G4VNL4_SCHMA Loading...

Putative programmed cell death

AlphaFold DB , UniProt , Accession G4VNL4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 112 aa.

						>G4VNL4_SCHMA|G4VNL4
MIPGGESGNDKDTKQKEDAEKRNQEIRASILAQILDQDARARLNTIAITKPEKAKMVENMLINMAQTGRLGPKLNEEQLKQILLQVSSGTQKSTTVKFDRRRAAIDSDEDSL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.6	Very low	54.4	Low	244 Å²	244	134.7 Å²	134.7	100%	1.202	82%	0.817	S	S	*	*				0	96	0	-86.5	141	163.2	0	0	109
2	I	50.9	Low	55	Low	166 Å²	166	131.7 Å²	131.7	85%	0.851	79%	0.793	S	S	*	*			trans	-147.8	126.2	156.1	-55.8	-174.9	0	0	0	106.9
3	P	55	Low	55.7	Low	127 Å²	127	127.6 Å²	127.6	83%	0.825	77%	0.769	S	S	*	*			trans	-94	162.3	-179.5	37.9	-32.1	0	0	0	111.7
4	G	49.2	Very low	56.4	Low	90 Å²	90	129.8 Å²	129.8	93%	0.928	76%	0.763	S	S	*	*			trans	132.1	96.1	159.5	0	0	0	0	0	114.9
5	G	51.3	Low	57.2	Low	84 Å²	84	130.1 Å²	130.1	87%	0.866	75%	0.754	S	S	*	*			trans	-160.7	54.8	175.5	0	0	0	0	0	111.7
6	E	50.1	Low	58.1	Low	188 Å²	188	131.1 Å²	131.1	88%	0.879	75%	0.747	S	S	*	*			trans	-140.7	91.6	178	-163.6	157.6	83.9	0	0	108.9
7	S	56.5	Low	59.1	Low	108 Å²	108	129.5 Å²	129.5	76%	0.755	73%	0.731	S	S	*	*			trans	-168.9	27.9	171.3	-82.1	0	0	0	0	113.4
8	G	58.5	Low	60	Low	59 Å²	59	126.8 Å²	126.8	61%	0.608	72%	0.715	S	S	*	*	S	Bend	trans	-93.5	-13.8	-173.7	0	0	0	0	0	116.5
9	N	60.3	Low	61	Low	137 Å²	137	122.2 Å²	122.2	73%	0.733	69%	0.694	S	S	*	*	S	Bend	trans	-108.3	-11.9	-166	-96.4	-2.5	0	0	0	116.1
10	D	59.8	Low	61.9	Low	127 Å²	127	121.8 Å²	121.8	68%	0.679	69%	0.686	S	S	*	*	H	α-helix	trans	-86.1	-13.1	-176.9	-67.1	-92.1	0	0	0	114.6	T13	D10-T13 PolarHBondContact O-OG1 3.25Å
11	K	59.4	Low	62.7	Low	152 Å²	152	121.4 Å²	121.4	66%	0.661	68%	0.677	S	S	*	*	H	α-helix	trans	-83.1	-34.1	-178.3	-69.1	-178.4	-176.4	176.1	0	112.4	Q15	K11-Q15 WeakPolarHBondContact O-CG 3.46Å; K11-Q15 PolarHBondContact O-N 3.24Å
12	D	61.9	Low	64.3	Low	98 Å²	98	116.2 Å²	116.2	52%	0.524	64%	0.644	S	S	.	*	H	α-helix	trans	-75.1	-33.8	-178.2	-68.3	-91.9	0	0	0	113.3	K16	D12-K16 WeakPolarHBondContact O-CG 3.27Å; D12-K16 PolarHBondContact O-N 2.78Å
13	T	63.6	Low	65.7	Low	79 Å²	79	112.4 Å²	112.4	49%	0.485	63%	0.625	S	S	.	*	H	α-helix	trans	-68.4	-45.8	175.8	43.2	0	0	0	0	111.4	D10 Q15 K16 E17	D10-T13 PolarHBondContact O-OG1 3.25Å; T13-Q15 PolarHBondContact O-N 2.95Å; T13-K16 PolarHBondContact O-N 3.17Å; T13-E17 PolarHBondContact O-N 3.38Å; T13-E17 VanDerWaalsContact O-N 3.1Å
14	K	65.2	Low	66.9	Low	158 Å²	158	112.1 Å²	112.1	69%	0.687	61%	0.613	S	S	*	*	H	α-helix	trans	-66.6	-35.7	-178.5	-156.2	170.4	-177	177.5	0	112.9	D18	K14-D18 WeakPolarHBondContact O-CB 3.43Å; K14-D18 PolarHBondContact O-N 2.86Å
15	Q	68.1	Low	68.5	Low	135 Å²	135	114 Å²	114	63%	0.631	60%	0.597	S	S	*	*	H	α-helix	trans	-68.9	-36.4	175.5	-76	-179.6	36.3	0	0	112.9	K11 T13 A19	K11-Q15 WeakPolarHBondContact O-CG 3.46Å; K11-Q15 PolarHBondContact O-N 3.24Å; T13-Q15 PolarHBondContact O-N 2.95Å; Q15-A19 WeakPolarHBondContact O-CB 3.19Å; Q15-A19 PolarHBondContact O-N 2.78Å
16	K	72	Confident	69.9	Low	146 Å²	146	114.2 Å²	114.2	64%	0.635	58%	0.578	S	S	*	*	H	α-helix	trans	-67.1	-47.8	176.4	-79	179.5	177.5	177.4	0	111.9	D12 T13 D18 A19 E20	D12-K16 WeakPolarHBondContact O-CG 3.27Å; D12-K16 PolarHBondContact O-N 2.78Å; T13-K16 PolarHBondContact O-N 3.17Å; K16-D18 VanDerWaalsContact C-N 3.25Å; K16-D18 PolarHBondContact O-N 3.31Å; K16-A19 PolarHBondContact O-N 2.85Å; K16-E20 WeakPolarHBondContact O-CG 3.3Å; K16-E20 PolarHBondContact O-N 2.96Å
17	E	74.5	Confident	71.3	Confident	103 Å²	103	110.8 Å²	110.8	48%	0.481	56%	0.557	S	S	.	*	H	α-helix	trans	-58.8	-39.3	177	-79.2	-177.5	69.3	0	0	112.2	T13 E20 K21	T13-E17 PolarHBondContact O-N 3.38Å; T13-E17 VanDerWaalsContact O-N 3.1Å; E17-E20 PolarHBondContact O-N 3.1Å; E17-K21 WeakPolarHBondContact O-CB 3.48Å; E17-K21 VanDerWaalsContact O-CG 3.26Å; E17-K21 WeakPolarHBondContact O-CG 3.16Å; E17-K21 PolarHBondContact O-N 2.84Å
18	D	76.5	Confident	72.5	Confident	82 Å²	82	108.3 Å²	108.3	44%	0.439	54%	0.543	S	S	.	.	H	α-helix	trans	-68.9	-39.7	179.5	-153.8	-82.3	0	0	0	112	K14 K16 R22	K14-D18 WeakPolarHBondContact O-CB 3.43Å; K14-D18 PolarHBondContact O-N 2.86Å; K16-D18 VanDerWaalsContact C-N 3.25Å; K16-D18 PolarHBondContact O-N 3.31Å; D18-R22 WeakPolarHBondContact O-CB 3.2Å; D18-R22 WeakPolarHBondContact O-CG 3.46Å; D18-R22 PolarHBondContact O-N 3.19Å; D18-R22 PolarHBondContact O-NE 3.31Å; D18-R22 IonicContact OD1-CZ 3.52Å; D18-R22 IonicContact OD1-NE 2.93Å; D18-R22 PolarHBondContact OD1-NE 2.92Å; D18-R22 IonicContact OD1-NH2 3.3Å; D18-R22 PolarHBondContact OD1-NH2 3.02Å
19	A	78.5	Confident	73.7	Confident	38 Å²	38	108.4 Å²	108.4	31%	0.314	53%	0.534	S	S	.	.	H	α-helix	trans	-66.2	-39	174.1	0	0	0	0	0	112.3	Q15 K16 N23	Q15-A19 WeakPolarHBondContact O-CB 3.19Å; Q15-A19 PolarHBondContact O-N 2.78Å; K16-A19 PolarHBondContact O-N 2.85Å; A19-N23 WeakPolarHBondContact O-CB 3.35Å; A19-N23 PolarHBondContact O-N 2.91Å; A19-N23 PolarHBondContact O-ND2 3.22Å
20	E	78.6	Confident	74.7	Confident	114 Å²	114	103 Å²	103	53%	0.533	51%	0.505	S	S	.	.	H	α-helix	trans	-66.9	-44.2	176.2	-72.1	-177.6	100.4	0	0	111.8	K16 E17 N23 Q24	K16-E20 WeakPolarHBondContact O-CG 3.3Å; K16-E20 PolarHBondContact O-N 2.96Å; E17-E20 PolarHBondContact O-N 3.1Å; E20-N23 WeakPolarHBondContact O-CB 3.48Å; E20-N23 PolarHBondContact O-N 3.4Å; E20-Q24 VanDerWaalsContact O-CG 3.31Å; E20-Q24 WeakPolarHBondContact O-CG 3.21Å; E20-Q24 PolarHBondContact O-N 3.48Å
21	K	80	Confident	75.8	Confident	114 Å²	114	97.9 Å²	97.9	50%	0.496	48%	0.478	S	S	.	.	H	α-helix	trans	-59.4	-49.8	174.3	-75.7	171.8	-173.8	171	0	111.1	E17 N23 Q24 E25	E17-K21 WeakPolarHBondContact O-CB 3.48Å; E17-K21 VanDerWaalsContact O-CG 3.26Å; E17-K21 WeakPolarHBondContact O-CG 3.16Å; E17-K21 PolarHBondContact O-N 2.84Å; K21-N23 VanDerWaalsContact C-N 3.28Å; K21-N23 PolarHBondContact O-N 2.95Å; K21-Q24 CarbonylContact O-C 3.59Å; K21-Q24 WeakPolarHBondContact O-CB 3.19Å; K21-Q24 PolarHBondContact O-N 3.08Å; K21-E25 WeakPolarHBondContact O-CG 3.38Å; K21-E25 PolarHBondContact O-N 2.89Å
22	R	80.4	Confident	76.9	Confident	136 Å²	136	92.4 Å²	92.4	51%	0.513	46%	0.46	S	S	.	.	H	α-helix	trans	-57.1	-42.2	175.9	-78.8	-174.9	-83.9	150.9	-2.7	112.1	D18 Q24 E25 I26	D18-R22 WeakPolarHBondContact O-CB 3.2Å; D18-R22 WeakPolarHBondContact O-CG 3.46Å; D18-R22 PolarHBondContact O-N 3.19Å; D18-R22 PolarHBondContact O-NE 3.31Å; D18-R22 IonicContact OD1-CZ 3.52Å; D18-R22 IonicContact OD1-NE 2.93Å; D18-R22 PolarHBondContact OD1-NE 2.92Å; D18-R22 IonicContact OD1-NH2 3.3Å; D18-R22 PolarHBondContact OD1-NH2 3.02Å; R22-Q24 PolarHBondContact O-N 2.71Å; R22-E25 PolarHBondContact O-N 3.02Å; R22-I26 WeakPolarHBondContact O-CB 3.43Å; R22-I26 WeakPolarHBondContact O-CD1 3.42Å; R22-I26 WeakPolarHBondContact O-CG1 3.29Å; R22-I26 PolarHBondContact O-N 3.22Å
