH2-NH1 3.12Å; R119-R122 WeakPolarHBondContact O-CB 3.35Å; R119-R122 VanDerWaalsContact O-CG 3.31Å; R119-R122 WeakPolarHBondContact O-CG 3.43Å; R119-R122 PolarHBondContact O-N 3.05Å; D120-R122 VanDerWaalsContact C-N 3.28Å; D120-R122 PolarHBondContact O-N 3.43Å; R122-D126 VanDerWaalsContact CD-O 3.29Å; R122-D126 WeakPolarHBondContact CD-O 3.38Å; R122-D126 PolarHBondContact NH1-O 3.15Å; R122-N127 HydrophobicContact CB-CB 4.36Å; R122-D130 IonicContact CZ-OD2 2.71Å; R122-D130 IonicContact NH1-OD2 2.69Å; R122-D130 PolarHBondContact NH1-OD2 3.07Å; R122-D130 IonicContact NH2-OD2 3.06Å; R122-I385 HydrophobicContact CB-CD1 4.45Å; R122-I385 HydrophobicContact CG-CD1 3.67Å; R122-I385 HydrophobicContact CG-CG2 4.43Å; R122-E386 IonicContact CZ-OE1 2.69Å; R122-E386 IonicContact NE-OE1 2.68Å; R122-E386 IonicContact NH2-OE1 2.9Å; R122-E386 PolarHBondContact NH2-OE1 3.18Å; R122-E386 IonicContact NH2-OE2 3.2Å; R122-E386 PolarHBondContact NH2-OE2 3.48Å
123	K	92.7	Very high	95.2	Very high	103 Å²	103	60.7 Å²	60.7	45%	0.448	30%	0.302	S	S	.	.			trans	-113.9	153.4	-170.9	-61.7	177.6	-166.7	153	0	111.5	I125 D126 L378 E381	K123-I125 PolarHBondContact O-N 3.2Å; K123-D126 PolarHBondContact O-N 3.07Å; K123-D126 VanDerWaalsContact O-N 3.16Å; K123-L378 HydrophobicContact CB-CD2 4.05Å; K123-E381 WeakPolarHBondContact CD-OE2 3.44Å; K123-E381 WeakPolarHBondContact CE-OE2 3.38Å; K123-E381 IonicContact NZ-OE1 3.44Å; K123-E381 PolarHBondContact NZ-OE1 2.98Å; K123-E381 IonicContact NZ-OE2 3.85Å; K123-E381 PolarHBondContact NZ-OE2 3.46Å
124	R	92.6	Very high	95.2	Very high	184 Å²	184	61.6 Å²	61.6	69%	0.694	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	52	-125.7	169.7	-60.3	178.4	176.2	-179.7	1.2	111.6	D126 N127 L378	R124-D126 PolarHBondContact O-N 3.33Å; R124-N127 PolarHBondContact O-N 2.93Å; R124-L378 HydrophobicContact CB-CD1 4.46Å
125	I	93	Very high	95.3	Very high	120 Å²	120	60.6 Å²	60.6	62%	0.615	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-71.7	-17	-173.3	-163.3	60.5	0	0	0	113.2	K123 I128	K123-I125 PolarHBondContact O-N 3.2Å; I125-I128 WeakPolarHBondContact O-CG2 3.3Å
126	D	93.5	Very high	95.3	Very high	7 Å²	7	60.6 Å²	60.6	4%	0.037	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-86	-12.2	179.4	-68.7	-2.7	0	0	0	112.8	R122 K123 R124 I128 K379 S382	R122-D126 VanDerWaalsContact CD-O 3.29Å; R122-D126 WeakPolarHBondContact CD-O 3.38Å; R122-D126 PolarHBondContact NH1-O 3.15Å; K123-D126 PolarHBondContact O-N 3.07Å; K123-D126 VanDerWaalsContact O-N 3.16Å; R124-D126 PolarHBondContact O-N 3.33Å; D126-I128 PolarHBondContact O-N 3.41Å; D126-I128 VanDerWaalsContact O-N 3.09Å; D126-K379 WeakPolarHBondContact OD1-CE 3.4Å; D126-K379 IonicContact OD1-NZ 3.77Å; D126-K379 PolarHBondContact OD1-NZ 3.19Å; D126-K379 IonicContact OD2-NZ 2.84Å; D126-K379 PolarHBondContact OD2-NZ 2.96Å; D126-S382 VanDerWaalsContact CB-OG 3.23Å; D126-S382 WeakPolarHBondContact CB-OG 3.32Å; D126-S382 WeakPolarHBondContact OD2-CB 3.17Å; D126-S382 PolarHBondContact OD2-OG 3.21Å
127	N	93.5	Very high	95.3	Very high	92 Å²	92	63.7 Å²	63.7	49%	0.492	32%	0.315	S	S	.	.			trans	-78.9	89	173.1	-172.2	13	0	0	0	110.2	R122 R124	R122-N127 HydrophobicContact CB-CB 4.36Å; R124-N127 PolarHBondContact O-N 2.93Å
128	I	92.1	Very high	95.4	Very high	72 Å²	72	65 Å²	65	37%	0.369	32%	0.315	S	S	.	.			trans	-136.5	154.5	-174.6	62.2	168.7	0	0	0	111.9	I125 D126 D130	I125-I128 WeakPolarHBondContact O-CG2 3.3Å; D126-I128 PolarHBondContact O-N 3.41Å; D126-I128 VanDerWaalsContact O-N 3.09Å; I128-D130 HydrophobicContact CD1-CB 3.91Å; I128-D130 HydrophobicContact CG1-CB 4.04Å; I128-D130 PolarHBondContact O-N 2.97Å
129	E	93.2	Very high	95.4	Very high	131 Å²	131	64.2 Å²	64.2	61%	0.612	31%	0.311	S	S	*	.			trans	-84.2	84.3	168.8	-171.2	162	-145.8	0	0	109.7	E133 V134 K137	E129-E133 HydrophobicContact CG-CB 4.47Å; E129-E133 HydrophobicContact CG-CG 4.12Å; E129-V134 HydrophobicContact CG-CG2 4.12Å; E129-K137 IonicContact OE1-NZ 3.47Å; E129-K137 PolarHBondContact OE1-NZ 3.26Å
130	D	95.1	Very high	95.5	Very high	17 Å²	17	67.6 Å²	67.6	9%	0.091	33%	0.325	C	S	.	.			trans	-94.9	-176.8	179.1	62.2	21.5	0	0	0	112.3	R119 R122 I128 P132 E133 V134 R267	R119-D130 IonicContact CZ-OD1 2.85Å; R119-D130 IonicContact NH2-OD1 3.65Å; R119-D130 PolarHBondContact NH2-OD1 2.94Å; R119-D130 IonicContact NH2-OD2 3.53Å; R119-D130 PolarHBondContact NH2-OD2 2.71Å; R122-D130 IonicContact CZ-OD2 2.71Å; R122-D130 IonicContact NH1-OD2 2.69Å; R122-D130 PolarHBondContact NH1-OD2 3.07Å; R122-D130 IonicContact NH2-OD2 3.06Å; I128-D130 HydrophobicContact CD1-CB 3.91Å; I128-D130 HydrophobicContact CG1-CB 4.04Å; I128-D130 PolarHBondContact O-N 2.97Å; D130-P132 WeakPolarHBondContact OD1-CD 3.35Å; D130-P132 VanDerWaalsContact OD1-CG 3.3Å; D130-P132 WeakPolarHBondContact OD1-CG 3.38Å; D130-E133 WeakPolarHBondContact O-CB 3.49Å; D130-E133 PolarHBondContact O-N 3.24Å; D130-E133 PolarHBondContact OD1-N 2.96Å; D130-E133 VanDerWaalsContact OD1-N 3.14Å; D130-V134 WeakPolarHBondContact O-CG2 3.48Å; D130-V134 PolarHBondContact O-N 3.33Å; D130-V134 VanDerWaalsContact O-N 3.08Å; D130-R267 IonicContact OD2-CZ 2.89Å; D130-R267 IonicContact OD2-NE 2.7Å; D130-R267 PolarHBondContact OD2-NE 3.01Å
131	A	97.2	Very high	95.6	Very high	55 Å²	55	67.7 Å²	67.7	46%	0.455	32%	0.322	S	S	.	.	H	α-helix	trans	-55	-48.6	-179.6	0	0	0	0	0	113.5	E133 V134 Q135 A263	A131-E133 PolarHBondContact O-N 3.47Å; A131-V134 PolarHBondContact O-N 3.06Å; A131-Q135 WeakPolarHBondContact O-CG 3.42Å; A131-Q135 PolarHBondContact O-N 3.45Å; A131-A263 HydrophobicContact CB-CB 4.39Å
132	P	97	Very high	95.7	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.013	30%	0.303	C	S	.	.	H	α-helix	trans	-61.9	-37.7	176	5.2	-13.4	0	0	0	114.4	D130 V134 Q135 L136 A263 L264 R267	D130-P132 WeakPolarHBondContact OD1-CD 3.35Å; D130-P132 VanDerWaalsContact OD1-CG 3.3Å; D130-P132 WeakPolarHBondContact OD1-CG 3.38Å; P132-V134 VanDerWaalsContact C-N 3.35Å; P132-V134 PolarHBondContact O-N 3.45Å; P132-Q135 PolarHBondContact O-N 3.5Å; P132-L136 WeakPolarHBondContact O-CB 3.4Å; P132-L136 VanDerWaalsContact O-CG 3.32Å; P132-L136 WeakPolarHBondContact O-CG 3.23Å; P132-L136 PolarHBondContact O-N 2.72Å; P132-A263 HydrophobicContact CB-CB 4.22Å; P132-L264 HydrophobicContact CB-CD2 3.58Å; P132-L264 HydrophobicContact CB-CG 3.93Å; P132-L264 HydrophobicContact CG-CD2 4.39Å; P132-R267 HydrophobicContact CG-CB 3.56Å; P132-R267 HydrophobicContact CG-CG 3.85Å
133	E	96.2	Very high	95.9	Very high	17 Å²	17	62.2 Å²	62.2	8%	0.079	30%	0.301	C	S	.	.	H	α-helix	trans	-59.1	-46.6	175	-172.2	63.2	-157.2	0	0	111.4	L116 R119 E129 D130 A131 L136 K137	L116-E133 VanDerWaalsContact CD2-OE1 3.22Å; L116-E133 WeakPolarHBondContact CD2-OE1 3.29Å; R119-E133 IonicContact NE-OE2 2.71Å; R119-E133 PolarHBondContact NE-OE2 3.47Å; R119-E133 VanDerWaalsContact NE-OE2 3.09Å; E129-E133 HydrophobicContact CG-CB 4.47Å; E129-E133 HydrophobicContact CG-CG 4.12Å; D130-E133 WeakPolarHBondContact O-CB 3.49Å; D130-E133 PolarHBondContact O-N 3.24Å; D130-E133 PolarHBondContact OD1-N 2.96Å; D130-E133 VanDerWaalsContact OD1-N 3.14Å; A131-E133 PolarHBondContact O-N 3.47Å; E133-L136 PolarHBondContact O-N 2.98Å; E133-K137 WeakPolarHBondContact O-CG 3.48Å; E133-K137 PolarHBondContact O-N 3.31Å; E133-K137 WeakPolarHBondContact OE1-CE 3.24Å; E133-K137 IonicContact OE1-NZ 3.3Å
134	V	97.8	Very high	96.1	Very high	68 Å²	68	59.9 Å²	59.9	41%	0.412	29%	0.293	S	S	.	.	H	α-helix	trans	-62.7	-44.4	177	173.3	0	0	0	0	111.4	E129 D130 A131 P132 K137 K138	E129-V134 HydrophobicContact CG-CG2 4.12Å; D130-V134 WeakPolarHBondContact O-CG2 3.48Å; D130-V134 PolarHBondContact O-N 3.33Å; D130-V134 VanDerWaalsContact O-N 3.08Å; A131-V134 PolarHBondContact O-N 3.06Å; P132-V134 VanDerWaalsContact C-N 3.35Å; P132-V134 PolarHBondContact O-N 3.45Å; V134-K137 PolarHBondContact O-N 3.09Å; V134-K138 WeakPolarHBondContact O-CB 3.49Å; V134-K138 PolarHBondContact O-N 3.14Å
135	Q	98	Very high	96.3	Very high	47 Å²	47	56.7 Å²	56.7	22%	0.22	29%	0.285	C	S	.	.	H	α-helix	trans	-68.3	-37.6	-179.7	-66.2	-56.7	-25.9	0	0	112.5	A131 P132 K138 E139 Q256 T260 A263	A131-Q135 WeakPolarHBondContact O-CG 3.42Å; A131-Q135 PolarHBondContact O-N 3.45Å; P132-Q135 PolarHBondContact O-N 3.5Å; Q135-K138 PolarHBondContact O-N 2.62Å; Q135-E139 WeakPolarHBondContact O-CB 3.36Å; Q135-E139 PolarHBondContact O-N 2.94Å; Q135-Q256 PolarHBondContact O-NE2 2.94Å; Q135-T260 HydrophobicContact CB-CG2 4.07Å; Q135-T260 PolarHBondContact O-OG1 3.43Å; Q135-A263 HydrophobicContact CB-CB 4.37Å; Q135-A263 HydrophobicContact CG-CB 3.89Å
136	L	97.7	Very high	96.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.7	-45.1	174.7	-77.7	166.2	0	0	0	111.7	V112 C115 L116 R119 P132 E133 K138 E139 K140 T260	V112-L136 HydrophobicContact CG1-CB 4.39Å; V112-L136 HydrophobicContact CG1-CD2 4.07Å; V112-L136 WeakPolarHBondContact CG1-O 3.48Å; V112-L136 HydrophobicContact CG2-CD2 4.48Å; C115-L136 HydrophobicContact CB-CD1 3.94Å; C115-L136 HydrophobicContact CB-CD2 3.73Å; L116-L136 HydrophobicContact CD2-CB 3.6Å; L116-L136 HydrophobicContact CD2-CD1 4.09Å; L116-L136 HydrophobicContact CD2-CG 4.48Å; L116-L136 HydrophobicContact CG-CB 3.96Å; L116-L136 HydrophobicContact CG-CD1 4.38Å; R119-L136 VanDerWaalsContact CD-CD1 3.42Å; P132-L136 WeakPolarHBondContact O-CB 3.4Å; P132-L136 VanDerWaalsContact O-CG 3.32Å; P132-L136 WeakPolarHBondContact O-CG 3.23Å; P132-L136 PolarHBondContact O-N 2.72Å; E133-L136 PolarHBondContact O-N 2.98Å; L136-K138 VanDerWaalsContact C-N 3.32Å; L136-K138 PolarHBondContact O-N 2.89Å; L136-E139 PolarHBondContact O-N 3.5Å; L136-K140 PolarHBondContact O-N 2.88Å; L136-T260 HydrophobicContact CB-CG2 4.48Å; L136-T260 HydrophobicContact CD2-CG2 3.61Å; L136-T260 HydrophobicContact CG-CG2 3.7Å
137	K	97.8	Very high	96.6	Very high	82 Å²	82	53.4 Å²	53.4	36%	0.357	27%	0.268	S	S	.	.	H	α-helix	trans	-60.2	-43.7	174.4	-71.7	177.3	-172.1	172.9	0	111.3	L116 E129 E133 V134 K140 E141	L116-K137 HydrophobicContact CD2-CG 4.2Å; E129-K137 IonicContact OE1-NZ 3.47Å; E129-K137 PolarHBondContact OE1-NZ 3.26Å; E133-K137 WeakPolarHBondContact O-CG 3.48Å; E133-K137 PolarHBondContact O-N 3.31Å; E133-K137 WeakPolarHBondContact OE1-CE 3.24Å; E133-K137 IonicContact OE1-NZ 3.3Å; V134-K137 PolarHBondContact O-N 3.09Å; K137-K140 WeakPolarHBondContact O-CB 3.45Å; K137-K140 PolarHBondContact O-N 3.31Å; K137-E141 PolarHBondContact O-N 2.62Å
138	K	98.1	Very high	96.8	Very high	98 Å²	98	56 Å²	56	43%	0.426	28%	0.275	S	S	.	.	H	α-helix	trans	-64.5	-39.8	176.4	-171.6	-179.5	174.3	-144.1	0	112.3	V134 Q135 L136 K140 E141 V142 Q256	V134-K138 WeakPolarHBondContact O-CB 3.49Å; V134-K138 PolarHBondContact O-N 3.14Å; Q135-K138 PolarHBondContact O-N 2.62Å; L136-K138 VanDerWaalsContact C-N 3.32Å; L136-K138 PolarHBondContact O-N 2.89Å; K138-K140 VanDerWaalsContact C-N 3.35Å; K138-E141 WeakPolarHBondContact O-CB 3.42Å; K138-E141 PolarHBondContact O-N 2.97Å; K138-V142 WeakPolarHBondContact O-CG2 3.49Å; K138-V142 PolarHBondContact O-N 3.15Å; K138-Q256 VanDerWaalsContact CD-OE1 3.31Å
139	E	97.7	Very high	97.1	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.019	27%	0.274	C	S	.	.	H	α-helix	trans	-60.1	-45.1	174.7	-167.3	176.2	-172	0	0	111.1	V112 Q135 L136 E141 V142 I143 Q256 A257 T260 R393	V112-E139 HydrophobicContact CG1-CB 4.45Å; V112-E139 HydrophobicContact CG2-CB 4.18Å; V112-E139 HydrophobicContact CG2-CG 3.73Å; V112-E139 WeakPolarHBondContact CG2-OE2 3.39Å; Q135-E139 WeakPolarHBondContact O-CB 3.36Å; Q135-E139 PolarHBondContact O-N 2.94Å; L136-E139 PolarHBondContact O-N 3.5Å; E139-E141 VanDerWaalsContact C-N 3.34Å; E139-E141 PolarHBondContact O-N 3.08Å; E139-V142 PolarHBondContact O-N 2.94Å; E139-I143 HydrophobicContact CG-CD1 4.18Å; E139-I143 WeakPolarHBondContact O-CB 3.48Å; E139-I143 VanDerWaalsContact O-CG1 3.3Å; E139-I143 WeakPolarHBondContact O-CG1 3.37Å; E139-I143 PolarHBondContact O-N 2.85Å; E139-Q256 HydrophobicContact CB-CG 3.87Å; E139-Q256 HydrophobicContact CG-CG 4.16Å; E139-A257 WeakPolarHBondContact OE1-CA 3.45Å; E139-A257 WeakPolarHBondContact OE1-CB 3.22Å; E139-T260 WeakPolarHBondContact OE2-CB 3.5Å; E139-T260 WeakPolarHBondContact OE2-CG2 3.4Å; E139-T260 PolarHBondContact OE2-OG1 3.49Å; E139-R393 IonicContact OE1-CZ 3.15Å; E139-R393 IonicContact OE1-NH1 2.66Å; E139-R393 PolarHBondContact OE1-NH1 3.42Å; E139-R393 IonicContact OE1-NH2 3.94Å; E139-R393 PolarHBondContact OE1-NH2 3.42Å; E139-R393 IonicContact OE2-CZ 2.83Å; E139-R393 IonicContact OE2-NH1 2.64Å; E139-R393 PolarHBondContact OE2-NH1 3.36Å; E139-R393 IonicContact OE2-NH2 2.88Å; E139-R393 PolarHBondContact OE2-NH2 3Å
140	K	97.3	Very high	97.3	Very high	75 Å²	75	50.2 Å²	50.2	33%	0.326	25%	0.245	S	C	.	.	H	α-helix	trans	-58.8	-43.8	173.7	-173.6	175	180	172.3	0	112.3	V112 L116 L136 K137 K138 I143 D144	V112-K140 HydrophobicContact CG1-CB 3.94Å; L116-K140 HydrophobicContact CD1-CD 4.45Å; L136-K140 PolarHBondContact O-N 2.88Å; K137-K140 WeakPolarHBondContact O-CB 3.45Å; K137-K140 PolarHBondContact O-N 3.31Å; K138-K140 VanDerWaalsContact C-N 3.35Å; K140-I143 WeakPolarHBondContact O-CB 3.46Å; K140-I143 PolarHBondContact O-N 3.19Å; K140-D144 PolarHBondContact O-N 3.26Å
141	E	97.7	Very high	97.4	Very high	105 Å²	105	53.1 Å²	53.1	49%	0.491	26%	0.259	S	S	.	.	H	α-helix	trans	-63.9	-42.5	176.4	-74.1	-173.2	-163.3	0	0	113.3	K137 K138 E139 I143 D144 K145	K137-E141 PolarHBondContact O-N 2.62Å; K138-E141 WeakPolarHBondContact O-CB 3.42Å; K138-E141 PolarHBondContact O-N 2.97Å; E139-E141 VanDerWaalsContact C-N 3.34Å; E139-E141 PolarHBondContact O-N 3.08Å; E141-I143 VanDerWaalsContact C-N 3.33Å; E141-D144 PolarHBondContact O-N 3.02Å; E141-K145 WeakPolarHBondContact O-CB 3.38Å; E141-K145 VanDerWaalsContact O-CG 3.29Å; E141-K145 WeakPolarHBondContact O-CG 3.38Å; E141-K145 PolarHBondContact O-N 3.04Å; E141-K145 IonicContact OE2-NZ 3.47Å; E141-K145 PolarHBondContact OE2-NZ 3.01Å
142	V	97.9	Very high	97.5	Very high	27 Å²	27	55.9 Å²	55.9	16%	0.164	26%	0.262	C	S	.	.	H	α-helix	trans	-62.8	-44.5	177.3	171.4	0	0	0	0	109.6	K138 E139 D144 K145 S146 D252 L253 Q256	K138-V142 WeakPolarHBondContact O-CG2 3.49Å; K138-V142 PolarHBondContact O-N 3.15Å; E139-V142 PolarHBondContact O-N 2.94Å; V142-D144 PolarHBondContact O-N 3.09Å; V142-K145 PolarHBondContact O-N 3.4Å; V142-S146 VanDerWaalsContact O-CB 3.28Å; V142-S146 WeakPolarHBondContact O-CB 3.27Å; V142-S146 PolarHBondContact O-N 3.01Å; V142-S146 PolarHBondContact O-OG 3.41Å; V142-S146 VanDerWaalsContact O-OG 3.07Å; V142-D252 HydrophobicContact CG1-CB 4.17Å; V142-L253 HydrophobicContact CG1-CD2 4.17Å; V142-Q256 HydrophobicContact CB-CG 4.39Å; V142-Q256 HydrophobicContact CG2-CB 4.39Å; V142-Q256 HydrophobicContact CG2-CG 4.08Å
143	I	97.1	Very high	97.5	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-55.7	-49.9	173.9	-76.5	168.4	0	0	0	111.5	I105 P108 K109 V112 E139 K140 E141 K145 S146 N147 L253	I105-I143 HydrophobicContact CG2-CG2 3.64Å; P108-I143 HydrophobicContact CB-CD1 4.06Å; K109-I143 HydrophobicContact CB-CG2 3.8Å; K109-I143 HydrophobicContact CD-CG2 3.92Å; K109-I143 HydrophobicContact CG-CG2 3.89Å; V112-I143 HydrophobicContact CG2-CD1 4.19Å; E139-I143 HydrophobicContact CG-CD1 4.18Å; E139-I143 WeakPolarHBondContact O-CB 3.48Å; E139-I143 VanDerWaalsContact O-CG1 3.3Å; E139-I143 WeakPolarHBondContact O-CG1 3.37Å; E139-I143 PolarHBondContact O-N 2.85Å; K140-I143 WeakPolarHBondContact O-CB 3.46Å; K140-I143 PolarHBondContact O-N 3.19Å; E141-I143 VanDerWaalsContact C-N 3.33Å; I143-K145 PolarHBondContact O-N 3.48Å; I143-S146 PolarHBondContact O-N 3.3Å; I143-N147 WeakPolarHBondContact O-CB 3.42Å; I143-N147 PolarHBondContact O-N 3.06Å; I143-L253 HydrophobicContact CB-CD2 4.35Å; I143-L253 HydrophobicContact CG1-CD2 3.5Å; I143-L253 VanDerWaalsContact CG1-CD2 3.5Å
144	D	97.2	Very high	97.6	Very high	53 Å²	53	57 Å²	57	28%	0.283	27%	0.267	S	S	.	.	H	α-helix	trans	-66.4	-38.4	-178.7	-76.5	-24.9	0	0	0	112.4	K109 K140 E141 V142 K148	K109-D144 WeakPolarHBondContact CE-OD1 3.33Å; K109-D144 IonicContact NZ-OD1 2.83Å; K109-D144 PolarHBondContact NZ-OD1 3.25Å; K140-D144 PolarHBondContact O-N 3.26Å; E141-D144 PolarHBondContact O-N 3.02Å; V142-D144 PolarHBondContact O-N 3.09Å; D144-K148 WeakPolarHBondContact O-CG 3.28Å; D144-K148 PolarHBondContact O-N 2.91Å
145	K	97.6	Very high	97.6	Very high	118 Å²	118	57.6 Å²	57.6	51%	0.513	27%	0.268	S	S	.	.	H	α-helix	trans	-65.9	-43.8	174.5	-73.7	168.2	-174.6	158.1	0	111.2	E141 V142 I143 K148 K149	E141-K145 WeakPolarHBondContact O-CB 3.38Å; E141-K145 VanDerWaalsContact O-CG 3.29Å; E141-K145 WeakPolarHBondContact O-CG 3.38Å; E141-K145 PolarHBondContact O-N 3.04Å; E141-K145 IonicContact OE2-NZ 3.47Å; E141-K145 PolarHBondContact OE2-NZ 3.01Å; V142-K145 PolarHBondContact O-N 3.4Å; I143-K145 PolarHBondContact O-N 3.48Å; K145-K148 PolarHBondContact O-N 3.39Å; K145-K149 WeakPolarHBondContact O-CG 3.41Å; K145-K149 PolarHBondContact O-N 3.06Å; K145-K149 VanDerWaalsContact O-N 3.08Å
146	S	97.2	Very high	97.7	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.014	27%	0.274	C	S	.	.	H	α-helix	trans	-61	-45.8	176.6	-73	0	0	0	0	111.6	V142 I143 K148 K149 L150	V142-S146 VanDerWaalsContact O-CB 3.28Å; V142-S146 WeakPolarHBondContact O-CB 3.27Å; V142-S146 PolarHBondContact O-N 3.01Å; V142-S146 PolarHBondContact O-OG 3.41Å; V142-S146 VanDerWaalsContact O-OG 3.07Å; I143-S146 PolarHBondContact O-N 3.3Å; S146-K148 VanDerWaalsContact C-N 3.3Å; S146-K148 PolarHBondContact O-N 2.91Å; S146-K149 WeakPolarHBondContact O-CB 3.49Å; S146-K149 PolarHBondContact O-N 3.49Å; S146-K149 VanDerWaalsContact O-N 3.15Å; S146-L150 WeakPolarHBondContact O-CG 3.47Å; S146-L150 PolarHBondContact O-N 3.36Å
147	N	96.2	Very high	97.7	Very high	55 Å²	55	58.9 Å²	58.9	29%	0.294	27%	0.274	S	S	.	.	H	α-helix	trans	-61.7	-38.5	178.5	-162.1	31.8	0	0	0	112.3	M102 I143 L150 Q151	M102-N147 WeakPolarHBondContact CE-OD1 3.5Å; I143-N147 WeakPolarHBondContact O-CB 3.42Å; I143-N147 PolarHBondContact O-N 3.06Å; N147-L150 PolarHBondContact O-N 3.17Å; N147-Q151 WeakPolarHBondContact O-CB 3.43Å; N147-Q151 PolarHBondContact O-N 3.27Å
148	K	97.4	Very high	97.7	Very high	147 Å²	147	60.5 Å²	60.5	64%	0.639	28%	0.281	S	S	*	.	H	α-helix	trans	-63.2	-43.9	173.6	-72.8	175.8	-177.5	179.2	0	112.6	D144 K145 S146 L150 Q151 Q152	D144-K148 WeakPolarHBondContact O-CG 3.28Å; D144-K148 PolarHBondContact O-N 2.91Å; K145-K148 PolarHBondContact O-N 3.39Å; S146-K148 VanDerWaalsContact C-N 3.3Å; S146-K148 PolarHBondContact O-N 2.91Å; K148-L150 VanDerWaalsContact C-N 3.32Å; K148-L150 PolarHBondContact O-N 3.2Å; K148-Q151 PolarHBondContact O-N 3.46Å; K148-Q152 WeakPolarHBondContact O-CG 3.43Å; K148-Q152 PolarHBondContact O-N 3.29Å; K148-Q152 VanDerWaalsContact O-N 3.08Å
149	K	97.6	Very high	97.7	Very high	81 Å²	81	61.9 Å²	61.9	35%	0.352	29%	0.289	S	S	.	.	H	α-helix	trans	-60.8	-42.8	176.3	-71.1	177.8	-179.2	178.4	0	111.2	K145 S146 Q152 K153 T245	K145-K149 WeakPolarHBondContact O-CG 3.41Å; K145-K149 PolarHBondContact O-N 3.06Å; K145-K149 VanDerWaalsContact O-N 3.08Å; S146-K149 WeakPolarHBondContact O-CB 3.49Å; S146-K149 PolarHBondContact O-N 3.49Å; S146-K149 VanDerWaalsContact O-N 3.15Å; K149-Q152 PolarHBondContact O-N 2.97Å; K149-K153 PolarHBondContact O-N 3.12Å; K149-T245 HydrophobicContact CB-CG2 4.3Å
150	L	97.7	Very high	97.7	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.3	-45.9	177.8	-65.8	173.5	0	0	0	111.4	V98 Q101 M102 I105 S146 N147 K148 Q152 K153 V154 T245 L246 V249	V98-L150 HydrophobicContact CG1-CB 3.79Å; V98-L150 HydrophobicContact CG1-CD2 3.94Å; V98-L150 HydrophobicContact CG1-CG 4.43Å; V98-L150 VanDerWaalsContact CG1-O 3.26Å; V98-L150 WeakPolarHBondContact CG1-O 3.48Å; Q101-L150 HydrophobicContact CB-CD1 4.29Å; Q101-L150 HydrophobicContact CG-CD1 3.77Å; Q101-L150 HydrophobicContact CG-CD2 4.25Å; M102-L150 HydrophobicContact CG-CB 3.5Å; M102-L150 HydrophobicContact CG-CD1 3.7Å; M102-L150 HydrophobicContact CG-CG 4.26Å; M102-L150 HydrophobicContact SD-CB 3.92Å; I105-L150 HydrophobicContact CD1-CD1 3.42Å; I105-L150 VanDerWaalsContact CD1-CD1 3.42Å; S146-L150 WeakPolarHBondContact O-CG 3.47Å; S146-L150 PolarHBondContact O-N 3.36Å; N147-L150 PolarHBondContact O-N 3.17Å; K148-L150 VanDerWaalsContact C-N 3.32Å; K148-L150 PolarHBondContact O-N 3.2Å; L150-Q152 VanDerWaalsContact C-N 3.3Å; L150-Q152 PolarHBondContact O-N 3.32Å; L150-K153 WeakPolarHBondContact O-CA 3.49Å; L150-K153 WeakPolarHBondContact O-CB 3.21Å; L150-K153 PolarHBondContact O-N 3.32Å; L150-V154 PolarHBondContact O-N 2.79Å; L150-T245 HydrophobicContact CD2-CG2 4.34Å; L150-L246 HydrophobicContact CD2-CD2 3.88Å; L150-V249 HydrophobicContact CD1-CG1 4.16Å; L150-V249 HydrophobicContact CD2-CG2 4.15Å; L150-V249 HydrophobicContact CG-CG2 4.25Å
151	Q	97.9	Very high	97.7	Very high	79 Å²	79	61.9 Å²	61.9	37%	0.369	29%	0.288	S	S	.	.	H	α-helix	trans	-56.8	-43.7	176.9	-176.3	63	61.2	0	0	112	M102 N147 K148 K153 V154 D155	M102-Q151 HydrophobicContact CE-CB 4.1Å; M102-Q151 VanDerWaalsContact CE-OE1 3.29Å; N147-Q151 WeakPolarHBondContact O-CB 3.43Å; N147-Q151 PolarHBondContact O-N 3.27Å; K148-Q151 PolarHBondContact O-N 3.46Å; Q151-K153 PolarHBondContact O-N 2.98Å; Q151-V154 WeakPolarHBondContact O-CB 2.94Å; Q151-V154 PolarHBondContact O-N 3.23Å; Q151-V154 VanDerWaalsContact O-N 3.08Å; Q151-D155 PolarHBondContact NE2-OD1 3.17Å; Q151-D155 VanDerWaalsContact O-CG 3.26Å; Q151-D155 PolarHBondContact O-N 2.91Å
152	Q	98.3	Very high	97.7	Very high	113 Å²	113	60.3 Å²	60.3	53%	0.528	28%	0.282	S	S	.	.	H	α-helix	trans	-56.5	-39.4	175.1	-73	173.3	-13.3	0	0	111.9	K148 K149 L150 D155 E156	K148-Q152 WeakPolarHBondContact O-CG 3.43Å; K148-Q152 PolarHBondContact O-N 3.29Å; K148-Q152 VanDerWaalsContact O-N 3.08Å; K149-Q152 PolarHBondContact O-N 2.97Å; L150-Q152 VanDerWaalsContact C-N 3.3Å; L150-Q152 PolarHBondContact O-N 3.32Å; Q152-D155 PolarHBondContact O-N 3.45Å; Q152-E156 WeakPolarHBondContact O-CB 3.37Å; Q152-E156 VanDerWaalsContact O-CG 3.29Å; Q152-E156 WeakPolarHBondContact O-CG 3.41Å; Q152-E156 PolarHBondContact O-N 3.01Å
153	K	97.8	Very high	97.7	Very high	33 Å²	33	62 Å²	62	14%	0.143	29%	0.29	C	S	.	.	H	α-helix	trans	-70.9	-32.4	176.5	-66.4	-47.2	-179.2	-161.5	0	113.8	V98 K149 L150 Q151 E156 A157 I242 T245	V98-K153 HydrophobicContact CG1-CB 4.32Å; V98-K153 HydrophobicContact CG2-CB 4.38Å; K149-K153 PolarHBondContact O-N 3.12Å; L150-K153 WeakPolarHBondContact O-CA 3.49Å; L150-K153 WeakPolarHBondContact O-CB 3.21Å; L150-K153 PolarHBondContact O-N 3.32Å; Q151-K153 PolarHBondContact O-N 2.98Å; K153-E156 IonicContact NZ-OE1 3.05Å; K153-E156 PolarHBondContact NZ-OE1 3.23Å; K153-E156 IonicContact NZ-OE2 2.91Å; K153-E156 PolarHBondContact NZ-OE2 3.31Å; K153-A157 VanDerWaalsContact O-CB 3.23Å; K153-A157 WeakPolarHBondContact O-CB 3.3Å; K153-A157 PolarHBondContact O-N 3.25Å; K153-I242 HydrophobicContact CB-CG1 4.18Å; K153-T245 HydrophobicContact CG-CG2 4.07Å
154	V	98.2	Very high	97.8	Very high	10 Å²	10	61.9 Å²	61.9	6%	0.061	29%	0.29	C	S	.	.	H	α-helix	trans	-63.3	-45.8	170.9	177.8	0	0	0	0	110.5	K95 V98 E99 M102 L150 Q151 A157 F158	K95-V154 HydrophobicContact CG-CG1 4.21Å; V98-V154 HydrophobicContact CB-CG2 4.06Å; V98-V154 HydrophobicContact CG1-CG2 3.47Å; V98-V154 VanDerWaalsContact CG1-CG2 3.47Å; E99-V154 HydrophobicContact CG-CG1 4.22Å; E99-V154 HydrophobicContact CG-CG2 3.87Å; M102-V154 HydrophobicContact SD-CG2 3.81Å; L150-V154 PolarHBondContact O-N 2.79Å; Q151-V154 WeakPolarHBondContact O-CB 2.94Å; Q151-V154 PolarHBondContact O-N 3.23Å; Q151-V154 VanDerWaalsContact O-N 3.08Å; V154-A157 PolarHBondContact O-N 2.81Å; V154-F158 WeakPolarHBondContact O-CB 3.48Å; V154-F158 PolarHBondContact O-N 2.98Å
