A0A060XMA3_ONCMY Loading...

Centromere protein S

AlphaFold DB , UniProt , Accession A0A060XMA3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene cenps, Length 139 aa.

						>A0A060XMA3_ONCMY|A0A060XMA3|cenps
MLSTTSCLANVNCREKMPTAMDEEERKLQRLKAAVHYTVGRLCQSIGEDHQKEFSRQVIAAIAETTFRQCDIFAKDLEAFARHAKRSTVSVEDVKLTARRSTALANFIQRKSEEIASANQEQRDTRKKIAGKRKNTEMV
					

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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	37.7	Very low	46.3	Very low	228 Å²	228	133 Å²	133	100%	1.123	80%	0.798	S	S	*	*				0	100	0	-61.6	-172.8	-169.3	0	0	106.3
2	L	42.3	Very low	46.9	Very low	171 Å²	171	130.8 Å²	130.8	90%	0.895	78%	0.779	S	S	*	*				51.4	113.8	109.2	-71.6	124.2	0	0	0	110.8
3	S	37.6	Very low	47	Very low	109 Å²	109	128.5 Å²	128.5	76%	0.762	77%	0.771	S	S	*	*			cis	-162.5	143.7	45.7	-163.7	0	0	0	0	112.1
4	T	49.6	Very low	47	Very low	115 Å²	115	133.7 Å²	133.7	71%	0.706	77%	0.77	S	S	*	*			trans	-64.3	173.4	158.9	36.4	0	0	0	0	113.1
5	T	51.8	Low	47.6	Very low	138 Å²	138	136.2 Å²	136.2	85%	0.847	77%	0.772	S	S	*	*			trans	80.6	139.2	165.2	66.6	0	0	0	0	115.2
6	S	45.9	Very low	48.3	Very low	102 Å²	102	139.8 Å²	139.8	71%	0.713	78%	0.777	S	S	*	*			cis	-157.5	126.6	31.5	171.5	0	0	0	0	107.8
7	C	40.3	Very low	48.7	Very low	110 Å²	110	141.3 Å²	141.3	74%	0.743	78%	0.779	S	S	*	*				60.2	120.8	88.4	-97	0	0	0	0	114.8
8	L	48.2	Very low	49.4	Very low	148 Å²	148	137.8 Å²	137.8	78%	0.775	76%	0.764	S	S	*	*			trans	88.7	75.6	147.4	-52.5	168.6	0	0	0	119	N10	L8-N10 PolarHBondContact O-N 2.74Å; L8-N10 VanDerWaalsContact O-N 3.1Å
9	A	48.1	Very low	50.4	Low	101 Å²	101	134.7 Å²	134.7	84%	0.835	75%	0.749	S	S	*	*			trans	-75.4	82.4	136.9	0	0	0	0	0	107.6	V11	A9-V11 PolarHBondContact O-N 3.27Å
10	N	51	Low	51.3	Low	122 Å²	122	132 Å²	132	65%	0.652	75%	0.745	S	S	*	*			trans	-64.8	85.8	167.2	-167	43.7	0	0	0	107.4	L8 N12	L8-N10 PolarHBondContact O-N 2.74Å; L8-N10 VanDerWaalsContact O-N 3.1Å; N10-N12 PolarHBondContact O-N 3.35Å
11	V	56.8	Low	52.1	Low	119 Å²	119	133 Å²	133	72%	0.721	75%	0.745	S	S	*	*			trans	-66.2	91.3	159.2	179.4	0	0	0	0	104.4	A9 C13	A9-V11 PolarHBondContact O-N 3.27Å; V11-C13 PolarHBondContact O-N 3.27Å
12	N	53.3	Low	54.4	Low	107 Å²	107	125.1 Å²	125.1	57%	0.572	71%	0.708	S	S	*	*			trans	-63.8	82.4	167.7	-166.6	26.2	0	0	0	106.1	N10 R14	N10-N12 PolarHBondContact O-N 3.35Å; N12-R14 PolarHBondContact O-N 2.84Å
13	C	48.5	Very low	56.7	Low	101 Å²	101	122.8 Å²	122.8	68%	0.682	69%	0.692	S	S	*	*			trans	-59.7	73.1	150.5	-76.3	0	0	0	0	105.8	V11 E15	V11-C13 PolarHBondContact O-N 3.27Å; C13-E15 PolarHBondContact O-N 2.87Å
14	R	46.5	Very low	59.3	Low	201 Å²	201	122.9 Å²	122.9	76%	0.758	68%	0.681	S	S	*	*			trans	-72.4	78.4	163.5	-170.1	166.9	174.2	176.9	-2.5	104.1	N12 K16	N12-R14 PolarHBondContact O-N 2.84Å; R14-K16 PolarHBondContact O-N 3.22Å
15	E	56.5	Low	61.4	Low	171 Å²	171	122.9 Å²	122.9	80%	0.799	67%	0.673	S	S	*	*			trans	-47.2	101.2	160.3	-68.8	-179.4	139.2	0	0	104.8	C13 M17	C13-E15 PolarHBondContact O-N 2.87Å; E15-M17 PolarHBondContact O-N 3.32Å
16	K	59.2	Low	63.4	Low	194 Å²	194	122.2 Å²	122.2	84%	0.843	66%	0.655	S	S	*	*			trans	-61.4	102.4	168.4	-87.5	-175.5	174.2	-177.3	0	103.8	R14 P18	R14-K16 PolarHBondContact O-N 3.22Å; K16-P18 WeakPolarHBondContact O-CD 3.43Å; K16-P18 VanDerWaalsContact O-N 3.14Å
17	M	55.3	Low	65.8	Low	165 Å²	165	121.8 Å²	121.8	81%	0.813	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-53.6	123.6	169.8	-75.5	-153.7	108.1	0	0	106.4	E15 T19	E15-M17 PolarHBondContact O-N 3.32Å; M17-T19 PolarHBondContact O-N 2.83Å; M17-T19 VanDerWaalsContact O-N 3.09Å
18	P	60	Low	68.4	Low	79 Å²	79	120 Å²	120	51%	0.513	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-57.7	122.7	179.2	20.4	-28.8	0	0	0	107.9	K16 R26	K16-P18 WeakPolarHBondContact O-CD 3.43Å; K16-P18 VanDerWaalsContact O-N 3.14Å; P18-R26 VanDerWaalsContact CB-NH2 3.29Å
19	T	68.9	Low	70.7	Confident	78 Å²	78	118.1 Å²	118.1	48%	0.479	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-71	153.3	174.1	66.3	0	0	0	0	108.3	M17 M21 D22 E23	M17-T19 PolarHBondContact O-N 2.83Å; M17-T19 VanDerWaalsContact O-N 3.09Å; T19-M21 PolarHBondContact O-N 3.12Å; T19-D22 WeakPolarHBondContact CB-OD2 3.34Å; T19-D22 PolarHBondContact N-OD2 2.71Å; T19-D22 WeakPolarHBondContact O-CA 3.38Å; T19-D22 WeakPolarHBondContact O-CB 3.37Å; T19-D22 PolarHBondContact O-N 3.43Å; T19-D22 VanDerWaalsContact OG1-CG 3.26Å; T19-D22 PolarHBondContact OG1-OD2 3.1Å; T19-E23 PolarHBondContact O-N 3.45Å
20	A	69.1	Low	73.1	Confident	81 Å²	81	122 Å²	122	67%	0.669	60%	0.603	S	S	*	*	H	α-helix	trans	-54.2	-29.2	179.7	0	0	0	0	0	112.8	E23 E24	A20-E23 PolarHBondContact O-N 3.48Å; A20-E24 PolarHBondContact O-N 3.09Å
21	M	68.4	Low	75.3	Confident	152 Å²	152	120.3 Å²	120.3	75%	0.749	59%	0.594	S	S	*	*	H	α-helix	trans	-63.7	-41.1	172.9	-70.4	-62.8	-61.1	0	0	112.7	T19 E23 E25	T19-M21 PolarHBondContact O-N 3.12Å; M21-E23 VanDerWaalsContact C-N 3.27Å; M21-E23 PolarHBondContact O-N 3.45Å; M21-E25 PolarHBondContact O-N 3.05Å
22	D	85.1	Confident	77.3	Confident	64 Å²	64	117.1 Å²	117.1	34%	0.342	57%	0.57	S	S	.	*	H	α-helix	trans	-68.6	-28	178.6	-55.8	-55.9	0	0	0	111.7	T19 R26	T19-D22 WeakPolarHBondContact CB-OD2 3.34Å; T19-D22 PolarHBondContact N-OD2 2.71Å; T19-D22 WeakPolarHBondContact O-CA 3.38Å; T19-D22 WeakPolarHBondContact O-CB 3.37Å; T19-D22 PolarHBondContact O-N 3.43Å; T19-D22 VanDerWaalsContact OG1-CG 3.26Å; T19-D22 PolarHBondContact OG1-OD2 3.1Å; D22-R26 VanDerWaalsContact CB-NH1 3.27Å; D22-R26 WeakPolarHBondContact O-CB 3.49Å; D22-R26 VanDerWaalsContact O-CG 3.27Å; D22-R26 WeakPolarHBondContact O-CG 3.48Å; D22-R26 PolarHBondContact O-N 3.02Å; D22-R26 PolarHBondContact O-NH1 2.93Å
23	E	91.1	Very high	79.4	Confident	121 Å²	121	114.9 Å²	114.9	57%	0.565	57%	0.566	S	S	*	*	H	α-helix	trans	-75.3	-45.1	-180	-171.4	164.9	-171.3	0	0	112.9	T19 A20 M21 E25 R26 K27	T19-E23 PolarHBondContact O-N 3.45Å; A20-E23 PolarHBondContact O-N 3.48Å; M21-E23 VanDerWaalsContact C-N 3.27Å; M21-E23 PolarHBondContact O-N 3.45Å; E23-E25 VanDerWaalsContact C-N 3.31Å; E23-E25 PolarHBondContact O-N 2.91Å; E23-R26 PolarHBondContact O-N 3.43Å; E23-K27 WeakPolarHBondContact O-CB 3.48Å; E23-K27 PolarHBondContact O-N 3.34Å
24	E	91.6	Very high	81.8	Confident	111 Å²	111	112.6 Å²	112.6	52%	0.519	56%	0.555	S	S	.	*	H	α-helix	trans	-64.7	-36.9	174.5	-78.5	-64.1	133.6	0	0	111.4	A20 K27 L28	A20-E24 PolarHBondContact O-N 3.09Å; E24-K27 PolarHBondContact O-N 2.93Å; E24-K27 IonicContact OE1-NZ 2.92Å; E24-K27 PolarHBondContact OE1-NZ 2.89Å; E24-K27 IonicContact OE2-NZ 3.52Å; E24-L28 VanDerWaalsContact O-CB 3.3Å; E24-L28 WeakPolarHBondContact O-CB 3.28Å; E24-L28 PolarHBondContact O-N 2.97Å
25	E	93.4	Very high	84.3	Confident	116 Å²	116	104.7 Å²	104.7	54%	0.542	53%	0.529	S	S	.	.	H	α-helix	trans	-64.4	-44.9	173.6	-173.4	168.1	-152.3	0	0	112	M21 E23 K27 L28 Q29	M21-E25 PolarHBondContact O-N 3.05Å; E23-E25 VanDerWaalsContact C-N 3.31Å; E23-E25 PolarHBondContact O-N 2.91Å; E25-K27 VanDerWaalsContact C-N 3.32Å; E25-K27 PolarHBondContact O-N 3.27Å; E25-L28 WeakPolarHBondContact O-CB 3.46Å; E25-L28 PolarHBondContact O-N 3.03Å; E25-Q29 VanDerWaalsContact O-CG 3.32Å; E25-Q29 WeakPolarHBondContact O-CG 3.38Å; E25-Q29 PolarHBondContact O-N 3.4Å
26	R	94.4	Very high	86.3	Confident	124 Å²	124	100.5 Å²	100.5	47%	0.468	51%	0.509	S	S	.	.	H	α-helix	trans	-59.4	-42.5	174.6	-79.1	-172	-58.3	-87.8	0.9	112.2	P18 D22 E23 Q29 R30	P18-R26 VanDerWaalsContact CB-NH2 3.29Å; D22-R26 VanDerWaalsContact CB-NH1 3.27Å; D22-R26 WeakPolarHBondContact O-CB 3.49Å; D22-R26 VanDerWaalsContact O-CG 3.27Å; D22-R26 WeakPolarHBondContact O-CG 3.48Å; D22-R26 PolarHBondContact O-N 3.02Å; D22-R26 PolarHBondContact O-NH1 2.93Å; E23-R26 PolarHBondContact O-N 3.43Å; R26-Q29 PolarHBondContact O-N 3.3Å; R26-R30 PolarHBondContact O-N 2.99Å
27	K	95.5	Very high	88.2	Confident	92 Å²	92	98.5 Å²	98.5	40%	0.4	50%	0.498	S	S	.	.	H	α-helix	trans	-64.2	-43	177.1	-179.6	-175.2	173.2	-166.1	0	111.2	E23 E24 E25 R30 L31	E23-K27 WeakPolarHBondContact O-CB 3.48Å; E23-K27 PolarHBondContact O-N 3.34Å; E24-K27 PolarHBondContact O-N 2.93Å; E24-K27 IonicContact OE1-NZ 2.92Å; E24-K27 PolarHBondContact OE1-NZ 2.89Å; E24-K27 IonicContact OE2-NZ 3.52Å; E25-K27 VanDerWaalsContact C-N 3.32Å; E25-K27 PolarHBondContact O-N 3.27Å; K27-R30 WeakPolarHBondContact O-CB 3.48Å; K27-R30 PolarHBondContact O-N 3.41Å; K27-L31 WeakPolarHBondContact O-CG 3.26Å; K27-L31 PolarHBondContact O-N 2.9Å
28	L	95.9	Very high	90.2	Very high	74 Å²	74	94.2 Å²	94.2	39%	0.387	48%	0.481	S	S	.	.	H	α-helix	trans	-60.1	-46.7	175.7	-177.2	64.5	0	0	0	111.2	E24 E25 R30 L31 K32 F67	E24-L28 VanDerWaalsContact O-CB 3.3Å; E24-L28 WeakPolarHBondContact O-CB 3.28Å; E24-L28 PolarHBondContact O-N 2.97Å; E25-L28 WeakPolarHBondContact O-CB 3.46Å; E25-L28 PolarHBondContact O-N 3.03Å; L28-R30 VanDerWaalsContact C-N 3.32Å; L28-R30 PolarHBondContact O-N 2.84Å; L28-L31 PolarHBondContact O-N 3.19Å; L28-K32 PolarHBondContact O-N 3.23Å; L28-F67 HydrophobicContact CD1-CE1 3.68Å; L28-F67 HydrophobicContact CD1-CZ 3.39Å