23	N	79.3	Confident	77.9	Confident	85 Å²	85	94 Å²	94	46%	0.455	47%	0.465	S	S	.	.	H	α-helix	trans	-63.1	-41.5	175.5	-82.5	-37.3	0	0	0	112.6	A19 E20 K21 R27	A19-N23 WeakPolarHBondContact O-CB 3.35Å; A19-N23 PolarHBondContact O-N 2.91Å; A19-N23 PolarHBondContact O-ND2 3.22Å; E20-N23 WeakPolarHBondContact O-CB 3.48Å; E20-N23 PolarHBondContact O-N 3.4Å; K21-N23 VanDerWaalsContact C-N 3.28Å; K21-N23 PolarHBondContact O-N 2.95Å; N23-R27 WeakPolarHBondContact O-CB 3.39Å; N23-R27 WeakPolarHBondContact O-CG 3.23Å; N23-R27 PolarHBondContact O-N 3.22Å
24	Q	80.4	Confident	78.8	Confident	121 Å²	121	90.8 Å²	90.8	57%	0.565	45%	0.445	S	S	*	.	H	α-helix	trans	-67	-41.9	176.8	-69.5	174.1	24.3	0	0	111.6	E20 K21 R22 R27 A28	E20-Q24 VanDerWaalsContact O-CG 3.31Å; E20-Q24 WeakPolarHBondContact O-CG 3.21Å; E20-Q24 PolarHBondContact O-N 3.48Å; K21-Q24 CarbonylContact O-C 3.59Å; K21-Q24 WeakPolarHBondContact O-CB 3.19Å; K21-Q24 PolarHBondContact O-N 3.08Å; R22-Q24 PolarHBondContact O-N 2.71Å; Q24-R27 PolarHBondContact O-N 2.93Å; Q24-A28 WeakPolarHBondContact O-CB 3.45Å; Q24-A28 PolarHBondContact O-N 3.4Å
25	E	82.8	Confident	79.8	Confident	130 Å²	130	83.5 Å²	83.5	61%	0.607	41%	0.413	S	S	*	.	H	α-helix	trans	-64.2	-43.9	176.4	-71.5	-178.3	110.1	0	0	111.7	K21 R22 R27 A28 S29	K21-E25 WeakPolarHBondContact O-CG 3.38Å; K21-E25 PolarHBondContact O-N 2.89Å; R22-E25 PolarHBondContact O-N 3.02Å; E25-R27 VanDerWaalsContact C-N 3.33Å; E25-R27 PolarHBondContact O-N 3.44Å; E25-A28 PolarHBondContact O-N 2.94Å; E25-S29 WeakPolarHBondContact O-CB 3.47Å; E25-S29 PolarHBondContact O-N 3.24Å
26	I	80.9	Confident	80.7	Confident	89 Å²	89	79.7 Å²	79.7	46%	0.456	40%	0.397	S	S	.	.	H	α-helix	trans	-59.3	-46.9	174.1	-69.9	162.8	0	0	0	109.7	R22 S29 I30	R22-I26 WeakPolarHBondContact O-CB 3.43Å; R22-I26 WeakPolarHBondContact O-CD1 3.42Å; R22-I26 WeakPolarHBondContact O-CG1 3.29Å; R22-I26 PolarHBondContact O-N 3.22Å; I26-S29 PolarHBondContact O-N 3.37Å; I26-I30 HydrophobicContact CG2-CD1 3.7Å; I26-I30 HydrophobicContact CG2-CG1 4.39Å; I26-I30 WeakPolarHBondContact O-CB 3.3Å; I26-I30 WeakPolarHBondContact O-CG1 3.45Å; I26-I30 PolarHBondContact O-N 3.3Å
27	R	80.3	Confident	81.4	Confident	116 Å²	116	80.3 Å²	80.3	44%	0.438	40%	0.402	S	S	.	.	H	α-helix	trans	-61.1	-45.4	177.1	-72.9	171.2	-174.4	-167.1	4	112	N23 Q24 E25 I30 L31 I62	N23-R27 WeakPolarHBondContact O-CB 3.39Å; N23-R27 WeakPolarHBondContact O-CG 3.23Å; N23-R27 PolarHBondContact O-N 3.22Å; Q24-R27 PolarHBondContact O-N 2.93Å; E25-R27 VanDerWaalsContact C-N 3.33Å; E25-R27 PolarHBondContact O-N 3.44Å; R27-I30 WeakPolarHBondContact O-CB 3.39Å; R27-I30 PolarHBondContact O-N 3.09Å; R27-L31 WeakPolarHBondContact O-CB 3.3Å; R27-L31 WeakPolarHBondContact O-CD1 3.3Å; R27-L31 VanDerWaalsContact O-CG 3.23Å; R27-L31 WeakPolarHBondContact O-CG 3.24Å; R27-L31 PolarHBondContact O-N 2.84Å; R27-I62 HydrophobicContact CB-CD1 4.1Å; R27-I62 HydrophobicContact CB-CG1 4.46Å; R27-I62 HydrophobicContact CG-CD1 3.95Å; R27-I62 HydrophobicContact CG-CG1 4.37Å; R27-I62 HydrophobicContact CG-CG2 4.19Å
28	A	81.7	Confident	82.1	Confident	56 Å²	56	80.6 Å²	80.6	46%	0.463	41%	0.407	S	S	.	.	H	α-helix	trans	-66.3	-41.1	179.6	0	0	0	0	0	111.8	Q24 E25 L31 A32	Q24-A28 WeakPolarHBondContact O-CB 3.45Å; Q24-A28 PolarHBondContact O-N 3.4Å; E25-A28 PolarHBondContact O-N 2.94Å; A28-L31 PolarHBondContact O-N 3.45Å; A28-A32 WeakPolarHBondContact O-CB 2.91Å; A28-A32 PolarHBondContact O-N 3.18Å
29	S	83.5	Confident	82.7	Confident	61 Å²	61	76.7 Å²	76.7	43%	0.427	39%	0.386	S	S	.	.	H	α-helix	trans	-64.3	-46.2	176.2	-174.4	0	0	0	0	111	E25 I26 L31 A32 Q33	E25-S29 WeakPolarHBondContact O-CB 3.47Å; E25-S29 PolarHBondContact O-N 3.24Å; I26-S29 PolarHBondContact O-N 3.37Å; S29-L31 PolarHBondContact O-N 2.91Å; S29-A32 CarbonylContact O-C 3.6Å; S29-A32 PolarHBondContact O-N 3.41Å; S29-Q33 WeakPolarHBondContact O-CB 3.34Å; S29-Q33 WeakPolarHBondContact O-CG 3.45Å; S29-Q33 PolarHBondContact O-N 2.92Å
30	I	82.1	Confident	83.1	Confident	22 Å²	22	81.6 Å²	81.6	11%	0.113	40%	0.396	C	S	.	.	H	α-helix	trans	-53.1	-53.8	171.1	-82.2	170.7	0	0	0	110.5	I26 R27 A32 Q33 I34 A65 Q66	I26-I30 HydrophobicContact CG2-CD1 3.7Å; I26-I30 HydrophobicContact CG2-CG1 4.39Å; I26-I30 WeakPolarHBondContact O-CB 3.3Å; I26-I30 WeakPolarHBondContact O-CG1 3.45Å; I26-I30 PolarHBondContact O-N 3.3Å; R27-I30 WeakPolarHBondContact O-CB 3.39Å; R27-I30 PolarHBondContact O-N 3.09Å; I30-A32 VanDerWaalsContact C-N 3.25Å; I30-A32 PolarHBondContact O-N 3.49Å; I30-Q33 PolarHBondContact O-N 3.25Å; I30-Q33 VanDerWaalsContact O-N 3.1Å; I30-I34 HydrophobicContact CG2-CD1 3.82Å; I30-I34 WeakPolarHBondContact O-CG1 3.46Å; I30-I34 VanDerWaalsContact O-CG2 3.23Å; I30-I34 WeakPolarHBondContact O-CG2 3.33Å; I30-I34 PolarHBondContact O-N 3.01Å; I30-A65 HydrophobicContact CB-CB 4.1Å; I30-A65 HydrophobicContact CD1-CB 4.04Å; I30-A65 HydrophobicContact CG1-CB 4.02Å; I30-A65 HydrophobicContact CG2-CB 3.04Å; I30-Q66 HydrophobicContact CD1-CG 4.18Å
31	L	81.4	Confident	83.6	Confident	21 Å²	21	78.9 Å²	78.9	11%	0.11	39%	0.393	C	S	.	.	H	α-helix	trans	-60.1	-38.6	-179.3	-74.5	165.2	0	0	0	111	R27 A28 S29 I34 L35 E58 L61 I62	R27-L31 WeakPolarHBondContact O-CB 3.3Å; R27-L31 WeakPolarHBondContact O-CD1 3.3Å; R27-L31 VanDerWaalsContact O-CG 3.23Å; R27-L31 WeakPolarHBondContact O-CG 3.24Å; R27-L31 PolarHBondContact O-N 2.84Å; A28-L31 PolarHBondContact O-N 3.45Å; S29-L31 PolarHBondContact O-N 2.91Å; L31-I34 HydrophobicContact CD2-CD1 4.25Å; L31-I34 PolarHBondContact O-N 3.47Å; L31-L35 HydrophobicContact CB-CD1 4.29Å; L31-L35 HydrophobicContact CD2-CD1 3.94Å; L31-L35 WeakPolarHBondContact O-CB 3.18Å; L31-L35 WeakPolarHBondContact O-CG 3.06Å; L31-L35 PolarHBondContact O-N 2.82Å; L31-E58 HydrophobicContact CD1-CG 4.49Å; L31-E58 HydrophobicContact CD2-CG 4.46Å; L31-L61 HydrophobicContact CD2-CB 3.95Å; L31-L61 HydrophobicContact CD2-CD1 4.03Å; L31-I62 HydrophobicContact CD1-CD1 4.3Å; L31-I62 HydrophobicContact CD1-CG1 4.4Å; L31-I62 HydrophobicContact CD2-CG1 4.33Å; L31-I62 HydrophobicContact CG-CG1 4.24Å
32	A	82.9	Confident	83.9	Confident	36 Å²	36	78.4 Å²	78.4	30%	0.298	39%	0.389	S	S	.	.	H	α-helix	trans	-71.3	-29.7	177	0	0	0	0	0	113.7	A28 S29 I30	A28-A32 WeakPolarHBondContact O-CB 2.91Å; A28-A32 PolarHBondContact O-N 3.18Å; S29-A32 CarbonylContact O-C 3.6Å; S29-A32 PolarHBondContact O-N 3.41Å; I30-A32 VanDerWaalsContact C-N 3.25Å; I30-A32 PolarHBondContact O-N 3.49Å