155	D	98.3	Very high	97.9	Very high	79 Å²	79	64.9 Å²	64.9	42%	0.422	30%	0.3	S	S	.	.	H	α-helix	trans	-64.8	-47.9	-179.2	-59.7	-20.5	0	0	0	110.8	Q151 Q152 A157 F158 E159	Q151-D155 PolarHBondContact NE2-OD1 3.17Å; Q151-D155 VanDerWaalsContact O-CG 3.26Å; Q151-D155 PolarHBondContact O-N 2.91Å; Q152-D155 PolarHBondContact O-N 3.45Å; D155-A157 VanDerWaalsContact C-N 3.31Å; D155-A157 PolarHBondContact O-N 3.2Å; D155-F158 PolarHBondContact O-N 3.03Å; D155-E159 WeakPolarHBondContact O-CG 3.41Å; D155-E159 PolarHBondContact O-N 3.34Å
156	E	98.4	Very high	97.9	Very high	74 Å²	74	63.6 Å²	63.6	35%	0.346	30%	0.296	S	S	.	.	H	α-helix	trans	-57.4	-42	174.4	-74.2	174.3	-143.5	0	0	111.9	Q152 K153 R160 L238	Q152-E156 WeakPolarHBondContact O-CB 3.37Å; Q152-E156 VanDerWaalsContact O-CG 3.29Å; Q152-E156 WeakPolarHBondContact O-CG 3.41Å; Q152-E156 PolarHBondContact O-N 3.01Å; K153-E156 IonicContact NZ-OE1 3.05Å; K153-E156 PolarHBondContact NZ-OE1 3.23Å; K153-E156 IonicContact NZ-OE2 2.91Å; K153-E156 PolarHBondContact NZ-OE2 3.31Å; E156-R160 WeakPolarHBondContact O-CB 3.3Å; E156-R160 PolarHBondContact O-N 3.35Å; E156-L238 HydrophobicContact CB-CD1 3.9Å; E156-L238 HydrophobicContact CB-CD2 4.36Å; E156-L238 WeakPolarHBondContact O-CD2 3.29Å; E156-L238 VanDerWaalsContact OE2-CD1 3.27Å; E156-L238 WeakPolarHBondContact OE2-CD1 3.28Å
157	A	98.2	Very high	97.9	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-66.7	-41.8	178.1	0	0	0	0	0	111.9	V91 K95 K153 V154 D155 R160 M161 L238 I242	V91-A157 HydrophobicContact CG1-CB 4.23Å; K95-A157 HydrophobicContact CB-CB 3.86Å; K95-A157 HydrophobicContact CG-CB 4.21Å; K153-A157 VanDerWaalsContact O-CB 3.23Å; K153-A157 WeakPolarHBondContact O-CB 3.3Å; K153-A157 PolarHBondContact O-N 3.25Å; V154-A157 PolarHBondContact O-N 2.81Å; D155-A157 VanDerWaalsContact C-N 3.31Å; D155-A157 PolarHBondContact O-N 3.2Å; A157-R160 PolarHBondContact O-N 3.21Å; A157-M161 WeakPolarHBondContact O-CB 3.16Å; A157-M161 VanDerWaalsContact O-CG 3.25Å; A157-M161 WeakPolarHBondContact O-CG 3.33Å; A157-M161 PolarHBondContact O-N 3.41Å; A157-L238 HydrophobicContact CB-CD2 4.36Å; A157-I242 HydrophobicContact CB-CD1 4.17Å
158	F	98	Very high	98.1	Very high	117 Å²	117	64.4 Å²	64.4	51%	0.513	30%	0.295	S	S	.	.	H	α-helix	trans	-62.2	-47.6	177	-178.8	-99.6	0	0	0	111.8	V154 D155 R160 M161 I162	V154-F158 WeakPolarHBondContact O-CB 3.48Å; V154-F158 PolarHBondContact O-N 2.98Å; D155-F158 PolarHBondContact O-N 3.03Å; F158-R160 PolarHBondContact O-N 3.04Å; F158-M161 WeakPolarHBondContact O-CB 3.37Å; F158-M161 PolarHBondContact O-N 2.97Å; F158-I162 HydrophobicContact CD1-CD1 4.01Å; F158-I162 HydrophobicContact CE1-CD1 3.54Å; F158-I162 HydrophobicContact CE1-CG1 4.47Å; F158-I162 HydrophobicContact CZ-CD1 4.03Å; F158-I162 PolarHBondContact O-N 2.86Å
159	E	97.9	Very high	98.1	Very high	127 Å²	127	61.9 Å²	61.9	59%	0.593	29%	0.285	S	S	*	.	H	α-helix	trans	-60.1	-45.2	175.8	-71.6	-178.5	177.4	0	0	111.7	D155 M161 I162 L163	D155-E159 WeakPolarHBondContact O-CG 3.41Å; D155-E159 PolarHBondContact O-N 3.34Å; E159-M161 VanDerWaalsContact C-N 3.3Å; E159-M161 PolarHBondContact O-N 3.43Å; E159-I162 WeakPolarHBondContact O-CB 3.25Å; E159-I162 PolarHBondContact O-N 3.28Å; E159-I162 VanDerWaalsContact O-N 3.12Å; E159-L163 PolarHBondContact O-N 3.03Å; E159-L163 VanDerWaalsContact O-N 3.16Å
160	R	97.4	Very high	98.1	Very high	60 Å²	60	61.3 Å²	61.3	23%	0.226	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-38.9	178	-175.4	60.1	65.9	-169.2	-1.5	112	E156 A157 F158 I162 L163 L164 E231 L238	E156-R160 WeakPolarHBondContact O-CB 3.3Å; E156-R160 PolarHBondContact O-N 3.35Å; A157-R160 PolarHBondContact O-N 3.21Å; F158-R160 PolarHBondContact O-N 3.04Å; R160-I162 VanDerWaalsContact C-N 3.29Å; R160-I162 PolarHBondContact O-N 3.39Å; R160-L163 PolarHBondContact O-N 3.4Å; R160-L164 HydrophobicContact CG-CD1 3.99Å; R160-L164 HydrophobicContact CG-CG 4.44Å; R160-L164 WeakPolarHBondContact O-CB 3.33Å; R160-L164 WeakPolarHBondContact O-CG 3.42Å; R160-L164 PolarHBondContact O-N 3.39Å; R160-E231 IonicContact CZ-OE2 2.83Å; R160-E231 IonicContact NH1-OE2 2.98Å; R160-E231 PolarHBondContact NH1-OE2 3.19Å; R160-L238 HydrophobicContact CB-CD2 3.63Å; R160-L238 HydrophobicContact CG-CD2 4.02Å
161	M	97.8	Very high	98.1	Very high	18 Å²	18	61.3 Å²	61.3	9%	0.089	28%	0.284	C	S	.	.	H	α-helix	trans	-61.8	-36.3	175.6	-75.6	177.9	69.6	0	0	112.4	V91 N92 K95 A157 F158 E159 K165	V91-M161 HydrophobicContact CB-CG 4.34Å; V91-M161 HydrophobicContact CG1-CG 3.75Å; N92-M161 HydrophobicContact CB-CE 3.77Å; N92-M161 HydrophobicContact CB-SD 4.05Å; N92-M161 VanDerWaalsContact OD1-CE 3.32Å; N92-M161 WeakPolarHBondContact OD1-CE 3.21Å; K95-M161 HydrophobicContact CD-SD 4.19Å; A157-M161 WeakPolarHBondContact O-CB 3.16Å; A157-M161 VanDerWaalsContact O-CG 3.25Å; A157-M161 WeakPolarHBondContact O-CG 3.33Å; A157-M161 PolarHBondContact O-N 3.41Å; F158-M161 WeakPolarHBondContact O-CB 3.37Å; F158-M161 PolarHBondContact O-N 2.97Å; E159-M161 VanDerWaalsContact C-N 3.3Å; E159-M161 PolarHBondContact O-N 3.43Å; M161-K165 WeakPolarHBondContact O-CB 3.38Å; M161-K165 VanDerWaalsContact O-CG 3.24Å; M161-K165 WeakPolarHBondContact O-CG 3.14Å; M161-K165 PolarHBondContact O-N 3.09Å
162	I	98.2	Very high	98.1	Very high	73 Å²	73	60.2 Å²	60.2	37%	0.374	28%	0.28	S	S	.	.	H	α-helix	trans	-63.4	-51.1	174.8	-66.2	169.8	0	0	0	109.8	F158 E159 R160 L164 K165 E166	F158-I162 HydrophobicContact CD1-CD1 4.01Å; F158-I162 HydrophobicContact CE1-CD1 3.54Å; F158-I162 HydrophobicContact CE1-CG1 4.47Å; F158-I162 HydrophobicContact CZ-CD1 4.03Å; F158-I162 PolarHBondContact O-N 2.86Å; E159-I162 WeakPolarHBondContact O-CB 3.25Å; E159-I162 PolarHBondContact O-N 3.28Å; E159-I162 VanDerWaalsContact O-N 3.12Å; R160-I162 VanDerWaalsContact C-N 3.29Å; R160-I162 PolarHBondContact O-N 3.39Å; I162-L164 VanDerWaalsContact C-N 3.34Å; I162-L164 PolarHBondContact O-N 3.12Å; I162-K165 WeakPolarHBondContact O-CB 3.45Å; I162-K165 PolarHBondContact O-N 3.47Å; I162-K165 VanDerWaalsContact O-N 3.11Å; I162-E166 WeakPolarHBondContact O-CG 3.38Å; I162-E166 PolarHBondContact O-N 3.28Å
163	L	98.4	Very high	98.1	Very high	61 Å²	61	58.8 Å²	58.8	32%	0.319	28%	0.276	S	S	.	.	H	α-helix	trans	-61.2	-40.7	-178.7	-65.3	174.6	0	0	0	112.8	E159 R160 E166 A167 E231	E159-L163 PolarHBondContact O-N 3.03Å; E159-L163 VanDerWaalsContact O-N 3.16Å; R160-L163 PolarHBondContact O-N 3.4Å; L163-E166 PolarHBondContact O-N 3.05Å; L163-A167 PolarHBondContact O-N 2.93Å; L163-E231 WeakPolarHBondContact CB-OE2 3.13Å
164	L	98.4	Very high	98.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.9	-42.6	174.3	-76.2	164.4	0	0	0	111.8	L84 E87 I88 V91 R160 I162 E166 A167 R168 E231 I232	L84-L164 HydrophobicContact CD2-CD2 3.76Å; E87-L164 HydrophobicContact CB-CD2 4.35Å; E87-L164 HydrophobicContact CG-CD1 3.81Å; E87-L164 HydrophobicContact CG-CD2 3.77Å; E87-L164 HydrophobicContact CG-CG 4.49Å; I88-L164 HydrophobicContact CD1-CB 4.14Å; I88-L164 HydrophobicContact CG1-CB 3.55Å; I88-L164 HydrophobicContact CG1-CD1 4.24Å; I88-L164 HydrophobicContact CG1-CG 4.43Å; V91-L164 HydrophobicContact CB-CD1 4.49Å; V91-L164 HydrophobicContact CG2-CD1 3.98Å; R160-L164 HydrophobicContact CG-CD1 3.99Å; R160-L164 HydrophobicContact CG-CG 4.44Å; R160-L164 WeakPolarHBondContact O-CB 3.33Å; R160-L164 WeakPolarHBondContact O-CG 3.42Å; R160-L164 PolarHBondContact O-N 3.39Å; I162-L164 VanDerWaalsContact C-N 3.34Å; I162-L164 PolarHBondContact O-N 3.12Å; L164-E166 VanDerWaalsContact C-N 3.35Å; L164-A167 PolarHBondContact O-N 3.41Å; L164-R168 WeakPolarHBondContact O-CB 3.28Å; L164-R168 PolarHBondContact O-N 2.86Å; L164-E231 HydrophobicContact CD2-CB 3.77Å; L164-E231 HydrophobicContact CG-CB 4.43Å; L164-I232 HydrophobicContact CD2-CG1 4.49Å
165	K	98.4	Very high	98.1	Very high	115 Å²	115	57.5 Å²	57.5	50%	0.5	27%	0.27	S	S	.	.	H	α-helix	trans	-65.3	-36.9	176.7	-76.2	173.8	179.9	179.7	0	112.3	I88 M161 I162 R168 Q169	I88-K165 HydrophobicContact CD1-CG 3.96Å; M161-K165 WeakPolarHBondContact O-CB 3.38Å; M161-K165 VanDerWaalsContact O-CG 3.24Å; M161-K165 WeakPolarHBondContact O-CG 3.14Å; M161-K165 PolarHBondContact O-N 3.09Å; I162-K165 WeakPolarHBondContact O-CB 3.45Å; I162-K165 PolarHBondContact O-N 3.47Å; I162-K165 VanDerWaalsContact O-N 3.11Å; K165-R168 WeakPolarHBondContact O-CB 3.37Å; K165-R168 PolarHBondContact O-N 3.07Å; K165-Q169 PolarHBondContact O-N 3.31Å
166	E	98.3	Very high	98.1	Very high	91 Å²	91	59.7 Å²	59.7	43%	0.425	28%	0.278	S	S	.	.	H	α-helix	trans	-64.6	-47.9	173.5	-71.5	-179.4	-178.2	0	0	111.9	I162 L163 L164 R168 Q169 Q170 R227	I162-E166 WeakPolarHBondContact O-CG 3.38Å; I162-E166 PolarHBondContact O-N 3.28Å; L163-E166 PolarHBondContact O-N 3.05Å; L164-E166 VanDerWaalsContact C-N 3.35Å; E166-R168 VanDerWaalsContact C-N 3.26Å; E166-R168 PolarHBondContact O-N 3.1Å; E166-Q169 PolarHBondContact O-N 3.37Å; E166-Q170 WeakPolarHBondContact O-CG 3.34Å; E166-Q170 PolarHBondContact O-N 2.93Å; E166-R227 IonicContact OE2-NH2 2.71Å; E166-R227 PolarHBondContact OE2-NH2 2.95Å
167	A	98.3	Very high	98	Very high	1 Å²	1	61 Å²	61	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-59.6	-41.3	176.5	0	0	0	0	0	111	L84 L163 L164 Q170 V171 R227 E231	L84-A167 HydrophobicContact CD1-CB 4.38Å; L84-A167 HydrophobicContact CD2-CB 4.22Å; L163-A167 PolarHBondContact O-N 2.93Å; L164-A167 PolarHBondContact O-N 3.41Å; A167-Q170 PolarHBondContact O-N 2.99Å; A167-V171 WeakPolarHBondContact O-CG2 3.4Å; A167-V171 PolarHBondContact O-N 3.08Å; A167-R227 HydrophobicContact CB-CG 4.46Å; A167-E231 HydrophobicContact CB-CB 4.49Å; A167-E231 HydrophobicContact CB-CG 4.13Å
168	R	98.5	Very high	97.9	Very high	73 Å²	73	61.3 Å²	61.3	28%	0.275	29%	0.289	S	S	.	.	H	α-helix	trans	-59.2	-48.3	174	-176.9	-170.6	-179.6	-98.9	4.2	112.1	L84 D85 I88 L164 K165 E166 Q170 V171 L172	L84-R168 HydrophobicContact CB-CB 4.29Å; L84-R168 HydrophobicContact CD1-CB 4.13Å; D85-R168 IonicContact OD1-CZ 3.76Å; D85-R168 VanDerWaalsContact OD1-CZ 3.26Å; D85-R168 IonicContact OD1-NE 2.72Å; D85-R168 PolarHBondContact OD1-NE 3.47Å; D85-R168 IonicContact OD1-NH2 3.78Å; D85-R168 PolarHBondContact OD1-NH2 3.31Å; D85-R168 VanDerWaalsContact OD1-NH2 3.08Å; D85-R168 IonicContact OD2-NE 2.96Å; D85-R168 IonicContact OD2-NH2 3.09Å; I88-R168 HydrophobicContact CD1-CB 4.33Å; L164-R168 WeakPolarHBondContact O-CB 3.28Å; L164-R168 PolarHBondContact O-N 2.86Å; K165-R168 WeakPolarHBondContact O-CB 3.37Å; K165-R168 PolarHBondContact O-N 3.07Å; E166-R168 VanDerWaalsContact C-N 3.26Å; E166-R168 PolarHBondContact O-N 3.1Å; R168-Q170 VanDerWaalsContact C-N 3.29Å; R168-Q170 PolarHBondContact O-N 3.26Å; R168-V171 PolarHBondContact O-N 3.34Å; R168-L172 WeakPolarHBondContact O-CB 3.4Å; R168-L172 PolarHBondContact O-N 2.92Å
169	Q	98.4	Very high	97.9	Very high	95 Å²	95	58.8 Å²	58.8	44%	0.444	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-38.4	179.2	-174.9	59.2	37.2	0	0	112	K165 E166 L172 L173	K165-Q169 PolarHBondContact O-N 3.31Å; E166-Q169 PolarHBondContact O-N 3.37Å; Q169-L172 PolarHBondContact O-N 3.48Å; Q169-L173 HydrophobicContact CG-CD1 4.48Å; Q169-L173 WeakPolarHBondContact O-CG 3.46Å; Q169-L173 PolarHBondContact O-N 2.86Å
170	Q	97.8	Very high	97.9	Very high	68 Å²	68	55.1 Å²	55.1	32%	0.318	27%	0.269	S	S	.	.	H	α-helix	trans	-64.7	-44.8	176.3	-71.6	-172.5	-22.7	0	0	112.5	E166 A167 R168 L172 L173 D174 R227	E166-Q170 WeakPolarHBondContact O-CG 3.34Å; E166-Q170 PolarHBondContact O-N 2.93Å; A167-Q170 PolarHBondContact O-N 2.99Å; R168-Q170 VanDerWaalsContact C-N 3.29Å; R168-Q170 PolarHBondContact O-N 3.26Å; Q170-L172 VanDerWaalsContact C-N 3.28Å; Q170-L172 PolarHBondContact O-N 2.69Å; Q170-L173 PolarHBondContact O-N 2.83Å; Q170-D174 PolarHBondContact O-N 3.34Å; Q170-R227 VanDerWaalsContact OE1-CD 3.3Å
171	V	98.3	Very high	97.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.8	-39.9	174.4	168.1	0	0	0	0	111	L77 H81 L84 A167 R168 D174 L175 N224 A228	L77-V171 HydrophobicContact CB-CG1 4.29Å; L77-V171 HydrophobicContact CD2-CG1 4.24Å; L77-V171 WeakPolarHBondContact O-CG1 3.5Å; H81-V171 HydrophobicContact CB-CG1 3.9Å; L84-V171 HydrophobicContact CD1-CG2 4.12Å; A167-V171 WeakPolarHBondContact O-CG2 3.4Å; A167-V171 PolarHBondContact O-N 3.08Å; R168-V171 PolarHBondContact O-N 3.34Å; V171-D174 PolarHBondContact O-N 3.41Å; V171-L175 HydrophobicContact CG1-CD1 4.01Å; V171-L175 HydrophobicContact CG1-CG 4.47Å; V171-L175 WeakPolarHBondContact O-CB 3.48Å; V171-L175 WeakPolarHBondContact O-CG 3.34Å; V171-L175 PolarHBondContact O-N 3.39Å; V171-N224 HydrophobicContact CG2-CB 4.47Å; V171-A228 HydrophobicContact CG2-CB 4.17Å
172	L	98	Very high	97.8	Very high	57 Å²	57	54.2 Å²	54.2	30%	0.298	27%	0.274	S	S	.	.	H	α-helix	trans	-66.2	-41.2	-179.6	-134.6	157.4	0	0	0	112.3	H81 R168 Q169 Q170 L175 Q176	H81-L172 WeakPolarHBondContact NE2-CD1 3.5Å; R168-L172 WeakPolarHBondContact O-CB 3.4Å; R168-L172 PolarHBondContact O-N 2.92Å; Q169-L172 PolarHBondContact O-N 3.48Å; Q170-L172 VanDerWaalsContact C-N 3.28Å; Q170-L172 PolarHBondContact O-N 2.69Å; L172-L175 PolarHBondContact O-N 3.46Å; L172-Q176 PolarHBondContact O-N 3.35Å
173	L	98.2	Very high	97.7	Very high	83 Å²	83	55 Å²	55	44%	0.435	28%	0.278	S	S	.	.	H	α-helix	trans	-63.9	-45.4	174.1	-70.7	171.2	0	0	0	111.4	Q169 Q170 L175 Q176 D177	Q169-L173 HydrophobicContact CG-CD1 4.48Å; Q169-L173 WeakPolarHBondContact O-CG 3.46Å; Q169-L173 PolarHBondContact O-N 2.86Å; Q170-L173 PolarHBondContact O-N 2.83Å; L173-L175 VanDerWaalsContact C-N 3.33Å; L173-L175 PolarHBondContact O-N 2.96Å; L173-Q176 WeakPolarHBondContact O-CB 3.36Å; L173-Q176 PolarHBondContact O-N 3.07Å; L173-D177 PolarHBondContact O-N 3.27Å
174	D	97.9	Very high	97.6	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.011	29%	0.286	C	S	.	.	H	α-helix	trans	-61.6	-43	176.9	-166.1	4.2	0	0	0	111.1	L77 Q170 V171 Q176 D177 K178 F220 T221 N224	L77-D174 HydrophobicContact CD1-CB 3.92Å; L77-D174 WeakPolarHBondContact CD1-OD2 3.38Å; Q170-D174 PolarHBondContact O-N 3.34Å; V171-D174 PolarHBondContact O-N 3.41Å; D174-Q176 VanDerWaalsContact C-N 3.35Å; D174-Q176 PolarHBondContact O-N 2.92Å; D174-D177 PolarHBondContact O-N 3.33Å; D174-K178 VanDerWaalsContact O-CG 3.22Å; D174-K178 WeakPolarHBondContact O-CG 3.47Å; D174-K178 PolarHBondContact O-N 3.43Å; D174-K178 IonicContact OD1-NZ 2.71Å; D174-K178 PolarHBondContact OD1-NZ 3.08Å; D174-F220 HydrophobicContact CB-CE1 4.12Å; D174-T221 PolarHBondContact OD1-OG1 3.39Å; D174-T221 VanDerWaalsContact OD2-CA 3.28Å; D174-T221 WeakPolarHBondContact OD2-CA 3.47Å; D174-T221 WeakPolarHBondContact OD2-CB 3.32Å; D174-T221 PolarHBondContact OD2-OG1 3.15Å; D174-N224 PolarHBondContact OD2-ND2 3.03Å
175	L	97.7	Very high	97.5	Very high	14 Å²	14	58.1 Å²	58.1	7%	0.073	30%	0.295	C	S	.	.	H	α-helix	trans	-57.5	-45.4	173.1	-82.1	169.5	0	0	0	112.5	K74 L77 E78 H81 V171 L172 L173 D177 K178 H179	K74-L175 HydrophobicContact CG-CD2 3.79Å; L77-L175 HydrophobicContact CB-CD1 4.26Å; L77-L175 HydrophobicContact CB-CD2 3.45Å; L77-L175 VanDerWaalsContact CB-CD2 3.45Å; L77-L175 HydrophobicContact CB-CG 3.66Å; L77-L175 HydrophobicContact CD1-CD2 4.24Å; L77-L175 HydrophobicContact CD1-CG 4.25Å; E78-L175 HydrophobicContact CG-CD1 4.33Å; E78-L175 HydrophobicContact CG-CD2 3.68Å; H81-L175 HydrophobicContact CB-CD1 4.09Å; V171-L175 HydrophobicContact CG1-CD1 4.01Å; V171-L175 HydrophobicContact CG1-CG 4.47Å; V171-L175 WeakPolarHBondContact O-CB 3.48Å; V171-L175 WeakPolarHBondContact O-CG 3.34Å; V171-L175 PolarHBondContact O-N 3.39Å; L172-L175 PolarHBondContact O-N 3.46Å; L173-L175 VanDerWaalsContact C-N 3.33Å; L173-L175 PolarHBondContact O-N 2.96Å; L175-D177 VanDerWaalsContact C-N 3.33Å; L175-D177 PolarHBondContact O-N 2.88Å; L175-K178 PolarHBondContact O-N 3.09Å; L175-H179 PolarHBondContact O-N 3.17Å; L175-H179 PolarHBondContact O-ND1 3.02Å
176	Q	98	Very high	97.5	Very high	124 Å²	124	54.7 Å²	54.7	58%	0.579	28%	0.282	S	S	*	.	H	α-helix	trans	-61.2	-44	179.6	-175.8	177.8	-2.1	0	0	111.3	L172 L173 D174 H179 A180	L172-Q176 PolarHBondContact O-N 3.35Å; L173-Q176 WeakPolarHBondContact O-CB 3.36Å; L173-Q176 PolarHBondContact O-N 3.07Å; D174-Q176 VanDerWaalsContact C-N 3.35Å; D174-Q176 PolarHBondContact O-N 2.92Å; Q176-H179 PolarHBondContact O-N 2.92Å; Q176-A180 PolarHBondContact O-N 3.5Å
177	D	97	Very high	97.3	Very high	103 Å²	103	56.4 Å²	56.4	55%	0.551	29%	0.29	S	S	*	.	H	α-helix	trans	-64.5	-40	177.2	-72.7	-18.5	0	0	0	111.6	L173 D174 L175 A180 A181	L173-D177 PolarHBondContact O-N 3.27Å; D174-D177 PolarHBondContact O-N 3.33Å; L175-D177 VanDerWaalsContact C-N 3.33Å; L175-D177 PolarHBondContact O-N 2.88Å; D177-A180 PolarHBondContact O-N 3.46Å; D177-A181 VanDerWaalsContact O-CB 3.31Å; D177-A181 WeakPolarHBondContact O-CB 3.43Å; D177-A181 PolarHBondContact O-N 3.22Å
178	K	96.3	Very high	97.1	Very high	6 Å²	6	60.3 Å²	60.3	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-64.1	-41	175.2	-66	-69.4	-173.6	-69.6	0	112.1	I70 K74 L77 D174 L175 A181 M182 W217 T221	I70-K178 HydrophobicContact CG2-CB 4.17Å; I70-K178 HydrophobicContact CG2-CD 4.15Å; I70-K178 WeakPolarHBondContact CG2-O 3.39Å; K74-K178 HydrophobicContact CG-CB 4.43Å; L77-K178 HydrophobicContact CD1-CG 4.34Å; D174-K178 VanDerWaalsContact O-CG 3.22Å; D174-K178 WeakPolarHBondContact O-CG 3.47Å; D174-K178 PolarHBondContact O-N 3.43Å; D174-K178 IonicContact OD1-NZ 2.71Å; D174-K178 PolarHBondContact OD1-NZ 3.08Å; L175-K178 PolarHBondContact O-N 3.09Å; K178-A181 PolarHBondContact O-N 3.46Å; K178-M182 VanDerWaalsContact O-CB 3.28Å; K178-M182 WeakPolarHBondContact O-CB 3.32Å; K178-M182 PolarHBondContact O-N 2.93Å; K178-W217 HydrophobicContact CD-CZ2 3.87Å; K178-W217 VanDerWaalsContact CE-CE2 3.46Å; K178-T221 VanDerWaalsContact CE-OG1 3.28Å; K178-T221 WeakPolarHBondContact CE-OG1 3.49Å; K178-T221 PolarHBondContact NZ-OG1 2.97Å
179	H	97	Very high	96.9	Very high	64 Å²	64	61.1 Å²	61.1	30%	0.296	31%	0.311	S	S	.	.	H	α-helix	trans	-60.7	-51.3	175.2	-80.2	87.3	0	0	0	111.3	K74 E78 L175 Q176 A181 M182 D183	K74-H179 WeakPolarHBondContact CE-NE2 3.15Å; K74-H179 PolarHBondContact NZ-NE2 2.93Å; E78-H179 IonicContact OE1-CE1 3.26Å; E78-H179 IonicContact OE1-NE2 3.47Å; L175-H179 PolarHBondContact O-N 3.17Å; L175-H179 PolarHBondContact O-ND1 3.02Å; Q176-H179 PolarHBondContact O-N 2.92Å; H179-A181 VanDerWaalsContact C-N 3.33Å; H179-A181 PolarHBondContact O-N 3.16Å; H179-M182 PolarHBondContact O-N 3.43Å; H179-D183 PolarHBondContact O-N 3.37Å
180	A	97.4	Very high	96.7	Very high	49 Å²	49	63 Å²	63	41%	0.405	32%	0.318	S	S	.	.	H	α-helix	trans	-61.1	-41.9	179.7	0	0	0	0	0	112.1	Q176 D177 I184	Q176-A180 PolarHBondContact O-N 3.5Å; D177-A180 PolarHBondContact O-N 3.46Å; A180-I184 WeakPolarHBondContact O-CD1 3.08Å; A180-I184 VanDerWaalsContact O-CG1 3.3Å; A180-I184 WeakPolarHBondContact O-CG1 3.42Å; A180-I184 PolarHBondContact O-N 2.86Å; A180-I184 VanDerWaalsContact O-N 3.15Å
181	A	96.2	Very high	96.5	Very high	35 Å²	35	63.3 Å²	63.3	29%	0.289	32%	0.321	S	S	.	.	H	α-helix	trans	-63.3	-44.5	176.3	0	0	0	0	0	112.1	I70 D177 K178 H179 I184 D185	I70-A181 HydrophobicContact CD1-CB 4.21Å; D177-A181 VanDerWaalsContact O-CB 3.31Å; D177-A181 WeakPolarHBondContact O-CB 3.43Å; D177-A181 PolarHBondContact O-N 3.22Å; K178-A181 PolarHBondContact O-N 3.46Å; H179-A181 VanDerWaalsContact C-N 3.33Å; H179-A181 PolarHBondContact O-N 3.16Å; A181-I184 PolarHBondContact O-N 2.77Å; A181-D185 PolarHBondContact O-N 3.31Å
182	M	96.5	Very high	96.1	Very high	24 Å²	24	69.1 Å²	69.1	12%	0.118	34%	0.343	C	S	.	.	H	α-helix	trans	-63.3	-42.9	178.6	-165.5	177	64.2	0	0	111.8	I67 I70 K71 K74 K178 H179 I184 D185 I186	I67-M182 HydrophobicContact CG2-CG 4.22Å; I70-M182 HydrophobicContact CG2-CB 3.81Å; I70-M182 HydrophobicContact CG2-CG 4.28Å; K71-M182 HydrophobicContact CB-SD 4.32Å; K74-M182 HydrophobicContact CD-CE 4.35Å; K178-M182 VanDerWaalsContact O-CB 3.28Å; K178-M182 WeakPolarHBondContact O-CB 3.32Å; K178-M182 PolarHBondContact O-N 2.93Å; H179-M182 PolarHBondContact O-N 3.43Å; M182-I184 PolarHBondContact O-N 3.44Å; M182-D185 PolarHBondContact O-N 3.44Å; M182-I186 HydrophobicContact CE-CD1 4.49Å; M182-I186 HydrophobicContact CG-CD1 3.81Å; M182-I186 HydrophobicContact CG-CG1 4.36Å; M182-I186 WeakPolarHBondContact O-CB 3.42Å; M182-I186 WeakPolarHBondContact O-CG1 3.47Å; M182-I186 PolarHBondContact O-N 3.47Å
183	D	97.2	Very high	95.7	Very high	89 Å²	89	70.6 Å²	70.6	48%	0.476	36%	0.356	S	S	.	.	H	α-helix	trans	-61.1	-45.5	178.2	-73.5	-21.6	0	0	0	111.2	H179 D185 I186 E187	H179-D183 PolarHBondContact O-N 3.37Å; D183-D185 PolarHBondContact O-N 2.88Å; D183-I186 PolarHBondContact O-N 3.06Å; D183-E187 WeakPolarHBondContact O-CG 3.46Å; D183-E187 PolarHBondContact O-N 3.48Å
184	I	96.7	Very high	95.3	Very high	94 Å²	94	74.2 Å²	74.2	48%	0.482	38%	0.376	S	S	.	.	H	α-helix	trans	-58.9	-49.3	175.6	-69.2	166.2	0	0	0	110.7	A180 A181 M182 I186 E187 Q188	A180-I184 WeakPolarHBondContact O-CD1 3.08Å; A180-I184 VanDerWaalsContact O-CG1 3.3Å; A180-I184 WeakPolarHBondContact O-CG1 3.42Å; A180-I184 PolarHBondContact O-N 2.86Å; A180-I184 VanDerWaalsContact O-N 3.15Å; A181-I184 PolarHBondContact O-N 2.77Å; M182-I184 PolarHBondContact O-N 3.44Å; I184-I186 PolarHBondContact O-N 2.81Å; I184-E187 WeakPolarHBondContact O-CB 3.35Å; I184-E187 PolarHBondContact O-N 2.85Å; I184-Q188 HydrophobicContact CG2-CG 4.38Å; I184-Q188 VanDerWaalsContact O-CG 3.27Å; I184-Q188 WeakPolarHBondContact O-CG 3.3Å; I184-Q188 PolarHBondContact O-N 3.46Å; I184-Q188 PolarHBondContact O-NE2 3.4Å
185	D	96.6	Very high	95	Very high	33 Å²	33	76.1 Å²	76.1	18%	0.176	39%	0.389	C	S	.	.	H	α-helix	trans	-66.8	-37.5	-177.2	-75.5	-10.8	0	0	0	111.7	R66 I67 I70 A181 M182 D183 Q188 Y189	R66-D185 WeakPolarHBondContact CG-OD2 3.38Å; I67-D185 HydrophobicContact CD1-CB 4.38Å; I67-D185 HydrophobicContact CG1-CB 3.76Å; I70-D185 WeakPolarHBondContact CD1-OD2 3.34Å; A181-D185 PolarHBondContact O-N 3.31Å; M182-D185 PolarHBondContact O-N 3.44Å; D183-D185 PolarHBondContact O-N 2.88Å; D185-Q188 PolarHBondContact O-N 3.03Å; D185-Y189 WeakPolarHBondContact O-CB 3.4Å; D185-Y189 PolarHBondContact O-N 3.22Å
186	I	96.8	Very high	94.5	Very high	44 Å²	44	81.7 Å²	81.7	23%	0.226	43%	0.426	C	S	.	.	H	α-helix	trans	-61.6	-44	173	-74.2	169.1	0	0	0	110.8	I67 M182 D183 I184 Y189 K190	I67-I186 HydrophobicContact CD1-CB 4.49Å; I67-I186 HydrophobicContact CD1-CG1 3.87Å; I67-I186 HydrophobicContact CG1-CG1 4.15Å; I67-I186 HydrophobicContact CG2-CD1 4.44Å; I67-I186 HydrophobicContact CG2-CG1 4.03Å; M182-I186 HydrophobicContact CE-CD1 4.49Å; M182-I186 HydrophobicContact CG-CD1 3.81Å; M182-I186 HydrophobicContact CG-CG1 4.36Å; M182-I186 WeakPolarHBondContact O-CB 3.42Å; M182-I186 WeakPolarHBondContact O-CG1 3.47Å; M182-I186 PolarHBondContact O-N 3.47Å; D183-I186 PolarHBondContact O-N 3.06Å; I184-I186 PolarHBondContact O-N 2.81Å; I186-Y189 PolarHBondContact O-N 2.97Å; I186-K190 HydrophobicContact CG2-CD 4.07Å; I186-K190 VanDerWaalsContact CG2-NZ 3.33Å; I186-K190 VanDerWaalsContact O-CG 3.29Å; I186-K190 WeakPolarHBondContact O-CG 3.37Å; I186-K190 PolarHBondContact O-N 2.93Å; I186-K190 VanDerWaalsContact O-N 3.16Å
187	E	95.1	Very high	93.8	Very high	127 Å²	127	79 Å²	79	59%	0.593	43%	0.431	S	S	*	.	H	α-helix	trans	-61.3	-45	175.1	-74.2	-178.2	179.1	0	0	111.1	D183 I184 Y189 K190 L191	D183-E187 WeakPolarHBondContact O-CG 3.46Å; D183-E187 PolarHBondContact O-N 3.48Å; I184-E187 WeakPolarHBondContact O-CB 3.35Å; I184-E187 PolarHBondContact O-N 2.85Å; E187-Y189 PolarHBondContact O-N 2.99Å; E187-K190 PolarHBondContact O-N 3.37Å; E187-L191 PolarHBondContact O-N 3.34Å
188	Q	93.9	Very high	93.6	Very high	83 Å²	83	77.8 Å²	77.8	39%	0.388	43%	0.428	S	S	.	.	H	α-helix	trans	-65.2	-40.3	179.5	-60.8	-28.4	-75.7	0	0	112	L63 I184 D185 K190 L191	L63-Q188 HydrophobicContact CD1-CB 4.25Å; I184-Q188 HydrophobicContact CG2-CG 4.38Å; I184-Q188 VanDerWaalsContact O-CG 3.27Å; I184-Q188 WeakPolarHBondContact O-CG 3.3Å; I184-Q188 PolarHBondContact O-N 3.46Å; I184-Q188 PolarHBondContact O-NE2 3.4Å; D185-Q188 PolarHBondContact O-N 3.03Å; Q188-K190 PolarHBondContact O-N 3.47Å; Q188-L191 PolarHBondContact O-N 2.93Å