29	Q	96.6	Very high	92.1	Very high	107 Å²	107	91 Å²	91	50%	0.5	46%	0.46	S	S	.	.	H	α-helix	trans	-60.1	-41.8	176.3	-70.2	-63.1	-16.6	0	0	111.9	E25 R26 L31 K32 A33	E25-Q29 VanDerWaalsContact O-CG 3.32Å; E25-Q29 WeakPolarHBondContact O-CG 3.38Å; E25-Q29 PolarHBondContact O-N 3.4Å; R26-Q29 PolarHBondContact O-N 3.3Å; Q29-L31 VanDerWaalsContact C-N 3.35Å; Q29-L31 PolarHBondContact O-N 3.41Å; Q29-K32 PolarHBondContact O-N 3.07Å; Q29-A33 WeakPolarHBondContact O-CB 3.5Å; Q29-A33 PolarHBondContact O-N 3.49Å
30	R	97.8	Very high	93.5	Very high	182 Å²	182	88.2 Å²	88.2	69%	0.687	45%	0.446	S	S	*	.	H	α-helix	trans	-61.4	-42.1	175.7	-170.9	177.7	70.1	-179.2	1.2	112.2	R26 K27 L28 A33 A34	R26-R30 PolarHBondContact O-N 2.99Å; K27-R30 WeakPolarHBondContact O-CB 3.48Å; K27-R30 PolarHBondContact O-N 3.41Å; L28-R30 VanDerWaalsContact C-N 3.32Å; L28-R30 PolarHBondContact O-N 2.84Å; R30-A33 PolarHBondContact O-N 3.49Å; R30-A34 PolarHBondContact O-N 3.45Å
31	L	98.1	Very high	94.9	Very high	87 Å²	87	91.2 Å²	91.2	46%	0.455	44%	0.44	S	S	.	.	H	α-helix	trans	-66.4	-45	177	-68.5	171.8	0	0	0	111.6	K27 L28 Q29 A33 A34 V35 F67	K27-L31 WeakPolarHBondContact O-CG 3.26Å; K27-L31 PolarHBondContact O-N 2.9Å; L28-L31 PolarHBondContact O-N 3.19Å; Q29-L31 VanDerWaalsContact C-N 3.35Å; Q29-L31 PolarHBondContact O-N 3.41Å; L31-A33 VanDerWaalsContact C-N 3.32Å; L31-A33 PolarHBondContact O-N 3.47Å; L31-A34 PolarHBondContact O-N 3.02Å; L31-V35 WeakPolarHBondContact O-CG2 3.43Å; L31-V35 PolarHBondContact O-N 3.38Å; L31-F67 HydrophobicContact CB-CE2 3.99Å
32	K	98.1	Very high	96.3	Very high	52 Å²	52	88.9 Å²	88.9	23%	0.226	43%	0.43	C	S	.	.	H	α-helix	trans	-58.9	-43.1	175.2	-75.8	-169.7	170.3	-147.3	0	111.8	L28 Q29 V35 H36 E64 F67	L28-K32 PolarHBondContact O-N 3.23Å; Q29-K32 PolarHBondContact O-N 3.07Å; K32-V35 PolarHBondContact O-N 3.43Å; K32-H36 WeakPolarHBondContact O-CB 3.33Å; K32-H36 PolarHBondContact O-N 2.64Å; K32-E64 VanDerWaalsContact NZ-CD 3.28Å; K32-E64 IonicContact NZ-OE1 2.88Å; K32-E64 PolarHBondContact NZ-OE1 3.46Å; K32-E64 IonicContact NZ-OE2 2.84Å; K32-E64 PolarHBondContact NZ-OE2 3.38Å; K32-F67 HydrophobicContact CG-CD1 4.09Å; K32-F67 HydrophobicContact CG-CD2 3.75Å; K32-F67 HydrophobicContact CG-CE1 4.07Å; K32-F67 HydrophobicContact CG-CE2 3.72Å; K32-F67 HydrophobicContact CG-CG 3.96Å; K32-F67 HydrophobicContact CG-CZ 3.91Å
33	A	98.1	Very high	96.9	Very high	60 Å²	60	86.2 Å²	86.2	50%	0.496	42%	0.416	S	S	.	.	H	α-helix	trans	-62.5	-42.5	176.7	0	0	0	0	0	112.4	Q29 R30 L31 H36 Y37	Q29-A33 WeakPolarHBondContact O-CB 3.5Å; Q29-A33 PolarHBondContact O-N 3.49Å; R30-A33 PolarHBondContact O-N 3.49Å; L31-A33 VanDerWaalsContact C-N 3.32Å; L31-A33 PolarHBondContact O-N 3.47Å; A33-H36 PolarHBondContact O-N 2.9Å; A33-Y37 WeakPolarHBondContact O-CB 3.37Å; A33-Y37 PolarHBondContact O-N 2.9Å
34	A	98.5	Very high	97.2	Very high	54 Å²	54	85 Å²	85	45%	0.446	41%	0.411	S	S	.	.	H	α-helix	trans	-63.8	-41.2	176.8	0	0	0	0	0	112.5	R30 L31 T38	R30-A34 PolarHBondContact O-N 3.45Å; L31-A34 PolarHBondContact O-N 3.02Å; A34-T38 PolarHBondContact O-N 2.98Å; A34-T38 VanDerWaalsContact O-N 3.13Å; A34-T38 PolarHBondContact O-OG1 3.1Å
35	V	98.4	Very high	97.5	Very high	35 Å²	35	82.4 Å²	82.4	21%	0.212	41%	0.405	C	S	.	.	H	α-helix	trans	-63.6	-47.9	173.8	171.9	0	0	0	0	110.4	L31 K32 Y37 T38 V39 T66 F67	L31-V35 WeakPolarHBondContact O-CG2 3.43Å; L31-V35 PolarHBondContact O-N 3.38Å; K32-V35 PolarHBondContact O-N 3.43Å; V35-Y37 VanDerWaalsContact C-N 3.34Å; V35-Y37 PolarHBondContact O-N 3.4Å; V35-T38 PolarHBondContact O-N 3.11Å; V35-V39 HydrophobicContact CG1-CG2 4.15Å; V35-V39 WeakPolarHBondContact O-CB 3.29Å; V35-V39 WeakPolarHBondContact O-CG2 3.16Å; V35-V39 PolarHBondContact O-N 3.14Å; V35-T66 HydrophobicContact CG1-CG2 4.23Å; V35-F67 HydrophobicContact CB-CD2 4.47Å; V35-F67 HydrophobicContact CG2-CD2 4.09Å
36	H	98.5	Very high	97.6	Very high	82 Å²	82	80.7 Å²	80.7	38%	0.38	40%	0.399	S	S	.	.	H	α-helix	trans	-57.6	-46.3	178.9	-166	129.7	0	0	0	111.8	K32 A33 T38 V39 G40 A63	K32-H36 WeakPolarHBondContact O-CB 3.33Å; K32-H36 PolarHBondContact O-N 2.64Å; A33-H36 PolarHBondContact O-N 2.9Å; H36-T38 PolarHBondContact O-N 3.28Å; H36-V39 PolarHBondContact O-N 3.07Å; H36-G40 PolarHBondContact O-N 2.97Å; H36-A63 HydrophobicContact CB-CB 4.02Å
37	Y	98.6	Very high	97.7	Very high	153 Å²	153	75 Å²	75	60%	0.6	38%	0.379	S	S	*	.	H	α-helix	trans	-56.2	-50.5	176.1	173.4	-100.7	0	0	0	111.5	A33 V35 V39 G40 R41	A33-Y37 WeakPolarHBondContact O-CB 3.37Å; A33-Y37 PolarHBondContact O-N 2.9Å; V35-Y37 VanDerWaalsContact C-N 3.34Å; V35-Y37 PolarHBondContact O-N 3.4Å; Y37-V39 PolarHBondContact O-N 3.35Å; Y37-G40 PolarHBondContact O-N 2.94Å; Y37-R41 HydrophobicContact CE1-CG 4.11Å; Y37-R41 HydrophobicContact CE2-CG 4.3Å; Y37-R41 WeakPolarHBondContact O-CG 3.43Å; Y37-R41 PolarHBondContact O-N 2.93Å
38	T	98.6	Very high	97.8	Very high	75 Å²	75	76.6 Å²	76.6	46%	0.46	39%	0.388	S	S	.	.	H	α-helix	trans	-64.1	-42.7	-178.3	-52.3	0	0	0	0	111.6	A34 V35 H36 G40 R41 L42	A34-T38 PolarHBondContact O-N 2.98Å; A34-T38 VanDerWaalsContact O-N 3.13Å; A34-T38 PolarHBondContact O-OG1 3.1Å; V35-T38 PolarHBondContact O-N 3.11Å; H36-T38 PolarHBondContact O-N 3.28Å; T38-G40 VanDerWaalsContact C-N 3.33Å; T38-G40 PolarHBondContact O-N 3.09Å; T38-R41 WeakPolarHBondContact O-CB 3.49Å; T38-R41 PolarHBondContact O-N 3.1Å; T38-L42 HydrophobicContact CG2-CD1 4.49Å; T38-L42 WeakPolarHBondContact O-CG 3.36Å; T38-L42 PolarHBondContact O-N 3.37Å
39	V	98.6	Very high	97.9	Very high	12 Å²	12	78.8 Å²	78.8	7%	0.073	40%	0.4	C	S	.	.	H	α-helix	trans	-61.7	-42	175.6	168.3	0	0	0	0	111.2	V35 H36 Y37 R41 L42 C43 I59 I62 A63	V35-V39 HydrophobicContact CG1-CG2 4.15Å; V35-V39 WeakPolarHBondContact O-CB 3.29Å; V35-V39 WeakPolarHBondContact O-CG2 3.16Å; V35-V39 PolarHBondContact O-N 3.14Å; H36-V39 PolarHBondContact O-N 3.07Å; Y37-V39 PolarHBondContact O-N 3.35Å; V39-R41 VanDerWaalsContact C-N 3.33Å; V39-R41 PolarHBondContact O-N 2.81Å; V39-L42 PolarHBondContact O-N 2.9Å; V39-C43 WeakPolarHBondContact O-CB 3.44Å; V39-C43 PolarHBondContact O-N 3.4Å; V39-C43 PolarHBondContact O-SG 3.27Å; V39-I59 HydrophobicContact CG1-CG2 4.33Å; V39-I62 HydrophobicContact CG1-CB 3.93Å; V39-I62 HydrophobicContact CG1-CG2 3.56Å; V39-A63 HydrophobicContact CB-CB 4.25Å; V39-A63 HydrophobicContact CG1-CB 4.27Å; V39-A63 HydrophobicContact CG2-CB 4.38Å
40	G	98.3	Very high	97.8	Very high	19 Å²	19	79.6 Å²	79.6	20%	0.196	40%	0.404	C	S	.	.	H	α-helix	trans	-58.7	-43.7	174.9	0	0	0	0	0	112.4	H36 Y37 T38 C43 Q44	H36-G40 PolarHBondContact O-N 2.97Å; Y37-G40 PolarHBondContact O-N 2.94Å; T38-G40 VanDerWaalsContact C-N 3.33Å; T38-G40 PolarHBondContact O-N 3.09Å; G40-C43 PolarHBondContact O-N 3.11Å; G40-Q44 WeakPolarHBondContact O-CB 2.94Å; G40-Q44 PolarHBondContact O-N 2.84Å
41	R	98.4	Very high	97.8	Very high	143 Å²	143	79.9 Å²	79.9	54%	0.54	41%	0.412	S	S	.	.	H	α-helix	trans	-62.7	-41.8	175.7	-65.3	-63.1	-60.7	-169.5	-0.1	112.6	Y37 T38 V39 Q44 S45	Y37-R41 HydrophobicContact CE1-CG 4.11Å; Y37-R41 HydrophobicContact CE2-CG 4.3Å; Y37-R41 WeakPolarHBondContact O-CG 3.43Å; Y37-R41 PolarHBondContact O-N 2.93Å; T38-R41 WeakPolarHBondContact O-CB 3.49Å; T38-R41 PolarHBondContact O-N 3.1Å; V39-R41 VanDerWaalsContact C-N 3.33Å; V39-R41 PolarHBondContact O-N 2.81Å; R41-Q44 PolarHBondContact O-N 2.94Å; R41-S45 PolarHBondContact O-N 3.42Å; R41-S45 VanDerWaalsContact O-N 3.11Å
42	L	98.3	Very high	97.6	Very high	103 Å²	103	82.8 Å²	82.8	54%	0.539	42%	0.421	S	S	.	.	H	α-helix	trans	-67.3	-43.9	176.7	-68.8	173.2	0	0	0	111.7	T38 V39 Q44 S45 I46	T38-L42 HydrophobicContact CG2-CD1 4.49Å; T38-L42 WeakPolarHBondContact O-CG 3.36Å; T38-L42 PolarHBondContact O-N 3.37Å; V39-L42 PolarHBondContact O-N 2.9Å; L42-Q44 VanDerWaalsContact C-N 3.28Å; L42-Q44 PolarHBondContact O-N 2.98Å; L42-S45 PolarHBondContact O-N 2.84Å; L42-I46 WeakPolarHBondContact O-CB 3.3Å; L42-I46 VanDerWaalsContact O-CG1 3.28Å; L42-I46 WeakPolarHBondContact O-CG1 3.5Å; L42-I46 PolarHBondContact O-N 3.49Å
43	C	98.1	Very high	97.5	Very high	8 Å²	8	89.5 Å²	89.5	5%	0.054	45%	0.454	C	S	.	.	H	α-helix	trans	-62.3	-37.9	176.6	-66.1	0	0	0	0	111.4	V39 G40 G47 F54 I59	V39-C43 WeakPolarHBondContact O-CB 3.44Å; V39-C43 PolarHBondContact O-N 3.4Å; V39-C43 PolarHBondContact O-SG 3.27Å; G40-C43 PolarHBondContact O-N 3.11Å; C43-G47 PolarHBondContact O-N 2.99Å; C43-F54 HydrophobicContact CB-CB 4.43Å; C43-F54 HydrophobicContact CB-CD2 3.89Å; C43-F54 HydrophobicContact CB-CE2 4.38Å; C43-F54 HydrophobicContact CB-CG 4.18Å; C43-F54 VanDerWaalsContact O-CD2 3.23Å; C43-F54 WeakPolarHBondContact O-CD2 3.28Å; C43-F54 VanDerWaalsContact O-CE2 3.26Å; C43-F54 WeakPolarHBondContact O-CE2 3.3Å; C43-I59 HydrophobicContact CB-CD1 4.43Å; C43-I59 HydrophobicContact CB-CG1 4.1Å