33	Q	83.6	Confident	84.3	Confident	132 Å²	132	72.5 Å²	72.5	62%	0.617	37%	0.367	S	S	*	.	H	α-helix	trans	-76.3	-27.6	175.6	-75.8	-177.1	-9.9	0	0	112.4	S29 I30 K73	S29-Q33 WeakPolarHBondContact O-CB 3.34Å; S29-Q33 WeakPolarHBondContact O-CG 3.45Å; S29-Q33 PolarHBondContact O-N 2.92Å; I30-Q33 PolarHBondContact O-N 3.25Å; I30-Q33 VanDerWaalsContact O-N 3.1Å; Q33-K73 WeakPolarHBondContact O-CG 3.38Å
34	I	82.2	Confident	84.7	Confident	12 Å²	12	73.2 Å²	73.2	6%	0.062	37%	0.371	C	S	.	.	H	α-helix	trans	-109.1	-10.2	-170.9	75	-172.1	0	0	0	112.6	I30 L31 L61 A65 L70 L74	I30-I34 HydrophobicContact CG2-CD1 3.82Å; I30-I34 WeakPolarHBondContact O-CG1 3.46Å; I30-I34 VanDerWaalsContact O-CG2 3.23Å; I30-I34 WeakPolarHBondContact O-CG2 3.33Å; I30-I34 PolarHBondContact O-N 3.01Å; L31-I34 HydrophobicContact CD2-CD1 4.25Å; L31-I34 PolarHBondContact O-N 3.47Å; I34-L61 HydrophobicContact CD1-CB 3.67Å; I34-L61 HydrophobicContact CD1-CD2 3.94Å; I34-L61 HydrophobicContact CD1-CG 4.33Å; I34-L61 HydrophobicContact CG1-CD2 4.36Å; I34-A65 HydrophobicContact CD1-CB 4.38Å; I34-L70 HydrophobicContact CB-CD1 3.7Å; I34-L70 HydrophobicContact CD1-CD1 3.37Å; I34-L70 HydrophobicContact CG1-CD1 4.06Å; I34-L70 HydrophobicContact CG2-CB 4.07Å; I34-L70 HydrophobicContact CG2-CD1 3.3Å; I34-L70 HydrophobicContact CG2-CG 4.31Å; I34-L74 WeakPolarHBondContact O-CA 3.4Å; I34-L74 WeakPolarHBondContact O-CB 3.4Å; I34-L74 WeakPolarHBondContact O-CG 3.11Å; I34-L74 PolarHBondContact O-N 3.4Å
35	L	85.4	Confident	85.2	Confident	4 Å²	4	71 Å²	71	2%	0.021	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-116.6	131.2	173.6	-64.4	165.4	0	0	0	108.9	L31 A39 R40 L43 L61 L74 L79	L31-L35 HydrophobicContact CB-CD1 4.29Å; L31-L35 HydrophobicContact CD2-CD1 3.94Å; L31-L35 WeakPolarHBondContact O-CB 3.18Å; L31-L35 WeakPolarHBondContact O-CG 3.06Å; L31-L35 PolarHBondContact O-N 2.82Å; L35-A39 HydrophobicContact CB-CB 4.06Å; L35-A39 HydrophobicContact CD2-CB 3.85Å; L35-R40 HydrophobicContact CB-CG 3.66Å; L35-R40 HydrophobicContact CD1-CG 4.29Å; L35-L43 HydrophobicContact CD1-CD2 3.67Å; L35-L61 HydrophobicContact CD1-CD1 4.09Å; L35-L61 HydrophobicContact CD2-CD1 3.89Å; L35-L61 HydrophobicContact CD2-CD2 4.49Å; L35-L61 HydrophobicContact CG-CD1 4.25Å; L35-L74 HydrophobicContact CD2-CB 4.19Å; L35-L79 HydrophobicContact CD2-CD1 3.91Å
36	D	87.4	Confident	85.4	Confident	55 Å²	55	65.2 Å²	65.2	29%	0.294	34%	0.339	S	S	.	.			trans	-69.5	166.1	168.9	-145	-45.4	0	0	0	111.2	D38 A39 R40 L74	D36-D38 VanDerWaalsContact C-N 3.28Å; D36-D38 PolarHBondContact O-N 3.04Å; D36-A39 WeakPolarHBondContact O-CB 3.38Å; D36-A39 PolarHBondContact O-N 3.31Å; D36-R40 WeakPolarHBondContact O-CG 3.49Å; D36-R40 PolarHBondContact O-N 2.85Å; D36-L74 PolarHBondContact N-O 2.86Å
37	Q	87.5	Confident	85.7	Confident	159 Å²	159	62.7 Å²	62.7	74%	0.743	33%	0.331	S	S	*	.	H	α-helix	trans	-52	-46.1	178.6	-176.4	177.1	-18.8	0	0	111.7	A39 R40 A41	Q37-A39 PolarHBondContact O-N 3.03Å; Q37-R40 PolarHBondContact O-N 2.72Å; Q37-A41 PolarHBondContact O-N 3.5Å
38	D	89.7	Confident	86.2	Confident	109 Å²	109	63.4 Å²	63.4	58%	0.583	34%	0.343	S	S	*	.	H	α-helix	trans	-63.6	-40.5	176.5	-67	-74.6	0	0	0	112.4	D36 A41 R42 E76	D36-D38 VanDerWaalsContact C-N 3.28Å; D36-D38 PolarHBondContact O-N 3.04Å; D38-A41 PolarHBondContact O-N 2.95Å; D38-R42 WeakPolarHBondContact O-CB 3.42Å; D38-R42 PolarHBondContact O-N 3.42Å; D38-E76 HydrophobicContact CB-CB 4.12Å
39	A	87.7	Confident	86.7	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-66.3	-42.5	177.4	0	0	0	0	0	111.3	L35 D36 Q37 A41 R42 L43 L74 L79	L35-A39 HydrophobicContact CB-CB 4.06Å; L35-A39 HydrophobicContact CD2-CB 3.85Å; D36-A39 WeakPolarHBondContact O-CB 3.38Å; D36-A39 PolarHBondContact O-N 3.31Å; Q37-A39 PolarHBondContact O-N 3.03Å; A39-A41 PolarHBondContact O-N 2.86Å; A39-R42 PolarHBondContact O-N 2.78Å; A39-L43 WeakPolarHBondContact O-CB 3.17Å; A39-L43 PolarHBondContact O-N 3.37Å; A39-L74 WeakPolarHBondContact CB-O 3.4Å; A39-L79 HydrophobicContact CB-CB 4.33Å; A39-L79 HydrophobicContact CB-CD2 4.22Å; A39-L79 WeakPolarHBondContact O-CD2 3.49Å
40	R	86.6	Confident	86.8	Confident	141 Å²	141	68.5 Å²	68.5	53%	0.532	36%	0.355	S	S	.	.	H	α-helix	trans	-60.7	-44.9	175.3	-69.5	179	67.4	-170.7	-0.3	111.8	L35 D36 Q37 R42 L43 N44	L35-R40 HydrophobicContact CB-CG 3.66Å; L35-R40 HydrophobicContact CD1-CG 4.29Å; D36-R40 WeakPolarHBondContact O-CG 3.49Å; D36-R40 PolarHBondContact O-N 2.85Å; Q37-R40 PolarHBondContact O-N 2.72Å; R40-R42 VanDerWaalsContact C-N 3.32Å; R40-R42 PolarHBondContact O-N 3.34Å; R40-L43 PolarHBondContact O-N 3.32Å; R40-N44 WeakPolarHBondContact O-CB 3.45Å; R40-N44 PolarHBondContact O-N 3.17Å
41	A	89.4	Confident	87.1	Confident	57 Å²	57	70.9 Å²	70.9	47%	0.471	37%	0.371	S	S	.	.	H	α-helix	trans	-61	-43.4	176.8	0	0	0	0	0	111.5	Q37 D38 A39 N44 T45	Q37-A41 PolarHBondContact O-N 3.5Å; D38-A41 PolarHBondContact O-N 2.95Å; A39-A41 PolarHBondContact O-N 2.86Å; A41-N44 PolarHBondContact O-N 3.45Å; A41-T45 PolarHBondContact O-N 3.41Å; A41-T45 PolarHBondContact O-OG1 2.85Å; A41-T45 VanDerWaalsContact O-OG1 3.08Å
42	R	87.5	Confident	87.4	Confident	105 Å²	105	76 Å²	76	40%	0.396	40%	0.395	S	S	.	.	H	α-helix	trans	-65.7	-43.6	177.2	-170.9	65.1	177.5	-175.8	2.2	112.2	D38 A39 R40 N44 T45 I46 E76 L79	D38-R42 WeakPolarHBondContact O-CB 3.42Å; D38-R42 PolarHBondContact O-N 3.42Å; A39-R42 PolarHBondContact O-N 2.78Å; R40-R42 VanDerWaalsContact C-N 3.32Å; R40-R42 PolarHBondContact O-N 3.34Å; R42-N44 VanDerWaalsContact C-N 3.31Å; R42-N44 PolarHBondContact O-N 2.8Å; R42-T45 PolarHBondContact O-N 3.3Å; R42-I46 HydrophobicContact CG-CD1 3.9Å; R42-I46 WeakPolarHBondContact O-CD1 3.23Å; R42-I46 WeakPolarHBondContact O-CG1 3.36Å; R42-I46 PolarHBondContact O-N 3.29Å; R42-E76 HydrophobicContact CB-CG 3.72Å; R42-E76 VanDerWaalsContact CD-OE1 3.3Å; R42-E76 WeakPolarHBondContact CD-OE1 3.37Å; R42-E76 HydrophobicContact CG-CG 3.78Å; R42-E76 IonicContact NE-OE1 3.64Å; R42-L79 HydrophobicContact CB-CD2 4.01Å; R42-L79 HydrophobicContact CG-CD2 4.23Å
43	L	87.2	Confident	87.4	Confident	12 Å²	12	75.6 Å²	75.6	6%	0.063	39%	0.386	C	S	.	.	H	α-helix	trans	-59.8	-42.4	175.5	-176.9	62.2	0	0	0	111.1	L35 A39 R40 I46 A47 A54 V57 E58 L79	L35-L43 HydrophobicContact CD1-CD2 3.67Å; A39-L43 WeakPolarHBondContact O-CB 3.17Å; A39-L43 PolarHBondContact O-N 3.37Å; R40-L43 PolarHBondContact O-N 3.32Å; L43-I46 CarbonylContact O-C 3.58Å; L43-I46 PolarHBondContact O-N 3Å; L43-A47 WeakPolarHBondContact O-CB 3.39Å; L43-A47 PolarHBondContact O-N 3.46Å; L43-A54 HydrophobicContact CD1-CB 3.99Å; L43-V57 HydrophobicContact CD1-CB 4.39Å; L43-V57 HydrophobicContact CD1-CG1 4.22Å; L43-E58 HydrophobicContact CD1-CG 4.39Å; L43-E58 HydrophobicContact CD2-CG 3.82Å; L43-L79 HydrophobicContact CB-CD2 3.79Å; L43-L79 HydrophobicContact CD1-CD1 4.42Å