189	Y	94.8	Very high	93.4	Very high	89 Å²	89	81.1 Å²	81.1	35%	0.349	45%	0.452	S	S	.	.	H	α-helix	trans	-60.8	-33.3	175.6	172.6	-101.6	0	0	0	112.5	T60 L63 A64 I67 D185 I186 E187 R192	T60-Y189 HydrophobicContact CG2-CD2 3.77Å; T60-Y189 HydrophobicContact CG2-CE2 3.51Å; L63-Y189 HydrophobicContact CB-CD2 4.31Å; A64-Y189 HydrophobicContact CB-CD2 4.23Å; A64-Y189 HydrophobicContact CB-CE2 3.88Å; I67-Y189 HydrophobicContact CD1-CG 4.22Å; D185-Y189 WeakPolarHBondContact O-CB 3.4Å; D185-Y189 PolarHBondContact O-N 3.22Å; I186-Y189 PolarHBondContact O-N 2.97Å; E187-Y189 PolarHBondContact O-N 2.99Å; Y189-R192 PolarHBondContact O-NH1 3.38Å
190	K	93.6	Very high	93.2	Very high	136 Å²	136	88.3 Å²	88.3	59%	0.591	48%	0.482	S	S	*	.	H	α-helix	trans	-80.1	-18.7	179.5	-72.5	169.9	-178.8	170.1	0	113.8	I186 E187 Q188 R192	I186-K190 HydrophobicContact CG2-CD 4.07Å; I186-K190 VanDerWaalsContact CG2-NZ 3.33Å; I186-K190 VanDerWaalsContact O-CG 3.29Å; I186-K190 WeakPolarHBondContact O-CG 3.37Å; I186-K190 PolarHBondContact O-N 2.93Å; I186-K190 VanDerWaalsContact O-N 3.16Å; E187-K190 PolarHBondContact O-N 3.37Å; Q188-K190 PolarHBondContact O-N 3.47Å; K190-R192 PolarHBondContact O-NH1 3.3Å
191	L	93	Very high	93.1	Very high	74 Å²	74	91.4 Å²	91.4	39%	0.387	49%	0.487	S	S	.	.			trans	-61.9	141.9	-179.7	-74	175.1	0	0	0	111.8	E187 Q188 C195 V198	E187-L191 PolarHBondContact O-N 3.34Å; Q188-L191 PolarHBondContact O-N 2.93Å; L191-C195 HydrophobicContact CD2-CB 4.08Å; L191-V198 HydrophobicContact CD2-CG2 4.4Å
192	R	90.7	Very high	92.9	Very high	121 Å²	121	96.4 Å²	96.4	46%	0.457	52%	0.517	S	S	.	.			trans	-129	157.7	173.5	-59.1	-65.7	178.5	-93.3	2.2	108.9	Y189 K190 N194 C195	Y189-R192 PolarHBondContact O-NH1 3.38Å; K190-R192 PolarHBondContact O-NH1 3.3Å; R192-N194 PolarHBondContact O-N 2.94Å; R192-C195 PolarHBondContact N-SG 3.14Å; R192-C195 VanDerWaalsContact O-CB 3.28Å; R192-C195 WeakPolarHBondContact O-CB 3.49Å; R192-C195 PolarHBondContact O-N 3.48Å; R192-C195 PolarHBondContact O-SG 3.18Å
193	P	89.6	Confident	92.7	Very high	88 Å²	88	99.1 Å²	99.1	57%	0.571	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-29	-176.3	-29.3	35.9	0	0	0	115.2
194	N	89.7	Confident	92.5	Very high	159 Å²	159	99.4 Å²	99.4	85%	0.85	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	2.8	-178.3	-59	-17.1	0	0	0	113.5	R192	R192-N194 PolarHBondContact O-N 2.94Å
195	C	91.5	Very high	92.3	Very high	42 Å²	42	100.8 Å²	100.8	28%	0.284	55%	0.551	S	S	.	*	S	Bend	trans	-69.9	139.8	179.5	-72.1	0	0	0	0	111.3	L191 R192 G197 V198	L191-C195 HydrophobicContact CD2-CB 4.08Å; R192-C195 PolarHBondContact N-SG 3.14Å; R192-C195 VanDerWaalsContact O-CB 3.28Å; R192-C195 WeakPolarHBondContact O-CB 3.49Å; R192-C195 PolarHBondContact O-N 3.48Å; R192-C195 PolarHBondContact O-SG 3.18Å; C195-G197 PolarHBondContact O-N 2.69Å; C195-V198 HydrophobicContact CB-CG2 4.06Å; C195-V198 WeakPolarHBondContact O-CG2 3.35Å; C195-V198 PolarHBondContact O-N 3.49Å
196	P	86.4	Confident	92.2	Very high	132 Å²	132	106.9 Å²	106.9	86%	0.857	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	136.8	170.2	-21.6	32.2	0	0	0	111.2
197	G	83.7	Confident	92	Very high	66 Å²	66	111.3 Å²	111.3	68%	0.68	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	94.3	-11	179.3	0	0	0	0	0	115.6	C195 S199	C195-G197 PolarHBondContact O-N 2.69Å; G197-S199 PolarHBondContact O-N 2.96Å
198	V	92.6	Very high	91.9	Very high	79 Å²	79	109.1 Å²	109.1	48%	0.479	59%	0.591	S	S	.	*			trans	-68.8	116.2	168.3	-179.6	0	0	0	0	108.7	L191 C195	L191-V198 HydrophobicContact CD2-CG2 4.4Å; C195-V198 HydrophobicContact CB-CG2 4.06Å; C195-V198 WeakPolarHBondContact O-CG2 3.35Å; C195-V198 PolarHBondContact O-N 3.49Å
199	S	93	Very high	91.8	Very high	76 Å²	76	115.5 Å²	115.5	53%	0.531	62%	0.617	S	S	.	*			trans	-155.6	159.1	-176	65.2	0	0	0	0	112	G197 K201	G197-S199 PolarHBondContact O-N 2.96Å; S199-K201 WeakPolarHBondContact O-CE 3.31Å; S199-K201 PolarHBondContact O-N 3.39Å; S199-K201 PolarHBondContact OG-NZ 3.29Å
200	F	93.2	Very high	91.7	Very high	214 Å²	214	115 Å²	115	94%	0.939	64%	0.639	S	S	*	*			trans	-59.9	134.7	173	-70.8	-72.8	0	0	0	110.9
201	K	93.5	Very high	91.7	Very high	114 Å²	114	112.4 Å²	112.4	50%	0.496	64%	0.635	S	S	.	*			trans	-103.8	144.3	177.9	-52.4	-53.3	178.8	-166.7	0	109.9	S199 N203 P204	S199-K201 WeakPolarHBondContact O-CE 3.31Å; S199-K201 PolarHBondContact O-N 3.39Å; S199-K201 PolarHBondContact OG-NZ 3.29Å; K201-N203 PolarHBondContact O-N 3.47Å; K201-P204 HydrophobicContact CB-CB 4.34Å; K201-P204 WeakPolarHBondContact O-CD 3.29Å
202	P	92.7	Very high	91.7	Very high	141 Å²	141	113.7 Å²	113.7	92%	0.916	65%	0.646	S	S	*	*	S	Bend	trans	-61.8	-36	-175.5	-26.3	34.5	0	0	0	115
203	N	92.8	Very high	91.9	Very high	81 Å²	81	110.9 Å²	110.9	43%	0.433	64%	0.642	S	S	.	*	S	Bend	trans	-145.3	78.8	178.3	-171.5	-0.5	0	0	0	109.7	K201 T205 R206	K201-N203 PolarHBondContact O-N 3.47Å; N203-T205 VanDerWaalsContact C-N 3.33Å; N203-R206 WeakPolarHBondContact O-CG 3.43Å; N203-R206 PolarHBondContact O-NH1 3.15Å; N203-R206 PolarHBondContact OD1-N 3.08Å
204	P	92.1	Very high	92.1	Very high	95 Å²	95	110.2 Å²	110.2	62%	0.617	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-21.8	-173	29.1	-32.2	0	0	0	113.1	K201	K201-P204 HydrophobicContact CB-CB 4.34Å; K201-P204 WeakPolarHBondContact O-CD 3.29Å
205	T	93.8	Very high	92.3	Very high	123 Å²	123	108.2 Å²	108.2	76%	0.755	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	10.1	-178.4	53.7	0	0	0	0	113.3	N203	N203-T205 VanDerWaalsContact C-N 3.33Å
206	R	94.4	Very high	92.5	Very high	160 Å²	160	110.9 Å²	110.9	60%	0.604	63%	0.632	S	S	*	*			trans	-65.3	139.9	177	74.8	-174.1	-176.9	-77.9	-2	110.9	N203	N203-R206 WeakPolarHBondContact O-CG 3.43Å; N203-R206 PolarHBondContact O-NH1 3.15Å; N203-R206 PolarHBondContact OD1-N 3.08Å
207	I	91.6	Very high	92.9	Very high	138 Å²	138	106.2 Å²	106.2	71%	0.708	60%	0.597	S	S	*	*			trans	-104.5	115.3	171.2	-59.1	174.7	0	0	0	107.2	T211	I207-T211 HydrophobicContact CG2-CG2 3.99Å; I207-T211 WeakPolarHBondContact CG2-OG1 3.46Å
208	P	92.8	Very high	93.4	Very high	80 Å²	80	107.1 Å²	107.1	52%	0.519	58%	0.584	S	S	.	*			trans	-58	147.6	175.2	-23.7	33.8	0	0	0	112	T211	P208-T211 HydrophobicContact CB-CG2 4.15Å; P208-T211 HydrophobicContact CG-CG2 4.4Å; P208-T211 WeakPolarHBondContact O-CG2 3.45Å; P208-T211 PolarHBondContact O-OG1 3.4Å; P208-T211 VanDerWaalsContact O-OG1 3.08Å
209	K	93.1	Very high	93.5	Very high	217 Å²	217	108.6 Å²	108.6	94%	0.943	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	142.2	171.8	-65.2	-176.1	-179.6	-178.3	0	109.4
210	G	91.2	Very high	93.6	Very high	78 Å²	78	110 Å²	110	80%	0.804	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	78.8	21.1	-178.6	0	0	0	0	0	114.2
211	T	93.9	Very high	93.8	Very high	82 Å²	82	99.9 Å²	99.9	50%	0.503	54%	0.538	S	S	.	.			trans	-66.2	137.5	173.9	33.5	0	0	0	0	111.2	I207 P208	I207-T211 HydrophobicContact CG2-CG2 3.99Å; I207-T211 WeakPolarHBondContact CG2-OG1 3.46Å; P208-T211 HydrophobicContact CB-CG2 4.15Å; P208-T211 HydrophobicContact CG-CG2 4.4Å; P208-T211 WeakPolarHBondContact O-CG2 3.45Å; P208-T211 PolarHBondContact O-OG1 3.4Å; P208-T211 VanDerWaalsContact O-OG1 3.08Å
212	T	94.5	Very high	93.9	Very high	101 Å²	101	100.6 Å²	100.6	62%	0.62	54%	0.537	S	S	*	.			trans	-104.1	150.5	178.8	54	0	0	0	0	110.9
213	T	94.9	Very high	94.1	Very high	62 Å²	62	100 Å²	100	38%	0.38	52%	0.518	S	S	.	.			trans	-76.3	157.1	170.3	61	0	0	0	0	111.1	Q215 Q216 W217	T213-Q215 PolarHBondContact O-N 3.08Å; T213-Q216 PolarHBondContact O-N 3.17Å; T213-Q216 VanDerWaalsContact O-N 3.16Å; T213-Q216 WeakPolarHBondContact OG1-CB 3.45Å; T213-Q216 VanDerWaalsContact OG1-CG 3.22Å; T213-Q216 WeakPolarHBondContact OG1-CG 3.27Å; T213-Q216 PolarHBondContact OG1-N 3.49Å; T213-Q216 PolarHBondContact OG1-OE1 3.02Å; T213-W217 PolarHBondContact O-N 3.37Å
214	P	92.9	Very high	94.3	Very high	74 Å²	74	96.4 Å²	96.4	48%	0.481	50%	0.499	S	S	.	.	H	α-helix	trans	-54.9	-37.4	172.6	-26.9	36	0	0	0	112.9	W217 E218	P214-W217 WeakPolarHBondContact O-CB 3.29Å; P214-W217 PolarHBondContact O-N 3.12Å; P214-E218 PolarHBondContact O-N 3.34Å
215	Q	93.9	Very high	94.6	Very high	117 Å²	117	96.1 Å²	96.1	55%	0.547	49%	0.485	S	S	.	.	H	α-helix	trans	-62	-48.4	176.2	-64.7	82.5	2.6	0	0	111.5	T213 W217 E218 E219	T213-Q215 PolarHBondContact O-N 3.08Å; Q215-W217 VanDerWaalsContact C-N 3.27Å; Q215-W217 PolarHBondContact O-N 3.34Å; Q215-E218 PolarHBondContact O-N 2.9Å; Q215-E219 WeakPolarHBondContact O-CB 3.44Å; Q215-E219 VanDerWaalsContact O-CG 3.27Å; Q215-E219 WeakPolarHBondContact O-CG 3.45Å; Q215-E219 PolarHBondContact O-N 3.48Å
216	Q	95.1	Very high	94.7	Very high	98 Å²	98	95 Å²	95	46%	0.458	47%	0.471	S	S	.	.	H	α-helix	trans	-61.9	-36.1	176.9	-74.2	166.7	-36.2	0	0	112.3	T213 F220	T213-Q216 PolarHBondContact O-N 3.17Å; T213-Q216 VanDerWaalsContact O-N 3.16Å; T213-Q216 WeakPolarHBondContact OG1-CB 3.45Å; T213-Q216 VanDerWaalsContact OG1-CG 3.22Å; T213-Q216 WeakPolarHBondContact OG1-CG 3.27Å; T213-Q216 PolarHBondContact OG1-N 3.49Å; T213-Q216 PolarHBondContact OG1-OE1 3.02Å; Q216-F220 WeakPolarHBondContact O-CB 3.49Å; Q216-F220 PolarHBondContact O-N 2.69Å
217	W	94.5	Very high	94.9	Very high	34 Å²	34	89.6 Å²	89.6	13%	0.129	45%	0.451	C	S	.	.	H	α-helix	trans	-65.9	-44.7	176.3	166.9	83.4	0	0	0	112.2	R66 A69 I70 L73 K178 T213 P214 Q215 F220 T221	R66-W217 VanDerWaalsContact NH1-CE3 3.27Å; R66-W217 VanDerWaalsContact NH2-CD2 3.29Å; R66-W217 VanDerWaalsContact NH2-CE2 3.27Å; A69-W217 HydrophobicContact CB-CH2 4.41Å; I70-W217 HydrophobicContact CB-CZ2 4.46Å; I70-W217 HydrophobicContact CG1-CH2 4.3Å; I70-W217 HydrophobicContact CG1-CZ2 3.81Å; L73-W217 HydrophobicContact CD1-CD2 4.32Å; L73-W217 HydrophobicContact CD1-CE3 4.12Å; L73-W217 HydrophobicContact CD1-CH2 3.28Å; L73-W217 HydrophobicContact CD1-CZ2 3.57Å; L73-W217 HydrophobicContact CD1-CZ3 3.57Å; L73-W217 HydrophobicContact CG-CH2 3.98Å; L73-W217 HydrophobicContact CG-CZ2 4.42Å; L73-W217 HydrophobicContact CG-CZ3 4.5Å; K178-W217 HydrophobicContact CD-CZ2 3.87Å; K178-W217 VanDerWaalsContact CE-CE2 3.46Å; T213-W217 PolarHBondContact O-N 3.37Å; P214-W217 WeakPolarHBondContact O-CB 3.29Å; P214-W217 PolarHBondContact O-N 3.12Å; Q215-W217 VanDerWaalsContact C-N 3.27Å; Q215-W217 PolarHBondContact O-N 3.34Å; W217-F220 PolarHBondContact O-N 2.74Å; W217-T221 PolarHBondContact O-N 3.36Å
218	E	94.6	Very high	95.2	Very high	85 Å²	85	83 Å²	83	40%	0.397	42%	0.418	S	S	.	.	H	α-helix	trans	-65	-42.3	174.3	-72.7	176.8	-161.5	0	0	111.8	L73 P214 Q215 F220 T221 R222	L73-E218 HydrophobicContact CD1-CG 4.44Å; P214-E218 PolarHBondContact O-N 3.34Å; Q215-E218 PolarHBondContact O-N 2.9Å; E218-F220 VanDerWaalsContact C-N 3.33Å; E218-F220 PolarHBondContact O-N 3.42Å; E218-T221 PolarHBondContact O-N 3.32Å; E218-R222 VanDerWaalsContact O-CB 3.25Å; E218-R222 WeakPolarHBondContact O-CB 3.45Å; E218-R222 PolarHBondContact O-N 2.95Å
219	E	95.9	Very high	95.4	Very high	110 Å²	110	80.6 Å²	80.6	51%	0.514	40%	0.399	S	S	.	.	H	α-helix	trans	-62.4	-39.5	178.5	-76.6	171.9	-179.4	0	0	112.1	Q215 R222 Y223	Q215-E219 WeakPolarHBondContact O-CB 3.44Å; Q215-E219 VanDerWaalsContact O-CG 3.27Å; Q215-E219 WeakPolarHBondContact O-CG 3.45Å; Q215-E219 PolarHBondContact O-N 3.48Å; E219-R222 PolarHBondContact O-N 2.71Å; E219-Y223 WeakPolarHBondContact O-CB 3.45Å; E219-Y223 PolarHBondContact O-N 2.98Å
220	F	95.2	Very high	95.7	Very high	107 Å²	107	73.7 Å²	73.7	47%	0.469	38%	0.375	S	S	.	.	H	α-helix	trans	-60.1	-49.9	176.5	-178.9	-100.8	0	0	0	111.6	D174 Q216 W217 E218 Y223 N224	D174-F220 HydrophobicContact CB-CE1 4.12Å; Q216-F220 WeakPolarHBondContact O-CB 3.49Å; Q216-F220 PolarHBondContact O-N 2.69Å; W217-F220 PolarHBondContact O-N 2.74Å; E218-F220 VanDerWaalsContact C-N 3.33Å; E218-F220 PolarHBondContact O-N 3.42Å; F220-Y223 WeakPolarHBondContact O-CB 3.44Å; F220-Y223 PolarHBondContact O-N 3.38Å; F220-N224 WeakPolarHBondContact CE1-ND2 3.26Å; F220-N224 PolarHBondContact O-N 3.38Å; F220-N224 VanDerWaalsContact O-N 3.08Å; F220-N224 PolarHBondContact O-ND2 3.06Å
221	T	96.1	Very high	96	Very high	1 Å²	1	71.2 Å²	71.2	1%	0.006	34%	0.343	C	S	.	.	H	α-helix	trans	-68.2	-37.9	178.2	-66.5	0	0	0	0	112.1	L73 L77 D174 K178 W217 E218 Y223 N224 W225	L73-T221 HydrophobicContact CB-CG2 4.15Å; L73-T221 HydrophobicContact CD1-CG2 4.14Å; L73-T221 HydrophobicContact CD2-CG2 4.29Å; L73-T221 HydrophobicContact CG-CG2 4.44Å; L77-T221 HydrophobicContact CD1-CG2 3.72Å; L77-T221 HydrophobicContact CD2-CG2 3.75Å; L77-T221 HydrophobicContact CG-CG2 3.68Å; D174-T221 PolarHBondContact OD1-OG1 3.39Å; D174-T221 VanDerWaalsContact OD2-CA 3.28Å; D174-T221 WeakPolarHBondContact OD2-CA 3.47Å; D174-T221 WeakPolarHBondContact OD2-CB 3.32Å; D174-T221 PolarHBondContact OD2-OG1 3.15Å; K178-T221 VanDerWaalsContact CE-OG1 3.28Å; K178-T221 WeakPolarHBondContact CE-OG1 3.49Å; K178-T221 PolarHBondContact NZ-OG1 2.97Å; W217-T221 PolarHBondContact O-N 3.36Å; E218-T221 PolarHBondContact O-N 3.32Å; T221-Y223 VanDerWaalsContact C-N 3.32Å; T221-Y223 PolarHBondContact O-N 2.91Å; T221-N224 PolarHBondContact O-N 3.4Å; T221-W225 WeakPolarHBondContact O-CB 3.34Å; T221-W225 PolarHBondContact O-N 3.39Å
222	R	96.4	Very high	96.1	Very high	128 Å²	128	67.8 Å²	67.8	48%	0.483	32%	0.321	S	S	.	.	H	α-helix	trans	-60.1	-42.8	174	-173.3	-175.6	-58.1	163.9	5.8	111.4	E218 E219 W225 Q226	E218-R222 VanDerWaalsContact O-CB 3.25Å; E218-R222 WeakPolarHBondContact O-CB 3.45Å; E218-R222 PolarHBondContact O-N 2.95Å; E219-R222 PolarHBondContact O-N 2.71Å; R222-W225 PolarHBondContact O-N 3.4Å; R222-Q226 HydrophobicContact CG-CG 4.48Å; R222-Q226 WeakPolarHBondContact O-CB 3.47Å; R222-Q226 VanDerWaalsContact O-CG 3.28Å; R222-Q226 WeakPolarHBondContact O-CG 3.26Å; R222-Q226 PolarHBondContact O-N 3.42Å
223	Y	97.2	Very high	96.3	Very high	128 Å²	128	69.1 Å²	69.1	50%	0.502	32%	0.315	S	S	.	.	H	α-helix	trans	-61.4	-48.5	176.3	170	-95	0	0	0	111.5	E219 F220 T221 W225 Q226 R227	E219-Y223 WeakPolarHBondContact O-CB 3.45Å; E219-Y223 PolarHBondContact O-N 2.98Å; F220-Y223 WeakPolarHBondContact O-CB 3.44Å; F220-Y223 PolarHBondContact O-N 3.38Å; T221-Y223 VanDerWaalsContact C-N 3.32Å; T221-Y223 PolarHBondContact O-N 2.91Å; Y223-W225 VanDerWaalsContact C-N 3.31Å; Y223-W225 PolarHBondContact O-N 3.37Å; Y223-Q226 PolarHBondContact O-N 3.02Å; Y223-R227 WeakPolarHBondContact O-CB 3.5Å; Y223-R227 PolarHBondContact O-N 2.7Å
224	N	97	Very high	96.4	Very high	6 Å²	6	67.3 Å²	67.3	3%	0.032	31%	0.305	C	S	.	.	H	α-helix	trans	-59	-44	178.5	-67.7	-25.8	0	0	0	111.5	V171 D174 F220 T221 R227 A228	V171-N224 HydrophobicContact CG2-CB 4.47Å; D174-N224 PolarHBondContact OD2-ND2 3.03Å; F220-N224 WeakPolarHBondContact CE1-ND2 3.26Å; F220-N224 PolarHBondContact O-N 3.38Å; F220-N224 VanDerWaalsContact O-N 3.08Å; F220-N224 PolarHBondContact O-ND2 3.06Å; T221-N224 PolarHBondContact O-N 3.4Å; N224-R227 PolarHBondContact O-N 2.97Å; N224-A228 WeakPolarHBondContact O-CB 3.3Å; N224-A228 PolarHBondContact O-N 3.5Å
225	W	96.9	Very high	96.7	Very high	90 Å²	90	63.8 Å²	63.8	34%	0.341	28%	0.282	S	S	.	.	H	α-helix	trans	-62.9	-46.7	175	179.2	86.7	0	0	0	112	I76 T221 R222 Y223 R227 A228 Q229	I76-W225 HydrophobicContact CG2-CG 3.98Å; T221-W225 WeakPolarHBondContact O-CB 3.34Å; T221-W225 PolarHBondContact O-N 3.39Å; R222-W225 PolarHBondContact O-N 3.4Å; Y223-W225 VanDerWaalsContact C-N 3.31Å; Y223-W225 PolarHBondContact O-N 3.37Å; W225-R227 VanDerWaalsContact C-N 3.35Å; W225-R227 PolarHBondContact O-N 3.27Å; W225-A228 WeakPolarHBondContact O-CB 3.46Å; W225-A228 PolarHBondContact O-N 3.44Å; W225-Q229 HydrophobicContact CD2-CG 3.93Å; W225-Q229 HydrophobicContact CE3-CG 4.31Å; W225-Q229 HydrophobicContact CG-CG 4.49Å; W225-Q229 HydrophobicContact CH2-CG 4.12Å; W225-Q229 HydrophobicContact CZ2-CG 3.71Å; W225-Q229 HydrophobicContact CZ3-CG 4.4Å; W225-Q229 VanDerWaalsContact O-CG 3.3Å; W225-Q229 WeakPolarHBondContact O-CG 3.48Å; W225-Q229 PolarHBondContact O-N 2.91Å
226	Q	97.7	Very high	96.9	Very high	98 Å²	98	62 Å²	62	46%	0.458	27%	0.274	S	S	.	.	H	α-helix	trans	-62.4	-40.6	178.5	-75.9	177.8	-15.5	0	0	112.4	R222 Y223 Q229 T230	R222-Q226 HydrophobicContact CG-CG 4.48Å; R222-Q226 WeakPolarHBondContact O-CB 3.47Å; R222-Q226 VanDerWaalsContact O-CG 3.28Å; R222-Q226 WeakPolarHBondContact O-CG 3.26Å; R222-Q226 PolarHBondContact O-N 3.42Å; Y223-Q226 PolarHBondContact O-N 3.02Å; Q226-Q229 PolarHBondContact O-N 2.97Å; Q226-T230 WeakPolarHBondContact O-CB 3.34Å; Q226-T230 PolarHBondContact O-N 3.5Å; Q226-T230 PolarHBondContact O-OG1 3.18Å
227	R	97.2	Very high	97	Very high	48 Å²	48	65.3 Å²	65.3	18%	0.181	28%	0.282	C	S	.	.	H	α-helix	trans	-61.5	-49.2	174.1	-177	-178.4	172.4	173.4	0.4	110.4	E166 A167 Q170 Y223 N224 W225 Q229 T230 E231	E166-R227 IonicContact OE2-NH2 2.71Å; E166-R227 PolarHBondContact OE2-NH2 2.95Å; A167-R227 HydrophobicContact CB-CG 4.46Å; Q170-R227 VanDerWaalsContact OE1-CD 3.3Å; Y223-R227 WeakPolarHBondContact O-CB 3.5Å; Y223-R227 PolarHBondContact O-N 2.7Å; N224-R227 PolarHBondContact O-N 2.97Å; W225-R227 VanDerWaalsContact C-N 3.35Å; W225-R227 PolarHBondContact O-N 3.27Å; R227-Q229 VanDerWaalsContact C-N 3.35Å; R227-Q229 PolarHBondContact O-N 3.27Å; R227-T230 PolarHBondContact O-N 3.05Å; R227-T230 VanDerWaalsContact O-N 3.12Å; R227-E231 PolarHBondContact O-N 2.89Å
228	A	98.1	Very high	97.2	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-54.4	-50.2	176.6	0	0	0	0	0	111.8	A80 L84 V171 N224 W225 T230 E231 I232	A80-A228 HydrophobicContact CB-CB 4.33Å; L84-A228 HydrophobicContact CD1-CB 3.68Å; L84-A228 HydrophobicContact CD2-CB 4.3Å; L84-A228 HydrophobicContact CG-CB 4.13Å; V171-A228 HydrophobicContact CG2-CB 4.17Å; N224-A228 WeakPolarHBondContact O-CB 3.3Å; N224-A228 PolarHBondContact O-N 3.5Å; W225-A228 WeakPolarHBondContact O-CB 3.46Å; W225-A228 PolarHBondContact O-N 3.44Å; A228-T230 VanDerWaalsContact C-N 3.27Å; A228-T230 PolarHBondContact O-N 2.56Å; A228-E231 PolarHBondContact O-N 2.91Å; A228-I232 WeakPolarHBondContact O-CD1 3.47Å; A228-I232 VanDerWaalsContact O-CG1 3.23Å; A228-I232 WeakPolarHBondContact O-CG1 3.39Å; A228-I232 PolarHBondContact O-N 2.7Å
229	Q	98	Very high	97.3	Very high	28 Å²	28	61 Å²	61	13%	0.131	26%	0.263	C	S	.	.	H	α-helix	trans	-63.4	-32.1	179.2	-66.6	-57.4	-37.5	0	0	113.3	W225 Q226 R227 R233	W225-Q229 HydrophobicContact CD2-CG 3.93Å; W225-Q229 HydrophobicContact CE3-CG 4.31Å; W225-Q229 HydrophobicContact CG-CG 4.49Å; W225-Q229 HydrophobicContact CH2-CG 4.12Å; W225-Q229 HydrophobicContact CZ2-CG 3.71Å; W225-Q229 HydrophobicContact CZ3-CG 4.4Å; W225-Q229 VanDerWaalsContact O-CG 3.3Å; W225-Q229 WeakPolarHBondContact O-CG 3.48Å; W225-Q229 PolarHBondContact O-N 2.91Å; Q226-Q229 PolarHBondContact O-N 2.97Å; R227-Q229 VanDerWaalsContact C-N 3.35Å; R227-Q229 PolarHBondContact O-N 3.27Å; Q229-R233 WeakPolarHBondContact O-CG 3.49Å; Q229-R233 PolarHBondContact O-N 2.84Å; Q229-R233 VanDerWaalsContact O-N 3.15Å; Q229-R233 PolarHBondContact O-NE 3.27Å
230	T	97.8	Very high	97.3	Very high	73 Å²	73	60.7 Å²	60.7	45%	0.448	26%	0.262	S	S	.	.	H	α-helix	trans	-71.9	-44	177.7	-59	0	0	0	0	111.2	Q226 R227 A228 S234	Q226-T230 WeakPolarHBondContact O-CB 3.34Å; Q226-T230 PolarHBondContact O-N 3.5Å; Q226-T230 PolarHBondContact O-OG1 3.18Å; R227-T230 PolarHBondContact O-N 3.05Å; R227-T230 VanDerWaalsContact O-N 3.12Å; A228-T230 VanDerWaalsContact C-N 3.27Å; A228-T230 PolarHBondContact O-N 2.56Å; T230-S234 WeakPolarHBondContact O-CB 3.43Å; T230-S234 PolarHBondContact O-N 2.97Å; T230-S234 PolarHBondContact O-OG 3.32Å
231	E	97.4	Very high	97.4	Very high	26 Å²	26	57.1 Å²	57.1	12%	0.121	25%	0.252	C	S	.	.	H	α-helix	trans	-65.2	-41.5	176.1	-67.2	-53.5	145.6	0	0	111.4	R160 L163 L164 A167 R227 A228 S234 G235	R160-E231 IonicContact CZ-OE2 2.83Å; R160-E231 IonicContact NH1-OE2 2.98Å; R160-E231 PolarHBondContact NH1-OE2 3.19Å; L163-E231 WeakPolarHBondContact CB-OE2 3.13Å; L164-E231 HydrophobicContact CD2-CB 3.77Å; L164-E231 HydrophobicContact CG-CB 4.43Å; A167-E231 HydrophobicContact CB-CB 4.49Å; A167-E231 HydrophobicContact CB-CG 4.13Å; R227-E231 PolarHBondContact O-N 2.89Å; A228-E231 PolarHBondContact O-N 2.91Å; E231-S234 PolarHBondContact O-N 2.93Å; E231-G235 PolarHBondContact O-N 2.97Å
232	I	98	Very high	97.5	Very high	9 Å²	9	57 Å²	57	5%	0.046	25%	0.251	C	S	.	.	H	α-helix	trans	-58.1	-52.6	176.2	-68.9	160.1	0	0	0	111.1	Q83 L84 E87 L164 A228 S234 G235 Q236	Q83-I232 HydrophobicContact CB-CD1 3.65Å; L84-I232 HydrophobicContact CD2-CD1 4.07Å; L84-I232 HydrophobicContact CD2-CG1 3.75Å; L84-I232 HydrophobicContact CG-CD1 4.03Å; L84-I232 HydrophobicContact CG-CG1 4.23Å; E87-I232 HydrophobicContact CB-CG1 4.26Å; E87-I232 HydrophobicContact CB-CG2 4.47Å; E87-I232 HydrophobicContact CG-CG1 4.43Å; E87-I232 HydrophobicContact CG-CG2 4.38Å; L164-I232 HydrophobicContact CD2-CG1 4.49Å; A228-I232 WeakPolarHBondContact O-CD1 3.47Å; A228-I232 VanDerWaalsContact O-CG1 3.23Å; A228-I232 WeakPolarHBondContact O-CG1 3.39Å; A228-I232 PolarHBondContact O-N 2.7Å; I232-S234 PolarHBondContact O-N 3.39Å; I232-G235 PolarHBondContact O-N 3.08Å; I232-G235 VanDerWaalsContact O-N 3.09Å; I232-Q236 WeakPolarHBondContact O-CG 3.49Å; I232-Q236 PolarHBondContact O-N 2.99Å
233	R	98.2	Very high	97.5	Very high	129 Å²	129	53.7 Å²	53.7	49%	0.487	24%	0.239	S	C	.	.	H	α-helix	trans	-60.1	-34	178.6	-77.1	-177.1	-114.9	176.8	-6.6	112.8	Q229 R237	Q229-R233 WeakPolarHBondContact O-CG 3.49Å; Q229-R233 PolarHBondContact O-N 2.84Å; Q229-R233 VanDerWaalsContact O-N 3.15Å; Q229-R233 PolarHBondContact O-NE 3.27Å; R233-R237 WeakPolarHBondContact O-CG 3.23Å; R233-R237 PolarHBondContact O-N 3.38Å
234	S	97.5	Very high	97.5	Very high	25 Å²	25	52.3 Å²	52.3	18%	0.175	24%	0.24	C	C	.	.	H	α-helix	trans	-74	-34	178.5	-55.6	0	0	0	0	112	T230 E231 I232 L238	T230-S234 WeakPolarHBondContact O-CB 3.43Å; T230-S234 PolarHBondContact O-N 2.97Å; T230-S234 PolarHBondContact O-OG 3.32Å; E231-S234 PolarHBondContact O-N 2.93Å; I232-S234 PolarHBondContact O-N 3.39Å; S234-L238 PolarHBondContact O-N 3.44Å; S234-L238 VanDerWaalsContact O-N 3.15Å
235	G	97.9	Very high	97.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-45.3	169.7	0	0	0	0	0	112.4	E87 E231 I232 R237 L238 R239	E87-G235 WeakPolarHBondContact OE1-CA 3.36Å; E231-G235 PolarHBondContact O-N 2.97Å; I232-G235 PolarHBondContact O-N 3.08Å; I232-G235 VanDerWaalsContact O-N 3.09Å; G235-R237 PolarHBondContact O-N 3.24Å; G235-L238 WeakPolarHBondContact O-CA 3.46Å; G235-L238 WeakPolarHBondContact O-CB 3.47Å; G235-L238 PolarHBondContact O-N 3.22Å; G235-R239 WeakPolarHBondContact O-CG 3.13Å; G235-R239 PolarHBondContact O-N 3.15Å
236	Q	97.6	Very high	97.4	Very high	79 Å²	79	48.6 Å²	48.6	37%	0.369	23%	0.227	S	C	.	.	H	α-helix	trans	-56.4	-50.3	176.4	-70.4	171.5	-19.2	0	0	112.4	E87 I232 L238 R239 E240	E87-Q236 PolarHBondContact OE1-N 2.92Å; E87-Q236 VanDerWaalsContact OE1-N 3.11Å; I232-Q236 WeakPolarHBondContact O-CG 3.49Å; I232-Q236 PolarHBondContact O-N 2.99Å; Q236-L238 PolarHBondContact O-N 3.49Å; Q236-R239 PolarHBondContact O-N 3.31Å; Q236-R239 VanDerWaalsContact O-N 3.11Å; Q236-E240 PolarHBondContact O-N 2.91Å
237	R	98	Very high	97.3	Very high	167 Å²	167	45.6 Å²	45.6	63%	0.63	22%	0.217	S	C	*	.	H	α-helix	trans	-59.4	-36.3	175.7	-69.4	173.7	-172.1	165.2	0.8	112.6	R233 G235 A241	R233-R237 WeakPolarHBondContact O-CG 3.23Å; R233-R237 PolarHBondContact O-N 3.38Å; G235-R237 PolarHBondContact O-N 3.24Å; R237-A241 WeakPolarHBondContact O-CB 3.36Å; R237-A241 PolarHBondContact O-N 3.31Å