44	Q	96.9	Very high	97.4	Very high	95 Å²	95	90.5 Å²	90.5	44%	0.444	45%	0.447	S	S	.	.	H	α-helix	trans	-60.7	-53	174	-179	178.9	5.3	0	0	111.2	G40 R41 L42 I46 G47 E48	G40-Q44 WeakPolarHBondContact O-CB 2.94Å; G40-Q44 PolarHBondContact O-N 2.84Å; R41-Q44 PolarHBondContact O-N 2.94Å; L42-Q44 VanDerWaalsContact C-N 3.28Å; L42-Q44 PolarHBondContact O-N 2.98Å; Q44-I46 VanDerWaalsContact C-N 3.34Å; Q44-I46 PolarHBondContact O-N 3.3Å; Q44-G47 PolarHBondContact O-N 3.11Å; Q44-G47 VanDerWaalsContact O-N 3.11Å; Q44-E48 VanDerWaalsContact CG-OE1 3.3Å; Q44-E48 WeakPolarHBondContact CG-OE1 3.26Å; Q44-E48 PolarHBondContact NE2-OE1 3.05Å; Q44-E48 WeakPolarHBondContact O-CG 3.42Å; Q44-E48 PolarHBondContact O-N 3.14Å
45	S	97.6	Very high	97.4	Very high	58 Å²	58	90.5 Å²	90.5	41%	0.406	44%	0.444	S	S	.	.	H	α-helix	trans	-57.7	-46.4	179.1	-175	0	0	0	0	111.9	R41 L42 G47 E48 D49	R41-S45 PolarHBondContact O-N 3.42Å; R41-S45 VanDerWaalsContact O-N 3.11Å; L42-S45 PolarHBondContact O-N 2.84Å; S45-G47 VanDerWaalsContact C-N 3.29Å; S45-G47 PolarHBondContact O-N 3.3Å; S45-E48 PolarHBondContact O-N 3.19Å; S45-D49 VanDerWaalsContact O-CG 3.28Å; S45-D49 PolarHBondContact O-N 3.36Å
46	I	97.3	Very high	97.4	Very high	80 Å²	80	99.2 Å²	99.2	41%	0.41	47%	0.473	S	S	.	.	H	α-helix	trans	-64.9	-37.7	178.3	-67.4	167.1	0	0	0	110.9	L42 Q44 D49 H50 F54	L42-I46 WeakPolarHBondContact O-CB 3.3Å; L42-I46 VanDerWaalsContact O-CG1 3.28Å; L42-I46 WeakPolarHBondContact O-CG1 3.5Å; L42-I46 PolarHBondContact O-N 3.49Å; Q44-I46 VanDerWaalsContact C-N 3.34Å; Q44-I46 PolarHBondContact O-N 3.3Å; I46-D49 PolarHBondContact O-N 3.5Å; I46-H50 PolarHBondContact O-N 3.14Å; I46-H50 VanDerWaalsContact O-N 3.12Å; I46-H50 PolarHBondContact O-ND1 3.36Å; I46-F54 HydrophobicContact CB-CE2 4.48Å; I46-F54 HydrophobicContact CG2-CE2 4.25Å; I46-F54 HydrophobicContact CG2-CZ 4.22Å
47	G	96.7	Very high	97.3	Very high	5 Å²	5	102 Å²	102	5%	0.052	49%	0.486	C	S	.	.	H	α-helix	trans	-64.1	-43.6	177.7	0	0	0	0	0	112.3	C43 Q44 S45 H50 Q51 K52	C43-G47 PolarHBondContact O-N 2.99Å; Q44-G47 PolarHBondContact O-N 3.11Å; Q44-G47 VanDerWaalsContact O-N 3.11Å; S45-G47 VanDerWaalsContact C-N 3.29Å; S45-G47 PolarHBondContact O-N 3.3Å; G47-H50 CarbonylContact O-C 3.57Å; G47-H50 PolarHBondContact O-N 3.44Å; G47-Q51 CarbonylContact O-C 3.24Å; G47-Q51 WeakPolarHBondContact O-CA 3.23Å; G47-Q51 PolarHBondContact O-N 2.91Å; G47-K52 CarbonylContact C-O 3.53Å; G47-K52 VanDerWaalsContact C-O 3.24Å; G47-K52 WeakPolarHBondContact CA-O 3.47Å; G47-K52 PolarHBondContact O-N 3.36Å; G47-K52 VanDerWaalsContact O-O 3.13Å
48	E	96.7	Very high	97.3	Very high	125 Å²	125	97.6 Å²	97.6	58%	0.584	48%	0.475	S	S	*	.	H	α-helix	trans	-60.6	-47.7	174.1	-71.2	168.3	-169.6	0	0	111.1	Q44 S45 H50 Q51	Q44-E48 VanDerWaalsContact CG-OE1 3.3Å; Q44-E48 WeakPolarHBondContact CG-OE1 3.26Å; Q44-E48 PolarHBondContact NE2-OE1 3.05Å; Q44-E48 WeakPolarHBondContact O-CG 3.42Å; Q44-E48 PolarHBondContact O-N 3.14Å; S45-E48 PolarHBondContact O-N 3.19Å; E48-H50 PolarHBondContact O-N 3.11Å; E48-Q51 PolarHBondContact O-N 2.94Å
49	D	97.1	Very high	97.3	Very high	120 Å²	120	95.5 Å²	95.5	64%	0.642	46%	0.461	S	S	*	.	H	α-helix	trans	-59.8	-31.8	178.7	-69	-22.3	0	0	0	113.1	S45 I46	S45-D49 VanDerWaalsContact O-CG 3.28Å; S45-D49 PolarHBondContact O-N 3.36Å; I46-D49 PolarHBondContact O-N 3.5Å
50	H	96.2	Very high	97.3	Very high	124 Å²	124	96.7 Å²	96.7	57%	0.574	47%	0.472	S	S	*	.	H	α-helix	trans	-106.8	4.6	-176.1	-63.9	76.9	0	0	0	113.6	I46 G47 E48 K52	I46-H50 PolarHBondContact O-N 3.14Å; I46-H50 VanDerWaalsContact O-N 3.12Å; I46-H50 PolarHBondContact O-ND1 3.36Å; G47-H50 CarbonylContact O-C 3.57Å; G47-H50 PolarHBondContact O-N 3.44Å; E48-H50 PolarHBondContact O-N 3.11Å; H50-K52 VanDerWaalsContact C-N 3.28Å; H50-K52 PolarHBondContact O-N 2.96Å
51	Q	95.9	Very high	97.3	Very high	187 Å²	187	98.4 Å²	98.4	87%	0.874	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	44.7	-174.2	-58.4	177.2	0.4	0	0	112.9	G47 E48	G47-Q51 CarbonylContact O-C 3.24Å; G47-Q51 WeakPolarHBondContact O-CA 3.23Å; G47-Q51 PolarHBondContact O-N 2.91Å; E48-Q51 PolarHBondContact O-N 2.94Å
52	K	95.4	Very high	97.3	Very high	148 Å²	148	94.5 Å²	94.5	64%	0.643	47%	0.474	S	S	*	.			trans	-132.3	147	-179.9	-71.9	-178.4	-175.8	-178.3	0	111.3	G47 H50	G47-K52 CarbonylContact C-O 3.53Å; G47-K52 VanDerWaalsContact C-O 3.24Å; G47-K52 WeakPolarHBondContact CA-O 3.47Å; G47-K52 PolarHBondContact O-N 3.36Å; G47-K52 VanDerWaalsContact O-O 3.13Å; H50-K52 VanDerWaalsContact C-N 3.28Å; H50-K52 PolarHBondContact O-N 2.96Å
53	E	94.6	Very high	97.3	Very high	194 Å²	194	89.9 Å²	89.9	91%	0.907	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-103.7	141.4	173.4	-63.3	-168	155.8	0	0	111.5
54	F	96.8	Very high	97.3	Very high	80 Å²	80	93 Å²	93	35%	0.351	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-99.7	130.8	172.3	-66.4	-86.6	0	0	0	109.8	C43 I46 V58 I59	C43-F54 HydrophobicContact CB-CB 4.43Å; C43-F54 HydrophobicContact CB-CD2 3.89Å; C43-F54 HydrophobicContact CB-CE2 4.38Å; C43-F54 HydrophobicContact CB-CG 4.18Å; C43-F54 VanDerWaalsContact O-CD2 3.23Å; C43-F54 WeakPolarHBondContact O-CD2 3.28Å; C43-F54 VanDerWaalsContact O-CE2 3.26Å; C43-F54 WeakPolarHBondContact O-CE2 3.3Å; I46-F54 HydrophobicContact CB-CE2 4.48Å; I46-F54 HydrophobicContact CG2-CE2 4.25Å; I46-F54 HydrophobicContact CG2-CZ 4.22Å; F54-V58 HydrophobicContact CD1-CG1 3.92Å; F54-I59 HydrophobicContact CB-CD1 4.16Å; F54-I59 HydrophobicContact CB-CG1 3.9Å
55	S	98.1	Very high	97.4	Very high	55 Å²	55	91.9 Å²	91.9	39%	0.385	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-68.5	156.1	174.7	75.7	0	0	0	0	111.4	Q57 V58 I59	S55-Q57 PolarHBondContact O-N 3Å; S55-Q57 PolarHBondContact OG-OE1 3.45Å; S55-V58 PolarHBondContact O-N 2.94Å; S55-V58 VanDerWaalsContact O-N 3.08Å; S55-V58 WeakPolarHBondContact OG-CG2 3.31Å; S55-V58 PolarHBondContact OG-N 3.46Å; S55-I59 WeakPolarHBondContact O-CG1 3.49Å; S55-I59 PolarHBondContact O-N 3.33Å
56	R	97.8	Very high	97.4	Very high	217 Å²	217	91.9 Å²	91.9	82%	0.819	46%	0.461	S	S	*	.	H	α-helix	trans	-57.1	-36.2	178.4	-63.3	-176.7	-178	-163.7	0.5	112.1	A60	R56-A60 WeakPolarHBondContact O-CB 3.36Å; R56-A60 PolarHBondContact O-N 3.4Å
57	Q	98.3	Very high	97.5	Very high	140 Å²	140	90.2 Å²	90.2	65%	0.654	45%	0.451	S	S	*	.	H	α-helix	trans	-68.9	-39.5	179.2	-60.2	78.7	6	0	0	111.4	S55 A60 A61	S55-Q57 PolarHBondContact O-N 3Å; S55-Q57 PolarHBondContact OG-OE1 3.45Å; Q57-A60 PolarHBondContact O-N 3.29Å; Q57-A61 WeakPolarHBondContact O-CB 3.36Å; Q57-A61 PolarHBondContact O-N 2.9Å
58	V	98.1	Very high	97.5	Very high	62 Å²	62	97.1 Å²	97.1	38%	0.376	48%	0.476	S	S	.	.	H	α-helix	trans	-65.6	-45.1	176	171.2	0	0	0	0	110.6	F54 S55 A60 A61 I62	F54-V58 HydrophobicContact CD1-CG1 3.92Å; S55-V58 PolarHBondContact O-N 2.94Å; S55-V58 VanDerWaalsContact O-N 3.08Å; S55-V58 WeakPolarHBondContact OG-CG2 3.31Å; S55-V58 PolarHBondContact OG-N 3.46Å; V58-A60 VanDerWaalsContact C-N 3.33Å; V58-A60 PolarHBondContact O-N 3.02Å; V58-A61 PolarHBondContact O-N 3.44Å; V58-I62 HydrophobicContact CG1-CD1 3.83Å; V58-I62 HydrophobicContact CG1-CG1 4.41Å; V58-I62 VanDerWaalsContact O-CG1 3.31Å; V58-I62 WeakPolarHBondContact O-CG1 3.44Å; V58-I62 PolarHBondContact O-N 3.14Å
59	I	98.4	Very high	97.6	Very high	30 Å²	30	94.4 Å²	94.4	15%	0.154	46%	0.463	C	S	.	.	H	α-helix	trans	-59.3	-45.6	176.4	-63.9	171.2	0	0	0	110.6	V39 C43 F54 S55 A61 I62 A63	V39-I59 HydrophobicContact CG1-CG2 4.33Å; C43-I59 HydrophobicContact CB-CD1 4.43Å; C43-I59 HydrophobicContact CB-CG1 4.1Å; F54-I59 HydrophobicContact CB-CD1 4.16Å; F54-I59 HydrophobicContact CB-CG1 3.9Å; S55-I59 WeakPolarHBondContact O-CG1 3.49Å; S55-I59 PolarHBondContact O-N 3.33Å; I59-A61 PolarHBondContact O-N 3.49Å; I59-I62 PolarHBondContact O-N 3.31Å; I59-A63 WeakPolarHBondContact O-CB 3.4Å; I59-A63 PolarHBondContact O-N 3.04Å
60	A	98.3	Very high	97.6	Very high	38 Å²	38	91.7 Å²	91.7	31%	0.314	45%	0.453	S	S	.	.	H	α-helix	trans	-61.4	-41.7	176.7	0	0	0	0	0	112.6	R56 Q57 V58 A63 E64	R56-A60 WeakPolarHBondContact O-CB 3.36Å; R56-A60 PolarHBondContact O-N 3.4Å; Q57-A60 PolarHBondContact O-N 3.29Å; V58-A60 VanDerWaalsContact C-N 3.33Å; V58-A60 PolarHBondContact O-N 3.02Å; A60-A63 PolarHBondContact O-N 3.3Å; A60-E64 PolarHBondContact O-N 3.19Å
61	A	98.6	Very high	97.7	Very high	55 Å²	55	90 Å²	90	46%	0.455	45%	0.448	S	S	.	.	H	α-helix	trans	-65.6	-40.9	177.9	0	0	0	0	0	112.2	Q57 V58 I59 T65	Q57-A61 WeakPolarHBondContact O-CB 3.36Å; Q57-A61 PolarHBondContact O-N 2.9Å; V58-A61 PolarHBondContact O-N 3.44Å; I59-A61 PolarHBondContact O-N 3.49Å; A61-T65 WeakPolarHBondContact O-CB 3.22Å; A61-T65 PolarHBondContact O-N 3.44Å; A61-T65 PolarHBondContact O-OG1 3.39Å