44	N	88.2	Confident	87.6	Confident	100 Å²	100	69.4 Å²	69.4	54%	0.535	36%	0.357	S	S	.	.	H	α-helix	trans	-62.9	-44.6	176.8	-166.4	-18.2	0	0	0	111.5	R40 A41 R42 I46 A47 I48	R40-N44 WeakPolarHBondContact O-CB 3.45Å; R40-N44 PolarHBondContact O-N 3.17Å; A41-N44 PolarHBondContact O-N 3.45Å; R42-N44 VanDerWaalsContact C-N 3.31Å; R42-N44 PolarHBondContact O-N 2.8Å; N44-I46 VanDerWaalsContact C-N 3.3Å; N44-I46 PolarHBondContact O-N 2.86Å; N44-A47 WeakPolarHBondContact O-CB 3.22Å; N44-A47 PolarHBondContact O-N 2.88Å; N44-A47 VanDerWaalsContact O-N 3.11Å; N44-I48 WeakPolarHBondContact O-CG1 3.45Å; N44-I48 PolarHBondContact O-N 3.32Å
45	T	90.3	Very high	87.8	Confident	73 Å²	73	75.3 Å²	75.3	45%	0.448	38%	0.383	S	S	.	.	H	α-helix	trans	-61.9	-39.1	174.7	-56.6	0	0	0	0	111.9	A41 R42 I48 T49	A41-T45 PolarHBondContact O-N 3.41Å; A41-T45 PolarHBondContact O-OG1 2.85Å; A41-T45 VanDerWaalsContact O-OG1 3.08Å; R42-T45 PolarHBondContact O-N 3.3Å; T45-I48 PolarHBondContact O-N 2.86Å; T45-T49 WeakPolarHBondContact O-CG2 3.31Å; T45-T49 PolarHBondContact O-N 2.89Å; T45-T49 PolarHBondContact O-OG1 3.47Å
46	I	87.9	Confident	87.8	Confident	9 Å²	9	78.4 Å²	78.4	5%	0.046	40%	0.398	C	S	.	.	H	α-helix	trans	-67.9	-37.9	174.7	-65.5	158.5	0	0	0	110.7	R42 L43 N44 I48 T49 K50 K53 A54 L83	R42-I46 HydrophobicContact CG-CD1 3.9Å; R42-I46 WeakPolarHBondContact O-CD1 3.23Å; R42-I46 WeakPolarHBondContact O-CG1 3.36Å; R42-I46 PolarHBondContact O-N 3.29Å; L43-I46 CarbonylContact O-C 3.58Å; L43-I46 PolarHBondContact O-N 3Å; N44-I46 VanDerWaalsContact C-N 3.3Å; N44-I46 PolarHBondContact O-N 2.86Å; I46-I48 VanDerWaalsContact C-N 3.25Å; I46-I48 PolarHBondContact O-N 3.44Å; I46-T49 WeakPolarHBondContact CA-OG1 3.12Å; I46-T49 PolarHBondContact O-N 2.81Å; I46-T49 PolarHBondContact O-OG1 3.49Å; I46-K50 CarbonylContact O-C 3.11Å; I46-K50 VanDerWaalsContact O-CA 3.31Å; I46-K50 WeakPolarHBondContact O-CA 3.4Å; I46-K50 PolarHBondContact O-N 3.26Å; I46-K50 VanDerWaalsContact O-O 3.12Å; I46-K53 HydrophobicContact CG2-CB 4.43Å; I46-A54 HydrophobicContact CG2-CB 4.21Å; I46-L83 HydrophobicContact CD1-CD1 4.26Å; I46-L83 HydrophobicContact CD1-CD2 3.52Å; I46-L83 HydrophobicContact CD1-CG 4.41Å; I46-L83 HydrophobicContact CG1-CD2 4.03Å; I46-L83 HydrophobicContact CG2-CD1 3.75Å; I46-L83 HydrophobicContact CG2-CD2 4.26Å
47	A	88.1	Confident	87.6	Confident	36 Å²	36	75.8 Å²	75.8	30%	0.298	38%	0.384	S	S	.	.	H	α-helix	trans	-62.4	-36.2	177.5	0	0	0	0	0	111.7	L43 N44 P51 A54	L43-A47 WeakPolarHBondContact O-CB 3.39Å; L43-A47 PolarHBondContact O-N 3.46Å; N44-A47 WeakPolarHBondContact O-CB 3.22Å; N44-A47 PolarHBondContact O-N 2.88Å; N44-A47 VanDerWaalsContact O-N 3.11Å; A47-P51 VanDerWaalsContact O-CA 3.28Å; A47-P51 WeakPolarHBondContact O-CA 3.35Å; A47-P51 WeakPolarHBondContact O-CB 3.43Å; A47-P51 WeakPolarHBondContact O-CD 3.31Å; A47-A54 VanDerWaalsContact CA-CB 3.44Å; A47-A54 HydrophobicContact CB-CB 3.63Å
48	I	90.9	Very high	87.5	Confident	132 Å²	132	71.3 Å²	71.3	68%	0.677	36%	0.363	S	S	*	.	H	α-helix	trans	-69.7	-45.8	174.9	-62.3	164.2	0	0	0	111.1	N44 T45 I46	N44-I48 WeakPolarHBondContact O-CG1 3.45Å; N44-I48 PolarHBondContact O-N 3.32Å; T45-I48 PolarHBondContact O-N 2.86Å; I46-I48 VanDerWaalsContact C-N 3.25Å; I46-I48 PolarHBondContact O-N 3.44Å
49	T	90.7	Very high	87.2	Confident	96 Å²	96	71.1 Å²	71.1	59%	0.589	36%	0.362	S	S	*	.	H	α-helix	trans	-81.9	-34.3	-174.3	52.7	0	0	0	0	113.7	T45 I46	T45-T49 WeakPolarHBondContact O-CG2 3.31Å; T45-T49 PolarHBondContact O-N 2.89Å; T45-T49 PolarHBondContact O-OG1 3.47Å; I46-T49 WeakPolarHBondContact CA-OG1 3.12Å; I46-T49 PolarHBondContact O-N 2.81Å; I46-T49 PolarHBondContact O-OG1 3.49Å
50	K	86.9	Confident	86.9	Confident	128 Å²	128	74 Å²	74	56%	0.557	38%	0.376	S	S	*	.			trans	-149.1	75.8	-175.5	-67.1	-171.4	179.8	175.9	0	110	I46 E52 K53 A54	I46-K50 CarbonylContact O-C 3.11Å; I46-K50 VanDerWaalsContact O-CA 3.31Å; I46-K50 WeakPolarHBondContact O-CA 3.4Å; I46-K50 PolarHBondContact O-N 3.26Å; I46-K50 VanDerWaalsContact O-O 3.12Å; K50-E52 PolarHBondContact O-N 3.47Å; K50-E52 VanDerWaalsContact O-N 3.15Å; K50-K53 HydrophobicContact CB-CB 4.22Å; K50-K53 HydrophobicContact CB-CG 4.26Å; K50-K53 HydrophobicContact CD-CG 4.41Å; K50-K53 PolarHBondContact O-N 2.89Å; K50-K53 VanDerWaalsContact O-N 3.08Å; K50-A54 PolarHBondContact O-N 3.28Å
51	P	87.1	Confident	86.8	Confident	71 Å²	71	67.2 Å²	67.2	46%	0.461	35%	0.351	S	S	.	.	H	α-helix	trans	-58.7	-32	-177	22.3	-33.7	0	0	0	113	A47 K53 A54 K55	A47-P51 VanDerWaalsContact O-CA 3.28Å; A47-P51 WeakPolarHBondContact O-CA 3.35Å; A47-P51 WeakPolarHBondContact O-CB 3.43Å; A47-P51 WeakPolarHBondContact O-CD 3.31Å; P51-K53 PolarHBondContact O-N 2.79Å; P51-A54 PolarHBondContact O-N 3.44Å; P51-K55 WeakPolarHBondContact O-CB 3.13Å; P51-K55 WeakPolarHBondContact O-CG 3.25Å; P51-K55 PolarHBondContact O-N 2.88Å
52	E	87.5	Confident	86.4	Confident	129 Å²	129	65.2 Å²	65.2	60%	0.603	33%	0.332	S	S	*	.	H	α-helix	trans	-61.1	-44.8	177.6	-165.6	-161.3	99.6	0	0	112	K50 M56	K50-E52 PolarHBondContact O-N 3.47Å; K50-E52 VanDerWaalsContact O-N 3.15Å; E52-M56 HydrophobicContact CG-CE 3.67Å; E52-M56 PolarHBondContact O-N 3.06Å; E52-M56 VanDerWaalsContact O-N 3.14Å; E52-M56 WeakPolarHBondContact OE1-CE 3.46Å
53	K	84.1	Confident	86.1	Confident	28 Å²	28	64.9 Å²	64.9	12%	0.122	34%	0.338	C	S	.	.	H	α-helix	trans	-70.9	-40.9	179.4	-65.5	-65.1	180	-154.3	0	111.3	I46 K50 P51 M56 V57 L83 V86	I46-K53 HydrophobicContact CG2-CB 4.43Å; K50-K53 HydrophobicContact CB-CB 4.22Å; K50-K53 HydrophobicContact CB-CG 4.26Å; K50-K53 HydrophobicContact CD-CG 4.41Å; K50-K53 PolarHBondContact O-N 2.89Å; K50-K53 VanDerWaalsContact O-N 3.08Å; P51-K53 PolarHBondContact O-N 2.79Å; K53-M56 HydrophobicContact CD-CE 4.08Å; K53-M56 PolarHBondContact O-N 3.46Å; K53-V57 VanDerWaalsContact O-CG2 3.25Å; K53-V57 WeakPolarHBondContact O-CG2 3.37Å; K53-V57 PolarHBondContact O-N 3.47Å; K53-L83 HydrophobicContact CB-CD1 3.6Å; K53-L83 HydrophobicContact CG-CD1 4.48Å; K53-V86 HydrophobicContact CD-CG1 3.94Å; K53-V86 PolarHBondContact NZ-O 3.05Å
54	A	86.6	Confident	85.6	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.008	35%	0.345	C	S	.	.	H	α-helix	trans	-58.9	-48.3	174.9	0	0	0	0	0	111.7	L43 I46 A47 K50 P51 M56 V57 E58	L43-A54 HydrophobicContact CD1-CB 3.99Å; I46-A54 HydrophobicContact CG2-CB 4.21Å; A47-A54 VanDerWaalsContact CA-CB 3.44Å; A47-A54 HydrophobicContact CB-CB 3.63Å; K50-A54 PolarHBondContact O-N 3.28Å; P51-A54 PolarHBondContact O-N 3.44Å; A54-M56 VanDerWaalsContact C-N 3.33Å; A54-M56 PolarHBondContact O-N 3.24Å; A54-V57 PolarHBondContact O-N 3.17Å; A54-V57 VanDerWaalsContact O-N 3.12Å; A54-E58 WeakPolarHBondContact O-CG 3.46Å; A54-E58 PolarHBondContact O-N 2.98Å