238	L	97.9	Very high	97.3	Very high	15 Å²	15	48.2 Å²	48.2	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-67.7	-40.7	176.9	179.1	59.3	0	0	0	111.3	E156 A157 R160 S234 G235 Q236 E240 A241 I242	E156-L238 HydrophobicContact CB-CD1 3.9Å; E156-L238 HydrophobicContact CB-CD2 4.36Å; E156-L238 WeakPolarHBondContact O-CD2 3.29Å; E156-L238 VanDerWaalsContact OE2-CD1 3.27Å; E156-L238 WeakPolarHBondContact OE2-CD1 3.28Å; A157-L238 HydrophobicContact CB-CD2 4.36Å; R160-L238 HydrophobicContact CB-CD2 3.63Å; R160-L238 HydrophobicContact CG-CD2 4.02Å; S234-L238 PolarHBondContact O-N 3.44Å; S234-L238 VanDerWaalsContact O-N 3.15Å; G235-L238 WeakPolarHBondContact O-CA 3.46Å; G235-L238 WeakPolarHBondContact O-CB 3.47Å; G235-L238 PolarHBondContact O-N 3.22Å; Q236-L238 PolarHBondContact O-N 3.49Å; L238-E240 VanDerWaalsContact C-N 3.35Å; L238-E240 PolarHBondContact O-N 2.81Å; L238-A241 PolarHBondContact O-N 3.29Å; L238-I242 HydrophobicContact CD1-CD1 4.33Å; L238-I242 HydrophobicContact CD1-CG1 4.31Å; L238-I242 HydrophobicContact CG-CD1 3.99Å; L238-I242 HydrophobicContact CG-CG1 4.44Å; L238-I242 WeakPolarHBondContact O-CB 3.41Å; L238-I242 VanDerWaalsContact O-CG1 3.3Å; L238-I242 WeakPolarHBondContact O-CG1 3.42Å; L238-I242 PolarHBondContact O-N 3.05Å
239	R	97.4	Very high	97.2	Very high	13 Å²	13	48.2 Å²	48.2	5%	0.049	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-43.2	175	-62.8	-159.6	-49.3	-87.1	13.4	112.2	E87 M90 V91 G235 Q236 A241 I242 Y243 L437 A439	E87-R239 IonicContact OE1-CZ 2.97Å; E87-R239 IonicContact OE1-NH1 3.89Å; E87-R239 PolarHBondContact OE1-NH1 3.11Å; E87-R239 IonicContact OE2-CZ 3.68Å; E87-R239 IonicContact OE2-NH1 3.84Å; E87-R239 PolarHBondContact OE2-NH1 3.26Å; M90-R239 WeakPolarHBondContact O-CD 3.38Å; V91-R239 HydrophobicContact CG2-CG 4.18Å; G235-R239 WeakPolarHBondContact O-CG 3.13Å; G235-R239 PolarHBondContact O-N 3.15Å; Q236-R239 PolarHBondContact O-N 3.31Å; Q236-R239 VanDerWaalsContact O-N 3.11Å; R239-A241 VanDerWaalsContact C-N 3.32Å; R239-A241 PolarHBondContact O-N 2.96Å; R239-I242 WeakPolarHBondContact O-CB 3.42Å; R239-I242 PolarHBondContact O-N 3.01Å; R239-Y243 WeakPolarHBondContact O-CB 3.39Å; R239-Y243 PolarHBondContact O-N 2.98Å; R239-L437 PolarHBondContact NE-O 3.36Å; R239-L437 VanDerWaalsContact NE-O 3.15Å; R239-A439 PolarHBondContact NH2-OXT 3.46Å
240	E	96.5	Very high	97	Very high	105 Å²	105	47.3 Å²	47.3	49%	0.491	23%	0.228	S	C	.	.	H	α-helix	trans	-58.6	-45.7	174	-68.7	171.2	-175.8	0	0	111	Q236 L238 I242 Y243 L244	Q236-E240 PolarHBondContact O-N 2.91Å; L238-E240 VanDerWaalsContact C-N 3.35Å; L238-E240 PolarHBondContact O-N 2.81Å; E240-I242 PolarHBondContact O-N 3.31Å; E240-Y243 PolarHBondContact O-N 2.92Å; E240-L244 WeakPolarHBondContact O-CG 3.44Å; E240-L244 PolarHBondContact O-N 3.48Å
241	A	97.6	Very high	96.9	Very high	31 Å²	31	48.7 Å²	48.7	26%	0.256	23%	0.232	S	C	.	.	H	α-helix	trans	-64.9	-38.4	177.3	0	0	0	0	0	112.9	R237 L238 R239 T245	R237-A241 WeakPolarHBondContact O-CB 3.36Å; R237-A241 PolarHBondContact O-N 3.31Å; L238-A241 PolarHBondContact O-N 3.29Å; R239-A241 VanDerWaalsContact C-N 3.32Å; R239-A241 PolarHBondContact O-N 2.96Å; A241-T245 WeakPolarHBondContact O-CB 3.45Å; A241-T245 PolarHBondContact O-N 3.27Å; A241-T245 PolarHBondContact O-OG1 3.26Å
242	I	97.7	Very high	96.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-51.5	173.2	-76.8	166.9	0	0	0	109.6	V98 K153 A157 L238 R239 E240 L244 T245 L246	V98-I242 HydrophobicContact CG2-CB 4.47Å; V98-I242 HydrophobicContact CG2-CG1 4.39Å; V98-I242 HydrophobicContact CG2-CG2 3.45Å; V98-I242 VanDerWaalsContact CG2-CG2 3.45Å; K153-I242 HydrophobicContact CB-CG1 4.18Å; A157-I242 HydrophobicContact CB-CD1 4.17Å; L238-I242 HydrophobicContact CD1-CD1 4.33Å; L238-I242 HydrophobicContact CD1-CG1 4.31Å; L238-I242 HydrophobicContact CG-CD1 3.99Å; L238-I242 HydrophobicContact CG-CG1 4.44Å; L238-I242 WeakPolarHBondContact O-CB 3.41Å; L238-I242 VanDerWaalsContact O-CG1 3.3Å; L238-I242 WeakPolarHBondContact O-CG1 3.42Å; L238-I242 PolarHBondContact O-N 3.05Å; R239-I242 WeakPolarHBondContact O-CB 3.42Å; R239-I242 PolarHBondContact O-N 3.01Å; E240-I242 PolarHBondContact O-N 3.31Å; I242-L244 PolarHBondContact O-N 3.05Å; I242-T245 PolarHBondContact O-N 2.88Å; I242-T245 VanDerWaalsContact O-N 3.15Å; I242-L246 HydrophobicContact CG2-CD1 3.86Å; I242-L246 HydrophobicContact CG2-CG 4.34Å; I242-L246 WeakPolarHBondContact O-CG 3.46Å; I242-L246 PolarHBondContact O-N 3.46Å
243	Y	96	Very high	96.7	Very high	58 Å²	58	51.2 Å²	51.2	23%	0.227	25%	0.247	C	C	.	.	H	α-helix	trans	-56.8	-49	179.7	175.6	-103.4	0	0	0	111.8	R239 E240 T245 L246 C247 A434 L437 L438	R239-Y243 WeakPolarHBondContact O-CB 3.39Å; R239-Y243 PolarHBondContact O-N 2.98Å; E240-Y243 PolarHBondContact O-N 2.92Å; Y243-T245 VanDerWaalsContact C-N 3.32Å; Y243-T245 PolarHBondContact O-N 2.9Å; Y243-L246 PolarHBondContact O-N 3.32Å; Y243-C247 PolarHBondContact O-N 2.86Å; Y243-C247 PolarHBondContact O-SG 3.49Å; Y243-A434 HydrophobicContact CD2-CB 4.34Å; Y243-A434 HydrophobicContact CE2-CB 3.53Å; Y243-L437 HydrophobicContact CD2-CD1 4.45Å; Y243-L438 HydrophobicContact CD1-CD1 4.25Å; Y243-L438 HydrophobicContact CD1-CD2 3.96Å; Y243-L438 HydrophobicContact CD1-CG 4.34Å; Y243-L438 HydrophobicContact CE1-CD1 3.94Å; Y243-L438 HydrophobicContact CE1-CD2 4.41Å; Y243-L438 HydrophobicContact CE2-CD1 4.43Å; Y243-L438 HydrophobicContact CG-CD2 4.27Å; Y243-L438 HydrophobicContact CG-CG 4.41Å
244	L	96.4	Very high	96.4	Very high	98 Å²	98	48.2 Å²	48.2	51%	0.513	24%	0.239	S	C	.	.	H	α-helix	trans	-60.4	-41.4	177.1	-69.8	173.3	0	0	0	112.3	E240 I242 C247 Q248	E240-L244 WeakPolarHBondContact O-CG 3.44Å; E240-L244 PolarHBondContact O-N 3.48Å; I242-L244 PolarHBondContact O-N 3.05Å; L244-C247 PolarHBondContact O-N 3.42Å; L244-Q248 WeakPolarHBondContact O-CB 3.28Å; L244-Q248 VanDerWaalsContact O-CG 3.28Å; L244-Q248 WeakPolarHBondContact O-CG 3.46Å; L244-Q248 PolarHBondContact O-N 3.46Å
245	T	97.1	Very high	96.3	Very high	17 Å²	17	49.8 Å²	49.8	10%	0.104	25%	0.253	C	S	.	.	H	α-helix	trans	-64.2	-43.6	178.6	-57.2	0	0	0	0	111	K149 L150 K153 A241 I242 Y243 Q248 V249	K149-T245 HydrophobicContact CB-CG2 4.3Å; L150-T245 HydrophobicContact CD2-CG2 4.34Å; K153-T245 HydrophobicContact CG-CG2 4.07Å; A241-T245 WeakPolarHBondContact O-CB 3.45Å; A241-T245 PolarHBondContact O-N 3.27Å; A241-T245 PolarHBondContact O-OG1 3.26Å; I242-T245 PolarHBondContact O-N 2.88Å; I242-T245 VanDerWaalsContact O-N 3.15Å; Y243-T245 VanDerWaalsContact C-N 3.32Å; Y243-T245 PolarHBondContact O-N 2.9Å; T245-Q248 PolarHBondContact O-N 2.86Å; T245-V249 HydrophobicContact CG2-CG2 4.35Å; T245-V249 WeakPolarHBondContact O-CB 3.29Å; T245-V249 VanDerWaalsContact O-CG2 3.32Å; T245-V249 WeakPolarHBondContact O-CG2 3.33Å; T245-V249 PolarHBondContact O-N 2.71Å
246	L	96.5	Very high	96.3	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-60.5	-46.5	177	-70.3	170.5	0	0	0	111.2	A97 V98 Q101 L150 I242 Y243 V249 S250 I429 L437	A97-L246 HydrophobicContact CB-CD1 4.14Å; V98-L246 HydrophobicContact CG2-CD1 4.29Å; V98-L246 HydrophobicContact CG2-CD2 4.02Å; V98-L246 HydrophobicContact CG2-CG 4.18Å; Q101-L246 HydrophobicContact CB-CD2 3.63Å; Q101-L246 HydrophobicContact CG-CD2 3.83Å; L150-L246 HydrophobicContact CD2-CD2 3.88Å; I242-L246 HydrophobicContact CG2-CD1 3.86Å; I242-L246 HydrophobicContact CG2-CG 4.34Å; I242-L246 WeakPolarHBondContact O-CG 3.46Å; I242-L246 PolarHBondContact O-N 3.46Å; Y243-L246 PolarHBondContact O-N 3.32Å; L246-V249 PolarHBondContact O-N 2.99Å; L246-S250 WeakPolarHBondContact O-CB 3.47Å; L246-S250 PolarHBondContact O-N 3.27Å; L246-I429 HydrophobicContact CB-CD1 3.29Å; L246-I429 HydrophobicContact CB-CG1 4.05Å; L246-I429 HydrophobicContact CD1-CD1 4.43Å; L246-I429 HydrophobicContact CG-CD1 4.42Å; L246-L437 HydrophobicContact CD1-CD1 4.25Å
247	C	95.2	Very high	96.2	Very high	35 Å²	35	46.7 Å²	46.7	24%	0.236	24%	0.239	C	C	.	.	H	α-helix	trans	-61.8	-45.5	177.5	-70.4	0	0	0	0	112.1	Y243 L244 S250 N251	Y243-C247 PolarHBondContact O-N 2.86Å; Y243-C247 PolarHBondContact O-SG 3.49Å; L244-C247 PolarHBondContact O-N 3.42Å; C247-S250 PolarHBondContact O-N 3.42Å; C247-N251 VanDerWaalsContact O-CG 3.23Å; C247-N251 PolarHBondContact O-N 3.29Å; C247-N251 PolarHBondContact O-ND2 2.82Å
248	Q	96.3	Very high	96	Very high	102 Å²	102	43.8 Å²	43.8	48%	0.477	23%	0.232	S	C	.	.	H	α-helix	trans	-61.2	-46.9	177.8	-74.9	174.4	0.8	0	0	111.7	L244 T245 S250 N251 D252	L244-Q248 WeakPolarHBondContact O-CB 3.28Å; L244-Q248 VanDerWaalsContact O-CG 3.28Å; L244-Q248 WeakPolarHBondContact O-CG 3.46Å; L244-Q248 PolarHBondContact O-N 3.46Å; T245-Q248 PolarHBondContact O-N 2.86Å; Q248-S250 VanDerWaalsContact C-N 3.33Å; Q248-S250 PolarHBondContact O-N 3.21Å; Q248-N251 PolarHBondContact O-N 3.36Å; Q248-D252 WeakPolarHBondContact O-CB 3.46Å; Q248-D252 VanDerWaalsContact O-CG 3.26Å; Q248-D252 PolarHBondContact O-N 2.98Å
249	V	96.1	Very high	96	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-43.6	178.5	165.8	0	0	0	0	111	I105 L150 T245 L246 N251 D252 L253	I105-V249 HydrophobicContact CD1-CG1 3.95Å; L150-V249 HydrophobicContact CD1-CG1 4.16Å; L150-V249 HydrophobicContact CD2-CG2 4.15Å; L150-V249 HydrophobicContact CG-CG2 4.25Å; T245-V249 HydrophobicContact CG2-CG2 4.35Å; T245-V249 WeakPolarHBondContact O-CB 3.29Å; T245-V249 VanDerWaalsContact O-CG2 3.32Å; T245-V249 WeakPolarHBondContact O-CG2 3.33Å; T245-V249 PolarHBondContact O-N 2.71Å; L246-V249 PolarHBondContact O-N 2.99Å; V249-N251 PolarHBondContact O-N 2.91Å; V249-D252 PolarHBondContact O-N 3.06Å; V249-L253 HydrophobicContact CG1-CD1 3.6Å; V249-L253 HydrophobicContact CG1-CG 4.24Å; V249-L253 WeakPolarHBondContact O-CB 3.4Å; V249-L253 WeakPolarHBondContact O-CD1 3.46Å; V249-L253 WeakPolarHBondContact O-CG 3.44Å; V249-L253 PolarHBondContact O-N 3.05Å
250	S	94.3	Very high	96	Very high	10 Å²	10	44.2 Å²	44.2	7%	0.07	24%	0.241	C	C	.	.	H	α-helix	trans	-60	-47.6	177.9	-162.8	0	0	0	0	111.5	L246 C247 Q248 L253 E254 T427	L246-S250 WeakPolarHBondContact O-CB 3.47Å; L246-S250 PolarHBondContact O-N 3.27Å; C247-S250 PolarHBondContact O-N 3.42Å; Q248-S250 VanDerWaalsContact C-N 3.33Å; Q248-S250 PolarHBondContact O-N 3.21Å; S250-L253 PolarHBondContact O-N 2.77Å; S250-E254 WeakPolarHBondContact O-CB 3.44Å; S250-E254 PolarHBondContact O-N 3.06Å; S250-T427 WeakPolarHBondContact CB-O 3.37Å; S250-T427 VanDerWaalsContact OG-CB 3.3Å; S250-T427 WeakPolarHBondContact OG-CB 3.46Å; S250-T427 PolarHBondContact OG-O 3.47Å; S250-T427 PolarHBondContact OG-OG1 3.38Å
251	N	94.6	Very high	95.9	Very high	101 Å²	101	40.6 Å²	40.6	54%	0.54	22%	0.224	S	C	.	.	H	α-helix	trans	-64.4	-44.9	179	-67.5	-15.6	0	0	0	112.8	C247 Q248 V249 L253 E254 A255	C247-N251 VanDerWaalsContact O-CG 3.23Å; C247-N251 PolarHBondContact O-N 3.29Å; C247-N251 PolarHBondContact O-ND2 2.82Å; Q248-N251 PolarHBondContact O-N 3.36Å; V249-N251 PolarHBondContact O-N 2.91Å; N251-L253 VanDerWaalsContact C-N 3.34Å; N251-L253 PolarHBondContact O-N 2.77Å; N251-E254 PolarHBondContact O-N 3.31Å; N251-A255 VanDerWaalsContact O-CB 3.28Å; N251-A255 WeakPolarHBondContact O-CB 3.49Å; N251-A255 PolarHBondContact O-N 2.98Å
252	D	95.9	Very high	95.8	Very high	71 Å²	71	44.2 Å²	44.2	38%	0.38	23%	0.234	S	C	.	.	H	α-helix	trans	-62.5	-42.6	-179.4	-74.8	-12.5	0	0	0	111	V142 Q248 V249 Q256	V142-D252 HydrophobicContact CG1-CB 4.17Å; Q248-D252 WeakPolarHBondContact O-CB 3.46Å; Q248-D252 VanDerWaalsContact O-CG 3.26Å; Q248-D252 PolarHBondContact O-N 2.98Å; V249-D252 PolarHBondContact O-N 3.06Å; D252-Q256 WeakPolarHBondContact O-CB 3.41Å; D252-Q256 PolarHBondContact O-N 2.87Å; D252-Q256 VanDerWaalsContact O-N 3.12Å
253	L	95.3	Very high	95.8	Very high	17 Å²	17	44.5 Å²	44.5	9%	0.089	24%	0.236	C	C	.	.	H	α-helix	trans	-66.8	-45.4	178	-70.5	172.3	0	0	0	111.6	I105 V142 I143 V249 S250 N251 A257 T427	I105-L253 HydrophobicContact CD1-CD1 3.76Å; I105-L253 HydrophobicContact CG1-CD1 3.67Å; V142-L253 HydrophobicContact CG1-CD2 4.17Å; I143-L253 HydrophobicContact CB-CD2 4.35Å; I143-L253 HydrophobicContact CG1-CD2 3.5Å; I143-L253 VanDerWaalsContact CG1-CD2 3.5Å; V249-L253 HydrophobicContact CG1-CD1 3.6Å; V249-L253 HydrophobicContact CG1-CG 4.24Å; V249-L253 WeakPolarHBondContact O-CB 3.4Å; V249-L253 WeakPolarHBondContact O-CD1 3.46Å; V249-L253 WeakPolarHBondContact O-CG 3.44Å; V249-L253 PolarHBondContact O-N 3.05Å; S250-L253 PolarHBondContact O-N 2.77Å; N251-L253 VanDerWaalsContact C-N 3.34Å; N251-L253 PolarHBondContact O-N 2.77Å; L253-A257 WeakPolarHBondContact O-CB 3.45Å; L253-A257 PolarHBondContact O-N 3.35Å; L253-T427 HydrophobicContact CD1-CG2 3.94Å
254	E	93.6	Very high	95.9	Very high	67 Å²	67	41.7 Å²	41.7	31%	0.313	23%	0.226	S	C	.	.	H	α-helix	trans	-62.9	-49.6	179.3	-175.9	170.9	-174.5	0	0	111.4	S250 N251 Q256 A257 Q258	S250-E254 WeakPolarHBondContact O-CB 3.44Å; S250-E254 PolarHBondContact O-N 3.06Å; N251-E254 PolarHBondContact O-N 3.31Å; E254-Q256 PolarHBondContact O-N 3.09Å; E254-A257 PolarHBondContact O-N 3.16Å; E254-Q258 WeakPolarHBondContact O-CG 3.47Å; E254-Q258 PolarHBondContact O-N 3.38Å; E254-Q258 PolarHBondContact OE1-NE2 3Å
255	A	95.5	Very high	95.9	Very high	58 Å²	58	41 Å²	41	48%	0.479	22%	0.216	S	C	.	.	H	α-helix	trans	-59.2	-45.3	-179.8	0	0	0	0	0	112	N251 Q258 A259	N251-A255 VanDerWaalsContact O-CB 3.28Å; N251-A255 WeakPolarHBondContact O-CB 3.49Å; N251-A255 PolarHBondContact O-N 2.98Å; A255-Q258 PolarHBondContact O-N 3.19Å; A255-A259 PolarHBondContact O-N 3.24Å; A255-A259 VanDerWaalsContact O-N 3.09Å
256	Q	97.2	Very high	95.9	Very high	11 Å²	11	44.9 Å²	44.9	5%	0.051	23%	0.233	C	C	.	.	H	α-helix	trans	-70.2	-34.9	-180	-174.8	54.1	46.2	0	0	112.2	Q135 K138 E139 V142 D252 E254 A259 T260	Q135-Q256 PolarHBondContact O-NE2 2.94Å; K138-Q256 VanDerWaalsContact CD-OE1 3.31Å; E139-Q256 HydrophobicContact CB-CG 3.87Å; E139-Q256 HydrophobicContact CG-CG 4.16Å; V142-Q256 HydrophobicContact CB-CG 4.39Å; V142-Q256 HydrophobicContact CG2-CB 4.39Å; V142-Q256 HydrophobicContact CG2-CG 4.08Å; D252-Q256 WeakPolarHBondContact O-CB 3.41Å; D252-Q256 PolarHBondContact O-N 2.87Å; D252-Q256 VanDerWaalsContact O-N 3.12Å; E254-Q256 PolarHBondContact O-N 3.09Å; Q256-A259 PolarHBondContact O-N 3.18Å; Q256-T260 PolarHBondContact O-N 2.94Å; Q256-T260 PolarHBondContact O-OG1 2.9Å
257	A	95	Very high	95.9	Very high	2 Å²	2	47 Å²	47	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-71.3	-33.6	178.3	0	0	0	0	0	112.5	E139 L253 E254 E261 R393 M397 R399	E139-A257 WeakPolarHBondContact OE1-CA 3.45Å; E139-A257 WeakPolarHBondContact OE1-CB 3.22Å; L253-A257 WeakPolarHBondContact O-CB 3.45Å; L253-A257 PolarHBondContact O-N 3.35Å; E254-A257 PolarHBondContact O-N 3.16Å; A257-E261 WeakPolarHBondContact O-CB 3.25Å; A257-E261 PolarHBondContact O-N 3.39Å; A257-R393 PolarHBondContact O-NH2 2.96Å; A257-R393 VanDerWaalsContact O-NH2 3.16Å; A257-M397 HydrophobicContact CB-CE 4.32Å; A257-R399 PolarHBondContact O-NH1 3.1Å
258	Q	95	Very high	96	Very high	106 Å²	106	47.1 Å²	47.1	50%	0.495	24%	0.237	S	C	.	.	H	α-helix	trans	-65.4	-44	170.9	-72.5	176.5	4.4	0	0	111.4	E254 A255 T260 E261 F262	E254-Q258 WeakPolarHBondContact O-CG 3.47Å; E254-Q258 PolarHBondContact O-N 3.38Å; E254-Q258 PolarHBondContact OE1-NE2 3Å; A255-Q258 PolarHBondContact O-N 3.19Å; Q258-T260 VanDerWaalsContact C-N 3.28Å; Q258-T260 PolarHBondContact O-N 3.02Å; Q258-E261 PolarHBondContact O-N 3.15Å; Q258-F262 WeakPolarHBondContact O-CB 3.48Å; Q258-F262 PolarHBondContact O-N 3.35Å
259	A	96.5	Very high	96	Very high	37 Å²	37	45.6 Å²	45.6	31%	0.306	23%	0.23	S	C	.	.	H	α-helix	trans	-59.7	-39.8	176.1	0	0	0	0	0	112.1	A255 Q256 A263	A255-A259 PolarHBondContact O-N 3.24Å; A255-A259 VanDerWaalsContact O-N 3.09Å; Q256-A259 PolarHBondContact O-N 3.18Å; A259-A263 PolarHBondContact O-N 3.25Å; A259-A263 VanDerWaalsContact O-N 3.09Å
260	T	97	Very high	96	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-68.5	-42.3	178.1	-52.6	0	0	0	0	112	Q135 L136 E139 Q256 Q258 A263 L264	Q135-T260 HydrophobicContact CB-CG2 4.07Å; Q135-T260 PolarHBondContact O-OG1 3.43Å; L136-T260 HydrophobicContact CB-CG2 4.48Å; L136-T260 HydrophobicContact CD2-CG2 3.61Å; L136-T260 HydrophobicContact CG-CG2 3.7Å; E139-T260 WeakPolarHBondContact OE2-CB 3.5Å; E139-T260 WeakPolarHBondContact OE2-CG2 3.4Å; E139-T260 PolarHBondContact OE2-OG1 3.49Å; Q256-T260 PolarHBondContact O-N 2.94Å; Q256-T260 PolarHBondContact O-OG1 2.9Å; Q258-T260 VanDerWaalsContact C-N 3.28Å; Q258-T260 PolarHBondContact O-N 3.02Å; T260-A263 PolarHBondContact O-N 3.21Å; T260-L264 HydrophobicContact CG2-CD1 4.39Å; T260-L264 WeakPolarHBondContact O-CG 3.41Å; T260-L264 PolarHBondContact O-N 2.95Å
261	E	95.4	Very high	96.2	Very high	30 Å²	30	48.2 Å²	48.2	14%	0.14	24%	0.243	C	C	.	.	H	α-helix	trans	-65.9	-38.1	177.3	-172	178.5	155.3	0	0	112.5	A257 Q258 L264 R265 R399	A257-E261 WeakPolarHBondContact O-CB 3.25Å; A257-E261 PolarHBondContact O-N 3.39Å; Q258-E261 PolarHBondContact O-N 3.15Å; E261-L264 PolarHBondContact O-N 3.11Å; E261-R265 WeakPolarHBondContact O-CG 3.28Å; E261-R265 PolarHBondContact O-N 3.11Å; E261-R399 IonicContact OE2-NH1 3.67Å; E261-R399 PolarHBondContact OE2-NH1 3.17Å
262	F	96.5	Very high	96.3	Very high	106 Å²	106	46.2 Å²	46.2	47%	0.465	23%	0.231	S	C	.	.	H	α-helix	trans	-60.8	-47.7	172.2	176.5	-96.2	0	0	0	111.4	Q258 L264 R265 Q266	Q258-F262 WeakPolarHBondContact O-CB 3.48Å; Q258-F262 PolarHBondContact O-N 3.35Å; F262-L264 VanDerWaalsContact C-N 3.33Å; F262-L264 PolarHBondContact O-N 3.15Å; F262-R265 PolarHBondContact O-N 2.92Å; F262-Q266 WeakPolarHBondContact O-CB 3.42Å; F262-Q266 PolarHBondContact O-N 3.26Å
263	A	97.7	Very high	96.4	Very high	6 Å²	6	48 Å²	48	5%	0.05	24%	0.237	C	C	.	.	H	α-helix	trans	-61.9	-39.4	179.6	0	0	0	0	0	112.6	A131 P132 Q135 A259 T260 R267	A131-A263 HydrophobicContact CB-CB 4.39Å; P132-A263 HydrophobicContact CB-CB 4.22Å; Q135-A263 HydrophobicContact CB-CB 4.37Å; Q135-A263 HydrophobicContact CG-CB 3.89Å; A259-A263 PolarHBondContact O-N 3.25Å; A259-A263 VanDerWaalsContact O-N 3.09Å; T260-A263 PolarHBondContact O-N 3.21Å; A263-R267 WeakPolarHBondContact O-CB 3.43Å; A263-R267 PolarHBondContact O-N 3.43Å
264	L	96.5	Very high	96.5	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.9	-44.5	174.9	-74.4	167.6	0	0	0	112.1	P132 T260 E261 F262 R267 K268 C389 L390 R393	P132-L264 HydrophobicContact CB-CD2 3.58Å; P132-L264 HydrophobicContact CB-CG 3.93Å; P132-L264 HydrophobicContact CG-CD2 4.39Å; T260-L264 HydrophobicContact CG2-CD1 4.39Å; T260-L264 WeakPolarHBondContact O-CG 3.41Å; T260-L264 PolarHBondContact O-N 2.95Å; E261-L264 PolarHBondContact O-N 3.11Å; F262-L264 VanDerWaalsContact C-N 3.33Å; F262-L264 PolarHBondContact O-N 3.15Å; L264-R267 PolarHBondContact O-N 3.25Å; L264-K268 WeakPolarHBondContact O-CB 3.26Å; L264-K268 PolarHBondContact O-N 2.9Å; L264-C389 HydrophobicContact CD2-CB 4.2Å; L264-L390 HydrophobicContact CB-CD2 3.68Å; L264-L390 HydrophobicContact CB-CG 4.16Å; L264-L390 HydrophobicContact CD1-CD2 4.35Å; L264-R393 VanDerWaalsContact CD1-CD 3.47Å
265	R	97	Very high	96.7	Very high	84 Å²	84	46 Å²	46	32%	0.317	23%	0.233	S	C	.	.	H	α-helix	trans	-63.6	-43.1	177.3	-77.8	-173.1	-77.2	152.7	-9.1	112.3	E261 F262 R267 K268 H269 L390 P402	E261-R265 WeakPolarHBondContact O-CG 3.28Å; E261-R265 PolarHBondContact O-N 3.11Å; F262-R265 PolarHBondContact O-N 2.92Å; R265-R267 VanDerWaalsContact C-N 3.31Å; R265-R267 PolarHBondContact O-N 3.32Å; R265-K268 WeakPolarHBondContact O-CB 3.42Å; R265-K268 PolarHBondContact O-N 3.47Å; R265-H269 PolarHBondContact O-N 3.13Å; R265-L390 HydrophobicContact CG-CD1 4.23Å; R265-L390 HydrophobicContact CG-CD2 3.95Å; R265-P402 VanDerWaalsContact NH1-CG 3.31Å
266	Q	97	Very high	96.8	Very high	98 Å²	98	48.4 Å²	48.4	46%	0.458	24%	0.238	S	C	.	.	H	α-helix	trans	-60.1	-44.9	175.3	-174.4	174.6	12.2	0	0	110.9	F262 K268 H269 D270	F262-Q266 WeakPolarHBondContact O-CB 3.42Å; F262-Q266 PolarHBondContact O-N 3.26Å; Q266-K268 PolarHBondContact O-N 3.24Å; Q266-H269 WeakPolarHBondContact O-CB 3.23Å; Q266-H269 PolarHBondContact O-N 3.18Å; Q266-D270 PolarHBondContact O-N 3.25Å
267	R	96.1	Very high	96.9	Very high	47 Å²	47	52.6 Å²	52.6	18%	0.177	26%	0.257	C	S	.	.	H	α-helix	trans	-67.3	-37.4	-179.7	-170.4	58.8	172.6	156.1	11.9	113.1	D130 P132 A263 L264 R265 H269 D270 F271	D130-R267 IonicContact OD2-CZ 2.89Å; D130-R267 IonicContact OD2-NE 2.7Å; D130-R267 PolarHBondContact OD2-NE 3.01Å; P132-R267 HydrophobicContact CG-CB 3.56Å; P132-R267 HydrophobicContact CG-CG 3.85Å; A263-R267 WeakPolarHBondContact O-CB 3.43Å; A263-R267 PolarHBondContact O-N 3.43Å; L264-R267 PolarHBondContact O-N 3.25Å; R265-R267 VanDerWaalsContact C-N 3.31Å; R265-R267 PolarHBondContact O-N 3.32Å; R267-H269 VanDerWaalsContact C-N 3.31Å; R267-D270 IonicContact NH1-OD2 3.49Å; R267-D270 PolarHBondContact O-N 3.32Å; R267-F271 HydrophobicContact CG-CD2 4.23Å; R267-F271 HydrophobicContact CG-CE2 3.88Å; R267-F271 VanDerWaalsContact O-CD2 3.23Å; R267-F271 WeakPolarHBondContact O-CD2 3.31Å; R267-F271 PolarHBondContact O-N 3.41Å
268	K	96.9	Very high	97	Very high	36 Å²	36	53.8 Å²	53.8	16%	0.157	26%	0.263	C	S	.	.	H	α-helix	trans	-55.8	-48.8	170.5	179.8	-168.8	161.2	-174.6	0	110.5	L264 R265 Q266 D270 F271 E272 L383 E386 N387 L390	L264-K268 WeakPolarHBondContact O-CB 3.26Å; L264-K268 PolarHBondContact O-N 2.9Å; R265-K268 WeakPolarHBondContact O-CB 3.42Å; R265-K268 PolarHBondContact O-N 3.47Å; Q266-K268 PolarHBondContact O-N 3.24Å; K268-D270 VanDerWaalsContact C-N 3.35Å; K268-D270 PolarHBondContact O-N 2.8Å; K268-F271 PolarHBondContact O-N 3.05Å; K268-F271 VanDerWaalsContact O-N 3.15Å; K268-E272 WeakPolarHBondContact CE-OE1 3.42Å; K268-E272 IonicContact NZ-OE1 2.81Å; K268-E272 PolarHBondContact O-N 2.85Å; K268-L383 HydrophobicContact CG-CD1 3.66Å; K268-E386 HydrophobicContact CB-CB 4.15Å; K268-N387 WeakPolarHBondContact CD-OD1 3.36Å; K268-N387 WeakPolarHBondContact CE-OD1 3.2Å; K268-L390 HydrophobicContact CB-CD1 4.31Å; K268-L390 HydrophobicContact CD-CD1 3.8Å
269	H	97.2	Very high	97.1	Very high	71 Å²	71	53.3 Å²	53.3	33%	0.329	26%	0.26	S	S	.	.	H	α-helix	trans	-61.1	-41.5	179.1	-173.9	63.3	0	0	0	112.6	R265 Q266 R267 F271 E272 Q273	R265-H269 PolarHBondContact O-N 3.13Å; Q266-H269 WeakPolarHBondContact O-CB 3.23Å; Q266-H269 PolarHBondContact O-N 3.18Å; R267-H269 VanDerWaalsContact C-N 3.31Å; H269-F271 VanDerWaalsContact C-N 3.27Å; H269-F271 PolarHBondContact O-N 2.85Å; H269-E272 PolarHBondContact O-N 2.81Å; H269-Q273 PolarHBondContact NE2-NE2 3.16Å; H269-Q273 PolarHBondContact O-N 2.95Å
270	D	96.6	Very high	97.2	Very high	61 Å²	61	57.8 Å²	57.8	33%	0.326	27%	0.269	S	S	.	.	H	α-helix	trans	-58.2	-39.9	175.6	-63.2	-20.8	0	0	0	111.9	Q266 R267 K268 A274	Q266-D270 PolarHBondContact O-N 3.25Å; R267-D270 IonicContact NH1-OD2 3.49Å; R267-D270 PolarHBondContact O-N 3.32Å; K268-D270 VanDerWaalsContact C-N 3.35Å; K268-D270 PolarHBondContact O-N 2.8Å; D270-A274 WeakPolarHBondContact O-CB 3.29Å; D270-A274 PolarHBondContact O-N 3.42Å
271	F	97.1	Very high	97.3	Very high	4 Å²	4	61.1 Å²	61.1	2%	0.018	28%	0.284	C	S	.	.	H	α-helix	trans	-69.4	-39	177.4	-79.5	-61.2	0	0	0	112.6	R267 K268 H269 A274 L275 K379 L383 E386	R267-F271 HydrophobicContact CG-CD2 4.23Å; R267-F271 HydrophobicContact CG-CE2 3.88Å; R267-F271 VanDerWaalsContact O-CD2 3.23Å; R267-F271 WeakPolarHBondContact O-CD2 3.31Å; R267-F271 PolarHBondContact O-N 3.41Å; K268-F271 PolarHBondContact O-N 3.05Å; K268-F271 VanDerWaalsContact O-N 3.15Å; H269-F271 VanDerWaalsContact C-N 3.27Å; H269-F271 PolarHBondContact O-N 2.85Å; F271-A274 PolarHBondContact O-N 3.12Å; F271-L275 WeakPolarHBondContact O-CB 3.4Å; F271-L275 WeakPolarHBondContact O-CG 3.22Å; F271-L275 PolarHBondContact O-N 3.26Å; F271-K379 HydrophobicContact CD1-CD 3.79Å; F271-K379 HydrophobicContact CE1-CD 3.89Å; F271-L383 HydrophobicContact CB-CB 4.15Å; F271-L383 HydrophobicContact CB-CD1 3.99Å; F271-E386 HydrophobicContact CD2-CG 3.89Å; F271-E386 HydrophobicContact CE2-CG 3.95Å