62	I	98.5	Very high	97.7	Very high	61 Å²	61	84.9 Å²	84.9	31%	0.313	43%	0.426	S	S	.	.	H	α-helix	trans	-63.1	-47.4	174.2	-65	166.3	0	0	0	109.3	V39 V58 I59 E64 T65 T66	V39-I62 HydrophobicContact CG1-CB 3.93Å; V39-I62 HydrophobicContact CG1-CG2 3.56Å; V58-I62 HydrophobicContact CG1-CD1 3.83Å; V58-I62 HydrophobicContact CG1-CG1 4.41Å; V58-I62 VanDerWaalsContact O-CG1 3.31Å; V58-I62 WeakPolarHBondContact O-CG1 3.44Å; V58-I62 PolarHBondContact O-N 3.14Å; I59-I62 PolarHBondContact O-N 3.31Å; I62-E64 PolarHBondContact O-N 3.47Å; I62-T65 PolarHBondContact O-N 3.48Å; I62-T65 VanDerWaalsContact O-N 3.12Å; I62-T66 PolarHBondContact O-N 3.01Å; I62-T66 PolarHBondContact O-OG1 2.98Å; I62-T66 VanDerWaalsContact O-OG1 3.06Å
63	A	98.6	Very high	97.8	Very high	5 Å²	5	82.1 Å²	82.1	4%	0.041	41%	0.414	C	S	.	.	H	α-helix	trans	-58.5	-46.1	179.7	0	0	0	0	0	112.7	H36 V39 I59 A60 T65 T66 F67	H36-A63 HydrophobicContact CB-CB 4.02Å; V39-A63 HydrophobicContact CB-CB 4.25Å; V39-A63 HydrophobicContact CG1-CB 4.27Å; V39-A63 HydrophobicContact CG2-CB 4.38Å; I59-A63 WeakPolarHBondContact O-CB 3.4Å; I59-A63 PolarHBondContact O-N 3.04Å; A60-A63 PolarHBondContact O-N 3.3Å; A63-T65 VanDerWaalsContact C-N 3.31Å; A63-T65 PolarHBondContact O-N 3.06Å; A63-T66 PolarHBondContact O-N 3.27Å; A63-F67 WeakPolarHBondContact O-CB 3.44Å; A63-F67 PolarHBondContact O-N 3.48Å
64	E	97.9	Very high	98	Very high	73 Å²	73	75.5 Å²	75.5	34%	0.341	39%	0.393	S	S	.	.	H	α-helix	trans	-66.7	-34.1	177.1	-173.2	63.8	-157.5	0	0	111.9	K32 A60 I62 R68	K32-E64 VanDerWaalsContact NZ-CD 3.28Å; K32-E64 IonicContact NZ-OE1 2.88Å; K32-E64 PolarHBondContact NZ-OE1 3.46Å; K32-E64 IonicContact NZ-OE2 2.84Å; K32-E64 PolarHBondContact NZ-OE2 3.38Å; A60-E64 PolarHBondContact O-N 3.19Å; I62-E64 PolarHBondContact O-N 3.47Å; E64-R68 WeakPolarHBondContact O-CG 3.31Å; E64-R68 PolarHBondContact O-N 3.12Å; E64-R68 PolarHBondContact O-NE 2.96Å
65	T	98.5	Very high	98.1	Very high	73 Å²	73	77.3 Å²	77.3	45%	0.448	40%	0.4	S	S	.	.	H	α-helix	trans	-68.9	-45.7	175.9	-56.4	0	0	0	0	111.2	A61 I62 A63 F67 R68 Q69	A61-T65 WeakPolarHBondContact O-CB 3.22Å; A61-T65 PolarHBondContact O-N 3.44Å; A61-T65 PolarHBondContact O-OG1 3.39Å; I62-T65 PolarHBondContact O-N 3.48Å; I62-T65 VanDerWaalsContact O-N 3.12Å; A63-T65 VanDerWaalsContact C-N 3.31Å; A63-T65 PolarHBondContact O-N 3.06Å; T65-F67 VanDerWaalsContact C-N 3.32Å; T65-F67 PolarHBondContact O-N 3.38Å; T65-R68 PolarHBondContact O-N 3.37Å; T65-Q69 WeakPolarHBondContact O-CB 3.34Å; T65-Q69 PolarHBondContact O-N 3.47Å
66	T	98.6	Very high	98	Very high	58 Å²	58	77.6 Å²	77.6	36%	0.356	40%	0.398	S	S	.	.	H	α-helix	trans	-59.5	-43.4	174.1	-57.6	0	0	0	0	111.1	V35 I62 A63 R68 Q69 C70	V35-T66 HydrophobicContact CG1-CG2 4.23Å; I62-T66 PolarHBondContact O-N 3.01Å; I62-T66 PolarHBondContact O-OG1 2.98Å; I62-T66 VanDerWaalsContact O-OG1 3.06Å; A63-T66 PolarHBondContact O-N 3.27Å; T66-R68 PolarHBondContact O-N 3.43Å; T66-Q69 WeakPolarHBondContact O-CB 3.34Å; T66-Q69 PolarHBondContact O-N 2.92Å; T66-C70 PolarHBondContact O-N 3.25Å; T66-C70 PolarHBondContact O-SG 3.06Å; T66-C70 VanDerWaalsContact O-SG 3.37Å
67	F	98.1	Very high	98.1	Very high	45 Å²	45	69.1 Å²	69.1	20%	0.197	37%	0.368	C	S	.	.	H	α-helix	trans	-61.6	-44.2	178.5	-166.3	-89.2	0	0	0	112	L28 L31 K32 V35 A63 T65 Q69 C70	L28-F67 HydrophobicContact CD1-CE1 3.68Å; L28-F67 HydrophobicContact CD1-CZ 3.39Å; L31-F67 HydrophobicContact CB-CE2 3.99Å; K32-F67 HydrophobicContact CG-CD1 4.09Å; K32-F67 HydrophobicContact CG-CD2 3.75Å; K32-F67 HydrophobicContact CG-CE1 4.07Å; K32-F67 HydrophobicContact CG-CE2 3.72Å; K32-F67 HydrophobicContact CG-CG 3.96Å; K32-F67 HydrophobicContact CG-CZ 3.91Å; V35-F67 HydrophobicContact CB-CD2 4.47Å; V35-F67 HydrophobicContact CG2-CD2 4.09Å; A63-F67 WeakPolarHBondContact O-CB 3.44Å; A63-F67 PolarHBondContact O-N 3.48Å; T65-F67 VanDerWaalsContact C-N 3.32Å; T65-F67 PolarHBondContact O-N 3.38Å; F67-Q69 VanDerWaalsContact C-N 3.33Å; F67-C70 WeakPolarHBondContact O-CB 3.45Å; F67-C70 PolarHBondContact O-N 3.01Å
68	R	98	Very high	98.1	Very high	150 Å²	150	67.6 Å²	67.6	57%	0.566	36%	0.361	S	S	*	.	H	α-helix	trans	-65.6	-35.5	174.4	-74.4	-175.9	-73.1	169.2	-2.7	112.6	E64 T65 T66 C70 D71	E64-R68 WeakPolarHBondContact O-CG 3.31Å; E64-R68 PolarHBondContact O-N 3.12Å; E64-R68 PolarHBondContact O-NE 2.96Å; T65-R68 PolarHBondContact O-N 3.37Å; T66-R68 PolarHBondContact O-N 3.43Å; R68-C70 PolarHBondContact O-N 3.44Å; R68-D71 PolarHBondContact O-N 3.18Å
69	Q	97.6	Very high	98.1	Very high	68 Å²	68	66.4 Å²	66.4	32%	0.318	36%	0.358	S	S	.	.	H	α-helix	trans	-63.9	-29.8	177.9	-171	60.4	46.7	0	0	112.5	T65 T66 F67 D71 I72 F73	T65-Q69 WeakPolarHBondContact O-CB 3.34Å; T65-Q69 PolarHBondContact O-N 3.47Å; T66-Q69 WeakPolarHBondContact O-CB 3.34Å; T66-Q69 PolarHBondContact O-N 2.92Å; F67-Q69 VanDerWaalsContact C-N 3.33Å; Q69-D71 VanDerWaalsContact C-N 3.28Å; Q69-D71 PolarHBondContact O-N 3.4Å; Q69-I72 WeakPolarHBondContact O-CB 3.42Å; Q69-I72 PolarHBondContact O-N 2.84Å; Q69-F73 HydrophobicContact CG-CD2 4.04Å; Q69-F73 HydrophobicContact CG-CE1 4.1Å; Q69-F73 HydrophobicContact CG-CE2 3.52Å; Q69-F73 HydrophobicContact CG-CZ 3.55Å; Q69-F73 VanDerWaalsContact NE2-CE1 3.28Å; Q69-F73 WeakPolarHBondContact O-CG 3.5Å; Q69-F73 PolarHBondContact O-N 3.26Å
70	C	97.8	Very high	98.1	Very high	63 Å²	63	66.4 Å²	66.4	43%	0.426	36%	0.357	S	S	.	.	H	α-helix	trans	-60.5	-35.3	175.2	-67	0	0	0	0	113	T66 F67 R68 I72 F73 A74	T66-C70 PolarHBondContact O-N 3.25Å; T66-C70 PolarHBondContact O-SG 3.06Å; T66-C70 VanDerWaalsContact O-SG 3.37Å; F67-C70 WeakPolarHBondContact O-CB 3.45Å; F67-C70 PolarHBondContact O-N 3.01Å; R68-C70 PolarHBondContact O-N 3.44Å; C70-I72 VanDerWaalsContact C-N 3.35Å; C70-F73 PolarHBondContact O-N 2.94Å; C70-A74 WeakPolarHBondContact O-CB 3.43Å; C70-A74 PolarHBondContact O-N 3.5Å
71	D	96.9	Very high	98.1	Very high	87 Å²	87	64.7 Å²	64.7	47%	0.465	34%	0.342	S	S	.	.	H	α-helix	trans	-65.7	-40.4	176.9	-179.5	46.1	0	0	0	111.3	R68 Q69 A74 K75	R68-D71 PolarHBondContact O-N 3.18Å; Q69-D71 VanDerWaalsContact C-N 3.28Å; Q69-D71 PolarHBondContact O-N 3.4Å; D71-A74 PolarHBondContact O-N 3.16Å; D71-K75 VanDerWaalsContact CG-NZ 3.3Å; D71-K75 WeakPolarHBondContact O-CG 3.33Å; D71-K75 PolarHBondContact O-N 3.24Å; D71-K75 VanDerWaalsContact O-N 3.13Å; D71-K75 WeakPolarHBondContact OD1-CE 3.44Å; D71-K75 IonicContact OD1-NZ 3.18Å; D71-K75 PolarHBondContact OD1-NZ 3.16Å; D71-K75 IonicContact OD2-NZ 2.69Å; D71-K75 PolarHBondContact OD2-NZ 3.17Å
72	I	96.9	Very high	98.1	Very high	80 Å²	80	69.4 Å²	69.4	41%	0.41	35%	0.348	S	S	.	.	H	α-helix	trans	-62.9	-49.2	174.8	-58.9	171	0	0	0	109.8	Q69 C70 A74 K75 D76	Q69-I72 WeakPolarHBondContact O-CB 3.42Å; Q69-I72 PolarHBondContact O-N 2.84Å; C70-I72 VanDerWaalsContact C-N 3.35Å; I72-A74 PolarHBondContact O-N 3.28Å; I72-K75 PolarHBondContact O-N 3.12Å; I72-D76 WeakPolarHBondContact O-CB 3.45Å; I72-D76 PolarHBondContact O-N 3.46Å
73	F	97.8	Very high	98.1	Very high	90 Å²	90	74.5 Å²	74.5	40%	0.395	37%	0.371	S	S	.	.	H	α-helix	trans	-61.6	-41.6	178.3	-67.3	-29.2	0	0	0	112.6	Q69 C70 K75 D76 L77 T97	Q69-F73 HydrophobicContact CG-CD2 4.04Å; Q69-F73 HydrophobicContact CG-CE1 4.1Å; Q69-F73 HydrophobicContact CG-CE2 3.52Å; Q69-F73 HydrophobicContact CG-CZ 3.55Å; Q69-F73 VanDerWaalsContact NE2-CE1 3.28Å; Q69-F73 WeakPolarHBondContact O-CG 3.5Å; Q69-F73 PolarHBondContact O-N 3.26Å; C70-F73 PolarHBondContact O-N 2.94Å; F73-K75 PolarHBondContact O-N 3.11Å; F73-D76 PolarHBondContact O-N 3.43Å; F73-L77 WeakPolarHBondContact O-CB 3.37Å; F73-L77 WeakPolarHBondContact O-CG 3.43Å; F73-L77 PolarHBondContact O-N 3.38Å; F73-T97 HydrophobicContact CD1-CG2 3.6Å; F73-T97 HydrophobicContact CE1-CG2 3.71Å
74	A	98.1	Very high	98	Very high	56 Å²	56	76.6 Å²	76.6	46%	0.463	39%	0.388	S	S	.	.	H	α-helix	trans	-60.4	-46.8	178.8	0	0	0	0	0	111.7	C70 D71 I72 L77 E78	C70-A74 WeakPolarHBondContact O-CB 3.43Å; C70-A74 PolarHBondContact O-N 3.5Å; D71-A74 PolarHBondContact O-N 3.16Å; I72-A74 PolarHBondContact O-N 3.28Å; A74-L77 PolarHBondContact O-N 3.05Å; A74-E78 WeakPolarHBondContact O-CB 3.45Å; A74-E78 PolarHBondContact O-N 2.92Å
75	K	98.2	Very high	98	Very high	118 Å²	118	82.8 Å²	82.8	51%	0.513	41%	0.414	S	S	.	.	H	α-helix	trans	-64.4	-42.9	178.5	-72	167.9	178.9	163.6	0	112.4	D71 I72 F73 A79	D71-K75 VanDerWaalsContact CG-NZ 3.3Å; D71-K75 WeakPolarHBondContact O-CG 3.33Å; D71-K75 PolarHBondContact O-N 3.24Å; D71-K75 VanDerWaalsContact O-N 3.13Å; D71-K75 WeakPolarHBondContact OD1-CE 3.44Å; D71-K75 IonicContact OD1-NZ 3.18Å; D71-K75 PolarHBondContact OD1-NZ 3.16Å; D71-K75 IonicContact OD2-NZ 2.69Å; D71-K75 PolarHBondContact OD2-NZ 3.17Å; I72-K75 PolarHBondContact O-N 3.12Å; F73-K75 PolarHBondContact O-N 3.11Å; K75-A79 WeakPolarHBondContact O-CB 3.31Å; K75-A79 PolarHBondContact O-N 2.81Å