55	K	86.4	Confident	85.2	Confident	136 Å²	136	62.7 Å²	62.7	59%	0.591	33%	0.328	S	S	*	.	H	α-helix	trans	-58.5	-42	177.5	-76.6	180	178.6	-178.4	0	112.9	P51 E58 N59	P51-K55 WeakPolarHBondContact O-CB 3.13Å; P51-K55 WeakPolarHBondContact O-CG 3.25Å; P51-K55 PolarHBondContact O-N 2.88Å; K55-E58 PolarHBondContact O-N 3.47Å; K55-N59 WeakPolarHBondContact O-CB 3.49Å; K55-N59 PolarHBondContact O-N 2.9Å; K55-N59 PolarHBondContact O-ND2 2.85Å
56	M	85.6	Confident	84.6	Confident	69 Å²	69	65 Å²	65	34%	0.34	33%	0.334	S	S	.	.	H	α-helix	trans	-62.8	-43.8	176.3	-81.2	-172.4	-104.7	0	0	111.7	E52 K53 A54 N59 M60 V86	E52-M56 HydrophobicContact CG-CE 3.67Å; E52-M56 PolarHBondContact O-N 3.06Å; E52-M56 VanDerWaalsContact O-N 3.14Å; E52-M56 WeakPolarHBondContact OE1-CE 3.46Å; K53-M56 HydrophobicContact CD-CE 4.08Å; K53-M56 PolarHBondContact O-N 3.46Å; A54-M56 VanDerWaalsContact C-N 3.33Å; A54-M56 PolarHBondContact O-N 3.24Å; M56-N59 PolarHBondContact O-N 3.41Å; M56-M60 WeakPolarHBondContact O-CB 3.37Å; M56-M60 PolarHBondContact O-N 2.84Å; M56-V86 HydrophobicContact CB-CG1 3.46Å; M56-V86 VanDerWaalsContact CB-CG1 3.46Å; M56-V86 HydrophobicContact CE-CG1 4.24Å; M56-V86 HydrophobicContact CG-CG1 4.11Å; M56-V86 HydrophobicContact SD-CG1 3.49Å; M56-V86 WeakPolarHBondContact SD-CG1 3.34Å
57	V	83.9	Confident	83.8	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.006	35%	0.352	C	S	.	.	H	α-helix	trans	-64.7	-46.4	177.5	174.4	0	0	0	0	110.7	L43 K53 A54 N59 M60 L61 L79 I82 L83 V86	L43-V57 HydrophobicContact CD1-CB 4.39Å; L43-V57 HydrophobicContact CD1-CG1 4.22Å; K53-V57 VanDerWaalsContact O-CG2 3.25Å; K53-V57 WeakPolarHBondContact O-CG2 3.37Å; K53-V57 PolarHBondContact O-N 3.47Å; A54-V57 PolarHBondContact O-N 3.17Å; A54-V57 VanDerWaalsContact O-N 3.12Å; V57-N59 PolarHBondContact O-N 3.44Å; V57-M60 PolarHBondContact O-N 2.81Å; V57-L61 HydrophobicContact CG1-CD1 3.64Å; V57-L61 HydrophobicContact CG1-CG 4.29Å; V57-L61 VanDerWaalsContact O-CB 3.31Å; V57-L61 WeakPolarHBondContact O-CB 3.2Å; V57-L61 WeakPolarHBondContact O-CD1 3.25Å; V57-L61 WeakPolarHBondContact O-CG 3.35Å; V57-L61 PolarHBondContact O-N 3.03Å; V57-L79 HydrophobicContact CG1-CD1 3.43Å; V57-L79 VanDerWaalsContact CG1-CD1 3.43Å; V57-I82 HydrophobicContact CG1-CG2 4.18Å; V57-I82 HydrophobicContact CG2-CG2 4.15Å; V57-L83 HydrophobicContact CG2-CD1 3.88Å; V57-V86 HydrophobicContact CG2-CB 4.47Å; V57-V86 HydrophobicContact CG2-CG2 4.14Å
58	E	84.6	Confident	83	Confident	64 Å²	64	69.3 Å²	69.3	30%	0.299	37%	0.37	S	S	.	.	H	α-helix	trans	-57.3	-47.9	174.7	-74.4	-179	110.3	0	0	112.2	L31 L43 A54 K55 M60 L61 I62	L31-E58 HydrophobicContact CD1-CG 4.49Å; L31-E58 HydrophobicContact CD2-CG 4.46Å; L43-E58 HydrophobicContact CD1-CG 4.39Å; L43-E58 HydrophobicContact CD2-CG 3.82Å; A54-E58 WeakPolarHBondContact O-CG 3.46Å; A54-E58 PolarHBondContact O-N 2.98Å; K55-E58 PolarHBondContact O-N 3.47Å; E58-M60 VanDerWaalsContact C-N 3.33Å; E58-M60 PolarHBondContact O-N 2.95Å; E58-L61 WeakPolarHBondContact O-CB 3.37Å; E58-L61 PolarHBondContact O-N 3.43Å; E58-I62 WeakPolarHBondContact O-CB 3.4Å; E58-I62 WeakPolarHBondContact O-CD1 3.21Å; E58-I62 WeakPolarHBondContact O-CG1 3.44Å; E58-I62 PolarHBondContact O-N 3.47Å
59	N	84.6	Confident	81.7	Confident	105 Å²	105	70.7 Å²	70.7	56%	0.561	37%	0.367	S	S	*	.	H	α-helix	trans	-62.5	-41.1	178.4	-79.9	-20.3	0	0	0	111.9	K55 M56 V57 N63	K55-N59 WeakPolarHBondContact O-CB 3.49Å; K55-N59 PolarHBondContact O-N 2.9Å; K55-N59 PolarHBondContact O-ND2 2.85Å; M56-N59 PolarHBondContact O-N 3.41Å; V57-N59 PolarHBondContact O-N 3.44Å; N59-N63 VanDerWaalsContact O-CB 3.24Å; N59-N63 WeakPolarHBondContact O-CB 3.36Å; N59-N63 PolarHBondContact O-N 3.31Å
60	M	81.7	Confident	80.5	Confident	60 Å²	60	68.1 Å²	68.1	30%	0.296	35%	0.349	S	S	.	.	H	α-helix	trans	-63.7	-44.1	176.9	-166.5	-177.6	174.6	0	0	111	M56 V57 E58 N63 M64 I82 V86	M56-M60 WeakPolarHBondContact O-CB 3.37Å; M56-M60 PolarHBondContact O-N 2.84Å; V57-M60 PolarHBondContact O-N 2.81Å; E58-M60 VanDerWaalsContact C-N 3.33Å; E58-M60 PolarHBondContact O-N 2.95Å; M60-N63 PolarHBondContact O-N 3.06Å; M60-M64 HydrophobicContact CE-CE 4.46Å; M60-M64 HydrophobicContact CG-CE 4.07Å; M60-M64 VanDerWaalsContact O-CG 3.3Å; M60-M64 WeakPolarHBondContact O-CG 3.44Å; M60-M64 PolarHBondContact O-N 3.38Å; M60-I82 HydrophobicContact SD-CG2 3.87Å; M60-V86 HydrophobicContact SD-CG2 4.5Å
61	L	82.8	Confident	79.5	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-62.4	-51.5	176.6	-74.6	168.2	0	0	0	112	L31 I34 L35 V57 E58 N63 M64 A65 L70 L74 L79 I82	L31-L61 HydrophobicContact CD2-CB 3.95Å; L31-L61 HydrophobicContact CD2-CD1 4.03Å; I34-L61 HydrophobicContact CD1-CB 3.67Å; I34-L61 HydrophobicContact CD1-CD2 3.94Å; I34-L61 HydrophobicContact CD1-CG 4.33Å; I34-L61 HydrophobicContact CG1-CD2 4.36Å; L35-L61 HydrophobicContact CD1-CD1 4.09Å; L35-L61 HydrophobicContact CD2-CD1 3.89Å; L35-L61 HydrophobicContact CD2-CD2 4.49Å; L35-L61 HydrophobicContact CG-CD1 4.25Å; V57-L61 HydrophobicContact CG1-CD1 3.64Å; V57-L61 HydrophobicContact CG1-CG 4.29Å; V57-L61 VanDerWaalsContact O-CB 3.31Å; V57-L61 WeakPolarHBondContact O-CB 3.2Å; V57-L61 WeakPolarHBondContact O-CD1 3.25Å; V57-L61 WeakPolarHBondContact O-CG 3.35Å; V57-L61 PolarHBondContact O-N 3.03Å; E58-L61 WeakPolarHBondContact O-CB 3.37Å; E58-L61 PolarHBondContact O-N 3.43Å; L61-N63 VanDerWaalsContact C-N 3.3Å; L61-N63 PolarHBondContact O-N 2.85Å; L61-M64 HydrophobicContact CD2-CE 4.2Å; L61-M64 PolarHBondContact O-N 3.08Å; L61-A65 WeakPolarHBondContact O-CB 3.39Å; L61-A65 PolarHBondContact O-N 3.27Å; L61-L70 WeakPolarHBondContact O-CD1 3.17Å; L61-L74 HydrophobicContact CD2-CD1 3.06Å; L61-L79 HydrophobicContact CD1-CD1 4.37Å; L61-I82 HydrophobicContact CD2-CD1 4.48Å
62	I	81.9	Confident	78.7	Confident	15 Å²	15	66.9 Å²	66.9	8%	0.077	37%	0.365	C	S	.	.	H	α-helix	trans	-58.7	-44.2	177.9	-69.1	163.2	0	0	0	110.3	R27 L31 E58 M64 A65 Q66	R27-I62 HydrophobicContact CB-CD1 4.1Å; R27-I62 HydrophobicContact CB-CG1 4.46Å; R27-I62 HydrophobicContact CG-CD1 3.95Å; R27-I62 HydrophobicContact CG-CG1 4.37Å; R27-I62 HydrophobicContact CG-CG2 4.19Å; L31-I62 HydrophobicContact CD1-CD1 4.3Å; L31-I62 HydrophobicContact CD1-CG1 4.4Å; L31-I62 HydrophobicContact CD2-CG1 4.33Å; L31-I62 HydrophobicContact CG-CG1 4.24Å; E58-I62 WeakPolarHBondContact O-CB 3.4Å; E58-I62 WeakPolarHBondContact O-CD1 3.21Å; E58-I62 WeakPolarHBondContact O-CG1 3.44Å; E58-I62 PolarHBondContact O-N 3.47Å; I62-M64 PolarHBondContact O-N 3.03Å; I62-A65 WeakPolarHBondContact O-CB 3.41Å; I62-A65 PolarHBondContact O-N 2.96Å; I62-Q66 HydrophobicContact CG2-CG 4.1Å; I62-Q66 WeakPolarHBondContact O-CB 3.45Å; I62-Q66 VanDerWaalsContact O-CG 3.3Å; I62-Q66 WeakPolarHBondContact O-CG 3.33Å; I62-Q66 PolarHBondContact O-N 3.3Å