272	E	97.8	Very high	97.4	Very high	59 Å²	59	62.5 Å²	62.5	28%	0.276	29%	0.29	S	S	.	.	H	α-helix	trans	-61.5	-48.1	175.2	-70.3	171.1	159.2	0	0	110.8	K268 H269 A274 L275 D276 L383	K268-E272 WeakPolarHBondContact CE-OE1 3.42Å; K268-E272 IonicContact NZ-OE1 2.81Å; K268-E272 PolarHBondContact O-N 2.85Å; H269-E272 PolarHBondContact O-N 2.81Å; E272-A274 PolarHBondContact O-N 3.18Å; E272-L275 PolarHBondContact O-N 2.92Å; E272-D276 PolarHBondContact O-N 2.83Å; E272-L383 HydrophobicContact CG-CD1 3.89Å; E272-L383 HydrophobicContact CG-CD2 3.92Å
273	Q	97.9	Very high	97.5	Very high	109 Å²	109	63.1 Å²	63.1	51%	0.509	29%	0.292	S	S	.	.	H	α-helix	trans	-60.2	-44.4	176.3	-70.9	-169.6	-13.4	0	0	112.4	H269 L275 D276 E277	H269-Q273 PolarHBondContact NE2-NE2 3.16Å; H269-Q273 PolarHBondContact O-N 2.95Å; Q273-L275 VanDerWaalsContact C-N 3.31Å; Q273-L275 PolarHBondContact O-N 3.38Å; Q273-D276 PolarHBondContact O-N 3.29Å; Q273-E277 PolarHBondContact O-N 2.64Å; Q273-E277 VanDerWaalsContact O-N 3.08Å
274	A	97	Very high	97.5	Very high	36 Å²	36	66.7 Å²	66.7	30%	0.298	31%	0.308	S	S	.	.	H	α-helix	trans	-63.7	-37.8	178.1	0	0	0	0	0	112	D270 F271 E272 L278	D270-A274 WeakPolarHBondContact O-CB 3.29Å; D270-A274 PolarHBondContact O-N 3.42Å; F271-A274 PolarHBondContact O-N 3.12Å; E272-A274 PolarHBondContact O-N 3.18Å; A274-L278 WeakPolarHBondContact O-CB 3.32Å; A274-L278 VanDerWaalsContact O-CG 3.24Å; A274-L278 WeakPolarHBondContact O-CG 3.27Å; A274-L278 PolarHBondContact O-N 3.38Å
275	L	97.8	Very high	97.6	Very high	6 Å²	6	67.6 Å²	67.6	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-67.4	-42.3	176.6	-82.8	169.6	0	0	0	112.6	F271 E272 Q273 E277 L278 K279 I376 K379 E380 L383	F271-L275 WeakPolarHBondContact O-CB 3.4Å; F271-L275 WeakPolarHBondContact O-CG 3.22Å; F271-L275 PolarHBondContact O-N 3.26Å; E272-L275 PolarHBondContact O-N 2.92Å; Q273-L275 VanDerWaalsContact C-N 3.31Å; Q273-L275 PolarHBondContact O-N 3.38Å; L275-E277 VanDerWaalsContact C-N 3.34Å; L275-L278 PolarHBondContact O-N 3.48Å; L275-K279 WeakPolarHBondContact O-CB 3.36Å; L275-K279 VanDerWaalsContact O-CG 3.27Å; L275-K279 WeakPolarHBondContact O-CG 3.38Å; L275-K279 PolarHBondContact O-N 3.46Å; L275-I376 HydrophobicContact CD2-CG2 4.18Å; L275-K379 HydrophobicContact CD1-CB 4.39Å; L275-K379 HydrophobicContact CD2-CB 3.52Å; L275-K379 HydrophobicContact CG-CB 3.76Å; L275-E380 HydrophobicContact CD1-CG 4.05Å; L275-E380 HydrophobicContact CD2-CG 3.68Å; L275-L383 HydrophobicContact CD1-CB 4.22Å; L275-L383 HydrophobicContact CD1-CD2 3.61Å
276	D	98	Very high	97.6	Very high	108 Å²	108	67.2 Å²	67.2	58%	0.578	32%	0.315	S	S	*	.	H	α-helix	trans	-62.6	-43.6	177.9	-74.3	-16.5	0	0	0	111.1	E272 Q273 K279 W280	E272-D276 PolarHBondContact O-N 2.83Å; Q273-D276 PolarHBondContact O-N 3.29Å; D276-K279 PolarHBondContact O-N 2.92Å; D276-W280 WeakPolarHBondContact O-CB 2.72Å; D276-W280 PolarHBondContact O-N 2.96Å
277	E	98.2	Very high	97.7	Very high	98 Å²	98	66.3 Å²	66.3	46%	0.458	31%	0.313	S	S	.	.	H	α-helix	trans	-62	-47.2	174.5	-178.4	59.5	-152.1	0	0	111.5	Q273 L275 K279 W280 Q281	Q273-E277 PolarHBondContact O-N 2.64Å; Q273-E277 VanDerWaalsContact O-N 3.08Å; L275-E277 VanDerWaalsContact C-N 3.34Å; E277-K279 VanDerWaalsContact C-N 3.34Å; E277-K279 PolarHBondContact O-N 3.3Å; E277-W280 WeakPolarHBondContact O-CB 3.39Å; E277-W280 PolarHBondContact O-N 3.31Å; E277-Q281 HydrophobicContact CG-CG 4.46Å; E277-Q281 VanDerWaalsContact O-CG 3.26Å; E277-Q281 WeakPolarHBondContact O-CG 3.44Å; E277-Q281 PolarHBondContact O-N 2.92Å; E277-Q281 PolarHBondContact OE1-NE2 3.43Å
278	L	98.1	Very high	97.7	Very high	28 Å²	28	68.9 Å²	68.9	15%	0.147	33%	0.327	C	S	.	.	H	α-helix	trans	-62.9	-38.9	178.6	-73.6	168.4	0	0	0	112.5	A274 L275 W280 Q281 K282 I372 D375 I376 K379	A274-L278 WeakPolarHBondContact O-CB 3.32Å; A274-L278 VanDerWaalsContact O-CG 3.24Å; A274-L278 WeakPolarHBondContact O-CG 3.27Å; A274-L278 PolarHBondContact O-N 3.38Å; L275-L278 PolarHBondContact O-N 3.48Å; L278-W280 VanDerWaalsContact C-N 3.33Å; L278-Q281 PolarHBondContact O-N 2.85Å; L278-K282 VanDerWaalsContact O-CB 3.31Å; L278-K282 WeakPolarHBondContact O-CB 3.48Å; L278-K282 PolarHBondContact O-N 2.98Å; L278-I372 HydrophobicContact CD2-CG2 4.31Å; L278-D375 HydrophobicContact CD1-CB 4.32Å; L278-D375 WeakPolarHBondContact CD1-OD2 3.43Å; L278-I376 HydrophobicContact CB-CD1 4.19Å; L278-I376 HydrophobicContact CB-CG1 3.63Å; L278-I376 HydrophobicContact CD1-CG1 4.24Å; L278-K379 HydrophobicContact CD1-CG 3.94Å
279	K	97.9	Very high	97.8	Very high	96 Å²	96	67.9 Å²	67.9	42%	0.417	32%	0.323	S	S	.	.	H	α-helix	trans	-65.5	-38.2	175.4	-76.1	172	179.8	173.1	0	111.4	L275 D276 E277 K283 I376 E380	L275-K279 WeakPolarHBondContact O-CB 3.36Å; L275-K279 VanDerWaalsContact O-CG 3.27Å; L275-K279 WeakPolarHBondContact O-CG 3.38Å; L275-K279 PolarHBondContact O-N 3.46Å; D276-K279 PolarHBondContact O-N 2.92Å; E277-K279 VanDerWaalsContact C-N 3.34Å; E277-K279 PolarHBondContact O-N 3.3Å; K279-K283 PolarHBondContact O-N 3.19Å; K279-K283 VanDerWaalsContact O-N 3.16Å; K279-I376 HydrophobicContact CG-CD1 4.33Å; K279-E380 IonicContact NZ-OE1 3.62Å
280	W	98.2	Very high	97.8	Very high	131 Å²	131	67.8 Å²	67.8	50%	0.496	33%	0.33	S	S	.	.	H	α-helix	trans	-64.4	-49.6	173.7	-177.8	80.3	0	0	0	111.6	D276 E277 L278 K282 K283 Q284	D276-W280 WeakPolarHBondContact O-CB 2.72Å; D276-W280 PolarHBondContact O-N 2.96Å; E277-W280 WeakPolarHBondContact O-CB 3.39Å; E277-W280 PolarHBondContact O-N 3.31Å; L278-W280 VanDerWaalsContact C-N 3.33Å; W280-K282 VanDerWaalsContact C-N 3.32Å; W280-K282 PolarHBondContact O-N 3.12Å; W280-K283 WeakPolarHBondContact O-CB 3.49Å; W280-K283 PolarHBondContact O-N 3.4Å; W280-K283 VanDerWaalsContact O-N 3.14Å; W280-Q284 HydrophobicContact CD2-CG 4.03Å; W280-Q284 HydrophobicContact CE3-CG 4.22Å; W280-Q284 HydrophobicContact CH2-CG 3.83Å; W280-Q284 HydrophobicContact CZ2-CG 3.62Å; W280-Q284 HydrophobicContact CZ3-CG 4.13Å; W280-Q284 WeakPolarHBondContact O-CG 3.41Å; W280-Q284 PolarHBondContact O-N 3.5Å
281	Q	98	Very high	97.8	Very high	69 Å²	69	70.3 Å²	70.3	32%	0.322	34%	0.34	S	S	.	.	H	α-helix	trans	-59.5	-41.7	177.2	-67.3	-71.4	-17	0	0	112.1	E277 L278 K283 Q284 I285 I372	E277-Q281 HydrophobicContact CG-CG 4.46Å; E277-Q281 VanDerWaalsContact O-CG 3.26Å; E277-Q281 WeakPolarHBondContact O-CG 3.44Å; E277-Q281 PolarHBondContact O-N 2.92Å; E277-Q281 PolarHBondContact OE1-NE2 3.43Å; L278-Q281 PolarHBondContact O-N 2.85Å; Q281-K283 VanDerWaalsContact C-N 3.33Å; Q281-K283 PolarHBondContact O-N 3.4Å; Q281-Q284 PolarHBondContact O-N 3.44Å; Q281-I285 WeakPolarHBondContact O-CG1 3.32Å; Q281-I285 PolarHBondContact O-N 2.66Å; Q281-I372 HydrophobicContact CB-CD1 3.99Å
282	K	98.2	Very high	97.8	Very high	59 Å²	59	71.5 Å²	71.5	26%	0.257	35%	0.346	S	S	.	.	H	α-helix	trans	-53.8	-52	173.8	174	177.4	175.4	165.9	0	110.8	L278 W280 Q284 I285 E286 L369 I372 N373 I376	L278-K282 VanDerWaalsContact O-CB 3.31Å; L278-K282 WeakPolarHBondContact O-CB 3.48Å; L278-K282 PolarHBondContact O-N 2.98Å; W280-K282 VanDerWaalsContact C-N 3.32Å; W280-K282 PolarHBondContact O-N 3.12Å; K282-Q284 VanDerWaalsContact C-N 3.35Å; K282-Q284 PolarHBondContact O-N 2.91Å; K282-I285 PolarHBondContact O-N 3.27Å; K282-E286 WeakPolarHBondContact CE-OE1 3.49Å; K282-E286 IonicContact NZ-OE1 2.69Å; K282-E286 WeakPolarHBondContact O-CG 3.46Å; K282-E286 PolarHBondContact O-N 3.03Å; K282-L369 HydrophobicContact CG-CD1 3.81Å; K282-I372 HydrophobicContact CB-CG2 3.91Å; K282-N373 WeakPolarHBondContact CD-OD1 3.5Å; K282-N373 VanDerWaalsContact CE-OD1 3.24Å; K282-N373 WeakPolarHBondContact CE-OD1 3.46Å; K282-N373 PolarHBondContact NZ-OD1 2.84Å; K282-I376 HydrophobicContact CB-CD1 4.21Å; K282-I376 HydrophobicContact CD-CD1 3.92Å
283	K	98.1	Very high	97.7	Very high	120 Å²	120	73.4 Å²	73.4	52%	0.522	36%	0.355	S	S	.	.	H	α-helix	trans	-59.6	-45	179.2	-178.5	179.3	177	-177.8	0	111.7	K279 W280 Q281 I285 E286 D287	K279-K283 PolarHBondContact O-N 3.19Å; K279-K283 VanDerWaalsContact O-N 3.16Å; W280-K283 WeakPolarHBondContact O-CB 3.49Å; W280-K283 PolarHBondContact O-N 3.4Å; W280-K283 VanDerWaalsContact O-N 3.14Å; Q281-K283 VanDerWaalsContact C-N 3.33Å; Q281-K283 PolarHBondContact O-N 3.4Å; K283-I285 VanDerWaalsContact C-N 3.3Å; K283-I285 PolarHBondContact O-N 2.83Å; K283-E286 PolarHBondContact O-N 2.63Å; K283-D287 VanDerWaalsContact O-CG 3.27Å; K283-D287 PolarHBondContact O-N 3.15Å
284	Q	98	Very high	97.7	Very high	80 Å²	80	71.8 Å²	71.8	37%	0.374	35%	0.35	S	S	.	.	H	α-helix	trans	-59.7	-40.1	178	-66.1	-56	-80.7	0	0	112.4	W280 Q281 K282 E288	W280-Q284 HydrophobicContact CD2-CG 4.03Å; W280-Q284 HydrophobicContact CE3-CG 4.22Å; W280-Q284 HydrophobicContact CH2-CG 3.83Å; W280-Q284 HydrophobicContact CZ2-CG 3.62Å; W280-Q284 HydrophobicContact CZ3-CG 4.13Å; W280-Q284 WeakPolarHBondContact O-CG 3.41Å; W280-Q284 PolarHBondContact O-N 3.5Å; Q281-Q284 PolarHBondContact O-N 3.44Å; K282-Q284 VanDerWaalsContact C-N 3.35Å; K282-Q284 PolarHBondContact O-N 2.91Å; Q284-E288 WeakPolarHBondContact O-CB 3.32Å; Q284-E288 PolarHBondContact O-N 3.37Å
285	I	97.7	Very high	97.7	Very high	20 Å²	20	74.2 Å²	74.2	10%	0.103	36%	0.358	C	S	.	.	H	α-helix	trans	-69.3	-39.6	176.4	-67.3	-175.2	0	0	0	111.5	Q281 K282 K283 D287 E288 M289 L365 Q368 L369 I372	Q281-I285 WeakPolarHBondContact O-CG1 3.32Å; Q281-I285 PolarHBondContact O-N 2.66Å; K282-I285 PolarHBondContact O-N 3.27Å; K283-I285 VanDerWaalsContact C-N 3.3Å; K283-I285 PolarHBondContact O-N 2.83Å; I285-D287 VanDerWaalsContact C-N 3.34Å; I285-E288 PolarHBondContact O-N 2.66Å; I285-M289 HydrophobicContact CG2-CG 4.21Å; I285-M289 HydrophobicContact CG2-SD 3.83Å; I285-M289 WeakPolarHBondContact O-CB 3.5Å; I285-M289 WeakPolarHBondContact O-CG 3.41Å; I285-M289 PolarHBondContact O-N 2.77Å; I285-L365 HydrophobicContact CG2-CB 4.28Å; I285-L365 HydrophobicContact CG2-CD2 4.39Å; I285-Q368 HydrophobicContact CD1-CB 4.14Å; I285-Q368 HydrophobicContact CD1-CG 3.57Å; I285-L369 HydrophobicContact CG2-CB 4Å; I285-L369 HydrophobicContact CG2-CD1 4.38Å; I285-I372 HydrophobicContact CD1-CD1 3.53Å
286	E	98.2	Very high	97.6	Very high	76 Å²	76	74.8 Å²	74.8	36%	0.355	36%	0.361	S	S	.	.	H	α-helix	trans	-63.4	-39.9	176.3	-72.7	172.8	163.4	0	0	111.9	K282 K283 M289 S290 L369	K282-E286 WeakPolarHBondContact CE-OE1 3.49Å; K282-E286 IonicContact NZ-OE1 2.69Å; K282-E286 WeakPolarHBondContact O-CG 3.46Å; K282-E286 PolarHBondContact O-N 3.03Å; K283-E286 PolarHBondContact O-N 2.63Å; E286-M289 PolarHBondContact O-N 3.1Å; E286-S290 PolarHBondContact O-N 3.05Å; E286-S290 VanDerWaalsContact O-N 3.07Å; E286-S290 PolarHBondContact O-OG 2.88Å; E286-L369 HydrophobicContact CG-CD1 3.93Å; E286-L369 HydrophobicContact CG-CD2 4.07Å
287	D	97.9	Very high	97.6	Very high	78 Å²	78	73.2 Å²	73.2	42%	0.417	35%	0.352	S	S	.	.	H	α-helix	trans	-64.4	-48.2	175.3	-68.1	-22.1	0	0	0	110.5	K283 I285 M289 S290 E291	K283-D287 VanDerWaalsContact O-CG 3.27Å; K283-D287 PolarHBondContact O-N 3.15Å; I285-D287 VanDerWaalsContact C-N 3.34Å; D287-M289 VanDerWaalsContact C-N 3.35Å; D287-M289 PolarHBondContact O-N 2.91Å; D287-S290 WeakPolarHBondContact O-CB 3.24Å; D287-S290 PolarHBondContact O-N 3Å; D287-S290 VanDerWaalsContact O-N 3.17Å; D287-E291 PolarHBondContact O-N 2.85Å; D287-E291 VanDerWaalsContact O-N 3.11Å
288	E	97.6	Very high	97.5	Very high	101 Å²	101	73 Å²	73	47%	0.472	35%	0.352	S	S	.	.	H	α-helix	trans	-63.6	-37.4	177.3	-174.1	68.6	-160.8	0	0	112.6	Q284 I285 S290 E291 M292 L365	Q284-E288 WeakPolarHBondContact O-CB 3.32Å; Q284-E288 PolarHBondContact O-N 3.37Å; I285-E288 PolarHBondContact O-N 2.66Å; E288-S290 VanDerWaalsContact C-N 3.32Å; E288-S290 PolarHBondContact O-N 3.08Å; E288-E291 PolarHBondContact O-N 3.39Å; E288-M292 WeakPolarHBondContact O-CB 3.25Å; E288-M292 PolarHBondContact O-N 2.96Å; E288-L365 HydrophobicContact CB-CD1 4.37Å; E288-L365 HydrophobicContact CG-CD1 3.78Å
289	M	97.6	Very high	97.4	Very high	15 Å²	15	73.3 Å²	73.3	7%	0.074	35%	0.353	C	S	.	.	H	α-helix	trans	-61.9	-41.9	174.1	-77.8	175.3	47.4	0	0	111.4	I285 E286 D287 M292 E293 L362 L365 H366 L369	I285-M289 HydrophobicContact CG2-CG 4.21Å; I285-M289 HydrophobicContact CG2-SD 3.83Å; I285-M289 WeakPolarHBondContact O-CB 3.5Å; I285-M289 WeakPolarHBondContact O-CG 3.41Å; I285-M289 PolarHBondContact O-N 2.77Å; E286-M289 PolarHBondContact O-N 3.1Å; D287-M289 VanDerWaalsContact C-N 3.35Å; D287-M289 PolarHBondContact O-N 2.91Å; M289-M292 PolarHBondContact O-N 3.38Å; M289-E293 WeakPolarHBondContact O-CB 3.3Å; M289-E293 WeakPolarHBondContact O-CG 3.44Å; M289-E293 PolarHBondContact O-N 3.31Å; M289-L362 HydrophobicContact CB-CD1 4.05Å; M289-L362 HydrophobicContact CG-CD1 3.91Å; M289-L365 HydrophobicContact CG-CB 3.62Å; M289-L365 HydrophobicContact CG-CD1 3.95Å; M289-L365 HydrophobicContact CG-CG 4.41Å; M289-L365 HydrophobicContact SD-CB 4.11Å; M289-H366 WeakPolarHBondContact CE-CD2 3.34Å; M289-H366 WeakPolarHBondContact CE-NE2 3.44Å; M289-L369 HydrophobicContact CE-CD2 4.01Å; M289-L369 HydrophobicContact SD-CB 4.24Å; M289-L369 HydrophobicContact SD-CD2 3.71Å
290	S	97.5	Very high	97.3	Very high	70 Å²	70	72.5 Å²	72.5	49%	0.49	35%	0.351	S	S	.	.	H	α-helix	trans	-63.9	-40.8	178.4	-58.5	0	0	0	0	111.9	E286 D287 E288 E293 N294	E286-S290 PolarHBondContact O-N 3.05Å; E286-S290 VanDerWaalsContact O-N 3.07Å; E286-S290 PolarHBondContact O-OG 2.88Å; D287-S290 WeakPolarHBondContact O-CB 3.24Å; D287-S290 PolarHBondContact O-N 3Å; D287-S290 VanDerWaalsContact O-N 3.17Å; E288-S290 VanDerWaalsContact C-N 3.32Å; E288-S290 PolarHBondContact O-N 3.08Å; S290-E293 PolarHBondContact O-N 3.39Å; S290-N294 PolarHBondContact O-N 2.9Å; S290-N294 VanDerWaalsContact O-N 3.08Å
291	E	97.6	Very high	97.2	Very high	113 Å²	113	71.7 Å²	71.7	53%	0.528	35%	0.351	S	S	.	.	H	α-helix	trans	-64.9	-44	174	-69.5	-63.9	167.9	0	0	111.7	D287 E288 E293 N294 D295	D287-E291 PolarHBondContact O-N 2.85Å; D287-E291 VanDerWaalsContact O-N 3.11Å; E288-E291 PolarHBondContact O-N 3.39Å; E291-E293 VanDerWaalsContact C-N 3.31Å; E291-E293 PolarHBondContact O-N 3.46Å; E291-N294 WeakPolarHBondContact O-CB 3.21Å; E291-N294 PolarHBondContact O-N 3.03Å; E291-D295 PolarHBondContact O-N 2.99Å
292	M	96	Very high	97.1	Very high	30 Å²	30	70.4 Å²	70.4	15%	0.148	35%	0.352	C	S	.	.	H	α-helix	trans	-64.2	-34.3	177.9	-168.9	66.4	56.9	0	0	112.6	E288 M289 L296 A358 A361 L362	E288-M292 WeakPolarHBondContact O-CB 3.25Å; E288-M292 PolarHBondContact O-N 2.96Å; M289-M292 PolarHBondContact O-N 3.38Å; M292-L296 WeakPolarHBondContact O-CB 3.48Å; M292-L296 VanDerWaalsContact O-CG 3.31Å; M292-L296 WeakPolarHBondContact O-CG 3.34Å; M292-L296 PolarHBondContact O-N 3.08Å; M292-A358 HydrophobicContact SD-CB 3.81Å; M292-A361 HydrophobicContact CE-CB 4.35Å; M292-L362 HydrophobicContact CB-CD1 4.22Å; M292-L362 HydrophobicContact CG-CB 3.82Å; M292-L362 HydrophobicContact CG-CD1 4.26Å; M292-L362 HydrophobicContact CG-CG 4.46Å
293	E	97.1	Very high	97	Very high	99 Å²	99	68.5 Å²	68.5	46%	0.463	34%	0.344	S	S	.	.	H	α-helix	trans	-67.5	-41.6	173.3	-75.8	176.8	173.5	0	0	112.1	M289 S290 E291 L296 D297 L362	M289-E293 WeakPolarHBondContact O-CB 3.3Å; M289-E293 WeakPolarHBondContact O-CG 3.44Å; M289-E293 PolarHBondContact O-N 3.31Å; S290-E293 PolarHBondContact O-N 3.39Å; E291-E293 VanDerWaalsContact C-N 3.31Å; E291-E293 PolarHBondContact O-N 3.46Å; E293-L296 PolarHBondContact O-N 3.37Å; E293-D297 PolarHBondContact O-N 3.11Å; E293-L362 HydrophobicContact CG-CD1 4.33Å; E293-L362 HydrophobicContact CG-CD2 3.78Å
294	N	97.1	Very high	96.9	Very high	74 Å²	74	67.9 Å²	67.9	40%	0.396	34%	0.343	S	S	.	.	H	α-helix	trans	-61.8	-47.4	173.3	-179.7	27.4	0	0	0	111	S290 E291 L296 D297 Q298	S290-N294 PolarHBondContact O-N 2.9Å; S290-N294 VanDerWaalsContact O-N 3.08Å; E291-N294 WeakPolarHBondContact O-CB 3.21Å; E291-N294 PolarHBondContact O-N 3.03Å; N294-L296 VanDerWaalsContact C-N 3.28Å; N294-L296 PolarHBondContact O-N 2.92Å; N294-D297 PolarHBondContact O-N 3.32Å; N294-D297 VanDerWaalsContact O-N 3.11Å; N294-Q298 WeakPolarHBondContact O-CG 3.47Å; N294-Q298 PolarHBondContact O-N 3.38Å; N294-Q298 PolarHBondContact OD1-NE2 2.85Å
295	D	96.3	Very high	96.7	Very high	87 Å²	87	65.9 Å²	65.9	47%	0.465	34%	0.344	S	S	.	.	H	α-helix	trans	-58.1	-40	175.8	-83.5	-15.5	0	0	0	112.1	E291 Q298 L299	E291-D295 PolarHBondContact O-N 2.99Å; D295-Q298 PolarHBondContact O-N 3.02Å; D295-L299 WeakPolarHBondContact O-CB 3.22Å; D295-L299 VanDerWaalsContact O-CG 3.26Å; D295-L299 WeakPolarHBondContact O-CG 3.46Å; D295-L299 PolarHBondContact O-N 3.2Å
296	L	96.9	Very high	96.5	Very high	19 Å²	19	66 Å²	66	10%	0.099	34%	0.344	C	S	.	.	H	α-helix	trans	-63.7	-41.7	174.9	-80.1	172.4	0	0	0	112.7	M292 E293 N294 L299 E300 Q355 A358 R359 L362	M292-L296 WeakPolarHBondContact O-CB 3.48Å; M292-L296 VanDerWaalsContact O-CG 3.31Å; M292-L296 WeakPolarHBondContact O-CG 3.34Å; M292-L296 PolarHBondContact O-N 3.08Å; E293-L296 PolarHBondContact O-N 3.37Å; N294-L296 VanDerWaalsContact C-N 3.28Å; N294-L296 PolarHBondContact O-N 2.92Å; L296-L299 PolarHBondContact O-N 2.96Å; L296-E300 WeakPolarHBondContact O-CB 3.42Å; L296-E300 PolarHBondContact O-N 2.96Å; L296-Q355 HydrophobicContact CD2-CG 3.92Å; L296-A358 HydrophobicContact CD2-CB 3.58Å; L296-A358 HydrophobicContact CG-CB 4.03Å; L296-R359 HydrophobicContact CD1-CG 3.99Å; L296-R359 HydrophobicContact CD2-CG 3.65Å; L296-L362 HydrophobicContact CD1-CD2 3.63Å
297	D	97	Very high	96.3	Very high	74 Å²	74	65.6 Å²	65.6	40%	0.396	34%	0.344	S	S	.	.	H	α-helix	trans	-64.6	-41	175.3	178.4	65.4	0	0	0	111.7	E293 N294 E300 K301	E293-D297 PolarHBondContact O-N 3.11Å; N294-D297 PolarHBondContact O-N 3.32Å; N294-D297 VanDerWaalsContact O-N 3.11Å; D297-E300 PolarHBondContact O-N 3.19Å; D297-K301 WeakPolarHBondContact O-CG 3.38Å; D297-K301 PolarHBondContact O-N 3.07Å; D297-K301 IonicContact OD1-NZ 3.67Å; D297-K301 WeakPolarHBondContact OD2-CE 3.21Å; D297-K301 IonicContact OD2-NZ 2.77Å; D297-K301 PolarHBondContact OD2-NZ 3.44Å
298	Q	96.9	Very high	96.2	Very high	95 Å²	95	65.7 Å²	65.7	44%	0.444	35%	0.349	S	S	.	.	H	α-helix	trans	-66	-40.5	175.1	-60.4	-56.5	-17.1	0	0	112.2	N294 D295 K301 A302	N294-Q298 WeakPolarHBondContact O-CG 3.47Å; N294-Q298 PolarHBondContact O-N 3.38Å; N294-Q298 PolarHBondContact OD1-NE2 2.85Å; D295-Q298 PolarHBondContact O-N 3.02Å; Q298-K301 PolarHBondContact O-N 2.88Å; Q298-A302 WeakPolarHBondContact O-CB 3.42Å; Q298-A302 PolarHBondContact O-N 3.44Å
299	L	96.3	Very high	96	Very high	33 Å²	33	65.5 Å²	65.5	17%	0.173	35%	0.349	C	S	.	.	H	α-helix	trans	-62.1	-43	174.1	-75.9	170.3	0	0	0	111.4	D295 L296 A302 I303 L351 K354 A358	D295-L299 WeakPolarHBondContact O-CB 3.22Å; D295-L299 VanDerWaalsContact O-CG 3.26Å; D295-L299 WeakPolarHBondContact O-CG 3.46Å; D295-L299 PolarHBondContact O-N 3.2Å; L296-L299 PolarHBondContact O-N 2.96Å; L299-A302 PolarHBondContact O-N 3.25Å; L299-I303 WeakPolarHBondContact O-CD1 3.28Å; L299-I303 VanDerWaalsContact O-CG1 3.29Å; L299-I303 WeakPolarHBondContact O-CG1 3.49Å; L299-I303 PolarHBondContact O-N 3.35Å; L299-L351 HydrophobicContact CD2-CD2 3.94Å; L299-K354 HydrophobicContact CD2-CB 4.41Å; L299-A358 HydrophobicContact CD1-CB 4.4Å
300	E	96.1	Very high	95.8	Very high	80 Å²	80	65.2 Å²	65.2	37%	0.374	35%	0.351	S	S	.	.	H	α-helix	trans	-60.4	-46.1	176.5	-165.2	106.5	-157.5	0	0	110.8	L296 D297 A302 I303 Q304 Q355 R359	L296-E300 WeakPolarHBondContact O-CB 3.42Å; L296-E300 PolarHBondContact O-N 2.96Å; D297-E300 PolarHBondContact O-N 3.19Å; E300-A302 PolarHBondContact O-N 3.38Å; E300-I303 PolarHBondContact O-N 2.91Å; E300-Q304 VanDerWaalsContact O-CG 3.3Å; E300-Q304 WeakPolarHBondContact O-CG 3.39Å; E300-Q304 PolarHBondContact O-N 2.78Å; E300-Q355 PolarHBondContact OE2-NE2 3.41Å; E300-R359 IonicContact OE2-NH2 2.67Å; E300-R359 PolarHBondContact OE2-NH2 3.02Å; E300-R359 VanDerWaalsContact OE2-NH2 3.16Å
301	K	96.1	Very high	95.7	Very high	113 Å²	113	68.2 Å²	68.2	49%	0.491	36%	0.355	S	S	.	.	H	α-helix	trans	-61.5	-42.6	174.8	-74.2	167.6	178.4	164.9	0	112.5	D297 Q298 Q304 G305	D297-K301 WeakPolarHBondContact O-CG 3.38Å; D297-K301 PolarHBondContact O-N 3.07Å; D297-K301 IonicContact OD1-NZ 3.67Å; D297-K301 WeakPolarHBondContact OD2-CE 3.21Å; D297-K301 IonicContact OD2-NZ 2.77Å; D297-K301 PolarHBondContact OD2-NZ 3.44Å; Q298-K301 PolarHBondContact O-N 2.88Å; K301-Q304 PolarHBondContact O-N 3.38Å; K301-G305 PolarHBondContact O-N 3.25Å
302	A	95.6	Very high	95.6	Very high	43 Å²	43	66.7 Å²	66.7	36%	0.355	35%	0.35	S	S	.	.	H	α-helix	trans	-62.2	-45	177.7	0	0	0	0	0	111.5	Q298 L299 E300 G305 L306 L351	Q298-A302 WeakPolarHBondContact O-CB 3.42Å; Q298-A302 PolarHBondContact O-N 3.44Å; L299-A302 PolarHBondContact O-N 3.25Å; E300-A302 PolarHBondContact O-N 3.38Å; A302-G305 PolarHBondContact O-N 2.9Å; A302-L306 PolarHBondContact O-N 3.46Å; A302-L351 HydrophobicContact CB-CD1 4.03Å
303	I	95.3	Very high	95.5	Very high	18 Å²	18	65.3 Å²	65.3	9%	0.092	34%	0.343	C	S	.	.	H	α-helix	trans	-60.6	-47.4	175.4	-69.1	162.6	0	0	0	110.6	L299 E300 G305 L306 L351 L352 Q355	L299-I303 WeakPolarHBondContact O-CD1 3.28Å; L299-I303 VanDerWaalsContact O-CG1 3.29Å; L299-I303 WeakPolarHBondContact O-CG1 3.49Å; L299-I303 PolarHBondContact O-N 3.35Å; E300-I303 PolarHBondContact O-N 2.91Å; I303-G305 VanDerWaalsContact C-N 3.27Å; I303-G305 PolarHBondContact O-N 3.43Å; I303-L306 PolarHBondContact O-N 3.49Å; I303-L306 VanDerWaalsContact O-N 3.15Å; I303-L351 HydrophobicContact CD1-CB 4.23Å; I303-L351 HydrophobicContact CG1-CB 3.74Å; I303-L351 HydrophobicContact CG1-CD1 4.21Å; I303-L352 HydrophobicContact CD1-CD2 3.89Å; I303-L352 HydrophobicContact CD1-CG 4.27Å; I303-Q355 HydrophobicContact CD1-CB 4.38Å
304	Q	95	Very high	95.4	Very high	108 Å²	108	65.3 Å²	65.3	51%	0.505	34%	0.343	S	S	.	.	H	α-helix	trans	-61.1	-36.4	176.9	-70.3	-67	-22.2	0	0	112.3	E300 K301 L306 I307 P308	E300-Q304 VanDerWaalsContact O-CG 3.3Å; E300-Q304 WeakPolarHBondContact O-CG 3.39Å; E300-Q304 PolarHBondContact O-N 2.78Å; K301-Q304 PolarHBondContact O-N 3.38Å; Q304-L306 VanDerWaalsContact C-N 3.31Å; Q304-L306 PolarHBondContact O-N 2.93Å; Q304-I307 WeakPolarHBondContact O-CB 3.46Å; Q304-I307 PolarHBondContact O-N 2.98Å; Q304-P308 WeakPolarHBondContact O-CD 3.39Å
305	G	95.2	Very high	95.3	Very high	37 Å²	37	64.9 Å²	64.9	38%	0.381	34%	0.343	S	S	.	.	H	α-helix	trans	-65	-29.1	176.1	0	0	0	0	0	114.2	K301 A302 I303 P308	K301-G305 PolarHBondContact O-N 3.25Å; A302-G305 PolarHBondContact O-N 2.9Å; I303-G305 VanDerWaalsContact C-N 3.27Å; I303-G305 PolarHBondContact O-N 3.43Å; G305-P308 WeakPolarHBondContact O-CD 3.39Å; G305-P308 WeakPolarHBondContact O-CG 3.28Å
306	L	94	Very high	95.3	Very high	22 Å²	22	66.5 Å²	66.5	12%	0.115	34%	0.343	C	S	.	.	H	α-helix	trans	-71.8	-28.4	175.8	-67.8	-177.8	0	0	0	112.8	A302 I303 Q304 M309 G310 I344 T347 N348 L351	A302-L306 PolarHBondContact O-N 3.46Å; I303-L306 PolarHBondContact O-N 3.49Å; I303-L306 VanDerWaalsContact O-N 3.15Å; Q304-L306 VanDerWaalsContact C-N 3.31Å; Q304-L306 PolarHBondContact O-N 2.93Å; L306-M309 HydrophobicContact CD2-CE 3.54Å; L306-M309 PolarHBondContact O-N 3.18Å; L306-G310 PolarHBondContact O-N 3.19Å; L306-I344 HydrophobicContact CB-CG2 4.45Å; L306-T347 HydrophobicContact CD1-CG2 4.12Å; L306-N348 HydrophobicContact CD1-CB 3.88Å; L306-L351 HydrophobicContact CD1-CD1 3.71Å; L306-L351 HydrophobicContact CG-CD1 4.47Å
307	I	93.4	Very high	95.1	Very high	69 Å²	69	66.9 Å²	66.9	35%	0.354	35%	0.345	S	S	.	.	H	α-helix	trans	-57.2	-53.7	-176.9	-60.2	176.4	0	0	0	113.1	Q304 M309 G310 K311	Q304-I307 WeakPolarHBondContact O-CB 3.46Å; Q304-I307 PolarHBondContact O-N 2.98Å; I307-M309 VanDerWaalsContact C-N 3.31Å; I307-M309 PolarHBondContact O-N 3.04Å; I307-G310 PolarHBondContact O-N 3.16Å; I307-K311 HydrophobicContact CG2-CD 4.13Å; I307-K311 WeakPolarHBondContact O-CB 3.36Å; I307-K311 WeakPolarHBondContact O-CG 3.37Å; I307-K311 PolarHBondContact O-N 3.18Å