76	D	97.9	Very high	98	Very high	61 Å²	61	83.4 Å²	83.4	33%	0.326	41%	0.408	S	S	.	.	H	α-helix	trans	-63.4	-47.5	177.2	-80.2	-9.4	0	0	0	111.2	I72 F73 E78 A79 F80	I72-D76 WeakPolarHBondContact O-CB 3.45Å; I72-D76 PolarHBondContact O-N 3.46Å; F73-D76 PolarHBondContact O-N 3.43Å; D76-E78 VanDerWaalsContact C-N 3.35Å; D76-E78 PolarHBondContact O-N 2.8Å; D76-A79 PolarHBondContact O-N 3.32Å; D76-F80 HydrophobicContact CB-CE2 3.79Å; D76-F80 HydrophobicContact CB-CZ 3.95Å; D76-F80 WeakPolarHBondContact O-CD2 3.26Å; D76-F80 WeakPolarHBondContact O-CG 3.49Å; D76-F80 PolarHBondContact O-N 3.35Å
77	L	98.5	Very high	97.9	Very high	38 Å²	38	86.5 Å²	86.5	20%	0.199	43%	0.432	C	S	.	.	H	α-helix	trans	-61.7	-41.9	179.1	-70.6	171.8	0	0	0	112.1	F73 A74 F80 A81 V89 D93 V94	F73-L77 WeakPolarHBondContact O-CB 3.37Å; F73-L77 WeakPolarHBondContact O-CG 3.43Å; F73-L77 PolarHBondContact O-N 3.38Å; A74-L77 PolarHBondContact O-N 3.05Å; L77-F80 PolarHBondContact O-N 3.3Å; L77-A81 WeakPolarHBondContact O-CB 3.19Å; L77-A81 PolarHBondContact O-N 3.08Å; L77-V89 HydrophobicContact CB-CG1 4.14Å; L77-V89 HydrophobicContact CB-CG2 4.13Å; L77-V89 HydrophobicContact CD1-CG1 4.47Å; L77-V89 HydrophobicContact CD2-CG1 4.04Å; L77-V89 HydrophobicContact CG-CG1 4.45Å; L77-D93 HydrophobicContact CD2-CB 4Å; L77-V94 HydrophobicContact CD2-CB 4.43Å; L77-V94 HydrophobicContact CD2-CG2 3.85Å
78	E	98.3	Very high	97.9	Very high	109 Å²	109	89.4 Å²	89.4	51%	0.509	45%	0.454	S	S	.	.	H	α-helix	trans	-62.1	-45.8	174.6	-168.3	-159.5	150.9	0	0	111.1	A74 D76 F80 A81 R82	A74-E78 WeakPolarHBondContact O-CB 3.45Å; A74-E78 PolarHBondContact O-N 2.92Å; D76-E78 VanDerWaalsContact C-N 3.35Å; D76-E78 PolarHBondContact O-N 2.8Å; E78-F80 PolarHBondContact O-N 3.21Å; E78-A81 PolarHBondContact O-N 3.23Å; E78-R82 WeakPolarHBondContact O-CB 3.46Å; E78-R82 PolarHBondContact O-N 2.88Å; E78-R82 IonicContact OE1-NH1 2.81Å; E78-R82 PolarHBondContact OE1-NH1 3.45Å
79	A	98.3	Very high	97.9	Very high	37 Å²	37	85.5 Å²	85.5	31%	0.306	45%	0.447	S	S	.	.	H	α-helix	trans	-63.1	-40.8	179.2	0	0	0	0	0	112.3	K75 D76 R82 H83	K75-A79 WeakPolarHBondContact O-CB 3.31Å; K75-A79 PolarHBondContact O-N 2.81Å; D76-A79 PolarHBondContact O-N 3.32Å; A79-R82 PolarHBondContact O-N 3.47Å; A79-H83 WeakPolarHBondContact O-CB 3.49Å; A79-H83 PolarHBondContact O-N 3.43Å
80	F	98.4	Very high	97.9	Very high	29 Å²	29	84.1 Å²	84.1	13%	0.127	44%	0.444	C	S	.	.	H	α-helix	trans	-67.2	-44	177.6	-59.1	-30.9	0	0	0	112.2	D76 L77 E78 R82 H83 A84 D93 L96	D76-F80 HydrophobicContact CB-CE2 3.79Å; D76-F80 HydrophobicContact CB-CZ 3.95Å; D76-F80 WeakPolarHBondContact O-CD2 3.26Å; D76-F80 WeakPolarHBondContact O-CG 3.49Å; D76-F80 PolarHBondContact O-N 3.35Å; L77-F80 PolarHBondContact O-N 3.3Å; E78-F80 PolarHBondContact O-N 3.21Å; F80-R82 VanDerWaalsContact C-N 3.34Å; F80-R82 PolarHBondContact O-N 3.47Å; F80-H83 WeakPolarHBondContact O-CB 3.37Å; F80-H83 PolarHBondContact O-N 2.99Å; F80-A84 PolarHBondContact O-N 3.42Å; F80-D93 HydrophobicContact CB-CB 3.94Å; F80-D93 WeakPolarHBondContact CD2-O 3.34Å; F80-L96 HydrophobicContact CB-CD2 4.18Å; F80-L96 HydrophobicContact CD1-CD2 3.51Å; F80-L96 HydrophobicContact CD1-CG 4.33Å; F80-L96 HydrophobicContact CD2-CB 4.12Å; F80-L96 HydrophobicContact CD2-CD2 4.04Å; F80-L96 HydrophobicContact CD2-CG 4.26Å; F80-L96 HydrophobicContact CE1-CD2 3.91Å; F80-L96 HydrophobicContact CE1-CG 4.33Å; F80-L96 HydrophobicContact CE2-CB 4.3Å; F80-L96 HydrophobicContact CE2-CD2 4.38Å; F80-L96 HydrophobicContact CE2-CG 4.25Å; F80-L96 HydrophobicContact CG-CD2 3.63Å; F80-L96 HydrophobicContact CG-CG 4.34Å; F80-L96 HydrophobicContact CZ-CD2 4.36Å; F80-L96 HydrophobicContact CZ-CG 4.33Å
81	A	98.5	Very high	97.9	Very high	2 Å²	2	85 Å²	85	2%	0.017	45%	0.448	C	S	.	.	H	α-helix	trans	-60.3	-45.8	175.1	0	0	0	0	0	111.1	L77 E78 H83 A84 K85 R86 V89 D93	L77-A81 WeakPolarHBondContact O-CB 3.19Å; L77-A81 PolarHBondContact O-N 3.08Å; E78-A81 PolarHBondContact O-N 3.23Å; A81-H83 PolarHBondContact O-N 3.2Å; A81-A84 CarbonylContact O-C 3.47Å; A81-A84 PolarHBondContact O-N 2.92Å; A81-A84 VanDerWaalsContact O-N 3.14Å; A81-K85 PolarHBondContact O-N 2.91Å; A81-R86 CarbonylContact C-O 3.21Å; A81-R86 PolarHBondContact O-N 3.35Å; A81-R86 VanDerWaalsContact O-O 3.09Å; A81-V89 HydrophobicContact CB-CG2 4.35Å; A81-D93 PolarHBondContact N-OD1 3.46Å
82	R	98.3	Very high	97.9	Very high	154 Å²	154	86.3 Å²	86.3	58%	0.581	45%	0.451	S	S	*	.	H	α-helix	trans	-63.2	-39	177.6	-177.3	167	61.4	-130.7	-0.9	112.5	E78 A79 F80 A84 K85 R86	E78-R82 WeakPolarHBondContact O-CB 3.46Å; E78-R82 PolarHBondContact O-N 2.88Å; E78-R82 IonicContact OE1-NH1 2.81Å; E78-R82 PolarHBondContact OE1-NH1 3.45Å; A79-R82 PolarHBondContact O-N 3.47Å; F80-R82 VanDerWaalsContact C-N 3.34Å; F80-R82 PolarHBondContact O-N 3.47Å; R82-A84 PolarHBondContact O-N 2.92Å; R82-K85 WeakPolarHBondContact O-CA 3.39Å; R82-K85 PolarHBondContact O-N 3.37Å; R82-R86 PolarHBondContact N-O 3.39Å
83	H	98.1	Very high	98	Very high	168 Å²	168	82.7 Å²	82.7	78%	0.778	43%	0.432	S	S	*	.	H	α-helix	trans	-59.5	-36.2	175.4	-175.9	75.3	0	0	0	111.8	A79 F80 A81 K85	A79-H83 WeakPolarHBondContact O-CB 3.49Å; A79-H83 PolarHBondContact O-N 3.43Å; F80-H83 WeakPolarHBondContact O-CB 3.37Å; F80-H83 PolarHBondContact O-N 2.99Å; A81-H83 PolarHBondContact O-N 3.2Å; H83-K85 PolarHBondContact O-N 3.46Å
84	A	97.5	Very high	98	Very high	50 Å²	50	81.6 Å²	81.6	41%	0.413	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	13.9	173.9	0	0	0	0	0	114.1	F80 A81 R82 R86	F80-A84 PolarHBondContact O-N 3.42Å; A81-A84 CarbonylContact O-C 3.47Å; A81-A84 PolarHBondContact O-N 2.92Å; A81-A84 VanDerWaalsContact O-N 3.14Å; R82-A84 PolarHBondContact O-N 2.92Å; A84-R86 VanDerWaalsContact CB-NH2 3.33Å; A84-R86 PolarHBondContact O-N 3.34Å
85	K	97.9	Very high	97.9	Very high	202 Å²	202	80.7 Å²	80.7	88%	0.878	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	28.9	-177.7	-52.9	178.6	-177.9	179.1	0	114	A81 R82 H83	A81-K85 PolarHBondContact O-N 2.91Å; R82-K85 WeakPolarHBondContact O-CA 3.39Å; R82-K85 PolarHBondContact O-N 3.37Å; H83-K85 PolarHBondContact O-N 3.46Å
86	R	98	Very high	97.9	Very high	86 Å²	86	78.6 Å²	78.6	33%	0.325	41%	0.412	S	S	.	.			trans	-108.7	150.1	175.6	-68.7	-179.4	-77.5	97	-2.3	110.4	A81 R82 A84 T88 S90 D93	A81-R86 CarbonylContact C-O 3.21Å; A81-R86 PolarHBondContact O-N 3.35Å; A81-R86 VanDerWaalsContact O-O 3.09Å; R82-R86 PolarHBondContact N-O 3.39Å; A84-R86 VanDerWaalsContact CB-NH2 3.33Å; A84-R86 PolarHBondContact O-N 3.34Å; R86-T88 PolarHBondContact NH1-O 2.86Å; R86-S90 PolarHBondContact NH1-OG 3.13Å; R86-S90 PolarHBondContact NH2-OG 2.73Å; R86-D93 IonicContact CZ-OD1 3.51Å; R86-D93 IonicContact CZ-OD2 2.81Å; R86-D93 IonicContact NH1-OD1 2.75Å; R86-D93 IonicContact NH1-OD2 2.85Å; R86-D93 PolarHBondContact NH1-OD2 2.9Å; R86-D93 IonicContact NH2-OD1 3.35Å; R86-D93 PolarHBondContact NH2-OD1 3.41Å; R86-D93 IonicContact NH2-OD2 3.66Å; R86-D93 PolarHBondContact NH2-OD2 3.18Å
87	S	97	Very high	97.9	Very high	124 Å²	124	77.4 Å²	77.4	87%	0.867	41%	0.407	S	S	*	.	S	Bend	trans	-97.8	-15.3	168.5	53.6	0	0	0	0	112.9
88	T	98	Very high	97.8	Very high	105 Å²	105	75.9 Å²	75.9	64%	0.644	40%	0.4	S	S	*	.	S	Bend	trans	-105.4	128.5	179.8	-51.9	0	0	0	0	110.5	R86	R86-T88 PolarHBondContact NH1-O 2.86Å
89	V	98.2	Very high	97.7	Very high	69 Å²	69	77.3 Å²	77.3	42%	0.418	40%	0.401	S	S	.	.			trans	-67.2	136.5	174.9	179	0	0	0	0	110.2	L77 A81 D93	L77-V89 HydrophobicContact CB-CG1 4.14Å; L77-V89 HydrophobicContact CB-CG2 4.13Å; L77-V89 HydrophobicContact CD1-CG1 4.47Å; L77-V89 HydrophobicContact CD2-CG1 4.04Å; L77-V89 HydrophobicContact CG-CG1 4.45Å; A81-V89 HydrophobicContact CB-CG2 4.35Å; V89-D93 HydrophobicContact CG1-CB 4.1Å
90	S	97.4	Very high	97.6	Very high	39 Å²	39	86.8 Å²	86.8	27%	0.273	43%	0.429	S	S	.	.			trans	-120.8	170.1	-179.1	72.2	0	0	0	0	111.1	R86 E92 D93 V94	R86-S90 PolarHBondContact NH1-OG 3.13Å; R86-S90 PolarHBondContact NH2-OG 2.73Å; S90-E92 PolarHBondContact O-N 3.41Å; S90-D93 WeakPolarHBondContact CA-OD2 3.49Å; S90-D93 PolarHBondContact N-OD2 2.91Å; S90-D93 WeakPolarHBondContact O-CB 3.41Å; S90-D93 PolarHBondContact O-N 3.12Å; S90-D93 VanDerWaalsContact O-N 3.16Å; S90-D93 PolarHBondContact OG-OD2 3.01Å; S90-V94 PolarHBondContact O-N 3.19Å
91	V	97.5	Very high	97.6	Very high	81 Å²	81	88 Å²	88	49%	0.491	44%	0.441	S	S	.	.	H	α-helix	trans	-60.9	-32.8	178.5	-177.6	0	0	0	0	111.9	D93 V94 K95	V91-D93 VanDerWaalsContact C-N 3.28Å; V91-D93 PolarHBondContact O-N 3.06Å; V91-V94 WeakPolarHBondContact O-CB 3.46Å; V91-V94 PolarHBondContact O-N 2.81Å; V91-K95 HydrophobicContact CG1-CD 4.45Å; V91-K95 WeakPolarHBondContact O-CG 3.36Å; V91-K95 PolarHBondContact O-N 3.31Å
92	E	97.4	Very high	97.6	Very high	114 Å²	114	93.4 Å²	93.4	53%	0.533	47%	0.474	S	S	.	.	H	α-helix	trans	-65.1	-32.7	178.9	-61.4	-53.6	125.6	0	0	112.2	S90 V94 K95 L96	S90-E92 PolarHBondContact O-N 3.41Å; E92-V94 VanDerWaalsContact C-N 3.35Å; E92-K95 PolarHBondContact O-N 3.37Å; E92-K95 IonicContact OE1-NZ 3.91Å; E92-K95 PolarHBondContact OE1-NZ 3.34Å; E92-K95 IonicContact OE2-NZ 3.95Å; E92-L96 WeakPolarHBondContact O-CB 3.49Å; E92-L96 PolarHBondContact O-N 3.33Å