63	N	80.8	Confident	78.3	Confident	98 Å²	98	66 Å²	66	52%	0.524	36%	0.359	S	S	.	.	H	α-helix	trans	-62.9	-43.7	179.2	-169.3	-90.6	0	0	0	111.9	N59 M60 L61 A65 T67	N59-N63 VanDerWaalsContact O-CB 3.24Å; N59-N63 WeakPolarHBondContact O-CB 3.36Å; N59-N63 PolarHBondContact O-N 3.31Å; M60-N63 PolarHBondContact O-N 3.06Å; L61-N63 VanDerWaalsContact C-N 3.3Å; L61-N63 PolarHBondContact O-N 2.85Å; N63-A65 VanDerWaalsContact C-N 3.29Å; N63-A65 PolarHBondContact O-N 3.36Å; N63-T67 WeakPolarHBondContact O-CB 3.38Å; N63-T67 VanDerWaalsContact O-CG2 3.27Å; N63-T67 WeakPolarHBondContact O-CG2 3.44Å; N63-T67 PolarHBondContact O-N 2.93Å; N63-T67 VanDerWaalsContact O-N 3.09Å; N63-T67 PolarHBondContact O-OG1 2.88Å
64	M	77.9	Confident	78.3	Confident	44 Å²	44	65.6 Å²	65.6	22%	0.217	36%	0.359	C	S	.	.	H	α-helix	trans	-64.1	-35	175.1	-69.4	-172.1	-71.2	0	0	111.9	M60 L61 I62 T67 G68 R69 L70	M60-M64 HydrophobicContact CE-CE 4.46Å; M60-M64 HydrophobicContact CG-CE 4.07Å; M60-M64 VanDerWaalsContact O-CG 3.3Å; M60-M64 WeakPolarHBondContact O-CG 3.44Å; M60-M64 PolarHBondContact O-N 3.38Å; L61-M64 HydrophobicContact CD2-CE 4.2Å; L61-M64 PolarHBondContact O-N 3.08Å; I62-M64 PolarHBondContact O-N 3.03Å; M64-T67 WeakPolarHBondContact CA-OG1 3.21Å; M64-T67 PolarHBondContact O-OG1 3.48Å; M64-G68 PolarHBondContact O-N 3.37Å; M64-R69 PolarHBondContact O-N 2.76Å; M64-L70 HydrophobicContact CB-CD1 4.02Å; M64-L70 HydrophobicContact CB-CD2 3.37Å; M64-L70 HydrophobicContact CB-CG 3.48Å; M64-L70 VanDerWaalsContact CB-CG 3.48Å; M64-L70 HydrophobicContact CE-CD2 3.82Å; M64-L70 HydrophobicContact CG-CD2 4.25Å; M64-L70 HydrophobicContact SD-CD2 3.96Å
65	A	79.5	Confident	78.3	Confident	21 Å²	21	69.3 Å²	69.3	17%	0.174	38%	0.378	C	S	.	.	H	α-helix	trans	-72.5	-46.5	179.1	0	0	0	0	0	113.1	I30 I34 L61 I62 N63 T67 G68 L70	I30-A65 HydrophobicContact CB-CB 4.1Å; I30-A65 HydrophobicContact CD1-CB 4.04Å; I30-A65 HydrophobicContact CG1-CB 4.02Å; I30-A65 HydrophobicContact CG2-CB 3.04Å; I34-A65 HydrophobicContact CD1-CB 4.38Å; L61-A65 WeakPolarHBondContact O-CB 3.39Å; L61-A65 PolarHBondContact O-N 3.27Å; I62-A65 WeakPolarHBondContact O-CB 3.41Å; I62-A65 PolarHBondContact O-N 2.96Å; N63-A65 VanDerWaalsContact C-N 3.29Å; N63-A65 PolarHBondContact O-N 3.36Å; A65-T67 PolarHBondContact O-N 3.23Å; A65-G68 PolarHBondContact O-N 3.45Å; A65-L70 HydrophobicContact CB-CD1 3.37Å; A65-L70 HydrophobicContact CB-CG 4.39Å; A65-L70 VanDerWaalsContact N-CD1 3.26Å
66	Q	76.3	Confident	78.2	Confident	121 Å²	121	65.5 Å²	65.5	57%	0.565	36%	0.362	S	S	*	.	H	α-helix	trans	-61.2	-32.2	177.2	-74.4	-177.7	-38.3	0	0	111.3	I30 I62 G68	I30-Q66 HydrophobicContact CD1-CG 4.18Å; I62-Q66 HydrophobicContact CG2-CG 4.1Å; I62-Q66 WeakPolarHBondContact O-CB 3.45Å; I62-Q66 VanDerWaalsContact O-CG 3.3Å; I62-Q66 WeakPolarHBondContact O-CG 3.33Å; I62-Q66 PolarHBondContact O-N 3.3Å; Q66-G68 VanDerWaalsContact C-N 3.27Å
67	T	72.4	Confident	78.3	Confident	70 Å²	70	69.3 Å²	69.3	43%	0.429	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-2.2	174.9	55.4	0	0	0	0	113.6	N63 M64 A65 R69	N63-T67 WeakPolarHBondContact O-CB 3.38Å; N63-T67 VanDerWaalsContact O-CG2 3.27Å; N63-T67 WeakPolarHBondContact O-CG2 3.44Å; N63-T67 PolarHBondContact O-N 2.93Å; N63-T67 VanDerWaalsContact O-N 3.09Å; N63-T67 PolarHBondContact O-OG1 2.88Å; M64-T67 WeakPolarHBondContact CA-OG1 3.21Å; M64-T67 PolarHBondContact O-OG1 3.48Å; A65-T67 PolarHBondContact O-N 3.23Å; T67-R69 PolarHBondContact O-N 3.26Å; T67-R69 WeakPolarHBondContact OG1-CG 3.49Å
68	G	70.9	Confident	78.4	Confident	66 Å²	66	73.3 Å²	73.3	68%	0.68	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	19.1	-177.4	0	0	0	0	0	113.8	M64 A65 Q66	M64-G68 PolarHBondContact O-N 3.37Å; A65-G68 PolarHBondContact O-N 3.45Å; Q66-G68 VanDerWaalsContact C-N 3.27Å
69	R	64.5	Low	78.4	Confident	162 Å²	162	70.3 Å²	70.3	61%	0.611	38%	0.384	S	S	*	.			trans	-90.9	2	-176.6	-66.6	-177.6	179.7	-162.8	0.1	113.5	M64 T67	M64-R69 PolarHBondContact O-N 2.76Å; T67-R69 PolarHBondContact O-N 3.26Å; T67-R69 WeakPolarHBondContact OG1-CG 3.49Å
70	L	65.1	Low	78.4	Confident	41 Å²	41	69 Å²	69	22%	0.215	37%	0.373	C	S	.	.			trans	-87.7	127.9	179.5	-70.9	175.3	0	0	0	111.3	I34 L61 M64 A65	I34-L70 HydrophobicContact CB-CD1 3.7Å; I34-L70 HydrophobicContact CD1-CD1 3.37Å; I34-L70 HydrophobicContact CG1-CD1 4.06Å; I34-L70 HydrophobicContact CG2-CB 4.07Å; I34-L70 HydrophobicContact CG2-CD1 3.3Å; I34-L70 HydrophobicContact CG2-CG 4.31Å; L61-L70 WeakPolarHBondContact O-CD1 3.17Å; M64-L70 HydrophobicContact CB-CD1 4.02Å; M64-L70 HydrophobicContact CB-CD2 3.37Å; M64-L70 HydrophobicContact CB-CG 3.48Å; M64-L70 VanDerWaalsContact CB-CG 3.48Å; M64-L70 HydrophobicContact CE-CD2 3.82Å; M64-L70 HydrophobicContact CG-CD2 4.25Å; M64-L70 HydrophobicContact SD-CD2 3.96Å; A65-L70 HydrophobicContact CB-CD1 3.37Å; A65-L70 HydrophobicContact CB-CG 4.39Å; A65-L70 VanDerWaalsContact N-CD1 3.26Å
71	G	65.6	Low	78.6	Confident	59 Å²	59	72.3 Å²	72.3	61%	0.608	39%	0.388	S	S	*	.			trans	-85.9	-142.3	173.4	0	0	0	0	0	112
72	P	69.5	Low	78.6	Confident	115 Å²	115	73.2 Å²	73.2	75%	0.747	39%	0.393	S	S	*	.	S	Bend	trans	-60.9	159.2	-179.9	27.5	-34.3	0	0	0	111.8	L74	P72-L74 PolarHBondContact O-N 2.81Å
73	K	80.3	Confident	78.6	Confident	110 Å²	110	74.3 Å²	74.3	48%	0.478	40%	0.399	S	S	.	.			trans	-44.5	131.9	176.9	-73.6	174	178.9	-178	0	111.6	Q33	Q33-K73 WeakPolarHBondContact O-CG 3.38Å
74	L	83	Confident	78.8	Confident	20 Å²	20	74.6 Å²	74.6	11%	0.105	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-78.4	120.7	174.6	-65.6	160.4	0	0	0	109.1	I34 L35 D36 A39 L61 P72 Q78 I82	I34-L74 WeakPolarHBondContact O-CA 3.4Å; I34-L74 WeakPolarHBondContact O-CB 3.4Å; I34-L74 WeakPolarHBondContact O-CG 3.11Å; I34-L74 PolarHBondContact O-N 3.4Å; L35-L74 HydrophobicContact CD2-CB 4.19Å; D36-L74 PolarHBondContact N-O 2.86Å; A39-L74 WeakPolarHBondContact CB-O 3.4Å; L61-L74 HydrophobicContact CD2-CD1 3.06Å; P72-L74 PolarHBondContact O-N 2.81Å; L74-Q78 VanDerWaalsContact CA-OE1 3.28Å; L74-Q78 HydrophobicContact CB-CB 4.29Å; L74-Q78 HydrophobicContact CD2-CB 3.68Å; L74-Q78 HydrophobicContact CD2-CG 4.27Å; L74-I82 HydrophobicContact CD1-CD1 4.08Å; L74-I82 HydrophobicContact CD2-CD1 4.25Å
75	N	87	Confident	78.9	Confident	78 Å²	78	77.1 Å²	77.1	42%	0.417	41%	0.411	S	S	.	.			trans	-82	171.7	175.6	-66.6	-24.8	0	0	0	111.2	E77 Q78 L79	N75-E77 PolarHBondContact O-N 3.29Å; N75-Q78 VanDerWaalsContact N-OE1 3.14Å; N75-Q78 PolarHBondContact O-N 2.96Å; N75-Q78 VanDerWaalsContact O-N 3.08Å; N75-L79 PolarHBondContact O-N 3.17Å