308	P	95.5	Very high	95	Very high	80 Å²	80	68.2 Å²	68.2	52%	0.519	35%	0.349	S	S	.	.	H	α-helix	trans	-64.5	-34.8	179.1	24.6	-34.1	0	0	0	112.5	Q304 G305 K311 L312	Q304-P308 WeakPolarHBondContact O-CD 3.39Å; G305-P308 WeakPolarHBondContact O-CD 3.39Å; G305-P308 WeakPolarHBondContact O-CG 3.28Å; P308-K311 PolarHBondContact O-N 2.88Å; P308-L312 WeakPolarHBondContact O-CB 3.39Å; P308-L312 PolarHBondContact O-N 3.28Å
309	M	93.2	Very high	94.8	Very high	96 Å²	96	72 Å²	72	47%	0.473	36%	0.359	S	S	.	.	H	α-helix	trans	-66.2	-46.3	176.8	-63.3	-163	-68.3	0	0	111.3	L306 I307 K311 L312 A313 I344	L306-M309 HydrophobicContact CD2-CE 3.54Å; L306-M309 PolarHBondContact O-N 3.18Å; I307-M309 VanDerWaalsContact C-N 3.31Å; I307-M309 PolarHBondContact O-N 3.04Å; M309-K311 PolarHBondContact O-N 3.04Å; M309-L312 WeakPolarHBondContact O-CB 3.37Å; M309-L312 PolarHBondContact O-N 3.35Å; M309-A313 PolarHBondContact O-N 3.47Å; M309-I344 HydrophobicContact CB-CD1 4.2Å
310	G	94.2	Very high	94.6	Very high	10 Å²	10	72.7 Å²	72.7	10%	0.103	36%	0.359	C	S	.	.	H	α-helix	trans	-60.1	-45.8	174.6	0	0	0	0	0	112.1	L306 I307 L312 A313 Q314	L306-G310 PolarHBondContact O-N 3.19Å; I307-G310 PolarHBondContact O-N 3.16Å; G310-L312 VanDerWaalsContact C-N 3.31Å; G310-L312 PolarHBondContact O-N 2.97Å; G310-A313 PolarHBondContact O-N 3.5Å; G310-Q314 WeakPolarHBondContact O-CB 3.49Å; G310-Q314 WeakPolarHBondContact O-CG 3.22Å; G310-Q314 PolarHBondContact O-N 3.29Å
311	K	94.9	Very high	94.4	Very high	133 Å²	133	72.2 Å²	72.2	58%	0.578	36%	0.362	S	S	*	.	H	α-helix	trans	-58.3	-41.8	174.9	-76.5	177.9	179.5	177.6	0	112.2	I307 P308 M309 T315	I307-K311 HydrophobicContact CG2-CD 4.13Å; I307-K311 WeakPolarHBondContact O-CB 3.36Å; I307-K311 WeakPolarHBondContact O-CG 3.37Å; I307-K311 PolarHBondContact O-N 3.18Å; P308-K311 PolarHBondContact O-N 2.88Å; M309-K311 PolarHBondContact O-N 3.04Å; K311-T315 VanDerWaalsContact O-CB 3.22Å; K311-T315 WeakPolarHBondContact O-CB 3.38Å; K311-T315 PolarHBondContact O-N 3.07Å; K311-T315 PolarHBondContact O-OG1 3.43Å
312	L	95.9	Very high	94.3	Very high	81 Å²	81	74.4 Å²	74.4	42%	0.424	37%	0.368	S	S	.	.	H	α-helix	trans	-64.6	-49.7	179	178.5	61.8	0	0	0	111.4	P308 M309 G310 T315 R316	P308-L312 WeakPolarHBondContact O-CB 3.39Å; P308-L312 PolarHBondContact O-N 3.28Å; M309-L312 WeakPolarHBondContact O-CB 3.37Å; M309-L312 PolarHBondContact O-N 3.35Å; G310-L312 VanDerWaalsContact C-N 3.31Å; G310-L312 PolarHBondContact O-N 2.97Å; L312-T315 PolarHBondContact O-N 3.4Å; L312-R316 HydrophobicContact CD1-CG 4.35Å; L312-R316 WeakPolarHBondContact O-CB 3.33Å; L312-R316 VanDerWaalsContact O-CG 3.27Å; L312-R316 WeakPolarHBondContact O-CG 3.32Å; L312-R316 PolarHBondContact O-N 3.33Å
313	A	94	Very high	94	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-61.5	-46.2	179.4	0	0	0	0	0	111.5	M309 G310 R316 L317 E340 V341 I344	M309-A313 PolarHBondContact O-N 3.47Å; G310-A313 PolarHBondContact O-N 3.5Å; A313-R316 PolarHBondContact O-N 3Å; A313-L317 PolarHBondContact O-N 2.93Å; A313-E340 HydrophobicContact CB-CG 4.09Å; A313-V341 HydrophobicContact CB-CG2 3.66Å; A313-I344 HydrophobicContact CB-CD1 4.39Å
314	Q	94.9	Very high	93.7	Very high	100 Å²	100	79 Å²	79	47%	0.467	39%	0.388	S	S	.	.	H	α-helix	trans	-63.4	-43.8	176	-71.1	179.5	4.1	0	0	112.4	G310 R316 L317 E318 V341	G310-Q314 WeakPolarHBondContact O-CB 3.49Å; G310-Q314 WeakPolarHBondContact O-CG 3.22Å; G310-Q314 PolarHBondContact O-N 3.29Å; Q314-R316 VanDerWaalsContact C-N 3.31Å; Q314-R316 PolarHBondContact O-N 3.32Å; Q314-L317 WeakPolarHBondContact O-CB 3.48Å; Q314-L317 PolarHBondContact O-N 3.37Å; Q314-E318 WeakPolarHBondContact O-CB 3.5Å; Q314-E318 PolarHBondContact O-N 2.95Å; Q314-V341 HydrophobicContact CG-CG1 4.16Å; Q314-V341 HydrophobicContact CG-CG2 3.87Å
315	T	95.2	Very high	93.4	Very high	65 Å²	65	77 Å²	77	40%	0.399	40%	0.398	S	S	.	.	H	α-helix	trans	-63.3	-39	177.3	-59.1	0	0	0	0	111.4	K311 L312 E318 R319	K311-T315 VanDerWaalsContact O-CB 3.22Å; K311-T315 WeakPolarHBondContact O-CB 3.38Å; K311-T315 PolarHBondContact O-N 3.07Å; K311-T315 PolarHBondContact O-OG1 3.43Å; L312-T315 PolarHBondContact O-N 3.4Å; T315-E318 PolarHBondContact O-N 3.28Å; T315-R319 HydrophobicContact CG2-CG 4.39Å; T315-R319 WeakPolarHBondContact O-CB 3.42Å; T315-R319 WeakPolarHBondContact O-CG 3.38Å; T315-R319 PolarHBondContact O-N 3.39Å
316	R	95	Very high	93	Very high	120 Å²	120	81.5 Å²	81.5	45%	0.453	42%	0.417	S	S	.	.	H	α-helix	trans	-63	-43.9	175	-76.3	170.9	172	168.8	-1.7	111	L312 A313 Q314 R320 L337	L312-R316 HydrophobicContact CD1-CG 4.35Å; L312-R316 WeakPolarHBondContact O-CB 3.33Å; L312-R316 VanDerWaalsContact O-CG 3.27Å; L312-R316 WeakPolarHBondContact O-CG 3.32Å; L312-R316 PolarHBondContact O-N 3.33Å; A313-R316 PolarHBondContact O-N 3Å; Q314-R316 VanDerWaalsContact C-N 3.31Å; Q314-R316 PolarHBondContact O-N 3.32Å; R316-R320 VanDerWaalsContact O-CG 3.31Å; R316-R320 WeakPolarHBondContact O-CG 3.21Å; R316-R320 PolarHBondContact O-N 2.93Å; R316-L337 HydrophobicContact CB-CD1 3.95Å; R316-L337 HydrophobicContact CB-CD2 4.07Å
317	L	93.4	Very high	92.7	Very high	27 Å²	27	86.4 Å²	86.4	14%	0.141	44%	0.44	C	S	.	.	H	α-helix	trans	-61.2	-48.5	174.2	-82.6	162.4	0	0	0	112.2	A313 Q314 R319 R320 Q334 L337 V341	A313-L317 PolarHBondContact O-N 2.93Å; Q314-L317 WeakPolarHBondContact O-CB 3.48Å; Q314-L317 PolarHBondContact O-N 3.37Å; L317-R319 PolarHBondContact O-N 3.01Å; L317-R320 WeakPolarHBondContact O-CB 3.46Å; L317-R320 PolarHBondContact O-N 2.96Å; L317-R320 VanDerWaalsContact O-N 3.16Å; L317-Q334 VanDerWaalsContact CD2-NE2 3.28Å; L317-L337 HydrophobicContact CD1-CB 4.18Å; L317-L337 HydrophobicContact CD2-CB 3.71Å; L317-L337 HydrophobicContact CD2-CD1 4.47Å; L317-L337 HydrophobicContact CG-CB 3.68Å; L317-L337 HydrophobicContact CG-CD1 4.39Å; L317-V341 HydrophobicContact CD1-CB 4.33Å; L317-V341 HydrophobicContact CD1-CG2 3.54Å
318	E	94.7	Very high	92.4	Very high	102 Å²	102	87.8 Å²	87.8	48%	0.477	45%	0.447	S	S	.	.	H	α-helix	trans	-60.2	-48.5	-178.8	-178.7	62	-168	0	0	111.1	Q314 T315 R320 T321	Q314-E318 WeakPolarHBondContact O-CB 3.5Å; Q314-E318 PolarHBondContact O-N 2.95Å; T315-E318 PolarHBondContact O-N 3.28Å; E318-R320 PolarHBondContact O-N 3.4Å; E318-R320 VanDerWaalsContact O-N 3.16Å; E318-T321 VanDerWaalsContact O-CB 3.32Å; E318-T321 WeakPolarHBondContact O-CB 3.45Å; E318-T321 WeakPolarHBondContact O-CG2 3.47Å; E318-T321 PolarHBondContact O-N 2.74Å; E318-T321 PolarHBondContact O-OG1 3.08Å
319	R	93.3	Very high	91.9	Very high	175 Å²	175	86.5 Å²	86.5	66%	0.66	44%	0.44	S	S	*	.	H	α-helix	trans	-62.4	-26.6	179.5	-74	-176.5	-179.8	-171.1	1.2	113.2	T315 L317 T321 Y322	T315-R319 HydrophobicContact CG2-CG 4.39Å; T315-R319 WeakPolarHBondContact O-CB 3.42Å; T315-R319 WeakPolarHBondContact O-CG 3.38Å; T315-R319 PolarHBondContact O-N 3.39Å; L317-R319 PolarHBondContact O-N 3.01Å; R319-T321 PolarHBondContact O-N 2.85Å; R319-Y322 HydrophobicContact CB-CD2 4.38Å; R319-Y322 HydrophobicContact CB-CE2 4.45Å; R319-Y322 HydrophobicContact CG-CD2 4.48Å; R319-Y322 HydrophobicContact CG-CE2 4.16Å; R319-Y322 WeakPolarHBondContact O-CD2 3.38Å; R319-Y322 PolarHBondContact O-N 3.1Å
320	R	92.7	Very high	91.7	Very high	47 Å²	47	91.5 Å²	91.5	18%	0.177	45%	0.453	C	S	.	.	H	α-helix	trans	-73.2	-14.4	175.6	-74.1	-172	110.1	-138.1	3.5	113.4	R316 L317 E318 R323 D331 Q334	R316-R320 VanDerWaalsContact O-CG 3.31Å; R316-R320 WeakPolarHBondContact O-CG 3.21Å; R316-R320 PolarHBondContact O-N 2.93Å; L317-R320 WeakPolarHBondContact O-CB 3.46Å; L317-R320 PolarHBondContact O-N 2.96Å; L317-R320 VanDerWaalsContact O-N 3.16Å; E318-R320 PolarHBondContact O-N 3.4Å; E318-R320 VanDerWaalsContact O-N 3.16Å; R320-R323 VanDerWaalsContact NH2-NH1 3.11Å; R320-R323 WeakPolarHBondContact O-CG 3.4Å; R320-R323 PolarHBondContact O-NE 3.36Å; R320-D331 IonicContact CZ-OD1 3.2Å; R320-D331 IonicContact CZ-OD2 2.97Å; R320-D331 IonicContact NH1-OD1 3.02Å; R320-D331 PolarHBondContact NH1-OD1 2.83Å; R320-D331 IonicContact NH1-OD2 3.55Å; R320-D331 PolarHBondContact NH1-OD2 3Å; R320-D331 IonicContact NH2-OD1 3.69Å; R320-D331 PolarHBondContact NH2-OD1 3.28Å; R320-D331 IonicContact NH2-OD2 2.89Å; R320-D331 PolarHBondContact NH2-OD2 3.08Å; R320-Q334 VanDerWaalsContact NH1-N 3.13Å
321	T	91.7	Very high	91.5	Very high	71 Å²	71	93.1 Å²	93.1	44%	0.436	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-19.7	173.4	72.4	0	0	0	0	112.5	E318 R319 R323 L328	E318-T321 VanDerWaalsContact O-CB 3.32Å; E318-T321 WeakPolarHBondContact O-CB 3.45Å; E318-T321 WeakPolarHBondContact O-CG2 3.47Å; E318-T321 PolarHBondContact O-N 2.74Å; E318-T321 PolarHBondContact O-OG1 3.08Å; R319-T321 PolarHBondContact O-N 2.85Å; T321-R323 PolarHBondContact O-N 2.63Å; T321-L328 WeakPolarHBondContact O-CD1 3.31Å
322	Y	92.7	Very high	91.4	Very high	158 Å²	158	91.4 Å²	91.4	62%	0.62	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	1.6	179.3	-51.1	-36.5	0	0	0	114.3	R319	R319-Y322 HydrophobicContact CB-CD2 4.38Å; R319-Y322 HydrophobicContact CB-CE2 4.45Å; R319-Y322 HydrophobicContact CG-CD2 4.48Å; R319-Y322 HydrophobicContact CG-CE2 4.16Å; R319-Y322 WeakPolarHBondContact O-CD2 3.38Å; R319-Y322 PolarHBondContact O-N 3.1Å
323	R	89.9	Confident	91.3	Very high	53 Å²	53	91 Å²	91	20%	0.2	47%	0.465	C	S	.	.			trans	-69	128.5	178.6	-69.5	-177.6	-74.7	168.3	-0.6	110.1	R320 T321 E327 L328 C329 D331	R320-R323 VanDerWaalsContact NH2-NH1 3.11Å; R320-R323 WeakPolarHBondContact O-CG 3.4Å; R320-R323 PolarHBondContact O-NE 3.36Å; T321-R323 PolarHBondContact O-N 2.63Å; R323-E327 PolarHBondContact NH1-O 3.26Å; R323-L328 HydrophobicContact CB-CD1 4.14Å; R323-C329 PolarHBondContact NH2-O 3Å; R323-D331 IonicContact NH1-OD2 3.95Å; R323-D331 PolarHBondContact NH1-OD2 3.38Å
324	P	88.8	Confident	91.2	Very high	104 Å²	104	92.9 Å²	92.9	68%	0.675	47%	0.474	S	S	*	.			trans	-82.4	142.5	-175.7	30.9	-33.8	0	0	0	113	E327	P324-E327 WeakPolarHBondContact O-CB 3.28Å; P324-E327 PolarHBondContact O-N 3.42Å
325	G	88.3	Confident	91.2	Very high	68 Å²	68	94.3 Å²	94.3	70%	0.701	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	62.8	-134.2	167.6	0	0	0	0	0	114.4	E327 L328	G325-E327 PolarHBondContact O-N 3.06Å; G325-L328 WeakPolarHBondContact O-CB 3.34Å; G325-L328 PolarHBondContact O-N 3.05Å
326	V	87.3	Confident	91.1	Very high	131 Å²	131	93.1 Å²	93.1	79%	0.794	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-67.7	-20.9	-176.9	76	0	0	0	0	113.2	L328	V326-L328 PolarHBondContact O-N 3.36Å
327	E	88	Confident	91.1	Very high	125 Å²	125	88 Å²	88	58%	0.584	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-69.4	-10.5	175.6	-59.3	-59.8	150.2	0	0	112.6	R323 P324 G325 C329	R323-E327 PolarHBondContact NH1-O 3.26Å; P324-E327 WeakPolarHBondContact O-CB 3.28Å; P324-E327 PolarHBondContact O-N 3.42Å; G325-E327 PolarHBondContact O-N 3.06Å; E327-C329 PolarHBondContact O-N 3.17Å
328	L	87.6	Confident	91.2	Very high	97 Å²	97	88.8 Å²	88.8	51%	0.508	46%	0.464	S	S	.	.			trans	-76.4	57.4	170.1	-165.7	66.5	0	0	0	111.2	T321 R323 G325 V326	T321-L328 WeakPolarHBondContact O-CD1 3.31Å; R323-L328 HydrophobicContact CB-CD1 4.14Å; G325-L328 WeakPolarHBondContact O-CB 3.34Å; G325-L328 PolarHBondContact O-N 3.05Å; V326-L328 PolarHBondContact O-N 3.36Å
329	C	84.4	Confident	91.2	Very high	54 Å²	54	87.9 Å²	87.9	37%	0.365	46%	0.463	S	S	.	.			trans	-95.7	147.8	-176.4	69.4	0	0	0	0	112.4	R323 E327 D331	R323-C329 PolarHBondContact NH2-O 3Å; E327-C329 PolarHBondContact O-N 3.17Å; C329-D331 PolarHBondContact O-N 3.35Å
330	R	88.2	Confident	91.3	Very high	201 Å²	201	83 Å²	83	76%	0.758	45%	0.447	S	S	*	.			trans	-86.7	80.1	168.5	-71	-174.8	171.5	151.5	-1.5	109.6	Q334 Y335	R330-Q334 HydrophobicContact CG-CG 4.39Å; R330-Y335 HydrophobicContact CB-CE2 4.36Å; R330-Y335 VanDerWaalsContact O-CE2 3.29Å; R330-Y335 WeakPolarHBondContact O-CE2 3.44Å
331	D	91	Very high	91.4	Very high	43 Å²	43	81.6 Å²	81.6	23%	0.23	44%	0.444	C	S	.	.			trans	-88.8	-179.3	178.3	58.6	22.2	0	0	0	112.5	R320 R323 C329 V333 Q334 Y335	R320-D331 IonicContact CZ-OD1 3.2Å; R320-D331 IonicContact CZ-OD2 2.97Å; R320-D331 IonicContact NH1-OD1 3.02Å; R320-D331 PolarHBondContact NH1-OD1 2.83Å; R320-D331 IonicContact NH1-OD2 3.55Å; R320-D331 PolarHBondContact NH1-OD2 3Å; R320-D331 IonicContact NH2-OD1 3.69Å; R320-D331 PolarHBondContact NH2-OD1 3.28Å; R320-D331 IonicContact NH2-OD2 2.89Å; R320-D331 PolarHBondContact NH2-OD2 3.08Å; R323-D331 IonicContact NH1-OD2 3.95Å; R323-D331 PolarHBondContact NH1-OD2 3.38Å; C329-D331 PolarHBondContact O-N 3.35Å; D331-V333 PolarHBondContact O-N 3.35Å; D331-V333 PolarHBondContact OD1-N 2.72Å; D331-Q334 WeakPolarHBondContact O-CB 3.35Å; D331-Q334 PolarHBondContact O-N 3.45Å; D331-Q334 PolarHBondContact OD1-N 2.95Å; D331-Y335 WeakPolarHBondContact O-CD2 3.38Å; D331-Y335 PolarHBondContact O-N 3.41Å
332	S	93.2	Very high	91.6	Very high	98 Å²	98	85.4 Å²	85.4	69%	0.685	45%	0.45	S	S	*	.	H	α-helix	trans	-55	-37.2	177.8	53.3	0	0	0	0	113.2	Y335 G336	S332-Y335 PolarHBondContact O-N 3.27Å; S332-G336 PolarHBondContact O-N 3.25Å
333	V	92.3	Very high	91.7	Very high	73 Å²	73	83.7 Å²	83.7	44%	0.442	45%	0.448	S	S	.	.	H	α-helix	trans	-68.7	-36.5	178.3	179.9	0	0	0	0	110.9	D331 G336 L337	D331-V333 PolarHBondContact O-N 3.35Å; D331-V333 PolarHBondContact OD1-N 2.72Å; V333-G336 PolarHBondContact O-N 3.38Å; V333-L337 HydrophobicContact CG1-CD1 3.95Å; V333-L337 HydrophobicContact CG1-CG 4.28Å; V333-L337 WeakPolarHBondContact O-CB 2.87Å; V333-L337 WeakPolarHBondContact O-CG 3.46Å; V333-L337 PolarHBondContact O-N 3.19Å
334	Q	92.6	Very high	92	Very high	39 Å²	39	82.4 Å²	82.4	18%	0.182	45%	0.445	C	S	.	.	H	α-helix	trans	-62.8	-46.1	175.9	-173.2	66.9	26	0	0	111	L317 R320 R330 D331 T338	L317-Q334 VanDerWaalsContact CD2-NE2 3.28Å; R320-Q334 VanDerWaalsContact NH1-N 3.13Å; R330-Q334 HydrophobicContact CG-CG 4.39Å; D331-Q334 WeakPolarHBondContact O-CB 3.35Å; D331-Q334 PolarHBondContact O-N 3.45Å; D331-Q334 PolarHBondContact OD1-N 2.95Å; Q334-T338 WeakPolarHBondContact O-CB 3.49Å; Q334-T338 PolarHBondContact O-N 3.45Å; Q334-T338 VanDerWaalsContact O-N 3.11Å; Q334-T338 PolarHBondContact O-OG1 3.42Å
335	Y	94.4	Very high	92.3	Very high	129 Å²	129	82.5 Å²	82.5	51%	0.506	44%	0.436	S	S	.	.	H	α-helix	trans	-64.3	-48.2	176.9	-64.1	-65.8	0	0	0	111.2	R330 D331 S332 L337 T338 D339	R330-Y335 HydrophobicContact CB-CE2 4.36Å; R330-Y335 VanDerWaalsContact O-CE2 3.29Å; R330-Y335 WeakPolarHBondContact O-CE2 3.44Å; D331-Y335 WeakPolarHBondContact O-CD2 3.38Å; D331-Y335 PolarHBondContact O-N 3.41Å; S332-Y335 PolarHBondContact O-N 3.27Å; Y335-L337 PolarHBondContact O-N 2.64Å; Y335-T338 WeakPolarHBondContact O-CB 3.3Å; Y335-T338 PolarHBondContact O-N 2.97Å; Y335-T338 VanDerWaalsContact O-N 3.1Å; Y335-D339 PolarHBondContact O-N 2.94Å
336	G	94.9	Very high	92.7	Very high	40 Å²	40	83.3 Å²	83.3	41%	0.412	43%	0.427	S	S	.	.	H	α-helix	trans	-58.4	-44.8	179.9	0	0	0	0	0	113.6	S332 V333 D339 E340	S332-G336 PolarHBondContact O-N 3.25Å; V333-G336 PolarHBondContact O-N 3.38Å; G336-D339 PolarHBondContact O-N 2.97Å; G336-E340 WeakPolarHBondContact O-CB 3.37Å; G336-E340 PolarHBondContact O-N 3.04Å
337	L	94.2	Very high	93.1	Very high	14 Å²	14	80.1 Å²	80.1	7%	0.073	41%	0.408	C	S	.	.	H	α-helix	trans	-67.9	-35.4	176.4	-69.8	170.5	0	0	0	112.4	R316 L317 V333 Y335 D339 E340 V341	R316-L337 HydrophobicContact CB-CD1 3.95Å; R316-L337 HydrophobicContact CB-CD2 4.07Å; L317-L337 HydrophobicContact CD1-CB 4.18Å; L317-L337 HydrophobicContact CD2-CB 3.71Å; L317-L337 HydrophobicContact CD2-CD1 4.47Å; L317-L337 HydrophobicContact CG-CB 3.68Å; L317-L337 HydrophobicContact CG-CD1 4.39Å; V333-L337 HydrophobicContact CG1-CD1 3.95Å; V333-L337 HydrophobicContact CG1-CG 4.28Å; V333-L337 WeakPolarHBondContact O-CB 2.87Å; V333-L337 WeakPolarHBondContact O-CG 3.46Å; V333-L337 PolarHBondContact O-N 3.19Å; Y335-L337 PolarHBondContact O-N 2.64Å; L337-D339 VanDerWaalsContact C-N 3.35Å; L337-E340 WeakPolarHBondContact CD2-OE2 3.42Å; L337-E340 PolarHBondContact O-N 2.97Å; L337-V341 PolarHBondContact O-N 3.39Å
338	T	95.1	Very high	93.4	Very high	42 Å²	42	76.5 Å²	76.5	26%	0.258	39%	0.393	S	S	.	.	H	α-helix	trans	-65.4	-42.4	176.8	-55.8	0	0	0	0	110.6	Q334 Y335 V341 R342	Q334-T338 WeakPolarHBondContact O-CB 3.49Å; Q334-T338 PolarHBondContact O-N 3.45Å; Q334-T338 VanDerWaalsContact O-N 3.11Å; Q334-T338 PolarHBondContact O-OG1 3.42Å; Y335-T338 WeakPolarHBondContact O-CB 3.3Å; Y335-T338 PolarHBondContact O-N 2.97Å; Y335-T338 VanDerWaalsContact O-N 3.1Å; T338-V341 PolarHBondContact O-N 3.44Å; T338-R342 WeakPolarHBondContact O-CG 3.47Å; T338-R342 PolarHBondContact O-N 2.87Å; T338-R342 VanDerWaalsContact O-N 3.12Å
339	D	94.8	Very high	93.8	Very high	84 Å²	84	78.1 Å²	78.1	45%	0.449	40%	0.398	S	S	.	.	H	α-helix	trans	-67.1	-40	175.4	-69.3	-21.8	0	0	0	111.2	Y335 G336 L337 V341 R342 Q343	Y335-D339 PolarHBondContact O-N 2.94Å; G336-D339 PolarHBondContact O-N 2.97Å; L337-D339 VanDerWaalsContact C-N 3.35Å; D339-V341 PolarHBondContact O-N 3.28Å; D339-R342 PolarHBondContact O-N 3.44Å; D339-Q343 WeakPolarHBondContact O-CB 3.29Å; D339-Q343 VanDerWaalsContact O-CG 3.29Å; D339-Q343 WeakPolarHBondContact O-CG 3.46Å; D339-Q343 PolarHBondContact O-N 3.5Å
340	E	95.5	Very high	94.4	Very high	72 Å²	72	78.2 Å²	78.2	34%	0.336	40%	0.402	S	S	.	.	H	α-helix	trans	-56.6	-48.2	174.5	-175.3	-179	-175.7	0	0	111.4	A313 G336 L337 R342 Q343 I344	A313-E340 HydrophobicContact CB-CG 4.09Å; G336-E340 WeakPolarHBondContact O-CB 3.37Å; G336-E340 PolarHBondContact O-N 3.04Å; L337-E340 WeakPolarHBondContact CD2-OE2 3.42Å; L337-E340 PolarHBondContact O-N 2.97Å; E340-R342 PolarHBondContact O-N 3.34Å; E340-Q343 PolarHBondContact O-N 2.88Å; E340-I344 HydrophobicContact CG-CD1 3.97Å; E340-I344 VanDerWaalsContact O-CG1 3.27Å; E340-I344 WeakPolarHBondContact O-CG1 3.33Å; E340-I344 PolarHBondContact O-N 3.38Å
341	V	95.5	Very high	94.8	Very high	17 Å²	17	70.4 Å²	70.4	10%	0.103	38%	0.376	C	S	.	.	H	α-helix	trans	-60.5	-47.1	176.5	171.3	0	0	0	0	111.4	A313 Q314 L317 L337 T338 D339 Q343 I344 E345	A313-V341 HydrophobicContact CB-CG2 3.66Å; Q314-V341 HydrophobicContact CG-CG1 4.16Å; Q314-V341 HydrophobicContact CG-CG2 3.87Å; L317-V341 HydrophobicContact CD1-CB 4.33Å; L317-V341 HydrophobicContact CD1-CG2 3.54Å; L337-V341 PolarHBondContact O-N 3.39Å; T338-V341 PolarHBondContact O-N 3.44Å; D339-V341 PolarHBondContact O-N 3.28Å; V341-Q343 VanDerWaalsContact C-N 3.33Å; V341-Q343 PolarHBondContact O-N 2.93Å; V341-I344 PolarHBondContact O-N 2.94Å; V341-E345 HydrophobicContact CG1-CG 4.47Å; V341-E345 WeakPolarHBondContact O-CG 3.34Å; V341-E345 PolarHBondContact O-N 3.06Å
342	R	95.5	Very high	95.1	Very high	152 Å²	152	71.4 Å²	71.4	57%	0.574	38%	0.38	S	S	*	.	H	α-helix	trans	-60.5	-42.4	178.5	-74.6	177.6	178.4	177.1	-1.5	112.2	T338 D339 E340 E345 V346	T338-R342 WeakPolarHBondContact O-CG 3.47Å; T338-R342 PolarHBondContact O-N 2.87Å; T338-R342 VanDerWaalsContact O-N 3.12Å; D339-R342 PolarHBondContact O-N 3.44Å; E340-R342 PolarHBondContact O-N 3.34Å; R342-E345 PolarHBondContact O-N 2.85Å; R342-V346 WeakPolarHBondContact O-CG2 3.38Å; R342-V346 PolarHBondContact O-N 3.45Å
343	Q	95.1	Very high	95.3	Very high	122 Å²	122	70.1 Å²	70.1	57%	0.57	36%	0.364	S	S	*	.	H	α-helix	trans	-67.6	-38	179	-70.1	-60.1	-20.3	0	0	111.9	D339 E340 V341 E345 V346 T347	D339-Q343 WeakPolarHBondContact O-CB 3.29Å; D339-Q343 VanDerWaalsContact O-CG 3.29Å; D339-Q343 WeakPolarHBondContact O-CG 3.46Å; D339-Q343 PolarHBondContact O-N 3.5Å; E340-Q343 PolarHBondContact O-N 2.88Å; V341-Q343 VanDerWaalsContact C-N 3.33Å; V341-Q343 PolarHBondContact O-N 2.93Å; Q343-E345 VanDerWaalsContact C-N 3.35Å; Q343-V346 PolarHBondContact O-N 3.3Å; Q343-T347 VanDerWaalsContact O-CB 3.32Å; Q343-T347 WeakPolarHBondContact O-CB 3.48Å; Q343-T347 PolarHBondContact O-N 3.04Å; Q343-T347 PolarHBondContact O-OG1 3.08Å
344	I	94.9	Very high	95.5	Very high	26 Å²	26	72.3 Å²	72.3	13%	0.133	37%	0.367	C	S	.	.	H	α-helix	trans	-63	-42.8	173.6	-68.8	168.2	0	0	0	110.4	L306 M309 A313 E340 V341 T347 N348	L306-I344 HydrophobicContact CB-CG2 4.45Å; M309-I344 HydrophobicContact CB-CD1 4.2Å; A313-I344 HydrophobicContact CB-CD1 4.39Å; E340-I344 HydrophobicContact CG-CD1 3.97Å; E340-I344 VanDerWaalsContact O-CG1 3.27Å; E340-I344 WeakPolarHBondContact O-CG1 3.33Å; E340-I344 PolarHBondContact O-N 3.38Å; V341-I344 PolarHBondContact O-N 2.94Å; I344-T347 PolarHBondContact O-N 3.32Å; I344-N348 WeakPolarHBondContact O-CB 3.19Å; I344-N348 PolarHBondContact O-N 2.92Å
345	E	95.3	Very high	95.7	Very high	105 Å²	105	71.4 Å²	71.4	49%	0.491	36%	0.363	S	S	.	.	H	α-helix	trans	-61.7	-48.2	176.9	-73.8	171.9	172.4	0	0	112.1	V341 R342 Q343 T347 N348 E349	V341-E345 HydrophobicContact CG1-CG 4.47Å; V341-E345 WeakPolarHBondContact O-CG 3.34Å; V341-E345 PolarHBondContact O-N 3.06Å; R342-E345 PolarHBondContact O-N 2.85Å; Q343-E345 VanDerWaalsContact C-N 3.35Å; E345-T347 PolarHBondContact O-N 2.94Å; E345-N348 PolarHBondContact O-N 3.46Å; E345-E349 PolarHBondContact O-N 3.48Å
346	V	96.3	Very high	95.9	Very high	86 Å²	86	72.4 Å²	72.4	52%	0.521	37%	0.366	S	S	.	.	H	α-helix	trans	-61.6	-44.9	177.2	170.9	0	0	0	0	111.3	R342 Q343 N348 E349 A350	R342-V346 WeakPolarHBondContact O-CG2 3.38Å; R342-V346 PolarHBondContact O-N 3.45Å; Q343-V346 PolarHBondContact O-N 3.3Å; V346-N348 VanDerWaalsContact C-N 3.33Å; V346-N348 PolarHBondContact O-N 3.48Å; V346-E349 PolarHBondContact O-N 3.28Å; V346-A350 WeakPolarHBondContact O-CB 3.46Å; V346-A350 PolarHBondContact O-N 2.92Å
347	T	95.9	Very high	96	Very high	63 Å²	63	74.5 Å²	74.5	39%	0.387	37%	0.365	S	S	.	.	H	α-helix	trans	-64.4	-41.2	178.8	-54.5	0	0	0	0	110.8	L306 Q343 I344 E345 A350 L351	L306-T347 HydrophobicContact CD1-CG2 4.12Å; Q343-T347 VanDerWaalsContact O-CB 3.32Å; Q343-T347 WeakPolarHBondContact O-CB 3.48Å; Q343-T347 PolarHBondContact O-N 3.04Å; Q343-T347 PolarHBondContact O-OG1 3.08Å; I344-T347 PolarHBondContact O-N 3.32Å; E345-T347 PolarHBondContact O-N 2.94Å; T347-A350 PolarHBondContact O-N 3.02Å; T347-L351 HydrophobicContact CG2-CD1 4.41Å; T347-L351 WeakPolarHBondContact O-CG 3.03Å; T347-L351 PolarHBondContact O-N 3.3Å
348	N	95.7	Very high	96.1	Very high	49 Å²	49	74.5 Å²	74.5	26%	0.262	37%	0.367	S	S	.	.	H	α-helix	trans	-63.8	-43	177.1	-175	59.4	0	0	0	111.8	L306 I344 E345 V346 L351 L352	L306-N348 HydrophobicContact CD1-CB 3.88Å; I344-N348 WeakPolarHBondContact O-CB 3.19Å; I344-N348 PolarHBondContact O-N 2.92Å; E345-N348 PolarHBondContact O-N 3.46Å; V346-N348 VanDerWaalsContact C-N 3.33Å; V346-N348 PolarHBondContact O-N 3.48Å; N348-L351 PolarHBondContact O-N 3.22Å; N348-L352 WeakPolarHBondContact O-CB 3.4Å; N348-L352 VanDerWaalsContact O-CG 3.29Å; N348-L352 WeakPolarHBondContact O-CG 3.47Å; N348-L352 PolarHBondContact O-N 3.03Å
349	E	96.1	Very high	96.2	Very high	131 Å²	131	78.1 Å²	78.1	61%	0.612	38%	0.376	S	S	*	.	H	α-helix	trans	-62.9	-41.9	175.6	-170.9	170.8	-161.3	0	0	111.8	E345 V346 L352 E353	E345-E349 PolarHBondContact O-N 3.48Å; V346-E349 PolarHBondContact O-N 3.28Å; E349-L352 PolarHBondContact O-N 2.77Å; E349-E353 WeakPolarHBondContact O-CB 3.39Å; E349-E353 PolarHBondContact O-N 2.95Å
350	A	96.7	Very high	96.4	Very high	56 Å²	56	80.9 Å²	80.9	46%	0.463	39%	0.386	S	S	.	.	H	α-helix	trans	-63.4	-42.1	176.1	0	0	0	0	0	112.7	V346 T347 E353 K354	V346-A350 WeakPolarHBondContact O-CB 3.46Å; V346-A350 PolarHBondContact O-N 2.92Å; T347-A350 PolarHBondContact O-N 3.02Å; A350-E353 PolarHBondContact O-N 3.01Å; A350-K354 PolarHBondContact O-N 3.01Å
351	L	96.9	Very high	96.5	Very high	38 Å²	38	79.2 Å²	79.2	20%	0.199	39%	0.385	C	S	.	.	H	α-helix	trans	-66.6	-42.6	176.2	-71.6	178.8	0	0	0	112	L299 A302 I303 L306 T347 N348 E353 K354 Q355	L299-L351 HydrophobicContact CD2-CD2 3.94Å; A302-L351 HydrophobicContact CB-CD1 4.03Å; I303-L351 HydrophobicContact CD1-CB 4.23Å; I303-L351 HydrophobicContact CG1-CB 3.74Å; I303-L351 HydrophobicContact CG1-CD1 4.21Å; L306-L351 HydrophobicContact CD1-CD1 3.71Å; L306-L351 HydrophobicContact CG-CD1 4.47Å; T347-L351 HydrophobicContact CG2-CD1 4.41Å; T347-L351 WeakPolarHBondContact O-CG 3.03Å; T347-L351 PolarHBondContact O-N 3.3Å; N348-L351 PolarHBondContact O-N 3.22Å; L351-E353 VanDerWaalsContact C-N 3.3Å; L351-E353 PolarHBondContact O-N 3.09Å; L351-K354 PolarHBondContact O-N 3.48Å; L351-Q355 WeakPolarHBondContact O-CB 3.44Å; L351-Q355 PolarHBondContact O-N 3.3Å