93	D	98.1	Very high	97.6	Very high	5 Å²	5	89.4 Å²	89.4	3%	0.027	47%	0.474	C	S	.	.	H	α-helix	trans	-68.4	-37.3	176	-50.7	-51	0	0	0	110.8	L77 F80 A81 R86 V89 S90 V91 L96 T97	L77-D93 HydrophobicContact CD2-CB 4Å; F80-D93 HydrophobicContact CB-CB 3.94Å; F80-D93 WeakPolarHBondContact CD2-O 3.34Å; A81-D93 PolarHBondContact N-OD1 3.46Å; R86-D93 IonicContact CZ-OD1 3.51Å; R86-D93 IonicContact CZ-OD2 2.81Å; R86-D93 IonicContact NH1-OD1 2.75Å; R86-D93 IonicContact NH1-OD2 2.85Å; R86-D93 PolarHBondContact NH1-OD2 2.9Å; R86-D93 IonicContact NH2-OD1 3.35Å; R86-D93 PolarHBondContact NH2-OD1 3.41Å; R86-D93 IonicContact NH2-OD2 3.66Å; R86-D93 PolarHBondContact NH2-OD2 3.18Å; V89-D93 HydrophobicContact CG1-CB 4.1Å; S90-D93 WeakPolarHBondContact CA-OD2 3.49Å; S90-D93 PolarHBondContact N-OD2 2.91Å; S90-D93 WeakPolarHBondContact O-CB 3.41Å; S90-D93 PolarHBondContact O-N 3.12Å; S90-D93 VanDerWaalsContact O-N 3.16Å; S90-D93 PolarHBondContact OG-OD2 3.01Å; V91-D93 VanDerWaalsContact C-N 3.28Å; V91-D93 PolarHBondContact O-N 3.06Å; D93-L96 PolarHBondContact O-N 3.47Å; D93-T97 PolarHBondContact O-N 3.22Å; D93-T97 PolarHBondContact O-OG1 2.99Å; D93-T97 VanDerWaalsContact O-OG1 3.11Å
94	V	97.8	Very high	97.5	Very high	66 Å²	66	85.5 Å²	85.5	40%	0.4	46%	0.458	S	S	.	.	H	α-helix	trans	-67.7	-44	175.5	-178.9	0	0	0	0	111	L77 S90 V91 E92 L96 T97 I108	L77-V94 HydrophobicContact CD2-CB 4.43Å; L77-V94 HydrophobicContact CD2-CG2 3.85Å; S90-V94 PolarHBondContact O-N 3.19Å; V91-V94 WeakPolarHBondContact O-CB 3.46Å; V91-V94 PolarHBondContact O-N 2.81Å; E92-V94 VanDerWaalsContact C-N 3.35Å; V94-L96 VanDerWaalsContact C-N 3.27Å; V94-L96 PolarHBondContact O-N 2.98Å; V94-T97 VanDerWaalsContact O-CB 3.26Å; V94-T97 WeakPolarHBondContact O-CB 3.49Å; V94-T97 PolarHBondContact O-N 3.37Å; V94-T97 VanDerWaalsContact O-N 3.12Å; V94-I108 HydrophobicContact CG1-CG2 4.38Å
95	K	97.6	Very high	97.5	Very high	37 Å²	37	84.5 Å²	84.5	16%	0.161	45%	0.45	C	S	.	.	H	α-helix	trans	-59.2	-40.5	174.9	-69.8	172.2	-178.8	177.3	0	111.4	V91 E92 T97 A98 I108 Q109 S112	V91-K95 HydrophobicContact CG1-CD 4.45Å; V91-K95 WeakPolarHBondContact O-CG 3.36Å; V91-K95 PolarHBondContact O-N 3.31Å; E92-K95 PolarHBondContact O-N 3.37Å; E92-K95 IonicContact OE1-NZ 3.91Å; E92-K95 PolarHBondContact OE1-NZ 3.34Å; E92-K95 IonicContact OE2-NZ 3.95Å; K95-T97 PolarHBondContact O-N 3.17Å; K95-A98 PolarHBondContact O-N 3.41Å; K95-I108 HydrophobicContact CG-CG2 4.41Å; K95-Q109 VanDerWaalsContact CD-OE1 3.25Å; K95-S112 WeakPolarHBondContact CE-OG 3.42Å
96	L	97.6	Very high	97.6	Very high	74 Å²	74	79.2 Å²	79.2	39%	0.387	43%	0.431	S	S	.	.	H	α-helix	trans	-65	-25.8	178.7	-168	62.4	0	0	0	113.1	F80 E92 D93 V94 A98 R99	F80-L96 HydrophobicContact CB-CD2 4.18Å; F80-L96 HydrophobicContact CD1-CD2 3.51Å; F80-L96 HydrophobicContact CD1-CG 4.33Å; F80-L96 HydrophobicContact CD2-CB 4.12Å; F80-L96 HydrophobicContact CD2-CD2 4.04Å; F80-L96 HydrophobicContact CD2-CG 4.26Å; F80-L96 HydrophobicContact CE1-CD2 3.91Å; F80-L96 HydrophobicContact CE1-CG 4.33Å; F80-L96 HydrophobicContact CE2-CB 4.3Å; F80-L96 HydrophobicContact CE2-CD2 4.38Å; F80-L96 HydrophobicContact CE2-CG 4.25Å; F80-L96 HydrophobicContact CG-CD2 3.63Å; F80-L96 HydrophobicContact CG-CG 4.34Å; F80-L96 HydrophobicContact CZ-CD2 4.36Å; F80-L96 HydrophobicContact CZ-CG 4.33Å; E92-L96 WeakPolarHBondContact O-CB 3.49Å; E92-L96 PolarHBondContact O-N 3.33Å; D93-L96 PolarHBondContact O-N 3.47Å; V94-L96 VanDerWaalsContact C-N 3.27Å; V94-L96 PolarHBondContact O-N 2.98Å; L96-A98 VanDerWaalsContact C-N 3.29Å; L96-A98 PolarHBondContact O-N 3.37Å; L96-R99 HydrophobicContact CD1-CB 4.45Å; L96-R99 WeakPolarHBondContact O-CB 3.49Å; L96-R99 WeakPolarHBondContact O-CD 3.45Å; L96-R99 WeakPolarHBondContact O-CG 3.42Å; L96-R99 PolarHBondContact O-N 3.04Å; L96-R99 PolarHBondContact O-NH1 3.39Å
97	T	96.9	Very high	97.6	Very high	36 Å²	36	80.3 Å²	80.3	22%	0.221	44%	0.439	C	S	.	.	H	α-helix	trans	-65.1	-34	173.6	-54.7	0	0	0	0	111.5	F73 D93 V94 K95 R99	F73-T97 HydrophobicContact CD1-CG2 3.6Å; F73-T97 HydrophobicContact CE1-CG2 3.71Å; D93-T97 PolarHBondContact O-N 3.22Å; D93-T97 PolarHBondContact O-OG1 2.99Å; D93-T97 VanDerWaalsContact O-OG1 3.11Å; V94-T97 VanDerWaalsContact O-CB 3.26Å; V94-T97 WeakPolarHBondContact O-CB 3.49Å; V94-T97 PolarHBondContact O-N 3.37Å; V94-T97 VanDerWaalsContact O-N 3.12Å; K95-T97 PolarHBondContact O-N 3.17Å; T97-R99 VanDerWaalsContact C-N 3.34Å; T97-R99 PolarHBondContact O-N 3.47Å
98	A	97.1	Very high	97.6	Very high	6 Å²	6	76.7 Å²	76.7	5%	0.05	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-4	-179.8	0	0	0	0	0	114.6	K95 L96 R100 S101 L104 A105 I108	K95-A98 PolarHBondContact O-N 3.41Å; L96-A98 VanDerWaalsContact C-N 3.29Å; L96-A98 PolarHBondContact O-N 3.37Å; A98-R100 PolarHBondContact O-N 2.9Å; A98-S101 PolarHBondContact O-N 3.45Å; A98-S101 VanDerWaalsContact O-N 3.12Å; A98-S101 VanDerWaalsContact O-O 3.14Å; A98-L104 HydrophobicContact CB-CB 4.47Å; A98-L104 HydrophobicContact CB-CD2 4.11Å; A98-L104 HydrophobicContact CB-CG 3.88Å; A98-A105 HydrophobicContact CB-CB 4.37Å; A98-I108 HydrophobicContact CB-CB 4.47Å; A98-I108 HydrophobicContact CB-CG1 4.16Å
99	R	96.6	Very high	97.6	Very high	140 Å²	140	74.7 Å²	74.7	53%	0.528	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-25.6	-167.2	73.3	-176.8	178.6	-90.6	5.4	116.3	L96 T97 S101	L96-R99 HydrophobicContact CD1-CB 4.45Å; L96-R99 WeakPolarHBondContact O-CB 3.49Å; L96-R99 WeakPolarHBondContact O-CD 3.45Å; L96-R99 WeakPolarHBondContact O-CG 3.42Å; L96-R99 PolarHBondContact O-N 3.04Å; L96-R99 PolarHBondContact O-NH1 3.39Å; T97-R99 VanDerWaalsContact C-N 3.34Å; T97-R99 PolarHBondContact O-N 3.47Å; R99-S101 VanDerWaalsContact C-N 3.3Å; R99-S101 PolarHBondContact O-N 3.43Å
100	R	96.6	Very high	97.6	Very high	236 Å²	236	78.8 Å²	78.8	89%	0.891	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-16.1	-175.6	-65.6	-177	66.2	-175.6	-0	113.3	A98	A98-R100 PolarHBondContact O-N 2.9Å
101	S	97.6	Very high	97.6	Very high	53 Å²	53	81 Å²	81	37%	0.371	41%	0.405	S	S	.	.			trans	-125.5	115	178.1	169.3	0	0	0	0	109	A98 R99 A103 L104 A105	A98-S101 PolarHBondContact O-N 3.45Å; A98-S101 VanDerWaalsContact O-N 3.12Å; A98-S101 VanDerWaalsContact O-O 3.14Å; R99-S101 VanDerWaalsContact C-N 3.3Å; R99-S101 PolarHBondContact O-N 3.43Å; S101-A103 VanDerWaalsContact C-N 3.32Å; S101-A103 PolarHBondContact O-N 2.89Å; S101-L104 PolarHBondContact O-N 2.73Å; S101-L104 PolarHBondContact OG-N 3.19Å; S101-A105 WeakPolarHBondContact O-CB 3.45Å; S101-A105 PolarHBondContact O-N 3.46Å
102	T	97.4	Very high	97.6	Very high	116 Å²	116	78 Å²	78	71%	0.712	39%	0.388	S	S	*	.	H	α-helix	trans	-60.7	-42.3	179.9	51.5	0	0	0	0	111.8	L104 A105 N106	T102-L104 PolarHBondContact O-N 3.45Å; T102-A105 PolarHBondContact O-N 3.43Å; T102-N106 WeakPolarHBondContact O-CB 3.32Å; T102-N106 PolarHBondContact O-N 3.27Å; T102-N106 PolarHBondContact O-ND2 2.88Å
103	A	98.2	Very high	97.5	Very high	71 Å²	71	77.6 Å²	77.6	59%	0.587	39%	0.386	S	S	*	.	H	α-helix	trans	-60.6	-44.5	176.4	0	0	0	0	0	111.8	S101 F107	S101-A103 VanDerWaalsContact C-N 3.32Å; S101-A103 PolarHBondContact O-N 2.89Å; A103-F107 WeakPolarHBondContact O-CB 3.15Å; A103-F107 PolarHBondContact O-N 3.47Å; A103-F107 VanDerWaalsContact O-N 3.07Å
104	L	97.8	Very high	97.5	Very high	85 Å²	85	82 Å²	82	45%	0.445	41%	0.407	S	S	.	.	H	α-helix	trans	-69.1	-43.4	178.5	-175.1	61.4	0	0	0	111.6	A98 S101 T102 N106 F107 I108	A98-L104 HydrophobicContact CB-CB 4.47Å; A98-L104 HydrophobicContact CB-CD2 4.11Å; A98-L104 HydrophobicContact CB-CG 3.88Å; S101-L104 PolarHBondContact O-N 2.73Å; S101-L104 PolarHBondContact OG-N 3.19Å; T102-L104 PolarHBondContact O-N 3.45Å; L104-N106 VanDerWaalsContact C-N 3.31Å; L104-N106 PolarHBondContact O-N 3.17Å; L104-F107 PolarHBondContact O-N 3.46Å; L104-I108 HydrophobicContact CD1-CD1 4.46Å; L104-I108 HydrophobicContact CD1-CG1 4.08Å; L104-I108 HydrophobicContact CG-CG1 4.27Å; L104-I108 WeakPolarHBondContact O-CG1 3.14Å; L104-I108 PolarHBondContact O-N 2.94Å
105	A	97.6	Very high	97.4	Very high	30 Å²	30	83.7 Å²	83.7	25%	0.248	41%	0.412	C	S	.	.	H	α-helix	trans	-57.8	-45.3	177.6	0	0	0	0	0	111.4	A98 S101 T102 I108 Q109	A98-A105 HydrophobicContact CB-CB 4.37Å; S101-A105 WeakPolarHBondContact O-CB 3.45Å; S101-A105 PolarHBondContact O-N 3.46Å; T102-A105 PolarHBondContact O-N 3.43Å; A105-I108 PolarHBondContact O-N 3.38Å; A105-Q109 VanDerWaalsContact O-CB 3.29Å; A105-Q109 WeakPolarHBondContact O-CB 3.47Å; A105-Q109 PolarHBondContact O-N 3.45Å