76	E	85.2	Confident	78.8	Confident	56 Å²	56	77.1 Å²	77.1	26%	0.262	41%	0.409	S	S	.	.	H	α-helix	trans	-53	-39.8	178.8	-161.1	-151	172.6	0	0	112.3	D38 R42 L79 K80	D38-E76 HydrophobicContact CB-CB 4.12Å; R42-E76 HydrophobicContact CB-CG 3.72Å; R42-E76 VanDerWaalsContact CD-OE1 3.3Å; R42-E76 WeakPolarHBondContact CD-OE1 3.37Å; R42-E76 HydrophobicContact CG-CG 3.78Å; R42-E76 IonicContact NE-OE1 3.64Å; E76-L79 PolarHBondContact O-N 2.8Å; E76-K80 VanDerWaalsContact O-CG 3.3Å; E76-K80 WeakPolarHBondContact O-CG 3.46Å; E76-K80 PolarHBondContact O-N 3.49Å; E76-K80 WeakPolarHBondContact OE1-CE 3.43Å; E76-K80 IonicContact OE1-NZ 2.72Å; E76-K80 PolarHBondContact OE1-NZ 3.03Å; E76-K80 IonicContact OE2-NZ 2.86Å; E76-K80 PolarHBondContact OE2-NZ 2.91Å
77	E	88.1	Confident	78.7	Confident	150 Å²	150	74.4 Å²	74.4	70%	0.701	40%	0.403	S	S	*	.	H	α-helix	trans	-63.4	-45.5	177.8	-66	-164.3	97.1	0	0	112.4	N75 L79 K80 Q81	N75-E77 PolarHBondContact O-N 3.29Å; E77-L79 VanDerWaalsContact C-N 3.33Å; E77-L79 PolarHBondContact O-N 3.41Å; E77-K80 WeakPolarHBondContact O-CB 3.31Å; E77-K80 PolarHBondContact O-N 3.25Å; E77-Q81 WeakPolarHBondContact O-CG 3.36Å; E77-Q81 PolarHBondContact O-N 3.12Å
78	Q	84.1	Confident	78.6	Confident	84 Å²	84	75.6 Å²	75.6	39%	0.393	41%	0.414	S	S	.	.	H	α-helix	trans	-66.5	-39.1	178.1	-67.5	174.9	-65.7	0	0	110.9	L74 N75 K80 Q81 I82	L74-Q78 VanDerWaalsContact CA-OE1 3.28Å; L74-Q78 HydrophobicContact CB-CB 4.29Å; L74-Q78 HydrophobicContact CD2-CB 3.68Å; L74-Q78 HydrophobicContact CD2-CG 4.27Å; N75-Q78 VanDerWaalsContact N-OE1 3.14Å; N75-Q78 PolarHBondContact O-N 2.96Å; N75-Q78 VanDerWaalsContact O-N 3.08Å; Q78-K80 VanDerWaalsContact C-N 3.32Å; Q78-K80 PolarHBondContact O-N 2.95Å; Q78-Q81 PolarHBondContact O-N 3.43Å; Q78-I82 VanDerWaalsContact O-CG1 3.29Å; Q78-I82 WeakPolarHBondContact O-CG1 3.43Å; Q78-I82 PolarHBondContact O-N 3.14Å
79	L	85.5	Confident	78.1	Confident	1 Å²	1	74.4 Å²	74.4	1%	0.005	40%	0.402	C	S	.	.	H	α-helix	trans	-60.2	-42.8	173.4	-174.8	71.9	0	0	0	111.7	L35 A39 R42 L43 V57 L61 N75 E76 E77 I82 L83	L35-L79 HydrophobicContact CD2-CD1 3.91Å; A39-L79 HydrophobicContact CB-CB 4.33Å; A39-L79 HydrophobicContact CB-CD2 4.22Å; A39-L79 WeakPolarHBondContact O-CD2 3.49Å; R42-L79 HydrophobicContact CB-CD2 4.01Å; R42-L79 HydrophobicContact CG-CD2 4.23Å; L43-L79 HydrophobicContact CB-CD2 3.79Å; L43-L79 HydrophobicContact CD1-CD1 4.42Å; V57-L79 HydrophobicContact CG1-CD1 3.43Å; V57-L79 VanDerWaalsContact CG1-CD1 3.43Å; L61-L79 HydrophobicContact CD1-CD1 4.37Å; N75-L79 PolarHBondContact O-N 3.17Å; E76-L79 PolarHBondContact O-N 2.8Å; E77-L79 VanDerWaalsContact C-N 3.33Å; E77-L79 PolarHBondContact O-N 3.41Å; L79-I82 PolarHBondContact O-N 3.49Å; L79-L83 VanDerWaalsContact O-CB 3.31Å; L79-L83 WeakPolarHBondContact O-CB 3.43Å; L79-L83 PolarHBondContact O-N 3.43Å
80	K	85.2	Confident	77.6	Confident	78 Å²	78	72.4 Å²	72.4	34%	0.339	41%	0.408	S	S	.	.	H	α-helix	trans	-61.6	-42.2	174.6	-75.1	167.7	-179.8	160.7	0	111.8	E76 E77 Q78 L83 L84	E76-K80 VanDerWaalsContact O-CG 3.3Å; E76-K80 WeakPolarHBondContact O-CG 3.46Å; E76-K80 PolarHBondContact O-N 3.49Å; E76-K80 WeakPolarHBondContact OE1-CE 3.43Å; E76-K80 IonicContact OE1-NZ 2.72Å; E76-K80 PolarHBondContact OE1-NZ 3.03Å; E76-K80 IonicContact OE2-NZ 2.86Å; E76-K80 PolarHBondContact OE2-NZ 2.91Å; E77-K80 WeakPolarHBondContact O-CB 3.31Å; E77-K80 PolarHBondContact O-N 3.25Å; Q78-K80 VanDerWaalsContact C-N 3.32Å; Q78-K80 PolarHBondContact O-N 2.95Å; K80-L83 WeakPolarHBondContact O-CB 3.26Å; K80-L83 PolarHBondContact O-N 2.95Å; K80-L84 WeakPolarHBondContact O-CB 3.42Å; K80-L84 PolarHBondContact O-N 3.35Å
81	Q	85.3	Confident	77	Confident	129 Å²	129	78.5 Å²	78.5	60%	0.603	44%	0.436	S	S	*	.	H	α-helix	trans	-62.4	-46.5	176.4	-69.5	-61.5	-45.5	0	0	111.6	E77 Q78 L83 L84 Q85	E77-Q81 WeakPolarHBondContact O-CG 3.36Å; E77-Q81 PolarHBondContact O-N 3.12Å; Q78-Q81 PolarHBondContact O-N 3.43Å; Q81-L83 VanDerWaalsContact C-N 3.31Å; Q81-L83 PolarHBondContact O-N 3.06Å; Q81-L84 PolarHBondContact O-N 3.18Å; Q81-Q85 WeakPolarHBondContact O-CB 3.28Å; Q81-Q85 PolarHBondContact O-N 3.34Å
82	I	82.3	Confident	76	Confident	19 Å²	19	84.1 Å²	84.1	10%	0.097	44%	0.443	C	S	.	.	H	α-helix	trans	-60.7	-44.3	175.5	-62.7	165	0	0	0	109.7	V57 M60 L61 L74 Q78 L79 L84 Q85 V86	V57-I82 HydrophobicContact CG1-CG2 4.18Å; V57-I82 HydrophobicContact CG2-CG2 4.15Å; M60-I82 HydrophobicContact SD-CG2 3.87Å; L61-I82 HydrophobicContact CD2-CD1 4.48Å; L74-I82 HydrophobicContact CD1-CD1 4.08Å; L74-I82 HydrophobicContact CD2-CD1 4.25Å; Q78-I82 VanDerWaalsContact O-CG1 3.29Å; Q78-I82 WeakPolarHBondContact O-CG1 3.43Å; Q78-I82 PolarHBondContact O-N 3.14Å; L79-I82 PolarHBondContact O-N 3.49Å; I82-L84 VanDerWaalsContact C-N 3.33Å; I82-L84 PolarHBondContact O-N 3.37Å; I82-Q85 PolarHBondContact O-N 3.44Å; I82-V86 HydrophobicContact CG2-CG2 4.15Å; I82-V86 WeakPolarHBondContact O-CB 3.45Å; I82-V86 WeakPolarHBondContact O-CG2 3.39Å; I82-V86 PolarHBondContact O-N 2.91Å
83	L	83	Confident	74.7	Confident	38 Å²	38	84.3 Å²	84.3	20%	0.199	45%	0.448	C	S	.	.	H	α-helix	trans	-60.1	-42.7	177.7	-171.3	75.6	0	0	0	112.3	I46 K53 V57 L79 K80 Q81 V86 S87	I46-L83 HydrophobicContact CD1-CD1 4.26Å; I46-L83 HydrophobicContact CD1-CD2 3.52Å; I46-L83 HydrophobicContact CD1-CG 4.41Å; I46-L83 HydrophobicContact CG1-CD2 4.03Å; I46-L83 HydrophobicContact CG2-CD1 3.75Å; I46-L83 HydrophobicContact CG2-CD2 4.26Å; K53-L83 HydrophobicContact CB-CD1 3.6Å; K53-L83 HydrophobicContact CG-CD1 4.48Å; V57-L83 HydrophobicContact CG2-CD1 3.88Å; L79-L83 VanDerWaalsContact O-CB 3.31Å; L79-L83 WeakPolarHBondContact O-CB 3.43Å; L79-L83 PolarHBondContact O-N 3.43Å; K80-L83 WeakPolarHBondContact O-CB 3.26Å; K80-L83 PolarHBondContact O-N 2.95Å; Q81-L83 VanDerWaalsContact C-N 3.31Å; Q81-L83 PolarHBondContact O-N 3.06Å; L83-V86 PolarHBondContact O-N 3.2Å; L83-S87 WeakPolarHBondContact O-CB 3.44Å; L83-S87 PolarHBondContact O-N 3.3Å
84	L	83.9	Confident	73.2	Confident	104 Å²	104	83.5 Å²	83.5	55%	0.545	45%	0.452	S	S	.	.	H	α-helix	trans	-63.4	-46.1	176.8	-175.1	65.3	0	0	0	110.3	K80 Q81 I82 V86 S87 S88	K80-L84 WeakPolarHBondContact O-CB 3.42Å; K80-L84 PolarHBondContact O-N 3.35Å; Q81-L84 PolarHBondContact O-N 3.18Å; I82-L84 VanDerWaalsContact C-N 3.33Å; I82-L84 PolarHBondContact O-N 3.37Å; L84-V86 PolarHBondContact O-N 3.11Å; L84-S87 CarbonylContact O-C 3.59Å; L84-S87 WeakPolarHBondContact O-CA 3.31Å; L84-S87 WeakPolarHBondContact O-CB 3.37Å; L84-S87 PolarHBondContact O-N 3.06Å; L84-S88 PolarHBondContact O-N 2.95Å; L84-S88 PolarHBondContact O-OG 2.93Å