352	L	96.9	Very high	96.6	Very high	63 Å²	63	79.2 Å²	79.2	33%	0.33	38%	0.384	S	S	.	.	H	α-helix	trans	-61.3	-40	175.3	-75.9	168.7	0	0	0	111.6	I303 N348 E349 Q355 R356	I303-L352 HydrophobicContact CD1-CD2 3.89Å; I303-L352 HydrophobicContact CD1-CG 4.27Å; N348-L352 WeakPolarHBondContact O-CB 3.4Å; N348-L352 VanDerWaalsContact O-CG 3.29Å; N348-L352 WeakPolarHBondContact O-CG 3.47Å; N348-L352 PolarHBondContact O-N 3.03Å; E349-L352 PolarHBondContact O-N 2.77Å; L352-Q355 WeakPolarHBondContact O-CB 3.27Å; L352-Q355 PolarHBondContact O-N 3.34Å; L352-R356 WeakPolarHBondContact O-CG 3.33Å; L352-R356 PolarHBondContact O-N 3.15Å
353	E	97.1	Very high	96.7	Very high	71 Å²	71	76.4 Å²	76.4	33%	0.332	38%	0.38	S	S	.	.	H	α-helix	trans	-64.6	-43.4	175.3	179	53.2	-154.1	0	0	111.9	E349 A350 L351 Q355 R356 Q357	E349-E353 WeakPolarHBondContact O-CB 3.39Å; E349-E353 PolarHBondContact O-N 2.95Å; A350-E353 PolarHBondContact O-N 3.01Å; L351-E353 VanDerWaalsContact C-N 3.3Å; L351-E353 PolarHBondContact O-N 3.09Å; E353-Q355 VanDerWaalsContact C-N 3.32Å; E353-Q355 PolarHBondContact O-N 3.15Å; E353-R356 WeakPolarHBondContact O-CB 3.35Å; E353-R356 PolarHBondContact O-N 2.88Å; E353-R356 IonicContact OE2-CZ 3.37Å; E353-R356 IonicContact OE2-NE 2.93Å; E353-R356 PolarHBondContact OE2-NE 2.91Å; E353-R356 IonicContact OE2-NH2 3.33Å; E353-R356 PolarHBondContact OE2-NH2 3.03Å; E353-Q357 WeakPolarHBondContact O-CG 3.5Å; E353-Q357 PolarHBondContact O-N 3.39Å; E353-Q357 PolarHBondContact OE1-NE2 3.17Å
354	K	96.9	Very high	96.8	Very high	119 Å²	119	73 Å²	73	52%	0.517	37%	0.373	S	S	.	.	H	α-helix	trans	-62.9	-38.9	174.6	-76.1	-71.6	166.7	-161.4	0	112.5	L299 A350 L351 R356 Q357 A358	L299-K354 HydrophobicContact CD2-CB 4.41Å; A350-K354 PolarHBondContact O-N 3.01Å; L351-K354 PolarHBondContact O-N 3.48Å; K354-R356 VanDerWaalsContact C-N 3.33Å; K354-R356 PolarHBondContact O-N 3.49Å; K354-Q357 PolarHBondContact O-N 2.71Å; K354-A358 WeakPolarHBondContact O-CB 3.23Å; K354-A358 PolarHBondContact O-N 3.03Å
355	Q	97.1	Very high	96.9	Very high	20 Å²	20	73.6 Å²	73.6	9%	0.093	38%	0.376	C	S	.	.	H	α-helix	trans	-60.7	-42	173.7	-165.9	-170.3	49.2	0	0	111.5	L296 E300 I303 L351 L352 E353 R359	L296-Q355 HydrophobicContact CD2-CG 3.92Å; E300-Q355 PolarHBondContact OE2-NE2 3.41Å; I303-Q355 HydrophobicContact CD1-CB 4.38Å; L351-Q355 WeakPolarHBondContact O-CB 3.44Å; L351-Q355 PolarHBondContact O-N 3.3Å; L352-Q355 WeakPolarHBondContact O-CB 3.27Å; L352-Q355 PolarHBondContact O-N 3.34Å; E353-Q355 VanDerWaalsContact C-N 3.32Å; E353-Q355 PolarHBondContact O-N 3.15Å; Q355-R359 WeakPolarHBondContact O-CB 3.49Å; Q355-R359 WeakPolarHBondContact O-CG 3.36Å; Q355-R359 PolarHBondContact O-N 3.2Å
356	R	97.3	Very high	97.1	Very high	150 Å²	150	71.9 Å²	71.9	57%	0.566	37%	0.368	S	S	*	.	H	α-helix	trans	-61.5	-44.5	174.8	-73	-169.1	-71.2	-128	1.2	112.2	L352 E353 K354 R359 H360	L352-R356 WeakPolarHBondContact O-CG 3.33Å; L352-R356 PolarHBondContact O-N 3.15Å; E353-R356 WeakPolarHBondContact O-CB 3.35Å; E353-R356 PolarHBondContact O-N 2.88Å; E353-R356 IonicContact OE2-CZ 3.37Å; E353-R356 IonicContact OE2-NE 2.93Å; E353-R356 PolarHBondContact OE2-NE 2.91Å; E353-R356 IonicContact OE2-NH2 3.33Å; E353-R356 PolarHBondContact OE2-NH2 3.03Å; K354-R356 VanDerWaalsContact C-N 3.33Å; K354-R356 PolarHBondContact O-N 3.49Å; R356-R359 PolarHBondContact O-N 2.94Å; R356-H360 PolarHBondContact O-N 3.23Å
357	Q	97.5	Very high	97.1	Very high	84 Å²	84	74.3 Å²	74.3	39%	0.393	37%	0.372	S	S	.	.	H	α-helix	trans	-63	-46.9	178.7	-69.3	173.2	8	0	0	111.8	E353 K354 H360 A361	E353-Q357 WeakPolarHBondContact O-CG 3.5Å; E353-Q357 PolarHBondContact O-N 3.39Å; E353-Q357 PolarHBondContact OE1-NE2 3.17Å; K354-Q357 PolarHBondContact O-N 2.71Å; Q357-H360 PolarHBondContact O-N 2.96Å; Q357-A361 PolarHBondContact O-N 2.88Å
358	A	97.3	Very high	97.2	Very high	14 Å²	14	75 Å²	75	12%	0.116	37%	0.371	C	S	.	.	H	α-helix	trans	-61.4	-44.6	177.4	0	0	0	0	0	111.9	M292 L296 L299 K354 H360 A361 L362	M292-A358 HydrophobicContact SD-CB 3.81Å; L296-A358 HydrophobicContact CD2-CB 3.58Å; L296-A358 HydrophobicContact CG-CB 4.03Å; L299-A358 HydrophobicContact CD1-CB 4.4Å; K354-A358 WeakPolarHBondContact O-CB 3.23Å; K354-A358 PolarHBondContact O-N 3.03Å; A358-H360 VanDerWaalsContact C-N 3.3Å; A358-H360 PolarHBondContact O-N 3.48Å; A358-A361 PolarHBondContact O-N 3.37Å; A358-L362 WeakPolarHBondContact O-CB 3.29Å; A358-L362 PolarHBondContact O-N 3.28Å
359	R	97.1	Very high	97.4	Very high	118 Å²	118	73.5 Å²	73.5	45%	0.445	36%	0.362	S	S	.	.	H	α-helix	trans	-60.7	-38.2	174.4	-72.1	-179.3	-177.1	-153.1	2.3	112.4	L296 E300 Q355 R356 N363	L296-R359 HydrophobicContact CD1-CG 3.99Å; L296-R359 HydrophobicContact CD2-CG 3.65Å; E300-R359 IonicContact OE2-NH2 2.67Å; E300-R359 PolarHBondContact OE2-NH2 3.02Å; E300-R359 VanDerWaalsContact OE2-NH2 3.16Å; Q355-R359 WeakPolarHBondContact O-CB 3.49Å; Q355-R359 WeakPolarHBondContact O-CG 3.36Å; Q355-R359 PolarHBondContact O-N 3.2Å; R356-R359 PolarHBondContact O-N 2.94Å; R359-N363 WeakPolarHBondContact O-CB 3.44Å; R359-N363 PolarHBondContact O-N 3.33Å; R359-N363 PolarHBondContact O-ND2 3.34Å
360	H	97.5	Very high	97.4	Very high	142 Å²	142	72 Å²	72	66%	0.657	36%	0.358	S	S	*	.	H	α-helix	trans	-66.3	-44.5	176	-178.1	-81	0	0	0	111.8	R356 Q357 A358 N363 A364	R356-H360 PolarHBondContact O-N 3.23Å; Q357-H360 PolarHBondContact O-N 2.96Å; A358-H360 VanDerWaalsContact C-N 3.3Å; A358-H360 PolarHBondContact O-N 3.48Å; H360-N363 PolarHBondContact O-N 3.11Å; H360-A364 PolarHBondContact O-N 3.02Å; H360-A364 VanDerWaalsContact O-N 3.1Å
361	A	97.3	Very high	97.4	Very high	38 Å²	38	77.2 Å²	77.2	31%	0.314	37%	0.366	S	S	.	.	H	α-helix	trans	-61.5	-46.4	176.4	0	0	0	0	0	111.7	M292 Q357 A358 N363 A364 L365	M292-A361 HydrophobicContact CE-CB 4.35Å; Q357-A361 PolarHBondContact O-N 2.88Å; A358-A361 PolarHBondContact O-N 3.37Å; A361-N363 VanDerWaalsContact C-N 3.31Å; A361-N363 PolarHBondContact O-N 3.17Å; A361-A364 WeakPolarHBondContact O-CA 3.33Å; A361-A364 WeakPolarHBondContact O-CB 3.44Å; A361-A364 PolarHBondContact O-N 3.48Å; A361-L365 PolarHBondContact O-N 2.99Å
362	L	97.7	Very high	97.5	Very high	16 Å²	16	76 Å²	76	8%	0.084	36%	0.36	C	S	.	.	H	α-helix	trans	-59.4	-40.8	176.7	-176.3	57	0	0	0	112.3	M289 M292 E293 L296 A358 A364 L365 H366	M289-L362 HydrophobicContact CB-CD1 4.05Å; M289-L362 HydrophobicContact CG-CD1 3.91Å; M292-L362 HydrophobicContact CB-CD1 4.22Å; M292-L362 HydrophobicContact CG-CB 3.82Å; M292-L362 HydrophobicContact CG-CD1 4.26Å; M292-L362 HydrophobicContact CG-CG 4.46Å; E293-L362 HydrophobicContact CG-CD1 4.33Å; E293-L362 HydrophobicContact CG-CD2 3.78Å; L296-L362 HydrophobicContact CD1-CD2 3.63Å; A358-L362 WeakPolarHBondContact O-CB 3.29Å; A358-L362 PolarHBondContact O-N 3.28Å; L362-A364 VanDerWaalsContact C-N 3.28Å; L362-A364 PolarHBondContact O-N 2.88Å; L362-L365 PolarHBondContact O-N 3.22Å; L362-H366 PolarHBondContact O-N 2.85Å; L362-H366 PolarHBondContact O-ND1 3.15Å
363	N	97.4	Very high	97.5	Very high	93 Å²	93	75.1 Å²	75.1	50%	0.497	36%	0.355	S	S	.	.	H	α-helix	trans	-64.2	-32.8	174.4	-79.4	-38.9	0	0	0	112.7	R359 H360 A361 K367	R359-N363 WeakPolarHBondContact O-CB 3.44Å; R359-N363 PolarHBondContact O-N 3.33Å; R359-N363 PolarHBondContact O-ND2 3.34Å; H360-N363 PolarHBondContact O-N 3.11Å; A361-N363 VanDerWaalsContact C-N 3.31Å; A361-N363 PolarHBondContact O-N 3.17Å; N363-K367 WeakPolarHBondContact O-CG 3.2Å; N363-K367 PolarHBondContact O-N 2.95Å
364	A	97.8	Very high	97.5	Very high	51 Å²	51	75.8 Å²	75.8	42%	0.421	36%	0.361	S	S	.	.	H	α-helix	trans	-69.2	-41.3	174.4	0	0	0	0	0	111.4	H360 A361 L362 K367 Q368	H360-A364 PolarHBondContact O-N 3.02Å; H360-A364 VanDerWaalsContact O-N 3.1Å; A361-A364 WeakPolarHBondContact O-CA 3.33Å; A361-A364 WeakPolarHBondContact O-CB 3.44Å; A361-A364 PolarHBondContact O-N 3.48Å; L362-A364 VanDerWaalsContact C-N 3.28Å; L362-A364 PolarHBondContact O-N 2.88Å; A364-K367 PolarHBondContact O-N 3.27Å; A364-Q368 PolarHBondContact O-N 3.18Å
365	L	98.1	Very high	97.5	Very high	39 Å²	39	72.3 Å²	72.3	20%	0.204	35%	0.348	C	S	.	.	H	α-helix	trans	-61.3	-46.8	174.9	-66.8	175	0	0	0	111.7	I285 E288 M289 A361 L362 K367 Q368 L369	I285-L365 HydrophobicContact CG2-CB 4.28Å; I285-L365 HydrophobicContact CG2-CD2 4.39Å; E288-L365 HydrophobicContact CB-CD1 4.37Å; E288-L365 HydrophobicContact CG-CD1 3.78Å; M289-L365 HydrophobicContact CG-CB 3.62Å; M289-L365 HydrophobicContact CG-CD1 3.95Å; M289-L365 HydrophobicContact CG-CG 4.41Å; M289-L365 HydrophobicContact SD-CB 4.11Å; A361-L365 PolarHBondContact O-N 2.99Å; L362-L365 PolarHBondContact O-N 3.22Å; L365-K367 VanDerWaalsContact C-N 3.3Å; L365-K367 PolarHBondContact O-N 3.25Å; L365-Q368 PolarHBondContact O-N 2.97Å; L365-L369 WeakPolarHBondContact O-CB 3.43Å; L365-L369 PolarHBondContact O-N 3.27Å
366	H	98	Very high	97.5	Very high	68 Å²	68	72 Å²	72	32%	0.315	35%	0.347	S	S	.	.	H	α-helix	trans	-54.5	-43.9	174.5	-79.6	105.1	0	0	0	112.9	M289 L362 Q368 L369 N370	M289-H366 WeakPolarHBondContact CE-CD2 3.34Å; M289-H366 WeakPolarHBondContact CE-NE2 3.44Å; L362-H366 PolarHBondContact O-N 2.85Å; L362-H366 PolarHBondContact O-ND1 3.15Å; H366-Q368 VanDerWaalsContact C-N 3.32Å; H366-Q368 PolarHBondContact O-N 3.4Å; H366-L369 PolarHBondContact O-N 2.9Å; H366-N370 PolarHBondContact O-N 2.95Å; H366-N370 PolarHBondContact O-ND2 3.06Å
367	K	98	Very high	97.5	Very high	138 Å²	138	68.2 Å²	68.2	60%	0.6	34%	0.341	S	S	*	.	H	α-helix	trans	-64.4	-38.8	177.4	-72.5	172.5	-175.6	176.3	0	111.7	N363 A364 L365 R371	N363-K367 WeakPolarHBondContact O-CG 3.2Å; N363-K367 PolarHBondContact O-N 2.95Å; A364-K367 PolarHBondContact O-N 3.27Å; L365-K367 VanDerWaalsContact C-N 3.3Å; L365-K367 PolarHBondContact O-N 3.25Å; K367-R371 WeakPolarHBondContact O-CG 3.46Å; K367-R371 PolarHBondContact O-N 3.5Å
368	Q	97.8	Very high	97.4	Very high	78 Å²	78	65 Å²	65	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-70.8	-41.1	178.1	-172.6	61.8	12.2	0	0	111.6	I285 A364 L365 H366 N370 R371 I372	I285-Q368 HydrophobicContact CD1-CB 4.14Å; I285-Q368 HydrophobicContact CD1-CG 3.57Å; A364-Q368 PolarHBondContact O-N 3.18Å; L365-Q368 PolarHBondContact O-N 2.97Å; H366-Q368 VanDerWaalsContact C-N 3.32Å; H366-Q368 PolarHBondContact O-N 3.4Å; Q368-N370 VanDerWaalsContact C-N 3.3Å; Q368-N370 PolarHBondContact O-N 2.87Å; Q368-R371 WeakPolarHBondContact O-CB 3.41Å; Q368-R371 PolarHBondContact O-N 3.36Å; Q368-R371 VanDerWaalsContact O-N 3.09Å; Q368-I372 HydrophobicContact CG-CD1 4.43Å; Q368-I372 WeakPolarHBondContact O-CG1 3.42Å; Q368-I372 PolarHBondContact O-N 3.42Å
369	L	98.1	Very high	97.4	Very high	17 Å²	17	65.4 Å²	65.4	9%	0.089	33%	0.325	C	S	.	.	H	α-helix	trans	-57.2	-44.3	174.8	-177.3	61.4	0	0	0	111.3	K282 I285 E286 M289 L365 H366 R371 I372 N373	K282-L369 HydrophobicContact CG-CD1 3.81Å; I285-L369 HydrophobicContact CG2-CB 4Å; I285-L369 HydrophobicContact CG2-CD1 4.38Å; E286-L369 HydrophobicContact CG-CD1 3.93Å; E286-L369 HydrophobicContact CG-CD2 4.07Å; M289-L369 HydrophobicContact CE-CD2 4.01Å; M289-L369 HydrophobicContact SD-CB 4.24Å; M289-L369 HydrophobicContact SD-CD2 3.71Å; L365-L369 WeakPolarHBondContact O-CB 3.43Å; L365-L369 PolarHBondContact O-N 3.27Å; H366-L369 PolarHBondContact O-N 2.9Å; L369-R371 VanDerWaalsContact C-N 3.33Å; L369-R371 PolarHBondContact O-N 2.88Å; L369-I372 PolarHBondContact O-N 3.22Å; L369-N373 WeakPolarHBondContact O-CB 3.39Å; L369-N373 PolarHBondContact O-N 2.82Å; L369-N373 PolarHBondContact O-ND2 3.47Å
370	N	97.5	Very high	97.4	Very high	98 Å²	98	64 Å²	64	52%	0.524	32%	0.324	S	S	.	.	H	α-helix	trans	-60.6	-41.2	175.8	-71.9	-18.3	0	0	0	112.2	H366 Q368 N373 D374	H366-N370 PolarHBondContact O-N 2.95Å; H366-N370 PolarHBondContact O-ND2 3.06Å; Q368-N370 VanDerWaalsContact C-N 3.3Å; Q368-N370 PolarHBondContact O-N 2.87Å; N370-N373 PolarHBondContact O-N 3.48Å; N370-D374 PolarHBondContact O-N 3.24Å
371	R	97.1	Very high	97.4	Very high	167 Å²	167	61.2 Å²	61.2	63%	0.63	31%	0.311	S	S	*	.	H	α-helix	trans	-65.2	-40.7	176.4	-69.5	170.1	178.5	174.8	-3.2	112.5	K367 Q368 L369 D374 D375	K367-R371 WeakPolarHBondContact O-CG 3.46Å; K367-R371 PolarHBondContact O-N 3.5Å; Q368-R371 WeakPolarHBondContact O-CB 3.41Å; Q368-R371 PolarHBondContact O-N 3.36Å; Q368-R371 VanDerWaalsContact O-N 3.09Å; L369-R371 VanDerWaalsContact C-N 3.33Å; L369-R371 PolarHBondContact O-N 2.88Å; R371-D374 PolarHBondContact O-N 3.33Å; R371-D375 PolarHBondContact O-N 3.2Å
372	I	97.7	Very high	97.4	Very high	12 Å²	12	59.5 Å²	59.5	6%	0.062	30%	0.297	C	S	.	.	H	α-helix	trans	-65.5	-44.3	176.7	-68.4	-178	0	0	0	110.1	L278 Q281 K282 I285 Q368 L369 D374 D375 I376	L278-I372 HydrophobicContact CD2-CG2 4.31Å; Q281-I372 HydrophobicContact CB-CD1 3.99Å; K282-I372 HydrophobicContact CB-CG2 3.91Å; I285-I372 HydrophobicContact CD1-CD1 3.53Å; Q368-I372 HydrophobicContact CG-CD1 4.43Å; Q368-I372 WeakPolarHBondContact O-CG1 3.42Å; Q368-I372 PolarHBondContact O-N 3.42Å; L369-I372 PolarHBondContact O-N 3.22Å; I372-D374 VanDerWaalsContact C-N 3.34Å; I372-D374 PolarHBondContact O-N 3.16Å; I372-D375 PolarHBondContact O-N 2.94Å; I372-I376 HydrophobicContact CG2-CD1 3.84Å; I372-I376 HydrophobicContact CG2-CG1 4.29Å; I372-I376 VanDerWaalsContact O-CG1 3.32Å; I372-I376 WeakPolarHBondContact O-CG1 3.26Å; I372-I376 PolarHBondContact O-N 3.39Å
373	N	97.8	Very high	97.4	Very high	44 Å²	44	60 Å²	60	24%	0.235	30%	0.299	C	S	.	.	H	α-helix	trans	-59.9	-44.4	175.6	-76.7	-43.8	0	0	0	111.7	K282 L369 N370 D375 I376 T377	K282-N373 WeakPolarHBondContact CD-OD1 3.5Å; K282-N373 VanDerWaalsContact CE-OD1 3.24Å; K282-N373 WeakPolarHBondContact CE-OD1 3.46Å; K282-N373 PolarHBondContact NZ-OD1 2.84Å; L369-N373 WeakPolarHBondContact O-CB 3.39Å; L369-N373 PolarHBondContact O-N 2.82Å; L369-N373 PolarHBondContact O-ND2 3.47Å; N370-N373 PolarHBondContact O-N 3.48Å; N373-D375 VanDerWaalsContact C-N 3.34Å; N373-D375 PolarHBondContact O-N 2.9Å; N373-I376 PolarHBondContact O-N 3.47Å; N373-T377 WeakPolarHBondContact O-CG2 3.42Å; N373-T377 PolarHBondContact O-N 3Å
374	D	96.4	Very high	97.4	Very high	85 Å²	85	60.4 Å²	60.4	46%	0.455	30%	0.298	S	S	.	.	H	α-helix	trans	-58.3	-45.2	174.6	-76	-8.4	0	0	0	111.3	N370 R371 I372 T377 L378	N370-D374 PolarHBondContact O-N 3.24Å; R371-D374 PolarHBondContact O-N 3.33Å; I372-D374 VanDerWaalsContact C-N 3.34Å; I372-D374 PolarHBondContact O-N 3.16Å; D374-T377 PolarHBondContact O-N 3.41Å; D374-T377 PolarHBondContact O-OG1 2.85Å; D374-L378 WeakPolarHBondContact O-CG 3.29Å; D374-L378 PolarHBondContact O-N 2.86Å
375	D	96.8	Very high	97.3	Very high	46 Å²	46	58.8 Å²	58.8	25%	0.246	28%	0.282	C	S	.	.	H	α-helix	trans	-69.6	-37.1	179.7	-159.3	50.2	0	0	0	112.6	L278 R371 I372 N373 T377 L378 K379	L278-D375 HydrophobicContact CD1-CB 4.32Å; L278-D375 WeakPolarHBondContact CD1-OD2 3.43Å; R371-D375 PolarHBondContact O-N 3.2Å; I372-D375 PolarHBondContact O-N 2.94Å; N373-D375 VanDerWaalsContact C-N 3.34Å; N373-D375 PolarHBondContact O-N 2.9Å; D375-T377 VanDerWaalsContact C-N 3.33Å; D375-T377 PolarHBondContact O-N 3.42Å; D375-L378 PolarHBondContact O-N 3.33Å; D375-K379 WeakPolarHBondContact O-CG 3.31Å; D375-K379 PolarHBondContact O-N 3.35Å; D375-K379 IonicContact OD1-NZ 3.38Å; D375-K379 PolarHBondContact OD1-NZ 3.02Å; D375-K379 IonicContact OD2-NZ 3.43Å; D375-K379 PolarHBondContact OD2-NZ 3.35Å
376	I	97.8	Very high	97.3	Very high	13 Å²	13	56.9 Å²	56.9	7%	0.067	27%	0.273	C	S	.	.	H	α-helix	trans	-55.7	-49.8	172	-71.9	169.6	0	0	0	109.9	L275 L278 K279 K282 I372 N373 L378 K379 E380	L275-I376 HydrophobicContact CD2-CG2 4.18Å; L278-I376 HydrophobicContact CB-CD1 4.19Å; L278-I376 HydrophobicContact CB-CG1 3.63Å; L278-I376 HydrophobicContact CD1-CG1 4.24Å; K279-I376 HydrophobicContact CG-CD1 4.33Å; K282-I376 HydrophobicContact CB-CD1 4.21Å; K282-I376 HydrophobicContact CD-CD1 3.92Å; I372-I376 HydrophobicContact CG2-CD1 3.84Å; I372-I376 HydrophobicContact CG2-CG1 4.29Å; I372-I376 VanDerWaalsContact O-CG1 3.32Å; I372-I376 WeakPolarHBondContact O-CG1 3.26Å; I372-I376 PolarHBondContact O-N 3.39Å; N373-I376 PolarHBondContact O-N 3.47Å; I376-L378 VanDerWaalsContact C-N 3.3Å; I376-L378 PolarHBondContact O-N 3.01Å; I376-K379 PolarHBondContact O-N 3.5Å; I376-E380 HydrophobicContact CG2-CG 4.25Å; I376-E380 WeakPolarHBondContact O-CG 3.28Å; I376-E380 PolarHBondContact O-N 2.92Å
377	T	97	Very high	97.2	Very high	72 Å²	72	56 Å²	56	44%	0.442	27%	0.27	S	S	.	.	H	α-helix	trans	-60.9	-39.1	-179.6	60.9	0	0	0	0	112.5	N373 D374 D375 E381	N373-T377 WeakPolarHBondContact O-CG2 3.42Å; N373-T377 PolarHBondContact O-N 3Å; D374-T377 PolarHBondContact O-N 3.41Å; D374-T377 PolarHBondContact O-OG1 2.85Å; D375-T377 VanDerWaalsContact C-N 3.33Å; D375-T377 PolarHBondContact O-N 3.42Å; T377-E381 WeakPolarHBondContact O-CG 3.33Å; T377-E381 PolarHBondContact O-N 3.44Å; T377-E381 VanDerWaalsContact O-N 3.08Å
378	L	96.4	Very high	97.2	Very high	16 Å²	16	52.6 Å²	52.6	8%	0.084	26%	0.258	C	S	.	.	H	α-helix	trans	-65.2	-44.6	176.4	-68.4	168.6	0	0	0	111.8	K123 R124 D374 D375 I376 E381 S382	K123-L378 HydrophobicContact CB-CD2 4.05Å; R124-L378 HydrophobicContact CB-CD1 4.46Å; D374-L378 WeakPolarHBondContact O-CG 3.29Å; D374-L378 PolarHBondContact O-N 2.86Å; D375-L378 PolarHBondContact O-N 3.33Å; I376-L378 VanDerWaalsContact C-N 3.3Å; I376-L378 PolarHBondContact O-N 3.01Å; L378-E381 PolarHBondContact O-N 3.12Å; L378-S382 WeakPolarHBondContact O-CB 3.31Å; L378-S382 PolarHBondContact O-N 3.29Å; L378-S382 PolarHBondContact O-OG 3.39Å
379	K	96.4	Very high	97.1	Very high	22 Å²	22	48.9 Å²	48.9	10%	0.096	24%	0.241	C	C	.	.	H	α-helix	trans	-68.2	-35.5	-179.8	-63.7	-71	177.1	-72.3	0	111.8	D126 F271 L275 L278 D375 I376 S382 L383	D126-K379 WeakPolarHBondContact OD1-CE 3.4Å; D126-K379 IonicContact OD1-NZ 3.77Å; D126-K379 PolarHBondContact OD1-NZ 3.19Å; D126-K379 IonicContact OD2-NZ 2.84Å; D126-K379 PolarHBondContact OD2-NZ 2.96Å; F271-K379 HydrophobicContact CD1-CD 3.79Å; F271-K379 HydrophobicContact CE1-CD 3.89Å; L275-K379 HydrophobicContact CD1-CB 4.39Å; L275-K379 HydrophobicContact CD2-CB 3.52Å; L275-K379 HydrophobicContact CG-CB 3.76Å; L278-K379 HydrophobicContact CD1-CG 3.94Å; D375-K379 WeakPolarHBondContact O-CG 3.31Å; D375-K379 PolarHBondContact O-N 3.35Å; D375-K379 IonicContact OD1-NZ 3.38Å; D375-K379 PolarHBondContact OD1-NZ 3.02Å; D375-K379 IonicContact OD2-NZ 3.43Å; D375-K379 PolarHBondContact OD2-NZ 3.35Å; I376-K379 PolarHBondContact O-N 3.5Å; K379-S382 PolarHBondContact O-N 3.26Å; K379-L383 VanDerWaalsContact O-CB 3.29Å; K379-L383 WeakPolarHBondContact O-CB 3.24Å; K379-L383 PolarHBondContact O-N 3.46Å
380	E	97.6	Very high	96.9	Very high	89 Å²	89	49 Å²	49	42%	0.416	24%	0.242	S	C	.	.	H	α-helix	trans	-64.6	-44.5	173.2	-73.2	-178.8	159.2	0	0	111.5	L275 K279 I376 S382 L383 Q384	L275-E380 HydrophobicContact CD1-CG 4.05Å; L275-E380 HydrophobicContact CD2-CG 3.68Å; K279-E380 IonicContact NZ-OE1 3.62Å; I376-E380 HydrophobicContact CG2-CG 4.25Å; I376-E380 WeakPolarHBondContact O-CG 3.28Å; I376-E380 PolarHBondContact O-N 2.92Å; E380-S382 PolarHBondContact O-N 3.24Å; E380-L383 PolarHBondContact O-N 2.86Å; E380-Q384 PolarHBondContact O-N 2.81Å
381	E	97.1	Very high	96.8	Very high	84 Å²	84	47.6 Å²	47.6	39%	0.393	24%	0.239	S	C	.	.	H	α-helix	trans	-60.5	-44.8	173.8	-73	-177.9	168.2	0	0	111.6	K123 T377 L378 Q384 I385	K123-E381 WeakPolarHBondContact CD-OE2 3.44Å; K123-E381 WeakPolarHBondContact CE-OE2 3.38Å; K123-E381 IonicContact NZ-OE1 3.44Å; K123-E381 PolarHBondContact NZ-OE1 2.98Å; K123-E381 IonicContact NZ-OE2 3.85Å; K123-E381 PolarHBondContact NZ-OE2 3.46Å; T377-E381 WeakPolarHBondContact O-CG 3.33Å; T377-E381 PolarHBondContact O-N 3.44Å; T377-E381 VanDerWaalsContact O-N 3.08Å; L378-E381 PolarHBondContact O-N 3.12Å; E381-Q384 PolarHBondContact O-N 3.31Å; E381-I385 WeakPolarHBondContact O-CG1 3.39Å; E381-I385 PolarHBondContact O-N 2.9Å
382	S	97	Very high	96.7	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.014	21%	0.213	C	C	.	.	H	α-helix	trans	-65.7	-39.6	178.3	-67.6	0	0	0	0	112.8	D126 L378 K379 E380 Q384 I385 E386	D126-S382 VanDerWaalsContact CB-OG 3.23Å; D126-S382 WeakPolarHBondContact CB-OG 3.32Å; D126-S382 WeakPolarHBondContact OD2-CB 3.17Å; D126-S382 PolarHBondContact OD2-OG 3.21Å; L378-S382 WeakPolarHBondContact O-CB 3.31Å; L378-S382 PolarHBondContact O-N 3.29Å; L378-S382 PolarHBondContact O-OG 3.39Å; K379-S382 PolarHBondContact O-N 3.26Å; E380-S382 PolarHBondContact O-N 3.24Å; S382-Q384 VanDerWaalsContact C-N 3.33Å; S382-I385 WeakPolarHBondContact O-CB 3.2Å; S382-I385 PolarHBondContact O-N 2.94Å; S382-E386 PolarHBondContact O-N 3.27Å
383	L	97.5	Very high	96.5	Very high	26 Å²	26	39.9 Å²	39.9	14%	0.136	21%	0.211	C	C	.	.	H	α-helix	trans	-63.9	-39.4	175.3	178.1	60.3	0	0	0	111.3	K268 F271 E272 L275 K379 E380 I385 E386 N387	K268-L383 HydrophobicContact CG-CD1 3.66Å; F271-L383 HydrophobicContact CB-CB 4.15Å; F271-L383 HydrophobicContact CB-CD1 3.99Å; E272-L383 HydrophobicContact CG-CD1 3.89Å; E272-L383 HydrophobicContact CG-CD2 3.92Å; L275-L383 HydrophobicContact CD1-CB 4.22Å; L275-L383 HydrophobicContact CD1-CD2 3.61Å; K379-L383 VanDerWaalsContact O-CB 3.29Å; K379-L383 WeakPolarHBondContact O-CB 3.24Å; K379-L383 PolarHBondContact O-N 3.46Å; E380-L383 PolarHBondContact O-N 2.86Å; L383-I385 VanDerWaalsContact C-N 3.3Å; L383-I385 PolarHBondContact O-N 2.86Å; L383-E386 PolarHBondContact O-N 3.01Å; L383-N387 PolarHBondContact O-N 2.87Å; L383-N387 PolarHBondContact O-ND2 3.27Å
384	Q	97.3	Very high	96.1	Very high	101 Å²	101	41.5 Å²	41.5	47%	0.472	22%	0.216	S	C	.	.	H	α-helix	trans	-61.5	-40.7	175.3	-172.7	58.5	41.3	0	0	111.5	E380 E381 S382 E386 N387 D388	E380-Q384 PolarHBondContact O-N 2.81Å; E381-Q384 PolarHBondContact O-N 3.31Å; S382-Q384 VanDerWaalsContact C-N 3.33Å; Q384-E386 VanDerWaalsContact C-N 3.31Å; Q384-E386 PolarHBondContact O-N 3.49Å; Q384-N387 PolarHBondContact O-N 3.48Å; Q384-D388 PolarHBondContact NE2-OD1 3.41Å; Q384-D388 WeakPolarHBondContact O-CB 3.37Å; Q384-D388 PolarHBondContact O-N 3.11Å
385	I	96.9	Very high	95.8	Very high	17 Å²	17	44.6 Å²	44.6	9%	0.087	23%	0.228	C	C	.	.	H	α-helix	trans	-60.3	-39.8	175.5	-69.7	167.2	0	0	0	111.6	L118 R119 K121 R122 E381 S382 L383 D388 C389	L118-I385 HydrophobicContact CB-CG2 4.34Å; L118-I385 WeakPolarHBondContact O-CG2 3.31Å; R119-I385 HydrophobicContact CG-CG2 4.17Å; K121-I385 HydrophobicContact CB-CD1 4.04Å; R122-I385 HydrophobicContact CB-CD1 4.45Å; R122-I385 HydrophobicContact CG-CD1 3.67Å; R122-I385 HydrophobicContact CG-CG2 4.43Å; E381-I385 WeakPolarHBondContact O-CG1 3.39Å; E381-I385 PolarHBondContact O-N 2.9Å; S382-I385 WeakPolarHBondContact O-CB 3.2Å; S382-I385 PolarHBondContact O-N 2.94Å; L383-I385 VanDerWaalsContact C-N 3.3Å; L383-I385 PolarHBondContact O-N 2.86Å; I385-D388 PolarHBondContact O-N 3.4Å; I385-C389 PolarHBondContact O-N 3.25Å; I385-C389 PolarHBondContact O-SG 2.94Å
386	E	96.7	Very high	95.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.4	-41.5	175.9	-65.1	-47.9	96.6	0	0	112.4	R119 R122 K268 F271 S382 L383 Q384 D388 C389 L390	R119-E386 IonicContact CZ-OE1 3.16Å; R119-E386 VanDerWaalsContact NH1-CD 3.33Å; R119-E386 IonicContact NH1-OE1 3.93Å; R119-E386 PolarHBondContact NH1-OE1 3.35Å; R119-E386 IonicContact NH1-OE2 2.61Å; R119-E386 PolarHBondContact NH1-OE2 2.88Å; R122-E386 IonicContact CZ-OE1 2.69Å; R122-E386 IonicContact NE-OE1 2.68Å; R122-E386 IonicContact NH2-OE1 2.9Å; R122-E386 PolarHBondContact NH2-OE1 3.18Å; R122-E386 IonicContact NH2-OE2 3.2Å; R122-E386 PolarHBondContact NH2-OE2 3.48Å; K268-E386 HydrophobicContact CB-CB 4.15Å; F271-E386 HydrophobicContact CD2-CG 3.89Å; F271-E386 HydrophobicContact CE2-CG 3.95Å; S382-E386 PolarHBondContact O-N 3.27Å; L383-E386 PolarHBondContact O-N 3.01Å; Q384-E386 VanDerWaalsContact C-N 3.31Å; Q384-E386 PolarHBondContact O-N 3.49Å; E386-D388 VanDerWaalsContact C-N 3.34Å; E386-C389 PolarHBondContact O-N 2.8Å; E386-L390 WeakPolarHBondContact O-CG 3.38Å; E386-L390 PolarHBondContact O-N 3.25Å