106	N	98	Very high	97.3	Very high	90 Å²	90	84.9 Å²	84.9	48%	0.481	43%	0.429	S	S	.	.	H	α-helix	trans	-63.2	-42.2	176.2	-70.7	-21.5	0	0	0	112.3	T102 L104 Q109 R110	T102-N106 WeakPolarHBondContact O-CB 3.32Å; T102-N106 PolarHBondContact O-N 3.27Å; T102-N106 PolarHBondContact O-ND2 2.88Å; L104-N106 VanDerWaalsContact C-N 3.31Å; L104-N106 PolarHBondContact O-N 3.17Å; N106-Q109 PolarHBondContact O-N 2.94Å; N106-R110 WeakPolarHBondContact O-CG 3.48Å; N106-R110 PolarHBondContact O-N 3.47Å; N106-R110 VanDerWaalsContact O-N 3.11Å
107	F	98.3	Very high	97.1	Very high	110 Å²	110	84.2 Å²	84.2	48%	0.482	43%	0.43	S	S	.	.	H	α-helix	trans	-62.8	-47.9	177.5	177.1	-97.4	0	0	0	111.9	A103 L104 Q109 R110 K111	A103-F107 WeakPolarHBondContact O-CB 3.15Å; A103-F107 PolarHBondContact O-N 3.47Å; A103-F107 VanDerWaalsContact O-N 3.07Å; L104-F107 PolarHBondContact O-N 3.46Å; F107-Q109 VanDerWaalsContact C-N 3.34Å; F107-Q109 PolarHBondContact O-N 3.33Å; F107-R110 PolarHBondContact O-N 2.75Å; F107-K111 HydrophobicContact CD1-CG 4.42Å; F107-K111 HydrophobicContact CE1-CG 3.97Å; F107-K111 HydrophobicContact CE2-CG 4.4Å; F107-K111 HydrophobicContact CZ-CD 4.45Å; F107-K111 HydrophobicContact CZ-CG 3.96Å; F107-K111 PolarHBondContact O-N 3.04Å
108	I	98	Very high	96.9	Very high	47 Å²	47	84.2 Å²	84.2	24%	0.241	43%	0.434	C	S	.	.	H	α-helix	trans	-65.6	-38.4	179.2	-64.5	-62.4	0	0	0	111.3	V94 K95 A98 L104 A105 K111 S112	V94-I108 HydrophobicContact CG1-CG2 4.38Å; K95-I108 HydrophobicContact CG-CG2 4.41Å; A98-I108 HydrophobicContact CB-CB 4.47Å; A98-I108 HydrophobicContact CB-CG1 4.16Å; L104-I108 HydrophobicContact CD1-CD1 4.46Å; L104-I108 HydrophobicContact CD1-CG1 4.08Å; L104-I108 HydrophobicContact CG-CG1 4.27Å; L104-I108 WeakPolarHBondContact O-CG1 3.14Å; L104-I108 PolarHBondContact O-N 2.94Å; A105-I108 PolarHBondContact O-N 3.38Å; I108-K111 PolarHBondContact O-N 3.14Å; I108-S112 WeakPolarHBondContact O-CB 3.14Å; I108-S112 PolarHBondContact O-N 3.36Å
109	Q	97.4	Very high	96.7	Very high	64 Å²	64	87.6 Å²	87.6	30%	0.299	45%	0.451	S	S	.	.	H	α-helix	trans	-57.7	-52.4	174.7	178.2	63.3	35	0	0	111.1	K95 A105 N106 F107 K111 S112 E113	K95-Q109 VanDerWaalsContact CD-OE1 3.25Å; A105-Q109 VanDerWaalsContact O-CB 3.29Å; A105-Q109 WeakPolarHBondContact O-CB 3.47Å; A105-Q109 PolarHBondContact O-N 3.45Å; N106-Q109 PolarHBondContact O-N 2.94Å; F107-Q109 VanDerWaalsContact C-N 3.34Å; F107-Q109 PolarHBondContact O-N 3.33Å; Q109-K111 VanDerWaalsContact C-N 3.34Å; Q109-K111 PolarHBondContact O-N 3.33Å; Q109-S112 WeakPolarHBondContact O-CB 3.49Å; Q109-S112 PolarHBondContact O-N 3Å; Q109-S112 VanDerWaalsContact O-N 3.07Å; Q109-S112 PolarHBondContact O-OG 3.06Å; Q109-E113 PolarHBondContact NE2-OE1 3.06Å; Q109-E113 PolarHBondContact O-N 3.27Å; Q109-E113 VanDerWaalsContact O-N 3.14Å
110	R	97.9	Very high	96.4	Very high	154 Å²	154	85 Å²	85	58%	0.581	45%	0.445	S	S	*	.	H	α-helix	trans	-58.5	-45.6	177.3	-68.7	173.9	-169.4	161.3	2.2	111.8	N106 F107 S112 E113 E114	N106-R110 WeakPolarHBondContact O-CG 3.48Å; N106-R110 PolarHBondContact O-N 3.47Å; N106-R110 VanDerWaalsContact O-N 3.11Å; F107-R110 PolarHBondContact O-N 2.75Å; R110-S112 PolarHBondContact O-N 3.25Å; R110-E113 WeakPolarHBondContact O-CB 3.36Å; R110-E113 PolarHBondContact O-N 2.91Å; R110-E113 VanDerWaalsContact O-N 3.1Å; R110-E114 WeakPolarHBondContact O-CG 3.37Å; R110-E114 PolarHBondContact O-N 3.34Å
111	K	97.8	Very high	96.2	Very high	86 Å²	86	80 Å²	80	37%	0.374	43%	0.432	S	S	.	.	H	α-helix	trans	-60	-35.2	176.5	-76.1	-72.1	164.4	-156	0	112.6	F107 I108 Q109 E114 I115	F107-K111 HydrophobicContact CD1-CG 4.42Å; F107-K111 HydrophobicContact CE1-CG 3.97Å; F107-K111 HydrophobicContact CE2-CG 4.4Å; F107-K111 HydrophobicContact CZ-CD 4.45Å; F107-K111 HydrophobicContact CZ-CG 3.96Å; F107-K111 PolarHBondContact O-N 3.04Å; I108-K111 PolarHBondContact O-N 3.14Å; Q109-K111 VanDerWaalsContact C-N 3.34Å; Q109-K111 PolarHBondContact O-N 3.33Å; K111-E114 WeakPolarHBondContact CD-OE2 3.34Å; K111-E114 IonicContact NZ-OE1 3.76Å; K111-E114 IonicContact NZ-OE2 2.71Å; K111-E114 PolarHBondContact NZ-OE2 2.87Å; K111-I115 WeakPolarHBondContact O-CD1 3.45Å; K111-I115 VanDerWaalsContact O-CG1 3.28Å; K111-I115 WeakPolarHBondContact O-CG1 3.4Å; K111-I115 PolarHBondContact O-N 2.97Å; K111-I115 VanDerWaalsContact O-N 3.1Å
112	S	97.1	Very high	95.8	Very high	19 Å²	19	82 Å²	82	13%	0.133	44%	0.435	C	S	.	.	H	α-helix	trans	-67.1	-36.9	176.3	79.5	0	0	0	0	112.8	K95 I108 Q109 R110 I115 A116	K95-S112 WeakPolarHBondContact CE-OG 3.42Å; I108-S112 WeakPolarHBondContact O-CB 3.14Å; I108-S112 PolarHBondContact O-N 3.36Å; Q109-S112 WeakPolarHBondContact O-CB 3.49Å; Q109-S112 PolarHBondContact O-N 3Å; Q109-S112 VanDerWaalsContact O-N 3.07Å; Q109-S112 PolarHBondContact O-OG 3.06Å; R110-S112 PolarHBondContact O-N 3.25Å; S112-I115 PolarHBondContact O-N 3.44Å; S112-A116 WeakPolarHBondContact O-CB 3.45Å; S112-A116 PolarHBondContact O-N 2.85Å
113	E	96.7	Very high	95.4	Very high	105 Å²	105	84 Å²	84	49%	0.491	43%	0.43	S	S	.	.	H	α-helix	trans	-70.7	-41.1	177.2	-67.1	163.6	-175.6	0	0	111.6	Q109 R110 I115 A116 S117	Q109-E113 PolarHBondContact NE2-OE1 3.06Å; Q109-E113 PolarHBondContact O-N 3.27Å; Q109-E113 VanDerWaalsContact O-N 3.14Å; R110-E113 WeakPolarHBondContact O-CB 3.36Å; R110-E113 PolarHBondContact O-N 2.91Å; R110-E113 VanDerWaalsContact O-N 3.1Å; E113-I115 VanDerWaalsContact C-N 3.33Å; E113-I115 PolarHBondContact O-N 3.21Å; E113-A116 PolarHBondContact O-N 3.43Å; E113-S117 PolarHBondContact O-N 3.43Å; E113-S117 PolarHBondContact O-OG 2.89Å
114	E	96.8	Very high	95	Very high	98 Å²	98	83.3 Å²	83.3	46%	0.458	42%	0.416	S	S	.	.	H	α-helix	trans	-58	-44.1	172.5	-71.6	172.3	-155	0	0	111.5	R110 K111 S117 A118	R110-E114 WeakPolarHBondContact O-CG 3.37Å; R110-E114 PolarHBondContact O-N 3.34Å; K111-E114 WeakPolarHBondContact CD-OE2 3.34Å; K111-E114 IonicContact NZ-OE1 3.76Å; K111-E114 IonicContact NZ-OE2 2.71Å; K111-E114 PolarHBondContact NZ-OE2 2.87Å; E114-S117 WeakPolarHBondContact CA-OG 3.38Å; E114-S117 PolarHBondContact O-OG 3.42Å; E114-A118 WeakPolarHBondContact O-CB 3.4Å; E114-A118 PolarHBondContact O-N 2.91Å; E114-A118 VanDerWaalsContact O-N 3.09Å
115	I	96.2	Very high	94.6	Very high	101 Å²	101	82.7 Å²	82.7	52%	0.518	42%	0.416	S	S	.	.	H	α-helix	trans	-69.1	-39.8	177.9	-67.1	165.5	0	0	0	111.1	K111 S112 E113 N119	K111-I115 WeakPolarHBondContact O-CD1 3.45Å; K111-I115 VanDerWaalsContact O-CG1 3.28Å; K111-I115 WeakPolarHBondContact O-CG1 3.4Å; K111-I115 PolarHBondContact O-N 2.97Å; K111-I115 VanDerWaalsContact O-N 3.1Å; S112-I115 PolarHBondContact O-N 3.44Å; E113-I115 VanDerWaalsContact C-N 3.33Å; E113-I115 PolarHBondContact O-N 3.21Å; I115-N119 WeakPolarHBondContact O-CB 3.34Å; I115-N119 PolarHBondContact O-N 3.35Å; I115-N119 PolarHBondContact O-ND2 3.44Å
116	A	94.8	Very high	94.1	Very high	61 Å²	61	89.6 Å²	89.6	50%	0.504	44%	0.436	S	S	.	.	H	α-helix	trans	-63.4	-44.5	179.4	0	0	0	0	0	112	S112 E113 N119 Q120	S112-A116 WeakPolarHBondContact O-CB 3.45Å; S112-A116 PolarHBondContact O-N 2.85Å; E113-A116 PolarHBondContact O-N 3.43Å; A116-N119 PolarHBondContact O-N 2.91Å; A116-Q120 PolarHBondContact O-N 3.13Å; A116-Q120 VanDerWaalsContact O-N 3.09Å
117	S	94.3	Very high	93.6	Very high	60 Å²	60	91.9 Å²	91.9	42%	0.42	44%	0.442	S	S	.	.	H	α-helix	trans	-63.8	-48.8	176	49.6	0	0	0	0	111.9	E113 E114 N119 Q120 E121	E113-S117 PolarHBondContact O-N 3.43Å; E113-S117 PolarHBondContact O-OG 2.89Å; E114-S117 WeakPolarHBondContact CA-OG 3.38Å; E114-S117 PolarHBondContact O-OG 3.42Å; S117-N119 VanDerWaalsContact C-N 3.28Å; S117-N119 PolarHBondContact O-N 2.97Å; S117-Q120 WeakPolarHBondContact O-CB 3.32Å; S117-Q120 PolarHBondContact O-N 3Å; S117-E121 PolarHBondContact O-N 2.85Å
118	A	93.6	Very high	93	Very high	37 Å²	37	94.1 Å²	94.1	31%	0.306	45%	0.451	S	S	.	.	H	α-helix	trans	-58.1	-38.7	176.8	0	0	0	0	0	112.8	E114 Q122	E114-A118 WeakPolarHBondContact O-CB 3.4Å; E114-A118 PolarHBondContact O-N 2.91Å; E114-A118 VanDerWaalsContact O-N 3.09Å; A118-Q122 WeakPolarHBondContact O-CG 3.38Å; A118-Q122 PolarHBondContact O-N 3.48Å; A118-Q122 VanDerWaalsContact O-N 3.14Å
119	N	92.1	Very high	92.3	Very high	76 Å²	76	96.5 Å²	96.5	41%	0.406	46%	0.463	S	S	.	.	H	α-helix	trans	-67.9	-35.1	176.2	-76.5	-26.7	0	0	0	112.7	I115 A116 S117 R123	I115-N119 WeakPolarHBondContact O-CB 3.34Å; I115-N119 PolarHBondContact O-N 3.35Å; I115-N119 PolarHBondContact O-ND2 3.44Å; A116-N119 PolarHBondContact O-N 2.91Å; S117-N119 VanDerWaalsContact C-N 3.28Å; S117-N119 PolarHBondContact O-N 2.97Å; N119-R123 VanDerWaalsContact O-CG 3.31Å; N119-R123 WeakPolarHBondContact O-CG 3.32Å; N119-R123 PolarHBondContact O-N 2.88Å; N119-R123 VanDerWaalsContact O-N 3.11Å