85	Q	79.8	Confident	71.5	Confident	98 Å²	98	87 Å²	87	46%	0.458	47%	0.474	S	S	.	.	H	α-helix	trans	-62	-41.8	177.1	-171.7	176.6	-11	0	0	112.2	Q81 I82 S87 S88 G89	Q81-Q85 WeakPolarHBondContact O-CB 3.28Å; Q81-Q85 PolarHBondContact O-N 3.34Å; I82-Q85 PolarHBondContact O-N 3.44Å; Q85-S87 VanDerWaalsContact C-N 3.29Å; Q85-S87 PolarHBondContact O-N 3.19Å; Q85-S88 CarbonylContact O-C 3.55Å; Q85-S88 PolarHBondContact O-N 3.1Å; Q85-G89 VanDerWaalsContact O-CA 3.25Å; Q85-G89 WeakPolarHBondContact O-CA 3.48Å; Q85-G89 PolarHBondContact O-N 3.3Å
86	V	77.9	Confident	70	Confident	20 Å²	20	86 Å²	86	12%	0.121	47%	0.47	C	S	.	.	H	α-helix	trans	-66.8	-30.6	173.5	170.4	0	0	0	0	111.4	K53 M56 V57 M60 I82 L83 L84	K53-V86 HydrophobicContact CD-CG1 3.94Å; K53-V86 PolarHBondContact NZ-O 3.05Å; M56-V86 HydrophobicContact CB-CG1 3.46Å; M56-V86 VanDerWaalsContact CB-CG1 3.46Å; M56-V86 HydrophobicContact CE-CG1 4.24Å; M56-V86 HydrophobicContact CG-CG1 4.11Å; M56-V86 HydrophobicContact SD-CG1 3.49Å; M56-V86 WeakPolarHBondContact SD-CG1 3.34Å; V57-V86 HydrophobicContact CG2-CB 4.47Å; V57-V86 HydrophobicContact CG2-CG2 4.14Å; M60-V86 HydrophobicContact SD-CG2 4.5Å; I82-V86 HydrophobicContact CG2-CG2 4.15Å; I82-V86 WeakPolarHBondContact O-CB 3.45Å; I82-V86 WeakPolarHBondContact O-CG2 3.39Å; I82-V86 PolarHBondContact O-N 2.91Å; L83-V86 PolarHBondContact O-N 3.2Å; L84-V86 PolarHBondContact O-N 3.11Å
87	S	74.4	Confident	68.3	Low	64 Å²	64	90.8 Å²	90.8	45%	0.448	49%	0.491	S	S	.	.	H	α-helix	trans	-71.6	-37.3	173.4	-159.4	0	0	0	0	113	L83 L84 Q85	L83-S87 WeakPolarHBondContact O-CB 3.44Å; L83-S87 PolarHBondContact O-N 3.3Å; L84-S87 CarbonylContact O-C 3.59Å; L84-S87 WeakPolarHBondContact O-CA 3.31Å; L84-S87 WeakPolarHBondContact O-CB 3.37Å; L84-S87 PolarHBondContact O-N 3.06Å; Q85-S87 VanDerWaalsContact C-N 3.29Å; Q85-S87 PolarHBondContact O-N 3.19Å
88	S	71.2	Confident	66.5	Low	95 Å²	95	91.8 Å²	91.8	66%	0.664	49%	0.493	S	S	*	.	H	α-helix	trans	-85.6	-12.6	178.6	-58.1	0	0	0	0	113.7	L84 Q85 T90	L84-S88 PolarHBondContact O-N 2.95Å; L84-S88 PolarHBondContact O-OG 2.93Å; Q85-S88 CarbonylContact O-C 3.55Å; Q85-S88 PolarHBondContact O-N 3.1Å; S88-T90 PolarHBondContact O-N 3.43Å
89	G	59.5	Low	64.9	Low	42 Å²	42	94 Å²	94	43%	0.433	51%	0.508	S	S	.	.			trans	-88.1	7	-158.4	0	0	0	0	0	118.3	Q85 Q91	Q85-G89 VanDerWaalsContact O-CA 3.25Å; Q85-G89 WeakPolarHBondContact O-CA 3.48Å; Q85-G89 PolarHBondContact O-N 3.3Å; G89-Q91 PolarHBondContact O-N 3.37Å
90	T	54.4	Low	63.4	Low	120 Å²	120	105.3 Å²	105.3	74%	0.736	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	2.3	-179.1	-54.6	0	0	0	0	114.5	S88	S88-T90 PolarHBondContact O-N 3.43Å
91	Q	52.7	Low	61.9	Low	169 Å²	169	113 Å²	113	79%	0.79	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.1	-13.6	-171.9	-69.7	-87.8	-96.7	0	0	117.4	G89	G89-Q91 PolarHBondContact O-N 3.37Å
92	K	43.4	Very low	60.4	Low	176 Å²	176	117 Å²	117	77%	0.765	59%	0.587	S	S	*	*			trans	-143.2	98.7	-173.8	-63.3	-170.5	-177.5	-172.2	0	112.9	T94	K92-T94 PolarHBondContact O-N 3.08Å; K92-T94 PolarHBondContact O-OG1 3.15Å
93	S	43	Very low	59	Low	120 Å²	120	121 Å²	121	84%	0.839	62%	0.623	S	S	*	*			trans	-30.7	95	158.5	-169.9	0	0	0	0	110.9
94	T	48.1	Very low	57.7	Low	93 Å²	93	123.1 Å²	123.1	57%	0.571	65%	0.645	S	S	*	*			trans	-110.3	77.8	167.7	-55.3	0	0	0	0	105.1	K92 V96	K92-T94 PolarHBondContact O-N 3.08Å; K92-T94 PolarHBondContact O-OG1 3.15Å; T94-V96 HydrophobicContact CG2-CG2 4.32Å; T94-V96 PolarHBondContact O-N 2.7Å
95	T	48.2	Very low	56.1	Low	92 Å²	92	124 Å²	124	56%	0.564	65%	0.649	S	S	*	*			trans	-43.8	101.6	148.9	-64	0	0	0	0	106	K97	T95-K97 HydrophobicContact CG2-CG 3.53Å; T95-K97 PolarHBondContact O-N 3.27Å
96	V	54.2	Low	54.8	Low	57 Å²	57	126 Å²	126	35%	0.345	66%	0.663	S	S	.	*			trans	-70.4	86.3	169.1	-175.8	0	0	0	0	105.5	T94 F98	T94-V96 HydrophobicContact CG2-CG2 4.32Å; T94-V96 PolarHBondContact O-N 2.7Å; V96-F98 HydrophobicContact CG1-CD2 3.26Å; V96-F98 HydrophobicContact CG1-CE2 3.12Å; V96-F98 HydrophobicContact CG1-CG 4.22Å; V96-F98 HydrophobicContact CG1-CZ 4Å; V96-F98 PolarHBondContact O-N 3.49Å
97	K	49.2	Very low	53.4	Low	158 Å²	158	129.3 Å²	129.3	69%	0.687	69%	0.687	S	S	*	*			trans	-68.9	81	170.4	-65.7	-176.5	-179.6	177.8	0	107.3	T95 D99	T95-K97 HydrophobicContact CG2-CG 3.53Å; T95-K97 PolarHBondContact O-N 3.27Å; K97-D99 PolarHBondContact O-N 3.32Å
98	F	50.6	Low	52.3	Low	170 Å²	170	134.9 Å²	134.9	75%	0.746	71%	0.712	S	S	*	*			trans	-84.5	77.7	155.6	-74.3	-63.7	0	0	0	107.6	V96 R100	V96-F98 HydrophobicContact CG1-CD2 3.26Å; V96-F98 HydrophobicContact CG1-CE2 3.12Å; V96-F98 HydrophobicContact CG1-CG 4.22Å; V96-F98 HydrophobicContact CG1-CZ 4Å; V96-F98 PolarHBondContact O-N 3.49Å; F98-R100 PolarHBondContact O-N 3.27Å
99	D	50.3	Low	51.4	Low	132 Å²	132	138.3 Å²	138.3	71%	0.706	72%	0.718	S	S	*	*			trans	-68.1	100.5	162	-87.8	-74.8	0	0	0	108.6	K97	K97-D99 PolarHBondContact O-N 3.32Å
100	R	54	Low	51.7	Low	237 Å²	237	144.5 Å²	144.5	89%	0.894	74%	0.741	S	S	*	*			trans	-175.2	119.9	150.6	-110.3	164.3	-132.7	-156.3	-0.7	111.2	F98	F98-R100 PolarHBondContact O-N 3.27Å
101	R	55	Low	52.4	Low	241 Å²	241	143.5 Å²	143.5	91%	0.909	74%	0.739	S	S	*	*			trans	89.5	52.2	167.2	-65.1	-170.8	-81.8	-174.2	-9.3	119.5
102	R	52.7	Low	52.7	Low	212 Å²	212	147 Å²	147	80%	0.8	76%	0.762	S	S	*	*			trans	-121.6	63.2	143.9	-166	161	152.8	176.5	-8.9	110
103	A	54.1	Low	53.1	Low	104 Å²	104	145.6 Å²	145.6	86%	0.86	76%	0.762	S	S	*	*			trans	-108.6	38.4	163.4	0	0	0	0	0	109.3
104	A	54.5	Low	53.7	Low	81 Å²	81	146.9 Å²	146.9	67%	0.669	76%	0.758	S	S	*	*			trans	-151.7	43.4	-174.6	0	0	0	0	0	113
105	I	51.3	Low	54	Low	122 Å²	122	149.9 Å²	149.9	63%	0.626	77%	0.768	S	S	*	*			trans	-122.5	104.3	145.9	55.1	166.4	0	0	0	103.5
106	D	52.2	Low	54.3	Low	141 Å²	141	153.4 Å²	153.4	75%	0.754	78%	0.78	S	S	*	*			cis	44.4	99.1	30.9	-124.6	94.9	0	0	0	110.4
107	S	49.1	Very low	54.3	Low	90 Å²	90	159.4 Å²	159.4	63%	0.629	81%	0.807	S	S	*	*			cis	-148.9	126.6	28.7	-45.7	0	0	0	0	109.9	E109	S107-E109 PolarHBondContact O-N 3.31Å; S107-E109 VanDerWaalsContact O-N 3.17Å
108	D	51.5	Low	54.7	Low	180 Å²	180	159.5 Å²	159.5	96%	0.963	82%	0.815	S	S	*	*			trans	-59.4	100.8	148.3	-105	-102.9	0	0	0	106.5
109	E	52.4	Low	55	Low	168 Å²	168	158.7 Å²	158.7	79%	0.785	82%	0.82	S	S	*	*			trans	-148.1	64	162.9	-161.8	176.4	94.5	0	0	108.5	S107	S107-E109 PolarHBondContact O-N 3.31Å; S107-E109 VanDerWaalsContact O-N 3.17Å
110	D	65.9	Low	55.3	Low	171 Å²	171	160.8 Å²	160.8	91%	0.914	83%	0.829	S	S	*	*			trans	-101	116	152	-123.5	-61.4	0	0	0	106.2
111	S	69	Low	55.4	Low	100 Å²	100	154.4 Å²	154.4	70%	0.699	82%	0.823	S	S	*	*			trans	-75	153	-167.4	-56.8	0	0	0	0	111.5
112	L	57.6	Low	55.5	Low	243 Å²	243	146.5 Å²	146.5	100%	1.272	82%	0.816	S	S	*	*			trans	-49.4	0	175.6	-148.6	144.9	0	0	0	114

Retrieved 112 of 112 residues in 64.5 ms (Link to these results)

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