387	N	96.7	Very high	94.6	Very high	49 Å²	49	46.1 Å²	46.1	26%	0.262	23%	0.23	S	C	.	.	H	α-helix	trans	-62.5	-42.2	175	-74.8	-43	0	0	0	111.5	K268 L383 Q384 L390 S391	K268-N387 WeakPolarHBondContact CD-OD1 3.36Å; K268-N387 WeakPolarHBondContact CE-OD1 3.2Å; L383-N387 PolarHBondContact O-N 2.87Å; L383-N387 PolarHBondContact O-ND2 3.27Å; Q384-N387 PolarHBondContact O-N 3.48Å; N387-L390 PolarHBondContact O-N 3.01Å; N387-S391 VanDerWaalsContact O-CB 3.25Å; N387-S391 WeakPolarHBondContact O-CB 3.47Å; N387-S391 PolarHBondContact O-N 3.24Å
388	D	96.9	Very high	93.3	Very high	66 Å²	66	49.8 Å²	49.8	35%	0.353	25%	0.247	S	C	.	.	H	α-helix	trans	-62.9	-42.9	177	-68.1	-10.5	0	0	0	111	L118 Q384 I385 E386 S391 L392	L118-D388 HydrophobicContact CD1-CB 4.1Å; Q384-D388 PolarHBondContact NE2-OD1 3.41Å; Q384-D388 WeakPolarHBondContact O-CB 3.37Å; Q384-D388 PolarHBondContact O-N 3.11Å; I385-D388 PolarHBondContact O-N 3.4Å; E386-D388 VanDerWaalsContact C-N 3.34Å; D388-S391 PolarHBondContact O-N 3.06Å; D388-L392 WeakPolarHBondContact O-CB 3.43Å; D388-L392 PolarHBondContact O-N 3.39Å
389	C	96	Very high	91.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.7	-45.8	176.2	-69.4	0	0	0	0	112.1	L264 I385 E386 L392 R393	L264-C389 HydrophobicContact CD2-CB 4.2Å; I385-C389 PolarHBondContact O-N 3.25Å; I385-C389 PolarHBondContact O-SG 2.94Å; E386-C389 PolarHBondContact O-N 2.8Å; C389-L392 PolarHBondContact O-N 2.96Å; C389-R393 WeakPolarHBondContact O-CG 3.23Å; C389-R393 PolarHBondContact O-N 3.5Å
390	L	95.4	Very high	89.2	Confident	21 Å²	21	56.3 Å²	56.3	11%	0.11	27%	0.273	C	S	.	.	H	α-helix	trans	-64.5	-43.3	177.9	-74.2	169.2	0	0	0	111.5	L264 R265 K268 E386 N387 R393 H394	L264-L390 HydrophobicContact CB-CD2 3.68Å; L264-L390 HydrophobicContact CB-CG 4.16Å; L264-L390 HydrophobicContact CD1-CD2 4.35Å; R265-L390 HydrophobicContact CG-CD1 4.23Å; R265-L390 HydrophobicContact CG-CD2 3.95Å; K268-L390 HydrophobicContact CB-CD1 4.31Å; K268-L390 HydrophobicContact CD-CD1 3.8Å; E386-L390 WeakPolarHBondContact O-CG 3.38Å; E386-L390 PolarHBondContact O-N 3.25Å; N387-L390 PolarHBondContact O-N 3.01Å; L390-R393 PolarHBondContact O-N 2.94Å; L390-H394 WeakPolarHBondContact O-CB 3.44Å; L390-H394 PolarHBondContact O-N 3.47Å
391	S	94.8	Very high	86.8	Confident	67 Å²	67	58.3 Å²	58.3	47%	0.469	28%	0.282	S	S	.	.	H	α-helix	trans	-62.6	-44.8	177	-176	0	0	0	0	111.7	N387 D388 R393 H394 Q395	N387-S391 VanDerWaalsContact O-CB 3.25Å; N387-S391 WeakPolarHBondContact O-CB 3.47Å; N387-S391 PolarHBondContact O-N 3.24Å; D388-S391 PolarHBondContact O-N 3.06Å; S391-R393 VanDerWaalsContact C-N 3.34Å; S391-R393 PolarHBondContact O-N 3.34Å; S391-H394 WeakPolarHBondContact O-CB 3.28Å; S391-H394 PolarHBondContact O-N 3.45Å; S391-Q395 WeakPolarHBondContact O-CB 3.26Å; S391-Q395 PolarHBondContact O-N 2.82Å
392	L	94.4	Very high	84.6	Confident	14 Å²	14	57 Å²	57	7%	0.073	28%	0.282	C	S	.	.	H	α-helix	trans	-59.3	-44.8	177.1	179.3	65.5	0	0	0	111.7	E114 L118 D388 C389 R396	E114-L392 HydrophobicContact CB-CD2 3.78Å; E114-L392 HydrophobicContact CG-CD2 3.57Å; L118-L392 HydrophobicContact CD1-CD2 4.19Å; D388-L392 WeakPolarHBondContact O-CB 3.43Å; D388-L392 PolarHBondContact O-N 3.39Å; C389-L392 PolarHBondContact O-N 2.96Å; L392-R396 HydrophobicContact CD1-CG 4.29Å; L392-R396 WeakPolarHBondContact O-CB 3.47Å; L392-R396 PolarHBondContact O-N 2.96Å
393	R	94.1	Very high	82.1	Confident	4 Å²	4	66.1 Å²	66.1	2%	0.015	32%	0.324	C	S	.	.	H	α-helix	trans	-65.3	-43.9	177.3	-71.6	177.9	72.7	84.3	-2.8	111.8	E139 A257 L264 C389 L390 S391 R396 M397	E139-R393 IonicContact OE1-CZ 3.15Å; E139-R393 IonicContact OE1-NH1 2.66Å; E139-R393 PolarHBondContact OE1-NH1 3.42Å; E139-R393 IonicContact OE1-NH2 3.94Å; E139-R393 PolarHBondContact OE1-NH2 3.42Å; E139-R393 IonicContact OE2-CZ 2.83Å; E139-R393 IonicContact OE2-NH1 2.64Å; E139-R393 PolarHBondContact OE2-NH1 3.36Å; E139-R393 IonicContact OE2-NH2 2.88Å; E139-R393 PolarHBondContact OE2-NH2 3Å; A257-R393 PolarHBondContact O-NH2 2.96Å; A257-R393 VanDerWaalsContact O-NH2 3.16Å; L264-R393 VanDerWaalsContact CD1-CD 3.47Å; C389-R393 WeakPolarHBondContact O-CG 3.23Å; C389-R393 PolarHBondContact O-N 3.5Å; L390-R393 PolarHBondContact O-N 2.94Å; S391-R393 VanDerWaalsContact C-N 3.34Å; S391-R393 PolarHBondContact O-N 3.34Å; R393-R396 PolarHBondContact O-N 2.77Å; R393-M397 VanDerWaalsContact CZ-CE 3.44Å; R393-M397 VanDerWaalsContact O-CB 3.29Å; R393-M397 WeakPolarHBondContact O-CB 3.3Å; R393-M397 PolarHBondContact O-N 3.23Å
394	H	89.7	Confident	79.4	Confident	77 Å²	77	71.1 Å²	71.1	36%	0.356	35%	0.351	S	S	.	.	H	α-helix	trans	-57.5	-49.2	176.4	179.8	80.2	0	0	0	111.4	L390 S391 D398 R399 Q401	L390-H394 WeakPolarHBondContact O-CB 3.44Å; L390-H394 PolarHBondContact O-N 3.47Å; S391-H394 WeakPolarHBondContact O-CB 3.28Å; S391-H394 PolarHBondContact O-N 3.45Å; H394-D398 PolarHBondContact O-N 2.69Å; H394-R399 PolarHBondContact CE1-O 2.82Å; H394-R399 PolarHBondContact ND1-O 2.87Å; H394-Q401 PolarHBondContact CE1-N 3.32Å; H394-Q401 VanDerWaalsContact CE1-N 3.3Å; H394-Q401 PolarHBondContact ND1-N 3.48Å
395	Q	89.4	Confident	76.8	Confident	150 Å²	150	72.1 Å²	72.1	70%	0.701	36%	0.359	S	S	*	.	H	α-helix	trans	-66.3	-41.2	-177.9	-172.4	-176	10.8	0	0	113	S391	S391-Q395 WeakPolarHBondContact O-CB 3.26Å; S391-Q395 PolarHBondContact O-N 2.82Å
396	R	88.1	Confident	74.2	Confident	88 Å²	88	78.8 Å²	78.8	33%	0.332	39%	0.388	S	S	.	.	H	α-helix	trans	-90.1	-25.9	-173.1	-70.6	-164	-179.1	162.3	14.7	114.7	T107 C111 E114 L392 R393	T107-R396 HydrophobicContact CG2-CB 4.07Å; C111-R396 HydrophobicContact CB-CB 4.42Å; E114-R396 IonicContact OE1-NH2 3.91Å; E114-R396 IonicContact OE2-CZ 3.73Å; E114-R396 IonicContact OE2-NH1 3.55Å; E114-R396 PolarHBondContact OE2-NH1 2.89Å; E114-R396 IonicContact OE2-NH2 2.66Å; E114-R396 PolarHBondContact OE2-NH2 3.19Å; L392-R396 HydrophobicContact CD1-CG 4.29Å; L392-R396 WeakPolarHBondContact O-CB 3.47Å; L392-R396 PolarHBondContact O-N 2.96Å; R393-R396 PolarHBondContact O-N 2.77Å
397	M	82	Confident	71.7	Confident	4 Å²	4	82.8 Å²	82.8	2%	0.02	41%	0.409	C	S	.	.	H	α-helix	trans	-103.5	7.5	-175.8	-57.8	-141.1	-75.6	0	0	113.7	P108 A257 R393 R399	P108-M397 HydrophobicContact CB-SD 3.82Å; P108-M397 HydrophobicContact CG-SD 4.02Å; A257-M397 HydrophobicContact CB-CE 4.32Å; R393-M397 VanDerWaalsContact CZ-CE 3.44Å; R393-M397 VanDerWaalsContact O-CB 3.29Å; R393-M397 WeakPolarHBondContact O-CB 3.3Å; R393-M397 PolarHBondContact O-N 3.23Å; M397-R399 HydrophobicContact CB-CG 4Å; M397-R399 VanDerWaalsContact O-CG 3.31Å; M397-R399 WeakPolarHBondContact O-CG 3.47Å; M397-R399 PolarHBondContact O-N 3.2Å
398	D	69.3	Low	69.3	Low	148 Å²	148	84.2 Å²	84.2	79%	0.791	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	41.6	178.1	-150.8	17.3	0	0	0	113	H394	H394-D398 PolarHBondContact O-N 2.69Å
399	R	58.1	Low	66.9	Low	47 Å²	47	88 Å²	88	18%	0.177	44%	0.442	C	S	.	.			trans	-106.4	123.2	-176.1	-61.3	-173.3	-179.6	-174	-2.9	109.5	A257 E261 H394 M397	A257-R399 PolarHBondContact O-NH1 3.1Å; E261-R399 IonicContact OE2-NH1 3.67Å; E261-R399 PolarHBondContact OE2-NH1 3.17Å; H394-R399 PolarHBondContact CE1-O 2.82Å; H394-R399 PolarHBondContact ND1-O 2.87Å; M397-R399 HydrophobicContact CB-CG 4Å; M397-R399 VanDerWaalsContact O-CG 3.31Å; M397-R399 WeakPolarHBondContact O-CG 3.47Å; M397-R399 PolarHBondContact O-N 3.2Å
400	K	47.8	Very low	64.4	Low	128 Å²	128	95.4 Å²	95.4	56%	0.557	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-62.8	140.1	174.2	-72.3	175.5	-174.9	143.2	0	111.7	D423	K400-D423 WeakPolarHBondContact CE-OD2 3.24Å; K400-D423 IonicContact NZ-OD1 3Å; K400-D423 IonicContact NZ-OD2 2.63Å; K400-D423 PolarHBondContact NZ-OD2 3.46Å
401	Q	48.1	Very low	61.4	Low	131 Å²	131	103 Å²	103	61%	0.612	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-60.6	129.7	166.9	-84.9	-175.5	-50.2	0	0	107.7	H394 E403	H394-Q401 PolarHBondContact CE1-N 3.32Å; H394-Q401 VanDerWaalsContact CE1-N 3.3Å; H394-Q401 PolarHBondContact ND1-N 3.48Å; Q401-E403 PolarHBondContact O-N 3.05Å; Q401-E403 VanDerWaalsContact O-N 3.14Å
402	P	49.9	Very low	58.4	Low	58 Å²	58	107.9 Å²	107.9	38%	0.377	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-62	120	169.5	21.5	-25.7	0	0	0	107.8	R265 N404	R265-P402 VanDerWaalsContact NH1-CG 3.31Å; P402-N404 PolarHBondContact O-N 2.79Å
403	E	44.5	Very low	55.6	Low	192 Å²	192	112.3 Å²	112.3	90%	0.897	56%	0.561	S	S	*	*	S	Bend	trans	-65.1	-4.7	-174	-71.4	-170.4	163.1	0	0	114.3	Q401	Q401-E403 PolarHBondContact O-N 3.05Å; Q401-E403 VanDerWaalsContact O-N 3.14Å
404	N	42.5	Very low	52.8	Low	131 Å²	131	121.5 Å²	121.5	70%	0.701	60%	0.604	S	S	*	*	S	Bend	trans	-124.3	113.8	178	-67.8	-13	0	0	0	110.3	P402	P402-N404 PolarHBondContact O-N 2.79Å
405	D	41.6	Very low	50.2	Low	123 Å²	123	127 Å²	127	66%	0.658	63%	0.627	S	S	*	*			trans	-58.2	142.3	161.2	-79.5	-37.9	0	0	0	109.4	N407	D405-N407 PolarHBondContact O-N 3.34Å
406	F	42.7	Very low	47.4	Very low	156 Å²	156	130.2 Å²	130.2	68%	0.684	64%	0.638	S	S	*	*			trans	-56.9	111	-178.7	-175.8	-93.9	0	0	0	110.1	P408	F406-P408 HydrophobicContact CD1-CG 4.04Å; F406-P408 HydrophobicContact CE1-CB 4.1Å; F406-P408 HydrophobicContact CE1-CG 4Å; F406-P408 WeakPolarHBondContact O-CD 3.46Å
407	N	43.9	Very low	44.8	Very low	85 Å²	85	134.4 Å²	134.4	46%	0.455	66%	0.662	S	S	.	*			trans	-91.6	110.2	167.2	-172.6	-2.9	0	0	0	108.1	D405 N409 E410	D405-N407 PolarHBondContact O-N 3.34Å; N407-N409 PolarHBondContact O-N 2.88Å; N407-N409 PolarHBondContact OD1-N 3.28Å; N407-E410 HydrophobicContact CB-CG 4.5Å; N407-E410 PolarHBondContact O-N 2.91Å
408	P	45.8	Very low	42.5	Very low	79 Å²	79	142 Å²	142	51%	0.513	70%	0.703	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.1	-12.2	-178.9	-19.5	30.4	0	0	0	114	F406	F406-P408 HydrophobicContact CD1-CG 4.04Å; F406-P408 HydrophobicContact CE1-CB 4.1Å; F406-P408 HydrophobicContact CE1-CG 4Å; F406-P408 WeakPolarHBondContact O-CD 3.46Å
409	N	47.5	Very low	41.1	Very low	145 Å²	145	144.3 Å²	144.3	78%	0.775	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	0	-178	-72.1	-23.9	0	0	0	115.3	N407 M411	N407-N409 PolarHBondContact O-N 2.88Å; N407-N409 PolarHBondContact OD1-N 3.28Å; N409-M411 VanDerWaalsContact C-N 3.3Å; N409-M411 PolarHBondContact O-N 3.39Å
410	E	42.2	Very low	39.9	Very low	156 Å²	156	151.1 Å²	151.1	73%	0.729	74%	0.737	S	S	*	*			trans	-92.7	29.5	176.2	-72.6	-171	171.9	0	0	113.8	N407 E412	N407-E410 HydrophobicContact CB-CG 4.5Å; N407-E410 PolarHBondContact O-N 2.91Å; E410-E412 PolarHBondContact O-N 3.1Å
411	M	33.8	Very low	39.3	Very low	179 Å²	179	151.2 Å²	151.2	88%	0.882	74%	0.743	S	S	*	*			trans	-76.5	54.7	164.7	-86.8	-162.7	72.1	0	0	111.4	N409	N409-M411 VanDerWaalsContact C-N 3.3Å; N409-M411 PolarHBondContact O-N 3.39Å
412	E	32.1	Very low	38.6	Very low	170 Å²	170	151.6 Å²	151.6	79%	0.794	75%	0.747	S	S	*	*	S	Bend	trans	-150.1	105.1	166.8	-114.1	170.5	-155.9	0	0	112.2	E410	E410-E412 PolarHBondContact O-N 3.1Å
413	S	34	Very low	38.5	Very low	108 Å²	108	152.9 Å²	152.9	76%	0.755	75%	0.751	S	S	*	*			trans	53	91.6	159	63.5	0	0	0	0	118.2
414	H	36.5	Very low	38.4	Very low	196 Å²	196	149 Å²	149	91%	0.907	73%	0.731	S	S	*	*			trans	-128	117.3	147.8	-94.9	-75.2	0	0	0	112.1
415	K	33.8	Very low	38.7	Very low	194 Å²	194	144.1 Å²	144.1	84%	0.843	71%	0.707	S	S	*	*			trans	-59.8	149.9	170.6	-70.8	171.5	175.8	173.6	0	110	E417	K415-E417 PolarHBondContact O-N 2.85Å; K415-E417 VanDerWaalsContact O-N 3.08Å
416	F	31.5	Very low	39	Very low	216 Å²	216	141.4 Å²	141.4	95%	0.947	70%	0.696	S	S	*	*			trans	-41.1	109.9	165.7	-90	-101.7	0	0	0	111.5
417	E	34	Very low	39.4	Very low	177 Å²	177	134.4 Å²	134.4	83%	0.827	67%	0.666	S	S	*	*			trans	-121.6	122.6	155.8	-85.4	-168.8	165.5	0	0	108.9	K415 K419	K415-E417 PolarHBondContact O-N 2.85Å; K415-E417 VanDerWaalsContact O-N 3.08Å; E417-K419 PolarHBondContact O-N 2.74Å
418	D	33.2	Very low	40	Very low	164 Å²	164	134.5 Å²	134.5	88%	0.877	66%	0.662	S	S	*	*			trans	-58	92.6	173.7	-81	-43	0	0	0	111.1	K420	D418-K420 PolarHBondContact O-N 2.98Å
419	K	39.3	Very low	40.5	Very low	195 Å²	195	132.1 Å²	132.1	85%	0.848	65%	0.645	S	S	*	*			trans	-87.9	100.1	157.7	-80.4	-174.5	178.7	178	0	108.9	E417 L421	E417-K419 PolarHBondContact O-N 2.74Å; K419-L421 VanDerWaalsContact C-N 3.27Å; K419-L421 PolarHBondContact O-N 2.85Å
420	K	33.1	Very low	41.3	Very low	191 Å²	191	129.2 Å²	129.2	83%	0.83	63%	0.627	S	S	*	*			trans	-61.7	89.7	159.9	-77.3	-178.9	177.5	176.5	0	109.2	D418	D418-K420 PolarHBondContact O-N 2.98Å
421	L	35	Very low	42.2	Very low	130 Å²	130	130.6 Å²	130.6	68%	0.681	63%	0.625	S	S	*	*			trans	-111.4	88.1	157.4	-140.7	84.8	0	0	0	106.4	K419 D423	K419-L421 VanDerWaalsContact C-N 3.27Å; K419-L421 PolarHBondContact O-N 2.85Å; L421-D423 PolarHBondContact O-N 3.43Å
422	I	34.2	Very low	43.4	Very low	138 Å²	138	126.2 Å²	126.2	71%	0.708	60%	0.602	S	S	*	*			trans	-85.8	77.5	170.7	-55.3	173.9	0	0	0	105.9	K424	I422-K424 HydrophobicContact CG2-CG 4.43Å
423	D	46.9	Very low	45	Very low	85 Å²	85	119.7 Å²	119.7	46%	0.455	57%	0.574	S	S	.	*			trans	-83.5	112.2	154	-89.6	-31.3	0	0	0	105.2	K400 L421 P425	K400-D423 WeakPolarHBondContact CE-OD2 3.24Å; K400-D423 IonicContact NZ-OD1 3Å; K400-D423 IonicContact NZ-OD2 2.63Å; K400-D423 PolarHBondContact NZ-OD2 3.46Å; L421-D423 PolarHBondContact O-N 3.43Å; D423-P425 WeakPolarHBondContact O-CD 3.36Å
424	K	43.8	Very low	46.4	Very low	110 Å²	110	115.2 Å²	115.2	48%	0.478	54%	0.544	S	S	.	.			trans	-62.9	122.9	177.7	-74.1	176.8	175.2	179.5	0	106.7	I422 F428 E430	I422-K424 HydrophobicContact CG2-CG 4.43Å; K424-F428 HydrophobicContact CB-CB 3.82Å; K424-F428 HydrophobicContact CB-CD1 4.07Å; K424-F428 HydrophobicContact CB-CD2 4.46Å; K424-F428 HydrophobicContact CB-CG 3.87Å; K424-F428 HydrophobicContact CD-CD1 3.56Å; K424-F428 HydrophobicContact CD-CE1 3.84Å; K424-F428 HydrophobicContact CD-CG 4.24Å; K424-F428 HydrophobicContact CG-CB 4.39Å; K424-F428 HydrophobicContact CG-CD1 3.68Å; K424-F428 HydrophobicContact CG-CD2 4.38Å; K424-F428 HydrophobicContact CG-CE1 3.96Å; K424-F428 HydrophobicContact CG-CG 3.9Å; K424-F428 HydrophobicContact CG-CZ 4.43Å; K424-E430 IonicContact NZ-OE1 3.26Å; K424-E430 PolarHBondContact NZ-OE1 3.45Å
425	P	47.2	Very low	47.7	Very low	30 Å²	30	111 Å²	111	20%	0.195	52%	0.524	C	S	.	.			trans	-55.2	151.2	174.9	19.8	-30.1	0	0	0	109.7	D423 T427 F428	D423-P425 WeakPolarHBondContact O-CD 3.36Å; P425-T427 PolarHBondContact O-N 3.38Å; P425-F428 HydrophobicContact CG-CB 3.95Å; P425-F428 HydrophobicContact CG-CD2 4.25Å; P425-F428 WeakPolarHBondContact O-CB 3.23Å; P425-F428 PolarHBondContact O-N 2.85Å
426	P	48	Very low	49.2	Very low	65 Å²	65	106.8 Å²	106.8	42%	0.422	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-10.4	178.6	19.6	-30.1	0	0	0	113.6
427	T	50.9	Low	50.4	Low	9 Å²	9	96.6 Å²	96.6	6%	0.055	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	17.7	175.9	48.9	0	0	0	0	113.5	Q101 S250 L253 P425 I429	Q101-T427 VanDerWaalsContact NE2-CB 3.32Å; S250-T427 WeakPolarHBondContact CB-O 3.37Å; S250-T427 VanDerWaalsContact OG-CB 3.3Å; S250-T427 WeakPolarHBondContact OG-CB 3.46Å; S250-T427 PolarHBondContact OG-O 3.47Å; S250-T427 PolarHBondContact OG-OG1 3.38Å; L253-T427 HydrophobicContact CD1-CG2 3.94Å; P425-T427 PolarHBondContact O-N 3.38Å; T427-I429 PolarHBondContact O-N 3.33Å
428	F	56.5	Low	51.9	Low	87 Å²	87	92.9 Å²	92.9	38%	0.382	45%	0.447	S	S	.	.			trans	-70.6	115.8	-178.9	-174.5	-99.9	0	0	0	111.1	K424 P425 E430	K424-F428 HydrophobicContact CB-CB 3.82Å; K424-F428 HydrophobicContact CB-CD1 4.07Å; K424-F428 HydrophobicContact CB-CD2 4.46Å; K424-F428 HydrophobicContact CB-CG 3.87Å; K424-F428 HydrophobicContact CD-CD1 3.56Å; K424-F428 HydrophobicContact CD-CE1 3.84Å; K424-F428 HydrophobicContact CD-CG 4.24Å; K424-F428 HydrophobicContact CG-CB 4.39Å; K424-F428 HydrophobicContact CG-CD1 3.68Å; K424-F428 HydrophobicContact CG-CD2 4.38Å; K424-F428 HydrophobicContact CG-CE1 3.96Å; K424-F428 HydrophobicContact CG-CG 3.9Å; K424-F428 HydrophobicContact CG-CZ 4.43Å; P425-F428 HydrophobicContact CG-CB 3.95Å; P425-F428 HydrophobicContact CG-CD2 4.25Å; P425-F428 WeakPolarHBondContact O-CB 3.23Å; P425-F428 PolarHBondContact O-N 2.85Å; F428-E430 PolarHBondContact O-N 3.41Å
429	I	58	Low	53	Low	30 Å²	30	89.6 Å²	89.6	15%	0.154	44%	0.443	C	S	.	.			trans	-72.1	116.6	169.6	-53.8	158.5	0	0	0	107.1	L246 T427 R431 V433	L246-I429 HydrophobicContact CB-CD1 3.29Å; L246-I429 HydrophobicContact CB-CG1 4.05Å; L246-I429 HydrophobicContact CD1-CD1 4.43Å; L246-I429 HydrophobicContact CG-CD1 4.42Å; T427-I429 PolarHBondContact O-N 3.33Å; I429-R431 PolarHBondContact O-N 2.91Å; I429-V433 HydrophobicContact CG2-CB 4.02Å; I429-V433 HydrophobicContact CG2-CG1 4.06Å
430	E	63.2	Low	53.7	Low	83 Å²	83	84.4 Å²	84.4	39%	0.388	42%	0.422	S	S	.	.			trans	-60.9	138.7	-179.8	-61.2	-142.3	123.2	0	0	111.5	K424 F428 H432 V433 A434	K424-E430 IonicContact NZ-OE1 3.26Å; K424-E430 PolarHBondContact NZ-OE1 3.45Å; F428-E430 PolarHBondContact O-N 3.41Å; E430-H432 VanDerWaalsContact CB-ND1 3.33Å; E430-H432 WeakPolarHBondContact CB-ND1 3.49Å; E430-H432 PolarHBondContact O-N 2.82Å; E430-H432 IonicContact OE2-CE1 2.71Å; E430-H432 PolarHBondContact OE2-CE1 2.85Å; E430-H432 IonicContact OE2-ND1 3.56Å; E430-H432 PolarHBondContact OE2-ND1 2.87Å; E430-V433 HydrophobicContact CB-CG2 4.22Å; E430-V433 WeakPolarHBondContact O-CA 3.2Å; E430-V433 VanDerWaalsContact O-CB 3.29Å; E430-V433 WeakPolarHBondContact O-CB 3.36Å; E430-V433 PolarHBondContact O-N 3.3Å; E430-A434 PolarHBondContact O-N 3.05Å; E430-A434 VanDerWaalsContact O-N 3.13Å
431	R	60.2	Low	54.8	Low	186 Å²	186	78.7 Å²	78.7	70%	0.702	40%	0.401	S	S	*	.	H	α-helix	trans	-51.7	-35.7	-177.5	-176.6	177.4	176.4	156.2	4.7	113.1	I429 V433 A434 E435	I429-R431 PolarHBondContact O-N 2.91Å; R431-V433 VanDerWaalsContact C-N 3.28Å; R431-V433 PolarHBondContact O-N 2.94Å; R431-A434 WeakPolarHBondContact O-CB 3.47Å; R431-A434 PolarHBondContact O-N 2.81Å; R431-E435 HydrophobicContact CG-CG 4.32Å; R431-E435 WeakPolarHBondContact CG-OE1 3.36Å; R431-E435 IonicContact CZ-OE1 2.63Å; R431-E435 IonicContact NE-OE1 3.08Å; R431-E435 PolarHBondContact NE-OE1 2.91Å; R431-E435 IonicContact NH2-OE1 3.96Å; R431-E435 WeakPolarHBondContact O-CB 3.38Å; R431-E435 WeakPolarHBondContact O-CG 3.5Å; R431-E435 PolarHBondContact O-N 3.13Å
432	H	60.6	Low	55.9	Low	86 Å²	86	75.9 Å²	75.9	40%	0.398	39%	0.385	S	S	.	.	H	α-helix	trans	-66.9	-29.5	177.9	80.7	-96.8	0	0	0	112.7	E430 K436	E430-H432 VanDerWaalsContact CB-ND1 3.33Å; E430-H432 WeakPolarHBondContact CB-ND1 3.49Å; E430-H432 PolarHBondContact O-N 2.82Å; E430-H432 IonicContact OE2-CE1 2.71Å; E430-H432 PolarHBondContact OE2-CE1 2.85Å; E430-H432 IonicContact OE2-ND1 3.56Å; E430-H432 PolarHBondContact OE2-ND1 2.87Å; H432-K436 WeakPolarHBondContact O-CB 3.36Å; H432-K436 WeakPolarHBondContact O-CG 3.38Å; H432-K436 PolarHBondContact O-N 3.23Å; H432-K436 VanDerWaalsContact O-N 3.1Å
433	V	66.1	Low	57.1	Low	34 Å²	34	72.2 Å²	72.2	21%	0.206	37%	0.366	C	S	.	.	H	α-helix	trans	-73.8	-43	173.6	-178.1	0	0	0	0	109.3	A97 I429 E430 R431 K436 L437	A97-V433 HydrophobicContact CB-CG1 3.74Å; I429-V433 HydrophobicContact CG2-CB 4.02Å; I429-V433 HydrophobicContact CG2-CG1 4.06Å; E430-V433 HydrophobicContact CB-CG2 4.22Å; E430-V433 WeakPolarHBondContact O-CA 3.2Å; E430-V433 VanDerWaalsContact O-CB 3.29Å; E430-V433 WeakPolarHBondContact O-CB 3.36Å; E430-V433 PolarHBondContact O-N 3.3Å; R431-V433 VanDerWaalsContact C-N 3.28Å; R431-V433 PolarHBondContact O-N 2.94Å; V433-K436 PolarHBondContact O-N 3.31Å; V433-L437 HydrophobicContact CG1-CD1 3.97Å; V433-L437 HydrophobicContact CG1-CG 4.37Å; V433-L437 VanDerWaalsContact O-CG 3.28Å; V433-L437 WeakPolarHBondContact O-CG 3.23Å; V433-L437 PolarHBondContact O-N 3.43Å
434	A	61.6	Low	57.8	Low	14 Å²	14	71.4 Å²	71.4	12%	0.116	36%	0.361	C	S	.	.	H	α-helix	trans	-60.1	-46.8	175	0	0	0	0	0	112.3	Y243 E430 R431 K436 L437 L438	Y243-A434 HydrophobicContact CD2-CB 4.34Å; Y243-A434 HydrophobicContact CE2-CB 3.53Å; E430-A434 PolarHBondContact O-N 3.05Å; E430-A434 VanDerWaalsContact O-N 3.13Å; R431-A434 WeakPolarHBondContact O-CB 3.47Å; R431-A434 PolarHBondContact O-N 2.81Å; A434-K436 VanDerWaalsContact C-N 3.33Å; A434-K436 PolarHBondContact O-N 2.93Å; A434-L437 PolarHBondContact O-N 2.87Å; A434-L438 WeakPolarHBondContact O-CG 3.08Å; A434-L438 PolarHBondContact O-N 2.95Å
435	E	64	Low	58.7	Low	107 Å²	107	68.9 Å²	68.9	50%	0.5	35%	0.353	S	S	.	.	H	α-helix	trans	-65.3	-36.5	178.3	-74.6	172.9	-178.3	0	0	111.8	R431 A439	R431-E435 HydrophobicContact CG-CG 4.32Å; R431-E435 WeakPolarHBondContact CG-OE1 3.36Å; R431-E435 IonicContact CZ-OE1 2.63Å; R431-E435 IonicContact NE-OE1 3.08Å; R431-E435 PolarHBondContact NE-OE1 2.91Å; R431-E435 IonicContact NH2-OE1 3.96Å; R431-E435 WeakPolarHBondContact O-CB 3.38Å; R431-E435 WeakPolarHBondContact O-CG 3.5Å; R431-E435 PolarHBondContact O-N 3.13Å; E435-A439 WeakPolarHBondContact O-CB 3.47Å; E435-A439 PolarHBondContact O-N 3.22Å
436	K	67	Low	59.5	Low	105 Å²	105	71.6 Å²	71.6	46%	0.457	36%	0.364	S	S	.	.	H	α-helix	trans	-66.3	-48.7	172.7	-77.5	174.8	-178.9	-177.5	0	111.1	M90 L93 H432 V433 A434 L438 A439	M90-K436 HydrophobicContact CE-CB 4.13Å; M90-K436 WeakPolarHBondContact CE-O 3.49Å; L93-K436 HydrophobicContact CD1-CD 4.34Å; H432-K436 WeakPolarHBondContact O-CB 3.36Å; H432-K436 WeakPolarHBondContact O-CG 3.38Å; H432-K436 PolarHBondContact O-N 3.23Å; H432-K436 VanDerWaalsContact O-N 3.1Å; V433-K436 PolarHBondContact O-N 3.31Å; A434-K436 VanDerWaalsContact C-N 3.33Å; A434-K436 PolarHBondContact O-N 2.93Å; K436-L438 VanDerWaalsContact C-N 3.26Å; K436-L438 PolarHBondContact O-N 3Å; K436-A439 PolarHBondContact O-N 2.88Å
437	L	56.2	Low	60.4	Low	3 Å²	3	72.2 Å²	72.2	2%	0.016	36%	0.36	C	S	.	.	H	α-helix	trans	-64.5	-31.1	-174.4	-68.2	173.2	0	0	0	114.2	R239 Y243 L246 V433 A434	R239-L437 PolarHBondContact NE-O 3.36Å; R239-L437 VanDerWaalsContact NE-O 3.15Å; Y243-L437 HydrophobicContact CD2-CD1 4.45Å; L246-L437 HydrophobicContact CD1-CD1 4.25Å; V433-L437 HydrophobicContact CG1-CD1 3.97Å; V433-L437 HydrophobicContact CG1-CG 4.37Å; V433-L437 VanDerWaalsContact O-CG 3.28Å; V433-L437 WeakPolarHBondContact O-CG 3.23Å; V433-L437 PolarHBondContact O-N 3.43Å; A434-L437 PolarHBondContact O-N 2.87Å
438	L	64.7	Low	61.2	Low	98 Å²	98	77.4 Å²	77.4	51%	0.513	39%	0.385	S	S	.	.	H	α-helix	trans	-91	-10.1	-178.9	-65.2	172.5	0	0	0	114.1	Y243 A434 K436	Y243-L438 HydrophobicContact CD1-CD1 4.25Å; Y243-L438 HydrophobicContact CD1-CD2 3.96Å; Y243-L438 HydrophobicContact CD1-CG 4.34Å; Y243-L438 HydrophobicContact CE1-CD1 3.94Å; Y243-L438 HydrophobicContact CE1-CD2 4.41Å; Y243-L438 HydrophobicContact CE2-CD1 4.43Å; Y243-L438 HydrophobicContact CG-CD2 4.27Å; Y243-L438 HydrophobicContact CG-CG 4.41Å; A434-L438 WeakPolarHBondContact O-CG 3.08Å; A434-L438 PolarHBondContact O-N 2.95Å; K436-L438 VanDerWaalsContact C-N 3.26Å; K436-L438 PolarHBondContact O-N 3Å
439	A	56.5	Low	61.6	Low	96 Å²	96	76.5 Å²	76.5	79%	0.793	39%	0.386	S	S	*	.			trans	-83.9	0	168.7	0	0	0	0	0	110.6	R239 E435 K436	R239-A439 PolarHBondContact NH2-OXT 3.46Å; E435-A439 WeakPolarHBondContact O-CB 3.47Å; E435-A439 PolarHBondContact O-N 3.22Å; K436-A439 PolarHBondContact O-N 2.88Å

Retrieved 439 of 439 residues in 299.8 ms (Link to these results)

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