120	Q	91.1	Very high	91.4	Very high	85 Å²	85	95.8 Å²	95.8	40%	0.397	47%	0.469	S	S	.	.	H	α-helix	trans	-67.6	-45.2	177.1	-174.3	56.2	40.8	0	0	110.9	A116 S117 Q122 R123 D124	A116-Q120 PolarHBondContact O-N 3.13Å; A116-Q120 VanDerWaalsContact O-N 3.09Å; S117-Q120 WeakPolarHBondContact O-CB 3.32Å; S117-Q120 PolarHBondContact O-N 3Å; Q120-Q122 VanDerWaalsContact C-N 3.32Å; Q120-Q122 PolarHBondContact O-N 2.84Å; Q120-R123 WeakPolarHBondContact O-CB 3.5Å; Q120-R123 PolarHBondContact O-N 2.69Å; Q120-D124 VanDerWaalsContact NE2-CG 3.33Å; Q120-D124 PolarHBondContact NE2-OD1 3.45Å; Q120-D124 VanDerWaalsContact NE2-OD1 3.1Å; Q120-D124 PolarHBondContact NE2-OD2 3.01Å; Q120-D124 PolarHBondContact O-N 3.18Å
121	E	90.9	Very high	90.4	Very high	131 Å²	131	90.4 Å²	90.4	61%	0.612	46%	0.461	S	S	*	.	H	α-helix	trans	-58.4	-42.6	175.6	-69	176.1	-176.4	0	0	112.2	S117 R123 D124 T125	S117-E121 PolarHBondContact O-N 2.85Å; E121-R123 VanDerWaalsContact C-N 3.32Å; E121-R123 PolarHBondContact O-N 3.2Å; E121-D124 PolarHBondContact O-N 2.99Å; E121-T125 WeakPolarHBondContact O-CG2 3.39Å; E121-T125 PolarHBondContact O-N 3.26Å; E121-T125 PolarHBondContact O-OG1 3.42Å
122	Q	89.3	Confident	89	Confident	96 Å²	96	94.1 Å²	94.1	45%	0.449	48%	0.477	S	S	.	.	H	α-helix	trans	-63.9	-35.2	174.9	-73.4	-179.9	46.6	0	0	112.9	A118 Q120 T125 R126	A118-Q122 WeakPolarHBondContact O-CG 3.38Å; A118-Q122 PolarHBondContact O-N 3.48Å; A118-Q122 VanDerWaalsContact O-N 3.14Å; Q120-Q122 VanDerWaalsContact C-N 3.32Å; Q120-Q122 PolarHBondContact O-N 2.84Å; Q122-T125 VanDerWaalsContact CA-OG1 3.31Å; Q122-T125 WeakPolarHBondContact CA-OG1 3.41Å; Q122-T125 PolarHBondContact O-OG1 3.23Å; Q122-R126 WeakPolarHBondContact O-CB 3.27Å; Q122-R126 WeakPolarHBondContact O-CG 3.49Å; Q122-R126 PolarHBondContact O-N 3.39Å; Q122-R126 VanDerWaalsContact O-N 3.14Å
123	R	88.8	Confident	87.6	Confident	159 Å²	159	101.7 Å²	101.7	60%	0.6	50%	0.502	S	S	*	.	H	α-helix	trans	-69.7	-42	176.1	-74.4	171.3	178.2	-167.8	-0.7	111.2	N119 Q120 E121 R126 K127	N119-R123 VanDerWaalsContact O-CG 3.31Å; N119-R123 WeakPolarHBondContact O-CG 3.32Å; N119-R123 PolarHBondContact O-N 2.88Å; N119-R123 VanDerWaalsContact O-N 3.11Å; Q120-R123 WeakPolarHBondContact O-CB 3.5Å; Q120-R123 PolarHBondContact O-N 2.69Å; E121-R123 VanDerWaalsContact C-N 3.32Å; E121-R123 PolarHBondContact O-N 3.2Å; R123-R126 PolarHBondContact O-N 2.85Å; R123-K127 WeakPolarHBondContact O-CG 3.15Å; R123-K127 PolarHBondContact O-N 3.36Å
124	D	89.7	Confident	86	Confident	56 Å²	56	103.7 Å²	103.7	30%	0.299	51%	0.51	S	S	.	.	H	α-helix	trans	-71.6	-36.7	-177.9	-65.1	-28.1	0	0	0	111.8	Q120 E121 K127 K128	Q120-D124 VanDerWaalsContact NE2-CG 3.33Å; Q120-D124 PolarHBondContact NE2-OD1 3.45Å; Q120-D124 VanDerWaalsContact NE2-OD1 3.1Å; Q120-D124 PolarHBondContact NE2-OD2 3.01Å; Q120-D124 PolarHBondContact O-N 3.18Å; E121-D124 PolarHBondContact O-N 2.99Å; D124-K127 PolarHBondContact O-N 2.89Å; D124-K127 IonicContact OD1-NZ 3.56Å; D124-K128 WeakPolarHBondContact O-CB 3.45Å; D124-K128 VanDerWaalsContact O-CG 3.26Å; D124-K128 WeakPolarHBondContact O-CG 3.3Å; D124-K128 PolarHBondContact O-N 3.41Å
125	T	89.8	Confident	84.2	Confident	72 Å²	72	104.5 Å²	104.5	44%	0.442	52%	0.517	S	S	.	.	H	α-helix	trans	-62.6	-44.8	170.4	49.8	0	0	0	0	111.9	E121 Q122 K127 K128 I129	E121-T125 WeakPolarHBondContact O-CG2 3.39Å; E121-T125 PolarHBondContact O-N 3.26Å; E121-T125 PolarHBondContact O-OG1 3.42Å; Q122-T125 VanDerWaalsContact CA-OG1 3.31Å; Q122-T125 WeakPolarHBondContact CA-OG1 3.41Å; Q122-T125 PolarHBondContact O-OG1 3.23Å; T125-K127 PolarHBondContact O-N 2.94Å; T125-K128 PolarHBondContact O-N 3.31Å; T125-I129 VanDerWaalsContact O-CG1 3.3Å; T125-I129 WeakPolarHBondContact O-CG1 3.47Å; T125-I129 PolarHBondContact O-N 3.07Å
126	R	87.3	Confident	82.5	Confident	174 Å²	174	104.5 Å²	104.5	66%	0.657	52%	0.522	S	S	*	.	H	α-helix	trans	-60.9	-42.1	175.2	-74.3	174.7	-171.8	-170.3	5.2	112.5	Q122 R123 I129 A130	Q122-R126 WeakPolarHBondContact O-CB 3.27Å; Q122-R126 WeakPolarHBondContact O-CG 3.49Å; Q122-R126 PolarHBondContact O-N 3.39Å; Q122-R126 VanDerWaalsContact O-N 3.14Å; R123-R126 PolarHBondContact O-N 2.85Å; R126-I129 PolarHBondContact O-N 3.18Å; R126-A130 WeakPolarHBondContact O-CB 3.45Å; R126-A130 PolarHBondContact O-N 3.4Å
127	K	88	Confident	80.7	Confident	139 Å²	139	109.5 Å²	109.5	60%	0.604	54%	0.535	S	S	*	.	H	α-helix	trans	-62.9	-43.4	175.9	-74	173.5	-176.3	173.7	0	112	R123 D124 T125 A130 G131	R123-K127 WeakPolarHBondContact O-CG 3.15Å; R123-K127 PolarHBondContact O-N 3.36Å; D124-K127 PolarHBondContact O-N 2.89Å; D124-K127 IonicContact OD1-NZ 3.56Å; T125-K127 PolarHBondContact O-N 2.94Å; K127-A130 PolarHBondContact O-N 3.48Å; K127-G131 PolarHBondContact O-N 2.92Å
128	K	85	Confident	78.9	Confident	156 Å²	156	114.2 Å²	114.2	68%	0.678	55%	0.552	S	S	*	*	H	α-helix	trans	-61	-43.9	176.2	-73	172	-176.5	179.4	0	111.8	D124 T125 G131 K132	D124-K128 WeakPolarHBondContact O-CB 3.45Å; D124-K128 VanDerWaalsContact O-CG 3.26Å; D124-K128 WeakPolarHBondContact O-CG 3.3Å; D124-K128 PolarHBondContact O-N 3.41Å; T125-K128 PolarHBondContact O-N 3.31Å; K128-G131 PolarHBondContact O-N 3.32Å; K128-K132 WeakPolarHBondContact O-CB 3.4Å; K128-K132 PolarHBondContact O-N 2.91Å
129	I	84	Confident	76.8	Confident	97 Å²	97	121 Å²	121	50%	0.497	59%	0.589	S	S	.	*	H	α-helix	trans	-64.4	-44.9	177.1	-65.9	164.4	0	0	0	111.1	T125 R126 G131 K132 R133	T125-I129 VanDerWaalsContact O-CG1 3.3Å; T125-I129 WeakPolarHBondContact O-CG1 3.47Å; T125-I129 PolarHBondContact O-N 3.07Å; R126-I129 PolarHBondContact O-N 3.18Å; I129-G131 PolarHBondContact O-N 3.36Å; I129-K132 PolarHBondContact O-N 2.85Å; I129-R133 PolarHBondContact O-N 3.09Å; I129-R133 VanDerWaalsContact O-N 3.14Å
130	A	79.1	Confident	76	Confident	50 Å²	50	123.3 Å²	123.3	41%	0.413	60%	0.599	S	S	.	*	H	α-helix	trans	-64.5	-38.4	178.1	0	0	0	0	0	112.5	R126 K127 K134	R126-A130 WeakPolarHBondContact O-CB 3.45Å; R126-A130 PolarHBondContact O-N 3.4Å; K127-A130 PolarHBondContact O-N 3.48Å; A130-K134 PolarHBondContact O-N 3.31Å
131	G	75.3	Confident	75.2	Confident	40 Å²	40	125.3 Å²	125.3	41%	0.412	61%	0.609	S	S	.	*	H	α-helix	trans	-65.1	-41.3	174.2	0	0	0	0	0	112.8	K127 K128 I129 R133 K134 N135	K127-G131 PolarHBondContact O-N 2.92Å; K128-G131 PolarHBondContact O-N 3.32Å; I129-G131 PolarHBondContact O-N 3.36Å; G131-R133 PolarHBondContact O-N 2.84Å; G131-K134 PolarHBondContact O-N 3.21Å; G131-N135 PolarHBondContact O-N 2.66Å
132	K	69.9	Low	74.3	Confident	164 Å²	164	125 Å²	125	71%	0.713	61%	0.609	S	S	*	*	H	α-helix	trans	-65	-36.6	178.4	-162.7	173.9	-177.8	179.9	0	112.7	K128 I129 N135 T136	K128-K132 WeakPolarHBondContact O-CB 3.4Å; K128-K132 PolarHBondContact O-N 2.91Å; I129-K132 PolarHBondContact O-N 2.85Å; K132-N135 PolarHBondContact O-N 3.04Å; K132-T136 PolarHBondContact O-N 2.8Å; K132-T136 PolarHBondContact O-OG1 2.89Å
133	R	67.4	Low	73.5	Confident	178 Å²	178	126.7 Å²	126.7	67%	0.672	62%	0.619	S	S	*	*	H	α-helix	trans	-64.9	-47.3	175.7	-75.1	-179.5	171.1	179.1	-3.6	112.5	I129 G131 N135 T136 E137	I129-R133 PolarHBondContact O-N 3.09Å; I129-R133 VanDerWaalsContact O-N 3.14Å; G131-R133 PolarHBondContact O-N 2.84Å; R133-N135 VanDerWaalsContact C-N 3.26Å; R133-N135 PolarHBondContact O-N 2.75Å; R133-T136 PolarHBondContact O-N 2.8Å; R133-E137 PolarHBondContact O-N 2.73Å
134	K	63.5	Low	72.5	Confident	148 Å²	148	124.7 Å²	124.7	64%	0.643	62%	0.62	S	S	*	*	H	α-helix	trans	-60.9	-35	177.4	-69.9	-176.5	177.6	-170.2	0	113	A130 G131 T136 M138	A130-K134 PolarHBondContact O-N 3.31Å; G131-K134 PolarHBondContact O-N 3.21Å; K134-T136 VanDerWaalsContact C-N 3.28Å; K134-T136 PolarHBondContact O-N 2.84Å; K134-M138 WeakPolarHBondContact O-CG 3.5Å
135	N	58.4	Low	71.4	Confident	115 Å²	115	129.3 Å²	129.3	62%	0.615	64%	0.641	S	S	*	*	H	α-helix	trans	-76.8	-14	178	-152.9	56.5	0	0	0	113.6	G131 K132 R133	G131-N135 PolarHBondContact O-N 2.66Å; K132-N135 PolarHBondContact O-N 3.04Å; R133-N135 VanDerWaalsContact C-N 3.26Å; R133-N135 PolarHBondContact O-N 2.75Å
136	T	60.2	Low	70	Confident	100 Å²	100	133.4 Å²	133.4	61%	0.613	66%	0.655	S	S	*	*	H	α-helix	trans	-92.5	-30.2	176.7	-49.8	0	0	0	0	111.4	K132 R133 K134 M138	K132-T136 PolarHBondContact O-N 2.8Å; K132-T136 PolarHBondContact O-OG1 2.89Å; R133-T136 PolarHBondContact O-N 2.8Å; K134-T136 VanDerWaalsContact C-N 3.28Å; K134-T136 PolarHBondContact O-N 2.84Å; T136-M138 VanDerWaalsContact C-N 3.27Å; T136-M138 PolarHBondContact O-N 3.1Å
137	E	57.8	Low	68.7	Low	167 Å²	167	130.2 Å²	130.2	78%	0.78	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-9.1	175.1	-70.7	177.7	154.4	0	0	113.7	R133	R133-E137 PolarHBondContact O-N 2.73Å
138	M	55.3	Low	67.1	Low	159 Å²	159	129.5 Å²	129.5	78%	0.783	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	5.6	178.4	-76.3	-177.6	51.9	0	0	113.9	K134 T136	K134-M138 WeakPolarHBondContact O-CG 3.5Å; T136-M138 VanDerWaalsContact C-N 3.27Å; T136-M138 PolarHBondContact O-N 3.1Å
139	V	49.1	Very low	65.5	Low	180 Å²	180	127.1 Å²	127.1	100%	1.091	66%	0.658	S	S	*	*			trans	-114.7	0	176.4	-177.9	0	0	0	0	109.6

Retrieved 139 of 139 residues in 568.8 ms (Link to these results)

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